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 1y5v_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMX DATA SEQUENCE XXXXTKQSEE GVTFKXXXXX XXHMLSPERS 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 0.000 176.309 176.300 0.014 0.000 0.893 11 R CA 0.000 56.099 56.100 -0.001 0.000 0.921 11 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 12 P HA 0.143 nan 4.420 nan 0.000 0.274 12 P C -0.138 177.210 177.300 0.081 0.000 1.256 12 P CA -0.462 62.668 63.100 0.050 0.000 0.795 12 P CB 0.817 32.549 31.700 0.052 0.000 1.038 13 R N -0.132 120.439 120.500 0.118 0.000 2.096 13 R HA -0.093 4.299 4.340 0.087 0.000 0.240 13 R C -0.241 176.232 176.300 0.288 0.000 1.139 13 R CA 1.302 57.508 56.100 0.176 0.000 0.952 13 R CB -0.152 30.257 30.300 0.182 0.000 0.854 13 R HN 0.536 nan 8.270 nan 0.000 0.436 14 F N -0.557 119.449 119.950 0.093 0.000 2.670 14 F HA 0.283 4.862 4.527 0.087 0.000 0.332 14 F C -1.596 174.270 175.800 0.110 0.000 1.179 14 F CA -0.562 57.506 58.000 0.113 0.000 1.076 14 F CB 1.943 41.026 39.000 0.138 0.000 1.322 14 F HN -0.158 nan 8.300 nan 0.000 0.515 15 S N 6.551 122.059 115.700 -0.319 0.000 2.736 15 S HA 0.574 5.096 4.470 0.087 0.000 0.285 15 S C -1.939 172.515 174.600 -0.243 0.000 1.163 15 S CA -0.366 57.740 58.200 -0.157 0.000 1.025 15 S CB 0.627 63.792 63.200 -0.058 0.000 1.030 15 S HN 0.540 nan 8.310 nan 0.000 0.486 16 F N 4.506 124.294 119.950 -0.271 0.000 2.411 16 F HA 0.727 5.305 4.527 0.086 0.000 0.352 16 F C -0.355 175.393 175.800 -0.087 0.000 1.123 16 F CA -0.478 57.408 58.000 -0.190 0.000 1.044 16 F CB 1.444 40.396 39.000 -0.080 0.000 1.135 16 F HN 0.457 nan 8.300 nan 0.000 0.461 17 S N 6.985 122.362 115.700 -0.539 0.000 2.532 17 S HA 0.599 5.121 4.470 0.087 0.000 0.299 17 S C -0.526 173.655 174.600 -0.699 0.000 1.105 17 S CA -0.644 57.243 58.200 -0.522 0.000 1.018 17 S CB 1.399 64.448 63.200 -0.252 0.000 1.021 17 S HN 0.513 nan 8.310 nan 0.000 0.483 18 I N 2.648 122.856 120.570 -0.603 0.000 2.304 18 I HA 0.321 4.544 4.170 0.087 0.000 0.291 18 I C 1.057 177.033 176.117 -0.236 0.000 1.018 18 I CA -0.434 60.605 61.300 -0.434 0.000 1.260 18 I CB 1.339 39.123 38.000 -0.360 0.000 1.390 18 I HN 0.854 nan 8.210 nan 0.000 0.475 19 A N 5.391 128.103 122.820 -0.180 0.000 2.044 19 A HA 0.657 5.030 4.320 0.087 0.000 0.213 19 A C 0.921 178.452 177.584 -0.088 0.000 1.169 19 A CA 0.722 52.687 52.037 -0.119 0.000 0.724 19 A CB 0.225 19.167 19.000 -0.097 0.000 0.840 19 A HN 0.750 nan 8.150 nan 0.000 0.463 20 A N -0.946 121.823 122.820 -0.086 0.000 2.605 20 A HA 0.737 5.109 4.320 0.087 0.000 0.294 20 A C -0.883 176.668 177.584 -0.055 0.000 1.062 20 A CA -0.753 51.248 52.037 -0.060 0.000 0.682 20 A CB 1.027 19.997 19.000 -0.049 0.000 1.278 20 A HN 0.276 nan 8.150 nan 0.000 0.410 21 R N 0.264 120.745 120.500 -0.032 0.000 2.698 21 R HA 0.699 5.091 4.340 0.087 0.000 0.275 21 R C -1.326 174.982 176.300 0.013 0.000 1.001 21 R CA -0.638 55.453 56.100 -0.014 0.000 0.896 21 R CB 2.603 32.899 30.300 -0.007 0.000 1.218 21 R HN 0.770 nan 8.270 nan 0.000 0.462 22 E N 1.319 121.541 120.200 0.038 0.000 2.317 22 E HA 0.332 4.734 4.350 0.087 0.000 0.270 22 E C 0.004 176.668 176.600 0.108 0.000 0.899 22 E CA 0.110 56.560 56.400 0.084 0.000 0.814 22 E CB 1.258 31.042 29.700 0.140 0.000 1.296 22 E HN 0.780 nan 8.360 nan 0.000 0.404 23 G N 4.574 113.423 108.800 0.082 0.000 2.583 23 G HA2 -0.399 3.613 3.960 0.087 0.000 0.292 23 G HA3 -0.399 3.613 3.960 0.087 0.000 0.292 23 G C 0.628 175.571 174.900 0.072 0.000 1.203 23 G CA 0.554 45.702 45.100 0.079 0.000 0.987 23 G HN 0.588 nan 8.290 nan 0.000 0.554 24 K N 1.372 121.820 120.400 0.081 0.000 2.418 24 K HA 0.481 4.853 4.320 0.087 0.000 0.195 24 K C 1.381 178.026 176.600 0.074 0.000 1.035 24 K CA 0.562 56.894 56.287 0.076 0.000 1.003 24 K CB 0.177 32.719 32.500 0.071 0.000 0.793 24 K HN 0.763 nan 8.250 nan 0.000 0.494 25 A N 1.864 124.727 122.820 0.071 0.000 2.371 25 A HA 0.434 4.806 4.320 0.087 0.000 0.257 25 A C -0.390 177.170 177.584 -0.039 0.000 1.089 25 A CA -0.263 51.767 52.037 -0.013 0.000 0.794 25 A CB 0.353 19.273 19.000 -0.132 0.000 1.029 25 A HN 0.148 nan 8.150 nan 0.000 0.488 26 R N -0.067 120.395 120.500 -0.063 0.000 2.725 26 R HA 0.749 5.142 4.340 0.087 0.000 0.277 26 R C -0.669 175.593 176.300 -0.064 0.000 0.987 26 R CA -0.419 55.654 56.100 -0.044 0.000 0.901 26 R CB 2.030 32.335 30.300 0.008 0.000 1.207 26 R HN 0.684 nan 8.270 nan 0.000 0.463 27 T N -0.213 114.300 114.554 -0.069 0.000 2.909 27 T HA 0.855 5.257 4.350 0.087 0.000 0.299 27 T C -0.640 174.019 174.700 -0.069 0.000 1.073 27 T CA 0.036 62.102 62.100 -0.058 0.000 0.999 27 T CB 1.532 70.347 68.868 -0.089 0.000 1.098 27 T HN 0.777 nan 8.240 nan 0.000 0.477 28 G N 1.490 110.267 108.800 -0.038 0.000 2.364 28 G HA2 0.590 4.603 3.960 0.087 0.000 0.286 28 G HA3 0.590 4.603 3.960 0.087 0.000 0.286 28 G C -0.975 173.919 174.900 -0.011 0.000 1.241 28 G CA 0.042 45.086 45.100 -0.093 0.000 0.887 28 G HN 1.192 nan 8.290 nan 0.000 0.484 29 T N -1.676 112.858 114.554 -0.034 0.000 2.933 29 T HA 0.704 5.106 4.350 0.087 0.000 0.305 29 T C -0.947 173.812 174.700 0.098 0.000 1.092 29 T CA -0.538 61.578 62.100 0.027 0.000 1.008 29 T CB 1.805 70.655 68.868 -0.030 0.000 1.102 29 T HN 0.632 nan 8.240 nan 0.000 0.469 30 I N 2.008 122.625 120.570 0.079 0.000 2.362 30 I HA 0.374 4.596 4.170 0.087 0.000 0.289 30 I C 0.051 176.101 176.117 -0.112 0.000 0.994 30 I CA -0.721 60.550 61.300 -0.047 0.000 1.158 30 I CB 1.571 39.509 38.000 -0.104 0.000 1.315 30 I HN 0.662 nan 8.210 nan 0.000 0.451 31 E N 7.612 127.709 120.200 -0.172 0.000 2.175 31 E HA 0.643 5.045 4.350 0.087 0.000 0.278 31 E C -0.823 175.718 176.600 -0.098 0.000 0.969 31 E CA -0.528 55.811 56.400 -0.102 0.000 0.796 31 E CB 1.999 31.656 29.700 -0.072 0.000 1.104 31 E HN 0.473 nan 8.360 nan 0.000 0.395 32 M N 1.381 120.967 119.600 -0.024 0.000 2.667 32 M HA 0.312 4.844 4.480 0.087 0.000 0.286 32 M C 0.653 176.972 176.300 0.032 0.000 1.270 32 M CA -0.871 54.454 55.300 0.042 0.000 0.826 32 M CB 1.778 34.433 32.600 0.092 0.000 1.743 32 M HN 0.257 nan 8.290 nan 0.000 0.460 33 K N 0.227 120.654 120.400 0.045 0.000 2.103 33 K HA -0.063 4.310 4.320 0.087 0.000 0.207 33 K C 1.583 178.173 176.600 -0.016 0.000 1.048 33 K CA 1.420 57.714 56.287 0.013 0.000 0.930 33 K CB 0.034 32.543 32.500 0.014 0.000 0.716 33 K HN 0.416 nan 8.250 nan 0.000 0.444 34 R N -0.008 120.483 120.500 -0.015 0.000 2.299 34 R HA 0.064 4.456 4.340 0.087 0.000 0.197 34 R C 0.568 176.842 176.300 -0.044 0.000 0.971 34 R CA 0.507 56.578 56.100 -0.048 0.000 1.030 34 R CB 0.702 30.976 30.300 -0.044 0.000 0.932 34 R HN 0.279 nan 8.270 nan 0.000 0.477 35 G N -0.558 108.229 108.800 -0.021 0.000 2.369 35 G HA2 0.007 4.019 3.960 0.087 0.000 0.293 35 G HA3 0.007 4.019 3.960 0.087 0.000 0.293 35 G C -1.567 173.328 174.900 -0.008 0.000 1.301 35 G CA -0.984 44.101 45.100 -0.025 0.000 0.913 35 G HN -0.083 nan 8.290 nan 0.000 0.540 36 V N 0.348 120.256 119.914 -0.010 0.000 2.547 36 V HA 0.675 4.847 4.120 0.087 0.000 0.299 36 V C 0.177 176.280 176.094 0.015 0.000 1.040 36 V CA -0.558 61.738 62.300 -0.007 0.000 0.913 36 V CB 1.497 33.311 31.823 -0.015 0.000 0.992 36 V HN 0.621 nan 8.190 nan 0.000 0.449 37 I N 4.533 125.114 120.570 0.019 0.000 2.382 37 I HA 0.478 4.701 4.170 0.087 0.000 0.286 37 I C 0.187 176.330 176.117 0.044 0.000 1.002 37 I CA -0.463 60.859 61.300 0.038 0.000 1.135 37 I CB 1.347 39.368 38.000 0.036 0.000 1.288 37 I HN 0.491 nan 8.210 nan 0.000 0.448 38 R N 3.866 124.394 120.500 0.047 0.000 2.340 38 R HA 0.453 4.846 4.340 0.087 0.000 0.300 38 R C -0.046 176.292 176.300 0.063 0.000 1.069 38 R CA -0.312 55.815 56.100 0.043 0.000 0.984 38 R CB 1.103 31.421 30.300 0.029 0.000 1.003 38 R HN 0.660 nan 8.270 nan 0.000 0.459 39 T N 0.462 115.062 114.554 0.076 0.000 2.887 39 T HA 0.482 4.884 4.350 0.087 0.000 0.288 39 T C -2.649 172.085 174.700 0.057 0.000 1.021 39 T CA -2.862 59.295 62.100 0.095 0.000 1.000 39 T CB 2.183 71.148 68.868 0.162 0.000 1.034 39 T HN 0.190 nan 8.240 nan 0.000 0.467 40 P HA 0.423 nan 4.420 nan 0.000 0.268 40 P C -1.022 176.378 177.300 0.168 0.000 1.205 40 P CA -0.223 62.957 63.100 0.133 0.000 0.771 40 P CB 0.394 32.206 31.700 0.187 0.000 0.858 41 A N 3.465 126.411 122.820 0.210 0.000 2.330 41 A HA 0.666 5.038 4.320 0.087 0.000 0.327 41 A C -1.357 176.417 177.584 0.317 0.000 1.155 41 A CA -0.503 51.645 52.037 0.185 0.000 0.803 41 A CB 0.386 19.430 19.000 0.072 0.000 1.208 41 A HN 0.489 nan 8.150 nan 0.000 0.477 42 F N 2.728 122.757 119.950 0.133 0.000 2.444 42 F HA 0.672 5.248 4.527 0.083 0.000 0.342 42 F C -0.310 175.508 175.800 0.031 0.000 1.121 42 F CA -0.867 57.208 58.000 0.124 0.000 0.997 42 F CB 1.541 40.607 39.000 0.109 0.000 1.130 42 F HN 0.482 nan 8.300 nan 0.000 0.454 43 M N 8.527 127.654 119.600 -0.788 0.000 2.044 43 M HA 0.347 4.880 4.480 0.087 0.000 0.333 43 M C -2.544 173.304 176.300 -0.755 0.000 1.004 43 M CA -1.847 53.104 55.300 -0.582 0.000 0.954 43 M CB 1.078 33.409 32.600 -0.448 0.000 1.468 43 M HN 0.303 nan 8.290 nan 0.000 0.414 44 P HA 0.071 nan 4.420 nan 0.000 0.267 44 P C -0.704 176.405 177.300 -0.320 0.000 1.200 44 P CA -0.214 62.704 63.100 -0.303 0.000 0.772 44 P CB 0.579 32.179 31.700 -0.167 0.000 0.855 45 V N 2.724 122.494 119.914 -0.239 0.000 2.427 45 V HA 0.600 4.772 4.120 0.087 0.000 0.286 45 V C 0.905 176.882 176.094 -0.195 0.000 1.034 45 V CA -0.313 61.858 62.300 -0.214 0.000 0.893 45 V CB 1.259 32.986 31.823 -0.160 0.000 0.982 45 V HN 0.697 nan 8.190 nan 0.000 0.452 46 G N 1.423 110.096 108.800 -0.212 0.000 2.372 46 G HA2 0.487 4.500 3.960 0.087 0.000 0.323 46 G HA3 0.487 4.500 3.960 0.087 0.000 0.323 46 G C 0.650 175.431 174.900 -0.198 0.000 1.152 46 G CA 0.355 45.343 45.100 -0.187 0.000 0.906 46 G HN 0.835 nan 8.290 nan 0.000 0.460 47 T N -0.882 113.557 114.554 -0.192 0.000 3.015 47 T HA 0.380 4.782 4.350 0.087 0.000 0.250 47 T C 1.244 175.805 174.700 -0.232 0.000 1.057 47 T CA 1.019 62.919 62.100 -0.334 0.000 1.066 47 T CB 0.400 69.056 68.868 -0.354 0.000 0.959 47 T HN 0.974 nan 8.240 nan 0.000 0.488 48 A N 0.404 123.170 122.820 -0.089 0.000 3.129 48 A HA 0.831 5.203 4.320 0.087 0.000 0.282 48 A C 0.942 178.534 177.584 0.013 0.000 0.948 48 A CA 0.026 52.062 52.037 -0.001 0.000 1.027 48 A CB -0.698 18.321 19.000 0.033 0.000 1.123 48 A HN 1.519 nan 8.150 nan 0.000 0.485 49 A N -0.703 122.113 122.820 -0.006 0.000 2.925 49 A HA -0.024 4.348 4.320 0.087 0.000 0.265 49 A C 0.558 178.115 177.584 -0.045 0.000 1.419 49 A CA 1.546 53.594 52.037 0.018 0.000 0.807 49 A CB -2.190 16.916 19.000 0.177 0.000 1.043 49 A HN 2.258 nan 8.150 nan 0.000 0.600 50 T N -1.560 112.948 114.554 -0.077 0.000 3.012 50 T HA 0.504 4.906 4.350 0.087 0.000 0.330 50 T C -0.640 173.993 174.700 -0.112 0.000 1.321 50 T CA 0.259 62.305 62.100 -0.090 0.000 1.067 50 T CB 1.436 70.262 68.868 -0.070 0.000 1.235 50 T HN 1.211 nan 8.240 nan 0.000 0.479 51 V N 5.761 125.600 119.914 -0.125 0.000 2.427 51 V HA 0.336 4.509 4.120 0.087 0.000 0.268 51 V C 0.753 176.801 176.094 -0.076 0.000 1.046 51 V CA -0.493 61.733 62.300 -0.124 0.000 0.970 51 V CB 0.606 32.339 31.823 -0.151 0.000 1.001 51 V HN 0.804 nan 8.190 nan 0.000 0.476 52 K N 4.130 124.492 120.400 -0.063 0.000 2.451 52 K HA 0.342 4.715 4.320 0.087 0.000 0.280 52 K C 1.065 177.645 176.600 -0.033 0.000 1.020 52 K CA 0.760 57.020 56.287 -0.045 0.000 1.008 52 K CB 0.369 32.847 32.500 -0.037 0.000 0.917 52 K HN 1.058 nan 8.250 nan 0.000 0.478 53 A N 2.371 125.173 122.820 -0.031 0.000 3.021 53 A HA -0.185 4.187 4.320 0.087 0.000 0.257 53 A C -0.218 177.357 177.584 -0.014 0.000 1.277 53 A CA 0.735 52.757 52.037 -0.026 0.000 1.012 53 A CB -2.060 16.923 19.000 -0.029 0.000 1.147 53 A HN 0.562 nan 8.150 nan 0.000 0.861 54 L N -0.562 120.654 121.223 -0.012 0.000 2.408 54 L HA 0.444 4.836 4.340 0.087 0.000 0.268 54 L C 0.388 177.265 176.870 0.012 0.000 0.986 54 L CA -0.906 53.939 54.840 0.008 0.000 0.820 54 L CB 1.892 43.959 42.059 0.013 0.000 1.303 54 L HN 0.250 nan 8.230 nan 0.000 0.411 55 K N 2.734 123.153 120.400 0.032 0.000 2.355 55 K HA 0.105 4.478 4.320 0.087 0.000 0.270 55 K C -1.624 175.029 176.600 0.087 0.000 1.003 55 K CA -1.333 54.982 56.287 0.047 0.000 0.957 55 K CB 0.757 33.288 32.500 0.052 0.000 0.939 55 K HN 0.257 nan 8.250 nan 0.000 0.482 56 P HA -0.242 nan 4.420 nan 0.000 0.218 56 P C 0.810 178.278 177.300 0.279 0.000 1.148 56 P CA 1.282 64.542 63.100 0.267 0.000 0.822 56 P CB 0.073 31.988 31.700 0.358 0.000 0.784 57 E N -0.878 119.420 120.200 0.163 0.000 2.153 57 E HA -0.139 4.263 4.350 0.087 0.000 0.194 57 E C 1.173 177.853 176.600 0.134 0.000 0.988 57 E CA 1.488 57.963 56.400 0.124 0.000 0.811 57 E CB -1.417 28.329 29.700 0.077 0.000 0.746 57 E HN 0.164 nan 8.360 nan 0.000 0.466 58 T N 1.242 115.873 114.554 0.129 0.000 2.812 58 T HA -0.056 4.346 4.350 0.087 0.000 0.264 58 T C 2.126 176.911 174.700 0.142 0.000 1.042 58 T CA 1.168 63.341 62.100 0.122 0.000 1.140 58 T CB -0.182 68.746 68.868 0.099 0.000 0.870 58 T HN 0.036 nan 8.240 nan 0.000 0.445 59 V N 1.981 121.991 119.914 0.160 0.000 2.332 59 V HA -0.193 3.979 4.120 0.087 0.000 0.248 59 V C 2.672 178.921 176.094 0.258 0.000 1.055 59 V CA 1.747 64.144 62.300 0.162 0.000 1.038 59 V CB -0.610 31.259 31.823 0.077 0.000 0.651 59 V HN 0.259 nan 8.190 nan 0.000 0.450 60 R N 1.248 121.965 120.500 0.361 0.000 2.081 60 R HA -0.061 4.332 4.340 0.087 0.000 0.235 60 R C 2.127 178.527 176.300 0.168 0.000 1.131 60 R CA 1.905 58.178 56.100 0.288 0.000 0.960 60 R CB -1.077 29.315 30.300 0.153 0.000 0.856 60 R HN 0.435 nan 8.270 nan 0.000 0.436 61 A N -0.422 122.483 122.820 0.140 0.000 2.019 61 A HA -0.140 4.233 4.320 0.087 0.000 0.219 61 A C 2.065 179.719 177.584 0.117 0.000 1.164 61 A CA 1.946 54.049 52.037 0.111 0.000 0.644 61 A CB -1.124 17.939 19.000 0.105 0.000 0.805 61 A HN 0.639 nan 8.150 nan 0.000 0.449 62 T N -4.407 110.227 114.554 0.133 0.000 3.072 62 T HA 0.326 4.729 4.350 0.087 0.000 0.266 62 T C 1.417 176.191 174.700 0.124 0.000 1.127 62 T CA 1.354 63.531 62.100 0.129 0.000 1.107 62 T CB -0.082 68.862 68.868 0.128 0.000 0.910 62 T HN 1.658 nan 8.240 nan 0.000 0.513 63 G N 0.702 109.580 108.800 0.131 0.000 2.192 63 G HA2 0.085 4.097 3.960 0.087 0.000 0.193 63 G HA3 0.085 4.097 3.960 0.087 0.000 0.193 63 G C 0.255 175.245 174.900 0.151 0.000 0.999 63 G CA -0.178 44.995 45.100 0.121 0.000 0.659 63 G HN 1.104 nan 8.290 nan 0.000 0.503 64 A N 0.322 123.259 122.820 0.194 0.000 2.511 64 A HA 0.514 4.886 4.320 0.087 0.000 0.242 64 A C 1.026 178.790 177.584 0.300 0.000 1.069 64 A CA 1.059 53.230 52.037 0.224 0.000 0.763 64 A CB 0.286 19.401 19.000 0.191 0.000 1.001 64 A HN 0.181 nan 8.150 nan 0.000 0.498 65 D N 0.471 121.013 120.400 0.237 0.000 2.392 65 D HA 0.222 4.914 4.640 0.087 0.000 0.206 65 D C 0.178 176.679 176.300 0.335 0.000 1.046 65 D CA 0.769 54.904 54.000 0.225 0.000 0.865 65 D CB 0.472 41.344 40.800 0.120 0.000 0.969 65 D HN 0.574 nan 8.370 nan 0.000 0.509 66 I N 0.542 121.292 120.570 0.300 0.000 2.918 66 I HA 0.312 4.534 4.170 0.087 0.000 0.301 66 I C -1.744 174.325 176.117 -0.081 0.000 1.312 66 I CA -0.977 60.457 61.300 0.223 0.000 1.007 66 I CB 2.337 40.374 38.000 0.062 0.000 1.281 66 I HN -0.220 nan 8.210 nan 0.000 0.440 67 I N 3.705 124.096 120.570 -0.298 0.000 3.002 67 I HA 0.608 4.831 4.170 0.087 0.000 0.310 67 I C -1.826 174.073 176.117 -0.363 0.000 1.087 67 I CA -0.987 60.012 61.300 -0.502 0.000 1.017 67 I CB 2.026 39.499 38.000 -0.878 0.000 1.226 67 I HN 0.291 nan 8.210 nan 0.000 0.443 68 L N 2.566 123.588 121.223 -0.336 0.000 2.325 68 L HA 0.838 5.230 4.340 0.087 0.000 0.278 68 L C 0.534 177.271 176.870 -0.222 0.000 1.023 68 L CA -0.214 54.475 54.840 -0.253 0.000 0.811 68 L CB 0.837 42.768 42.059 -0.213 0.000 1.249 68 L HN 0.978 nan 8.230 nan 0.000 0.431 69 G N 1.373 110.074 108.800 -0.164 0.000 3.108 69 G HA2 0.557 4.569 3.960 0.087 0.000 0.268 69 G HA3 0.557 4.569 3.960 0.087 0.000 0.268 69 G C -1.212 173.651 174.900 -0.061 0.000 1.361 69 G CA -0.457 44.570 45.100 -0.121 0.000 1.047 69 G HN 0.661 nan 8.290 nan 0.000 0.540 70 N N -1.563 117.131 118.700 -0.010 0.000 2.367 70 N HA 0.140 4.932 4.740 0.087 0.000 0.278 70 N C 0.382 175.967 175.510 0.125 0.000 1.117 70 N CA -0.330 52.765 53.050 0.074 0.000 0.867 70 N CB 1.829 40.390 38.487 0.123 0.000 1.649 70 N HN 0.233 nan 8.380 nan 0.000 0.479 71 T N 1.648 116.284 114.554 0.138 0.000 2.708 71 T HA -0.153 4.249 4.350 0.087 0.000 0.266 71 T C 1.426 176.210 174.700 0.140 0.000 1.037 71 T CA 1.528 63.703 62.100 0.126 0.000 1.146 71 T CB -0.508 68.446 68.868 0.143 0.000 0.865 71 T HN 0.617 nan 8.240 nan 0.000 0.435 72 Y N 1.260 121.600 120.300 0.068 0.000 2.114 72 Y HA -0.210 4.392 4.550 0.087 0.000 0.284 72 Y C 2.361 178.257 175.900 -0.008 0.000 1.143 72 Y CA 1.704 59.801 58.100 -0.005 0.000 1.135 72 Y CB -0.626 37.779 38.460 -0.091 0.000 0.980 72 Y HN 0.347 nan 8.280 nan 0.000 0.499 73 H N -0.062 118.947 119.070 -0.102 0.000 2.253 73 H HA -0.182 4.428 4.556 0.089 0.000 0.296 73 H C 2.320 177.533 175.328 -0.191 0.000 1.067 73 H CA 2.593 58.523 56.048 -0.196 0.000 1.245 73 H CB -0.763 28.990 29.762 -0.015 0.000 1.364 73 H HN 0.310 nan 8.280 nan 0.000 0.494 74 L N 0.409 121.664 121.223 0.053 0.000 2.129 74 L HA -0.247 4.145 4.340 0.087 0.000 0.212 74 L C 2.531 179.363 176.870 -0.065 0.000 1.087 74 L CA 1.633 56.471 54.840 -0.004 0.000 0.757 74 L CB -0.565 41.499 42.059 0.009 0.000 0.896 74 L HN 0.487 nan 8.230 nan 0.000 0.434 75 M N -1.741 117.804 119.600 -0.091 0.000 2.374 75 M HA -0.143 4.390 4.480 0.087 0.000 0.264 75 M C 1.895 178.081 176.300 -0.191 0.000 1.067 75 M CA 1.746 56.979 55.300 -0.112 0.000 1.103 75 M CB -0.332 32.219 32.600 -0.082 0.000 1.402 75 M HN 0.174 nan 8.290 nan 0.000 0.444 76 L N -0.229 120.838 121.223 -0.261 0.000 2.145 76 L HA 0.177 4.569 4.340 0.087 0.000 0.201 76 L C 1.281 178.081 176.870 -0.118 0.000 1.075 76 L CA 0.576 55.266 54.840 -0.251 0.000 0.773 76 L CB 0.083 41.933 42.059 -0.348 0.000 0.936 76 L HN 0.295 nan 8.230 nan 0.000 0.451 77 R N -0.131 120.316 120.500 -0.089 0.000 2.510 77 R HA 0.234 4.626 4.340 0.087 0.000 0.294 77 R C -2.305 173.998 176.300 0.004 0.000 1.056 77 R CA -1.311 54.773 56.100 -0.026 0.000 0.918 77 R CB 1.883 32.181 30.300 -0.004 0.000 1.187 77 R HN -0.232 nan 8.270 nan 0.000 0.437 78 P HA 0.207 nan 4.420 nan 0.000 0.255 78 P C -0.329 176.934 177.300 -0.062 0.000 1.248 78 P CA 0.273 63.361 63.100 -0.020 0.000 0.807 78 P CB 0.790 32.467 31.700 -0.037 0.000 1.150 79 G N -0.213 108.542 108.800 -0.076 0.000 2.770 79 G HA2 0.083 4.096 3.960 0.087 0.000 0.686 79 G HA3 0.083 4.096 3.960 0.087 0.000 0.686 79 G C 0.659 175.502 174.900 -0.095 0.000 1.180 79 G CA -0.443 44.614 45.100 -0.071 0.000 0.767 79 G HN 0.154 nan 8.290 nan 0.000 0.646 80 A N 0.968 123.748 122.820 -0.067 0.000 1.872 80 A HA 0.175 4.548 4.320 0.087 0.000 0.214 80 A C 2.069 179.605 177.584 -0.081 0.000 1.187 80 A CA 2.358 54.353 52.037 -0.069 0.000 0.614 80 A CB -0.377 18.604 19.000 -0.032 0.000 0.826 80 A HN 0.884 nan 8.150 nan 0.000 0.442 81 E N -0.502 119.664 120.200 -0.057 0.000 2.110 81 E HA -0.168 4.235 4.350 0.087 0.000 0.193 81 E C 2.162 178.713 176.600 -0.082 0.000 0.988 81 E CA 1.393 57.761 56.400 -0.053 0.000 0.804 81 E CB -0.202 29.480 29.700 -0.030 0.000 0.745 81 E HN 0.631 nan 8.360 nan 0.000 0.458 82 R N 0.380 120.820 120.500 -0.101 0.000 2.066 82 R HA -0.068 4.324 4.340 0.087 0.000 0.232 82 R C 2.176 178.345 176.300 -0.218 0.000 1.131 82 R CA 1.246 57.267 56.100 -0.132 0.000 0.955 82 R CB -0.302 29.923 30.300 -0.126 0.000 0.851 82 R HN 0.164 nan 8.270 nan 0.000 0.432 83 I N 1.059 121.452 120.570 -0.295 0.000 2.286 83 I HA -0.257 3.965 4.170 0.087 0.000 0.248 83 I C 2.548 178.527 176.117 -0.230 0.000 1.115 83 I CA 1.298 62.351 61.300 -0.411 0.000 1.392 83 I CB -0.329 37.438 38.000 -0.389 0.000 1.065 83 I HN 0.359 nan 8.210 nan 0.000 0.418 84 A N 0.443 123.170 122.820 -0.155 0.000 1.877 84 A HA -0.272 4.100 4.320 0.087 0.000 0.216 84 A C 2.398 179.932 177.584 -0.083 0.000 1.186 84 A CA 1.812 53.782 52.037 -0.111 0.000 0.620 84 A CB -0.554 18.387 19.000 -0.100 0.000 0.822 84 A HN 0.319 nan 8.150 nan 0.000 0.443 85 K N -0.355 119.997 120.400 -0.081 0.000 2.152 85 K HA -0.048 4.324 4.320 0.087 0.000 0.206 85 K C 1.447 178.021 176.600 -0.043 0.000 1.048 85 K CA 1.225 57.480 56.287 -0.053 0.000 0.933 85 K CB -0.247 32.223 32.500 -0.049 0.000 0.721 85 K HN 0.525 nan 8.250 nan 0.000 0.447 86 L N -0.641 120.540 121.223 -0.069 0.000 2.591 86 L HA 0.091 4.483 4.340 0.087 0.000 0.228 86 L C 1.069 177.952 176.870 0.021 0.000 1.133 86 L CA 0.566 55.394 54.840 -0.020 0.000 0.880 86 L CB 0.347 42.375 42.059 -0.053 0.000 1.033 86 L HN 0.538 nan 8.230 nan 0.000 0.450 87 G N -0.732 108.064 108.800 -0.006 0.000 2.175 87 G HA2 0.006 4.018 3.960 0.087 0.000 0.182 87 G HA3 0.006 4.018 3.960 0.087 0.000 0.182 87 G C 0.502 175.421 174.900 0.031 0.000 1.003 87 G CA -0.283 44.828 45.100 0.019 0.000 0.666 87 G HN 0.759 nan 8.290 nan 0.000 0.506 88 G N -1.651 107.149 108.800 -0.000 0.000 2.662 88 G HA2 0.192 4.204 3.960 0.087 0.000 0.686 88 G HA3 0.192 4.204 3.960 0.087 0.000 0.686 88 G C 0.434 175.387 174.900 0.089 0.000 1.271 88 G CA -0.050 45.063 45.100 0.022 0.000 0.816 88 G HN 1.474 nan 8.290 nan 0.000 0.608 89 L N 0.213 121.484 121.223 0.079 0.000 2.141 89 L HA 0.115 4.507 4.340 0.087 0.000 0.209 89 L C 2.495 179.449 176.870 0.139 0.000 1.094 89 L CA 2.951 57.851 54.840 0.100 0.000 0.763 89 L CB -0.818 41.230 42.059 -0.017 0.000 0.908 89 L HN 0.742 nan 8.230 nan 0.000 0.437 90 H N -1.907 117.249 119.070 0.143 0.000 2.321 90 H HA -0.125 4.483 4.556 0.086 0.000 0.300 90 H C 2.538 177.953 175.328 0.145 0.000 1.087 90 H CA 1.880 58.026 56.048 0.162 0.000 1.319 90 H CB -0.335 29.495 29.762 0.113 0.000 1.379 90 H HN 0.362 nan 8.280 nan 0.000 0.501 91 S N -0.537 115.315 115.700 0.255 0.000 2.368 91 S HA -0.167 4.356 4.470 0.087 0.000 0.224 91 S C 2.001 176.719 174.600 0.197 0.000 1.029 91 S CA 0.940 59.248 58.200 0.180 0.000 0.988 91 S CB -0.455 62.831 63.200 0.143 0.000 0.838 91 S HN 0.348 nan 8.310 nan 0.000 0.462 92 F N 2.018 122.001 119.950 0.056 0.000 2.069 92 F HA -0.038 4.546 4.527 0.095 0.000 0.298 92 F C 2.175 177.997 175.800 0.037 0.000 1.113 92 F CA 1.923 59.943 58.000 0.034 0.000 1.214 92 F CB -0.456 38.554 39.000 0.017 0.000 0.978 92 F HN 0.229 nan 8.300 nan 0.000 0.474 93 M N -0.879 118.760 119.600 0.064 0.000 2.288 93 M HA 0.140 4.672 4.480 0.087 0.000 0.266 93 M C 1.419 177.735 176.300 0.027 0.000 1.072 93 M CA 1.199 56.479 55.300 -0.033 0.000 1.132 93 M CB -0.440 32.187 32.600 0.045 0.000 1.386 93 M HN 0.338 nan 8.290 nan 0.000 0.432 94 G N 0.542 109.403 108.800 0.102 0.000 2.203 94 G HA2 -0.215 3.797 3.960 0.087 0.000 0.231 94 G HA3 -0.215 3.797 3.960 0.087 0.000 0.231 94 G C -0.721 174.299 174.900 0.200 0.000 1.058 94 G CA -0.359 44.810 45.100 0.116 0.000 0.781 94 G HN 0.587 nan 8.290 nan 0.000 0.496 95 W N 1.846 123.170 121.300 0.040 0.000 2.424 95 W HA 0.494 5.196 4.660 0.070 0.000 0.318 95 W C 0.079 176.694 176.519 0.160 0.000 1.016 95 W CA -0.128 57.250 57.345 0.055 0.000 1.268 95 W CB 1.274 30.734 29.460 0.001 0.000 1.297 95 W HN 0.305 nan 8.180 nan 0.000 0.428 96 D N 3.368 123.611 120.400 -0.263 0.000 2.340 96 D HA 0.095 4.787 4.640 0.087 0.000 0.217 96 D C 0.417 176.574 176.300 -0.238 0.000 1.081 96 D CA 0.104 54.023 54.000 -0.135 0.000 0.842 96 D CB 0.373 41.084 40.800 -0.149 0.000 0.934 96 D HN 0.178 nan 8.370 nan 0.000 0.511 97 R N 0.056 120.215 120.500 -0.567 0.000 2.606 97 R HA 0.510 4.902 4.340 0.087 0.000 0.249 97 R C -2.442 174.018 176.300 0.267 0.000 1.127 97 R CA -2.075 53.859 56.100 -0.275 0.000 1.133 97 R CB 0.274 30.222 30.300 -0.587 0.000 1.243 97 R HN -0.045 nan 8.270 nan 0.000 0.558 98 P HA 0.021 nan 4.420 nan 0.000 0.268 98 P C -0.849 176.709 177.300 0.431 0.000 1.208 98 P CA 0.664 63.974 63.100 0.351 0.000 0.777 98 P CB 0.453 32.267 31.700 0.190 0.000 0.875 99 I N 2.368 123.104 120.570 0.277 0.000 2.499 99 I HA 0.337 4.559 4.170 0.087 0.000 0.288 99 I C -0.303 175.799 176.117 -0.026 0.000 1.048 99 I CA -0.874 60.450 61.300 0.041 0.000 1.062 99 I CB 1.735 39.661 38.000 -0.123 0.000 1.238 99 I HN 0.181 nan 8.210 nan 0.000 0.426 100 L N 6.778 127.928 121.223 -0.122 0.000 2.289 100 L HA 0.595 4.987 4.340 0.087 0.000 0.285 100 L C -0.022 176.770 176.870 -0.129 0.000 1.049 100 L CA -0.006 54.730 54.840 -0.172 0.000 0.804 100 L CB 1.406 43.281 42.059 -0.306 0.000 1.195 100 L HN 0.707 nan 8.230 nan 0.000 0.428 101 T N -0.047 114.459 114.554 -0.080 0.000 2.823 101 T HA 0.366 4.768 4.350 0.087 0.000 0.279 101 T C -0.369 174.330 174.700 -0.003 0.000 0.998 101 T CA -0.902 61.178 62.100 -0.035 0.000 0.994 101 T CB 1.643 70.511 68.868 0.001 0.000 0.960 101 T HN 0.515 nan 8.240 nan 0.000 0.448 102 D N 0.885 121.298 120.400 0.022 0.000 2.358 102 D HA 0.235 4.927 4.640 0.087 0.000 0.244 102 D C 1.341 177.698 176.300 0.095 0.000 1.163 102 D CA -0.422 53.609 54.000 0.051 0.000 0.945 102 D CB 1.354 42.181 40.800 0.045 0.000 1.152 102 D HN 0.617 nan 8.370 nan 0.000 0.451 103 S N 0.143 115.914 115.700 0.118 0.000 2.524 103 S HA 0.271 4.794 4.470 0.087 0.000 0.216 103 S C 1.540 176.314 174.600 0.290 0.000 0.987 103 S CA 0.471 58.794 58.200 0.204 0.000 0.909 103 S CB 0.451 63.797 63.200 0.243 0.000 0.781 103 S HN 0.838 nan 8.310 nan 0.000 0.521 104 G N 0.867 109.798 108.800 0.218 0.000 2.213 104 G HA2 -0.166 3.846 3.960 0.087 0.000 0.236 104 G HA3 -0.166 3.846 3.960 0.087 0.000 0.236 104 G C 0.658 175.643 174.900 0.141 0.000 0.991 104 G CA -0.214 45.023 45.100 0.227 0.000 0.629 104 G HN 1.105 nan 8.290 nan 0.000 0.517 105 G N -0.535 108.312 108.800 0.078 0.000 3.452 105 G HA2 0.454 4.466 3.960 0.087 0.000 0.258 105 G HA3 0.454 4.466 3.960 0.087 0.000 0.258 105 G C 0.296 175.158 174.900 -0.063 0.000 1.305 105 G CA 1.235 46.209 45.100 -0.209 0.000 1.514 105 G HN 0.954 nan 8.290 nan 0.000 0.593 106 Y N -2.078 118.124 120.300 -0.164 0.000 3.213 106 Y HA 0.149 4.751 4.550 0.087 0.000 0.208 106 Y C 2.438 178.221 175.900 -0.195 0.000 1.044 106 Y CA 1.159 59.172 58.100 -0.145 0.000 1.520 106 Y CB -0.048 38.352 38.460 -0.099 0.000 1.447 106 Y HN 0.189 nan 8.280 nan 0.000 0.393 107 Q N 0.720 120.485 119.800 -0.058 0.000 2.291 107 Q HA 0.025 4.417 4.340 0.087 0.000 0.205 107 Q C 1.825 177.321 176.000 -0.841 0.000 0.970 107 Q CA 2.114 57.747 55.803 -0.284 0.000 0.876 107 Q CB -1.217 27.505 28.738 -0.028 0.000 0.935 107 Q HN 0.465 nan 8.270 nan 0.000 0.455 108 V N 0.361 119.749 119.914 -0.876 0.000 2.270 108 V HA -0.116 4.056 4.120 0.087 0.000 0.245 108 V C 1.560 177.323 176.094 -0.552 0.000 1.043 108 V CA 1.063 62.760 62.300 -1.006 0.000 1.014 108 V CB -0.383 30.925 31.823 -0.858 0.000 0.645 108 V HN 0.598 nan 8.190 nan 0.000 0.447 116 K N 4.702 125.187 120.400 0.143 0.000 2.367 116 K HA 0.513 4.885 4.320 0.087 0.000 0.263 116 K C -0.489 176.200 176.600 0.147 0.000 1.000 116 K CA -0.608 55.749 56.287 0.116 0.000 0.891 116 K CB 0.995 33.550 32.500 0.091 0.000 1.117 116 K HN 0.584 nan 8.250 nan 0.000 0.443 117 Q N 2.211 122.095 119.800 0.141 0.000 2.257 117 Q HA 0.270 4.663 4.340 0.087 0.000 0.255 117 Q C -0.724 175.382 176.000 0.177 0.000 0.920 117 Q CA -0.539 55.374 55.803 0.184 0.000 0.927 117 Q CB 1.907 30.738 28.738 0.154 0.000 1.229 117 Q HN 0.858 nan 8.270 nan 0.000 0.433 118 S N 0.038 115.883 115.700 0.241 0.000 2.705 118 S HA 0.214 4.736 4.470 0.087 0.000 0.280 118 S C 0.413 175.219 174.600 0.343 0.000 1.174 118 S CA -0.860 57.468 58.200 0.214 0.000 0.823 118 S CB 1.283 64.580 63.200 0.161 0.000 1.162 118 S HN 0.648 nan 8.310 nan 0.000 0.487 119 E N 0.357 120.722 120.200 0.276 0.000 2.268 119 E HA -0.070 4.333 4.350 0.087 0.000 0.195 119 E C 1.396 178.301 176.600 0.509 0.000 0.995 119 E CA 1.312 57.937 56.400 0.375 0.000 0.836 119 E CB -0.115 29.712 29.700 0.212 0.000 0.763 119 E HN 0.535 nan 8.360 nan 0.000 0.491 120 E N -0.473 119.907 120.200 0.300 0.000 2.152 120 E HA 0.125 4.527 4.350 0.087 0.000 0.192 120 E C 0.926 177.548 176.600 0.036 0.000 0.983 120 E CA 1.025 57.519 56.400 0.155 0.000 0.818 120 E CB 0.322 30.072 29.700 0.084 0.000 0.758 120 E HN 0.312 nan 8.360 nan 0.000 0.467 121 G N -0.964 107.927 108.800 0.152 0.000 2.403 121 G HA2 0.068 4.080 3.960 0.087 0.000 0.223 121 G HA3 0.068 4.080 3.960 0.087 0.000 0.223 121 G C -1.555 173.481 174.900 0.227 0.000 1.287 121 G CA -0.184 44.924 45.100 0.013 0.000 0.982 121 G HN 0.130 nan 8.290 nan 0.000 0.471 122 V N 0.394 120.434 119.914 0.211 0.000 2.789 122 V HA 0.806 4.978 4.120 0.087 0.000 0.311 122 V C -0.399 175.891 176.094 0.326 0.000 1.073 122 V CA 0.136 62.609 62.300 0.288 0.000 0.921 122 V CB 1.983 34.004 31.823 0.330 0.000 1.009 122 V HN 1.152 nan 8.190 nan 0.000 0.426 123 T N 7.350 122.071 114.554 0.279 0.000 2.859 123 T HA 0.834 5.236 4.350 0.087 0.000 0.281 123 T C -0.847 174.038 174.700 0.309 0.000 1.005 123 T CA -0.088 62.134 62.100 0.204 0.000 1.025 123 T CB 1.071 69.979 68.868 0.067 0.000 0.977 123 T HN 0.773 nan 8.240 nan 0.000 0.458 124 F N -1.942 118.076 119.950 0.113 0.000 2.741 124 F HA 0.832 5.411 4.527 0.087 0.000 0.313 124 F C -0.272 175.603 175.800 0.126 0.000 1.153 124 F CA -1.699 56.365 58.000 0.108 0.000 0.931 124 F CB 0.203 39.272 39.000 0.114 0.000 1.335 124 F HN 0.621 nan 8.300 nan 0.000 0.460 134 M N 1.732 121.284 119.600 -0.080 0.000 2.518 134 M HA 0.653 5.186 4.480 0.087 0.000 0.300 134 M C -1.899 174.512 176.300 0.186 0.000 1.175 134 M CA -0.847 54.494 55.300 0.069 0.000 0.890 134 M CB 1.944 34.543 32.600 -0.002 0.000 1.710 134 M HN 0.236 nan 8.290 nan 0.000 0.453 135 L N 2.769 124.099 121.223 0.178 0.000 2.409 135 L HA 0.912 5.305 4.340 0.087 0.000 0.272 135 L C 0.175 176.791 176.870 -0.422 0.000 0.980 135 L CA -0.656 54.145 54.840 -0.066 0.000 0.826 135 L CB 2.004 44.099 42.059 0.060 0.000 1.268 135 L HN 1.193 nan 8.230 nan 0.000 0.407 136 S N 3.310 118.626 115.700 -0.640 0.000 2.671 136 S HA 0.742 5.265 4.470 0.087 0.000 0.299 136 S C -2.373 171.577 174.600 -1.082 0.000 1.116 136 S CA -1.398 56.302 58.200 -0.833 0.000 0.912 136 S CB 1.836 64.792 63.200 -0.408 0.000 1.130 136 S HN 0.369 nan 8.310 nan 0.000 0.501 137 P HA -0.134 nan 4.420 nan 0.000 0.216 137 P C 0.915 178.067 177.300 -0.247 0.000 1.154 137 P CA 1.528 64.376 63.100 -0.419 0.000 0.865 137 P CB -0.014 31.576 31.700 -0.183 0.000 0.789 138 E N -1.159 118.912 120.200 -0.216 0.000 2.072 138 E HA -0.174 4.228 4.350 0.087 0.000 0.191 138 E C 2.162 178.696 176.600 -0.112 0.000 0.985 138 E CA 1.021 57.354 56.400 -0.113 0.000 0.801 138 E CB -0.513 29.134 29.700 -0.088 0.000 0.750 138 E HN 0.047 nan 8.360 nan 0.000 0.452 139 R N 0.242 120.641 120.500 -0.169 0.000 2.093 139 R HA 0.054 4.447 4.340 0.087 0.000 0.224 139 R C 2.252 178.490 176.300 -0.104 0.000 1.101 139 R CA 1.548 57.575 56.100 -0.121 0.000 0.979 139 R CB -0.777 29.444 30.300 -0.132 0.000 0.877 139 R HN 0.116 nan 8.270 nan 0.000 0.441 140 S N -0.105 115.475 115.700 -0.200 0.000 2.356 140 S HA -0.063 4.459 4.470 0.087 0.000 0.223 140 S C 1.799 176.412 174.600 0.023 0.000 1.032 140 S CA 1.330 59.476 58.200 -0.089 0.000 1.005 140 S CB -0.244 62.862 63.200 -0.156 0.000 0.867 140 S HN 0.317 nan 8.310 nan 0.000 0.449 141 I N 2.016 122.604 120.570 0.029 0.000 2.286 141 I HA -0.095 4.127 4.170 0.087 0.000 0.248 141 I C 2.536 178.716 176.117 0.104 0.000 1.115 141 I CA 1.400 62.765 61.300 0.109 0.000 1.392 141 I CB -1.568 36.512 38.000 0.134 0.000 1.065 141 I HN 0.547 nan 8.210 nan 0.000 0.418 142 E N 1.172 121.404 120.200 0.054 0.000 2.072 142 E HA -0.198 4.204 4.350 0.087 0.000 0.191 142 E C 2.431 179.098 176.600 0.112 0.000 0.985 142 E CA 1.116 57.562 56.400 0.077 0.000 0.801 142 E CB -0.020 29.696 29.700 0.028 0.000 0.750 142 E HN 0.425 nan 8.360 nan 0.000 0.452 143 I N 1.051 121.659 120.570 0.063 0.000 2.208 143 I HA -0.324 3.899 4.170 0.087 0.000 0.245 143 I C 2.646 178.798 176.117 0.059 0.000 1.097 143 I CA 1.389 62.718 61.300 0.049 0.000 1.363 143 I CB -0.273 37.748 38.000 0.036 0.000 1.051 143 I HN 0.209 nan 8.210 nan 0.000 0.413 144 Q N -0.556 119.298 119.800 0.089 0.000 2.170 144 Q HA -0.283 4.109 4.340 0.087 0.000 0.203 144 Q C 2.122 178.185 176.000 0.104 0.000 0.976 144 Q CA 1.777 57.636 55.803 0.093 0.000 0.858 144 Q CB -0.334 28.477 28.738 0.122 0.000 0.907 144 Q HN 0.582 nan 8.270 nan 0.000 0.433 145 H N 0.830 119.924 119.070 0.040 0.000 2.321 145 H HA -0.089 4.520 4.556 0.088 0.000 0.300 145 H C 1.778 177.113 175.328 0.011 0.000 1.087 145 H CA 1.556 57.615 56.048 0.018 0.000 1.319 145 H CB -0.184 29.572 29.762 -0.011 0.000 1.379 145 H HN 0.120 nan 8.280 nan 0.000 0.501 146 L N -0.160 120.964 121.223 -0.166 0.000 2.083 146 L HA -0.154 4.238 4.340 0.087 0.000 0.209 146 L C 2.413 179.186 176.870 -0.161 0.000 1.083 146 L CA 0.995 55.712 54.840 -0.205 0.000 0.752 146 L CB -0.368 41.653 42.059 -0.064 0.000 0.899 146 L HN 0.321 nan 8.230 nan 0.000 0.433 147 L N -0.308 120.863 121.223 -0.087 0.000 2.362 147 L HA -0.006 4.386 4.340 0.087 0.000 0.219 147 L C 1.485 178.341 176.870 -0.023 0.000 1.134 147 L CA 0.733 55.539 54.840 -0.057 0.000 0.807 147 L CB -0.737 41.306 42.059 -0.028 0.000 0.927 147 L HN 0.530 nan 8.230 nan 0.000 0.447 148 G N 0.247 109.025 108.800 -0.036 0.000 2.149 148 G HA2 -0.287 3.725 3.960 0.087 0.000 0.235 148 G HA3 -0.287 3.725 3.960 0.087 0.000 0.235 148 G C 0.346 175.349 174.900 0.171 0.000 1.018 148 G CA 0.373 45.505 45.100 0.053 0.000 0.728 148 G HN 0.327 nan 8.290 nan 0.000 0.508 149 S N -0.402 115.366 115.700 0.113 0.000 2.552 149 S HA 0.252 4.774 4.470 0.087 0.000 0.289 149 S C 1.452 176.154 174.600 0.170 0.000 1.304 149 S CA 0.719 58.995 58.200 0.125 0.000 1.063 149 S CB 0.409 63.658 63.200 0.082 0.000 0.848 149 S HN 0.311 nan 8.310 nan 0.000 0.499 150 D N 3.169 123.675 120.400 0.178 0.000 2.201 150 D HA 0.119 4.811 4.640 0.087 0.000 0.209 150 D C 0.244 176.613 176.300 0.114 0.000 0.961 150 D CA 0.986 55.084 54.000 0.164 0.000 0.861 150 D CB 0.188 41.096 40.800 0.180 0.000 0.997 150 D HN 0.508 nan 8.370 nan 0.000 0.486 151 I N 2.137 122.712 120.570 0.008 0.000 2.382 151 I HA 0.152 4.374 4.170 0.087 0.000 0.285 151 I C -0.519 175.520 176.117 -0.131 0.000 1.007 151 I CA -0.600 60.609 61.300 -0.151 0.000 1.142 151 I CB 2.395 40.135 38.000 -0.433 0.000 1.289 151 I HN -0.352 nan 8.210 nan 0.000 0.453 152 V N 6.849 126.734 119.914 -0.048 0.000 2.432 152 V HA 0.361 4.533 4.120 0.087 0.000 0.275 152 V C 0.435 176.506 176.094 -0.038 0.000 1.043 152 V CA -0.484 61.832 62.300 0.027 0.000 0.925 152 V CB 1.402 33.347 31.823 0.203 0.000 0.985 152 V HN 0.578 nan 8.190 nan 0.000 0.466 153 M N 3.646 123.247 119.600 0.002 0.000 2.318 153 M HA 0.521 5.054 4.480 0.087 0.000 0.347 153 M C 0.381 176.713 176.300 0.053 0.000 1.175 153 M CA -0.472 54.834 55.300 0.011 0.000 1.075 153 M CB 1.243 33.859 32.600 0.027 0.000 1.614 153 M HN 0.721 nan 8.290 nan 0.000 0.456 154 A N 2.765 125.592 122.820 0.012 0.000 2.466 154 A HA 0.202 4.574 4.320 0.087 0.000 0.238 154 A C -0.494 177.179 177.584 0.150 0.000 1.074 154 A CA -0.157 51.926 52.037 0.077 0.000 0.774 154 A CB -0.090 18.887 19.000 -0.037 0.000 1.015 154 A HN 0.740 nan 8.150 nan 0.000 0.498 155 F N 2.847 122.838 119.950 0.068 0.000 2.444 155 F HA 0.376 4.954 4.527 0.086 0.000 0.360 155 F C 0.243 176.185 175.800 0.237 0.000 1.106 155 F CA -0.210 57.835 58.000 0.075 0.000 1.170 155 F CB 0.443 39.412 39.000 -0.052 0.000 1.113 155 F HN 0.743 nan 8.300 nan 0.000 0.521 156 D N 3.861 124.119 120.400 -0.236 0.000 2.585 156 D HA 0.235 4.928 4.640 0.087 0.000 0.254 156 D C -1.460 174.765 176.300 -0.124 0.000 1.067 156 D CA -0.807 53.173 54.000 -0.033 0.000 1.090 156 D CB 1.372 42.146 40.800 -0.042 0.000 1.408 156 D HN 0.578 nan 8.370 nan 0.000 0.554 157 E N -0.458 119.716 120.200 -0.044 0.000 2.129 157 E HA 0.359 4.762 4.350 0.087 0.000 0.268 157 E C -1.159 175.417 176.600 -0.040 0.000 0.900 157 E CA -0.845 55.519 56.400 -0.060 0.000 0.755 157 E CB 1.120 30.734 29.700 -0.143 0.000 1.117 157 E HN 0.501 nan 8.360 nan 0.000 0.410 158 C N 5.528 124.831 119.300 0.004 0.000 2.289 158 C HA 0.306 4.819 4.460 0.087 0.000 0.340 158 C C 0.335 175.350 174.990 0.042 0.000 1.152 158 C CA -0.326 58.735 59.018 0.071 0.000 1.650 158 C CB -1.314 26.601 27.740 0.292 0.000 2.203 158 C HN 0.710 nan 8.230 nan 0.000 0.511 159 T N 9.971 124.544 114.554 0.033 0.000 2.871 159 T HA 0.155 4.557 4.350 0.087 0.000 0.296 159 T C -1.874 172.865 174.700 0.064 0.000 0.998 159 T CA 0.018 62.140 62.100 0.036 0.000 1.162 159 T CB 0.249 69.148 68.868 0.052 0.000 0.947 159 T HN 0.691 nan 8.240 nan 0.000 0.536 160 P HA 0.115 nan 4.420 nan 0.000 0.269 160 P C -1.148 176.227 177.300 0.124 0.000 1.215 160 P CA -0.339 62.795 63.100 0.058 0.000 0.780 160 P CB 0.424 32.132 31.700 0.013 0.000 0.898 161 Y N 2.838 123.141 120.300 0.005 0.000 2.409 161 Y HA 0.476 5.078 4.550 0.087 0.000 0.343 161 Y C -2.082 173.822 175.900 0.006 0.000 0.973 161 Y CA -2.225 55.879 58.100 0.007 0.000 1.064 161 Y CB 1.157 39.615 38.460 -0.003 0.000 1.207 161 Y HN 0.334 nan 8.280 nan 0.000 0.452 162 P HA 0.594 nan 4.420 nan 0.000 0.276 162 P C -1.707 175.476 177.300 -0.195 0.000 1.252 162 P CA -0.511 62.107 63.100 -0.803 0.000 0.802 162 P CB 1.542 32.797 31.700 -0.743 0.000 1.035 163 A N 0.652 123.459 122.820 -0.021 0.000 2.414 163 A HA 0.609 4.981 4.320 0.087 0.000 0.306 163 A C 0.264 177.956 177.584 0.179 0.000 1.054 163 A CA -0.534 51.560 52.037 0.096 0.000 0.724 163 A CB 0.970 20.069 19.000 0.164 0.000 1.267 163 A HN 0.677 nan 8.150 nan 0.000 0.418 164 T N 0.362 114.963 114.554 0.078 0.000 2.860 164 T HA 0.370 4.772 4.350 0.087 0.000 0.299 164 T C -1.819 172.841 174.700 -0.066 0.000 1.045 164 T CA -0.923 61.197 62.100 0.033 0.000 1.071 164 T CB 0.526 69.380 68.868 -0.023 0.000 0.985 164 T HN 0.276 nan 8.240 nan 0.000 0.537 165 P HA -0.140 nan 4.420 nan 0.000 0.216 165 P C 1.977 179.107 177.300 -0.284 0.000 1.153 165 P CA 1.322 64.048 63.100 -0.624 0.000 0.858 165 P CB -0.110 31.191 31.700 -0.665 0.000 0.789 166 S N -0.813 114.783 115.700 -0.174 0.000 2.368 166 S HA -0.181 4.341 4.470 0.087 0.000 0.225 166 S C 2.086 176.639 174.600 -0.077 0.000 1.030 166 S CA 1.071 59.204 58.200 -0.112 0.000 0.999 166 S CB -0.554 62.596 63.200 -0.083 0.000 0.844 166 S HN -0.031 nan 8.310 nan 0.000 0.459 167 R N 0.558 121.025 120.500 -0.054 0.000 2.075 167 R HA 0.066 4.459 4.340 0.087 0.000 0.232 167 R C 2.710 179.005 176.300 -0.008 0.000 1.126 167 R CA 1.202 57.285 56.100 -0.028 0.000 0.963 167 R CB -0.862 29.432 30.300 -0.011 0.000 0.858 167 R HN 0.557 nan 8.270 nan 0.000 0.435 168 A N 1.214 124.050 122.820 0.026 0.000 1.902 168 A HA -0.106 4.266 4.320 0.087 0.000 0.217 168 A C 2.355 179.955 177.584 0.027 0.000 1.181 168 A CA 1.759 53.847 52.037 0.085 0.000 0.623 168 A CB -0.504 18.650 19.000 0.258 0.000 0.818 168 A HN 0.386 nan 8.150 nan 0.000 0.443 169 A N -0.655 122.148 122.820 -0.028 0.000 1.898 169 A HA -0.042 4.330 4.320 0.087 0.000 0.216 169 A C 2.437 179.990 177.584 -0.051 0.000 1.181 169 A CA 1.965 53.978 52.037 -0.040 0.000 0.620 169 A CB -0.893 18.065 19.000 -0.071 0.000 0.819 169 A HN 0.441 nan 8.150 nan 0.000 0.442 170 S N -0.353 115.312 115.700 -0.059 0.000 2.370 170 S HA -0.172 4.350 4.470 0.087 0.000 0.226 170 S C 2.345 176.882 174.600 -0.106 0.000 1.033 170 S CA 1.618 59.773 58.200 -0.074 0.000 1.011 170 S CB -0.380 62.781 63.200 -0.066 0.000 0.852 170 S HN 0.699 nan 8.310 nan 0.000 0.457 171 S N 0.991 116.635 115.700 -0.093 0.000 2.368 171 S HA -0.048 4.474 4.470 0.087 0.000 0.224 171 S C 1.975 176.491 174.600 -0.140 0.000 1.029 171 S CA 1.128 59.251 58.200 -0.128 0.000 0.988 171 S CB -0.380 62.775 63.200 -0.075 0.000 0.838 171 S HN 0.427 nan 8.310 nan 0.000 0.462 172 M N 1.396 120.951 119.600 -0.075 0.000 2.080 172 M HA -0.121 4.411 4.480 0.087 0.000 0.260 172 M C 1.790 178.041 176.300 -0.082 0.000 1.068 172 M CA 1.951 57.216 55.300 -0.057 0.000 1.109 172 M CB -1.133 31.462 32.600 -0.008 0.000 1.342 172 M HN 0.396 nan 8.290 nan 0.000 0.405 173 E N -0.291 119.857 120.200 -0.085 0.000 2.085 173 E HA -0.257 4.145 4.350 0.087 0.000 0.194 173 E C 2.149 178.662 176.600 -0.146 0.000 0.994 173 E CA 1.727 58.076 56.400 -0.085 0.000 0.801 173 E CB -0.331 29.326 29.700 -0.071 0.000 0.743 173 E HN 0.530 nan 8.360 nan 0.000 0.453 174 R N 0.559 120.907 120.500 -0.253 0.000 2.096 174 R HA -0.101 4.291 4.340 0.087 0.000 0.235 174 R C 2.244 178.193 176.300 -0.585 0.000 1.127 174 R CA 1.596 57.402 56.100 -0.490 0.000 0.968 174 R CB -0.074 29.825 30.300 -0.669 0.000 0.861 174 R HN -0.011 nan 8.270 nan 0.000 0.440 175 S N 0.399 115.879 115.700 -0.366 0.000 2.382 175 S HA -0.105 4.417 4.470 0.087 0.000 0.228 175 S C 1.842 176.451 174.600 0.015 0.000 1.027 175 S CA 1.328 59.437 58.200 -0.151 0.000 0.991 175 S CB -0.050 63.099 63.200 -0.085 0.000 0.823 175 S HN 0.300 nan 8.310 nan 0.000 0.469 176 M N 1.107 120.702 119.600 -0.008 0.000 2.175 176 M HA 0.030 4.562 4.480 0.087 0.000 0.264 176 M C 2.034 178.404 176.300 0.116 0.000 1.063 176 M CA 1.261 56.603 55.300 0.069 0.000 1.119 176 M CB -1.224 31.406 32.600 0.049 0.000 1.377 176 M HN 0.248 nan 8.290 nan 0.000 0.415 177 R N -0.956 119.584 120.500 0.068 0.000 2.091 177 R HA -0.193 4.199 4.340 0.087 0.000 0.238 177 R C 2.084 178.581 176.300 0.327 0.000 1.136 177 R CA 1.434 57.620 56.100 0.144 0.000 0.959 177 R CB -0.294 30.054 30.300 0.080 0.000 0.856 177 R HN 0.383 nan 8.270 nan 0.000 0.437 178 W N 0.392 121.762 121.300 0.117 0.000 2.425 178 W HA 0.054 4.766 4.660 0.087 0.000 0.277 178 W C 2.327 178.949 176.519 0.173 0.000 1.231 178 W CA 0.475 57.918 57.345 0.163 0.000 1.248 178 W CB -0.776 28.800 29.460 0.194 0.000 1.117 178 W HN 0.176 nan 8.180 nan 0.000 0.568 179 A N 0.223 123.268 122.820 0.375 0.000 1.930 179 A HA -0.198 4.174 4.320 0.087 0.000 0.217 179 A C 2.035 179.846 177.584 0.378 0.000 1.175 179 A CA 2.147 54.391 52.037 0.345 0.000 0.627 179 A CB -0.572 18.599 19.000 0.284 0.000 0.815 179 A HN 0.100 nan 8.150 nan 0.000 0.443 180 K N 0.262 120.830 120.400 0.280 0.000 2.057 180 K HA -0.043 4.329 4.320 0.087 0.000 0.206 180 K C 2.025 178.727 176.600 0.170 0.000 1.050 180 K CA 1.528 57.929 56.287 0.189 0.000 0.935 180 K CB -0.348 32.238 32.500 0.143 0.000 0.715 180 K HN 0.445 nan 8.250 nan 0.000 0.439 181 R N -0.108 120.514 120.500 0.202 0.000 2.120 181 R HA -0.025 4.367 4.340 0.087 0.000 0.234 181 R C 2.353 178.740 176.300 0.145 0.000 1.123 181 R CA 1.490 57.684 56.100 0.155 0.000 0.975 181 R CB -0.251 30.141 30.300 0.154 0.000 0.866 181 R HN 0.141 nan 8.270 nan 0.000 0.446 182 S N 0.554 116.373 115.700 0.199 0.000 2.348 182 S HA -0.162 4.360 4.470 0.087 0.000 0.221 182 S C 1.799 176.523 174.600 0.206 0.000 1.033 182 S CA 1.335 59.658 58.200 0.205 0.000 1.010 182 S CB -0.221 63.131 63.200 0.253 0.000 0.891 182 S HN 0.209 nan 8.310 nan 0.000 0.442 183 R N 1.857 122.472 120.500 0.192 0.000 2.113 183 R HA -0.145 4.247 4.340 0.087 0.000 0.244 183 R C 1.451 177.814 176.300 0.105 0.000 1.142 183 R CA 2.133 58.271 56.100 0.062 0.000 0.953 183 R CB -0.773 29.461 30.300 -0.111 0.000 0.860 183 R HN 0.269 nan 8.270 nan 0.000 0.438 184 D N -0.387 120.068 120.400 0.091 0.000 2.149 184 D HA -0.003 4.689 4.640 0.087 0.000 0.201 184 D C 1.733 178.083 176.300 0.083 0.000 0.972 184 D CA 1.461 55.505 54.000 0.073 0.000 0.835 184 D CB -0.414 40.419 40.800 0.054 0.000 0.966 184 D HN 0.380 nan 8.370 nan 0.000 0.476 185 A N 0.650 123.526 122.820 0.095 0.000 1.883 185 A HA -0.203 4.169 4.320 0.087 0.000 0.217 185 A C 2.134 179.774 177.584 0.093 0.000 1.186 185 A CA 1.162 53.242 52.037 0.071 0.000 0.624 185 A CB -1.121 17.920 19.000 0.068 0.000 0.822 185 A HN 0.255 nan 8.150 nan 0.000 0.444 186 F N 1.197 121.149 119.950 0.004 0.000 2.095 186 F HA -0.217 4.361 4.527 0.086 0.000 0.298 186 F C 1.739 177.527 175.800 -0.021 0.000 1.104 186 F CA 2.296 60.296 58.000 0.000 0.000 1.232 186 F CB -0.146 38.874 39.000 0.033 0.000 0.987 186 F HN 0.244 nan 8.300 nan 0.000 0.475 187 D N -0.381 120.143 120.400 0.207 0.000 2.219 187 D HA -0.137 4.555 4.640 0.087 0.000 0.205 187 D C 2.525 178.810 176.300 -0.024 0.000 0.970 187 D CA 1.342 55.395 54.000 0.087 0.000 0.851 187 D CB -0.495 40.366 40.800 0.102 0.000 0.943 187 D HN 0.429 nan 8.370 nan 0.000 0.488 188 S N 0.181 115.864 115.700 -0.028 0.000 2.382 188 S HA -0.172 4.351 4.470 0.087 0.000 0.228 188 S C 1.366 175.906 174.600 -0.101 0.000 1.027 188 S CA 0.306 58.476 58.200 -0.051 0.000 0.991 188 S CB -0.117 63.059 63.200 -0.039 0.000 0.823 188 S HN 0.073 nan 8.310 nan 0.000 0.469 189 R N 1.755 122.155 120.500 -0.165 0.000 2.308 189 R HA 0.400 4.792 4.340 0.087 0.000 0.325 189 R C 1.427 177.579 176.300 -0.247 0.000 1.161 189 R CA 0.487 56.443 56.100 -0.240 0.000 1.022 189 R CB 0.222 30.310 30.300 -0.354 0.000 1.091 189 R HN 0.433 nan 8.270 nan 0.000 0.497 190 K N 2.789 123.091 120.400 -0.164 0.000 2.097 190 K HA -0.175 4.198 4.320 0.087 0.000 0.206 190 K C 2.031 178.555 176.600 -0.128 0.000 1.049 190 K CA 1.956 58.168 56.287 -0.125 0.000 0.933 190 K CB -0.993 31.463 32.500 -0.074 0.000 0.717 190 K HN 0.785 nan 8.250 nan 0.000 0.442 191 E N 0.618 120.747 120.200 -0.118 0.000 2.106 191 E HA -0.242 4.160 4.350 0.087 0.000 0.192 191 E C 2.029 178.577 176.600 -0.086 0.000 0.984 191 E CA 1.601 57.966 56.400 -0.058 0.000 0.806 191 E CB -0.562 29.148 29.700 0.017 0.000 0.750 191 E HN 0.851 nan 8.360 nan 0.000 0.458 192 Q N -0.750 118.931 119.800 -0.199 0.000 2.049 192 Q HA 0.062 4.454 4.340 0.087 0.000 0.198 192 Q C 2.497 178.179 176.000 -0.529 0.000 0.971 192 Q CA 1.334 56.960 55.803 -0.295 0.000 0.833 192 Q CB -0.273 28.211 28.738 -0.422 0.000 0.896 192 Q HN 0.518 nan 8.270 nan 0.000 0.434 193 A N 0.704 123.156 122.820 -0.614 0.000 2.024 193 A HA -0.210 4.162 4.320 0.087 0.000 0.220 193 A C 1.629 179.157 177.584 -0.093 0.000 1.164 193 A CA 1.694 53.460 52.037 -0.451 0.000 0.643 193 A CB -0.384 18.484 19.000 -0.220 0.000 0.806 193 A HN 0.552 nan 8.150 nan 0.000 0.451 194 E N -0.946 119.208 120.200 -0.076 0.000 2.385 194 E HA 0.005 4.407 4.350 0.087 0.000 0.194 194 E C 0.910 177.535 176.600 0.041 0.000 1.013 194 E CA 0.438 56.840 56.400 0.004 0.000 0.866 194 E CB 0.091 29.787 29.700 -0.008 0.000 0.832 194 E HN 0.571 nan 8.360 nan 0.000 0.500 195 N N -0.408 118.313 118.700 0.035 0.000 2.257 195 N HA 0.140 4.932 4.740 0.087 0.000 0.200 195 N C -0.033 175.549 175.510 0.120 0.000 1.163 195 N CA 0.170 53.259 53.050 0.066 0.000 0.891 195 N CB 1.254 39.763 38.487 0.037 0.000 1.067 195 N HN -0.039 nan 8.380 nan 0.000 0.497 196 A N 0.499 123.413 122.820 0.158 0.000 2.309 196 A HA 0.878 5.250 4.320 0.087 0.000 0.317 196 A C -0.717 177.111 177.584 0.407 0.000 1.134 196 A CA -0.449 51.748 52.037 0.266 0.000 0.866 196 A CB 1.278 20.444 19.000 0.276 0.000 1.329 196 A HN 0.097 nan 8.150 nan 0.000 0.477 197 A N -0.641 122.364 122.820 0.307 0.000 2.354 197 A HA 0.737 5.109 4.320 0.087 0.000 0.321 197 A C -1.292 176.223 177.584 -0.115 0.000 1.125 197 A CA -0.446 51.636 52.037 0.076 0.000 0.799 197 A CB 1.192 20.130 19.000 -0.104 0.000 1.293 197 A HN 1.461 nan 8.150 nan 0.000 0.452 198 L N 1.324 122.321 121.223 -0.376 0.000 2.349 198 L HA 0.758 5.150 4.340 0.087 0.000 0.278 198 L C -1.846 175.062 176.870 0.064 0.000 0.996 198 L CA -0.248 54.354 54.840 -0.398 0.000 0.825 198 L CB 1.055 42.541 42.059 -0.954 0.000 1.243 198 L HN 0.526 nan 8.230 nan 0.000 0.412 199 F N 2.662 122.448 119.950 -0.273 0.000 2.443 199 F HA 0.748 5.328 4.527 0.088 0.000 0.335 199 F C 0.985 176.403 175.800 -0.636 0.000 1.104 199 F CA -1.087 56.688 58.000 -0.375 0.000 1.013 199 F CB 1.830 40.690 39.000 -0.233 0.000 1.136 199 F HN 0.552 nan 8.300 nan 0.000 0.470 200 G N 2.635 110.783 108.800 -1.086 0.000 2.451 200 G HA2 0.629 4.641 3.960 0.087 0.000 0.303 200 G HA3 0.629 4.641 3.960 0.087 0.000 0.303 200 G C -0.951 173.637 174.900 -0.518 0.000 1.166 200 G CA -0.587 43.695 45.100 -1.363 0.000 0.884 200 G HN 0.530 nan 8.290 nan 0.000 0.514 201 I N 0.741 121.112 120.570 -0.331 0.000 2.410 201 I HA 0.221 4.444 4.170 0.087 0.000 0.286 201 I C 0.177 176.234 176.117 -0.101 0.000 1.009 201 I CA -0.543 60.658 61.300 -0.165 0.000 1.111 201 I CB 1.950 39.869 38.000 -0.135 0.000 1.262 201 I HN 0.408 nan 8.210 nan 0.000 0.443 202 Q N 6.015 125.776 119.800 -0.065 0.000 2.314 202 Q HA 0.217 4.610 4.340 0.087 0.000 0.258 202 Q C -0.878 175.100 176.000 -0.037 0.000 0.954 202 Q CA -0.150 55.633 55.803 -0.033 0.000 0.890 202 Q CB 1.114 29.836 28.738 -0.025 0.000 1.210 202 Q HN 0.527 nan 8.270 nan 0.000 0.410 203 Q N 1.092 120.884 119.800 -0.014 0.000 2.814 203 Q HA 0.563 4.955 4.340 0.087 0.000 0.283 203 Q C 0.108 176.132 176.000 0.039 0.000 1.071 203 Q CA -0.042 55.763 55.803 0.003 0.000 0.849 203 Q CB 1.731 30.462 28.738 -0.011 0.000 1.437 203 Q HN 0.966 nan 8.270 nan 0.000 0.492 204 G N -0.333 108.509 108.800 0.070 0.000 2.164 204 G HA2 -0.187 3.825 3.960 0.087 0.000 0.154 204 G HA3 -0.187 3.825 3.960 0.087 0.000 0.154 204 G C 0.347 175.365 174.900 0.197 0.000 1.014 204 G CA 0.874 46.056 45.100 0.137 0.000 0.683 204 G HN 0.788 nan 8.290 nan 0.000 0.500 205 S N -2.186 113.590 115.700 0.127 0.000 3.938 205 S HA -0.369 4.154 4.470 0.087 0.000 0.624 205 S C 1.859 176.434 174.600 -0.042 0.000 2.186 205 S CA 3.463 61.709 58.200 0.075 0.000 4.144 205 S CB -1.206 62.101 63.200 0.177 0.000 0.230 205 S HN 2.011 nan 8.310 nan 0.000 0.755 206 V N -0.261 119.459 119.914 -0.324 0.000 3.444 206 V HA 0.539 4.711 4.120 0.087 0.000 0.308 206 V C 0.273 176.205 176.094 -0.270 0.000 1.371 206 V CA 0.269 62.387 62.300 -0.303 0.000 1.141 206 V CB -0.712 30.916 31.823 -0.326 0.000 1.037 206 V HN 0.460 nan 8.190 nan 0.000 0.433 207 F N 1.364 121.423 119.950 0.182 0.000 2.411 207 F HA 0.491 5.070 4.527 0.087 0.000 0.355 207 F C 1.605 177.406 175.800 0.001 0.000 1.117 207 F CA -0.701 57.347 58.000 0.079 0.000 1.139 207 F CB 1.388 40.406 39.000 0.029 0.000 1.120 207 F HN 0.109 nan 8.300 nan 0.000 0.493 208 E N 2.950 123.025 120.200 -0.208 0.000 2.070 208 E HA -0.295 4.107 4.350 0.087 0.000 0.197 208 E C 1.931 178.419 176.600 -0.186 0.000 1.004 208 E CA 2.009 58.036 56.400 -0.622 0.000 0.805 208 E CB 0.028 29.023 29.700 -1.177 0.000 0.744 208 E HN 0.748 nan 8.360 nan 0.000 0.451 209 N N 1.000 119.644 118.700 -0.093 0.000 2.166 209 N HA -0.199 4.593 4.740 0.087 0.000 0.186 209 N C 2.021 177.532 175.510 0.002 0.000 1.019 209 N CA 1.325 54.346 53.050 -0.048 0.000 0.856 209 N CB -0.640 37.820 38.487 -0.045 0.000 0.993 209 N HN 0.325 nan 8.380 nan 0.000 0.426 210 L N -0.085 121.171 121.223 0.055 0.000 2.109 210 L HA 0.064 4.456 4.340 0.087 0.000 0.207 210 L C 2.795 179.710 176.870 0.075 0.000 1.086 210 L CA 0.584 55.465 54.840 0.069 0.000 0.760 210 L CB -0.275 41.855 42.059 0.119 0.000 0.910 210 L HN 0.057 nan 8.230 nan 0.000 0.437 211 R N 0.143 120.709 120.500 0.110 0.000 2.091 211 R HA -0.213 4.179 4.340 0.087 0.000 0.238 211 R C 2.216 178.553 176.300 0.061 0.000 1.136 211 R CA 1.478 57.644 56.100 0.111 0.000 0.959 211 R CB -0.423 30.014 30.300 0.227 0.000 0.856 211 R HN 0.332 nan 8.270 nan 0.000 0.437 212 Q N 1.086 120.908 119.800 0.037 0.000 2.079 212 Q HA -0.128 4.264 4.340 0.087 0.000 0.200 212 Q C 1.938 177.941 176.000 0.006 0.000 0.974 212 Q CA 1.620 57.429 55.803 0.010 0.000 0.840 212 Q CB -0.006 28.724 28.738 -0.013 0.000 0.898 212 Q HN 0.368 nan 8.270 nan 0.000 0.430 213 Q N -0.865 118.940 119.800 0.010 0.000 2.124 213 Q HA -0.124 4.268 4.340 0.087 0.000 0.202 213 Q C 2.156 178.168 176.000 0.019 0.000 0.977 213 Q CA 1.391 57.200 55.803 0.010 0.000 0.850 213 Q CB -0.184 28.558 28.738 0.005 0.000 0.901 213 Q HN 0.340 nan 8.270 nan 0.000 0.429 214 S N 0.206 115.921 115.700 0.024 0.000 2.355 214 S HA -0.131 4.391 4.470 0.087 0.000 0.222 214 S C 2.031 176.650 174.600 0.032 0.000 1.031 214 S CA 1.003 59.220 58.200 0.029 0.000 0.993 214 S CB -0.230 62.986 63.200 0.026 0.000 0.859 214 S HN 0.452 nan 8.310 nan 0.000 0.453 215 A N 1.777 124.603 122.820 0.009 0.000 1.892 215 A HA -0.179 4.194 4.320 0.087 0.000 0.218 215 A C 1.879 179.456 177.584 -0.012 0.000 1.188 215 A CA 2.167 54.189 52.037 -0.025 0.000 0.631 215 A CB -1.130 17.836 19.000 -0.057 0.000 0.822 215 A HN 0.584 nan 8.150 nan 0.000 0.447 216 D N -0.009 120.391 120.400 0.001 0.000 2.123 216 D HA -0.083 4.609 4.640 0.087 0.000 0.196 216 D C 2.223 178.551 176.300 0.046 0.000 0.992 216 D CA 1.642 55.648 54.000 0.011 0.000 0.833 216 D CB -0.531 40.275 40.800 0.008 0.000 0.954 216 D HN 0.452 nan 8.370 nan 0.000 0.455 217 A N 0.552 123.409 122.820 0.061 0.000 1.933 217 A HA -0.097 4.275 4.320 0.087 0.000 0.218 217 A C 2.405 180.085 177.584 0.160 0.000 1.175 217 A CA 0.844 52.935 52.037 0.090 0.000 0.628 217 A CB -0.663 18.384 19.000 0.079 0.000 0.814 217 A HN 0.197 nan 8.150 nan 0.000 0.444 218 L N -1.004 120.338 121.223 0.197 0.000 2.072 218 L HA -0.124 4.269 4.340 0.087 0.000 0.205 218 L C 3.064 180.209 176.870 0.459 0.000 1.079 218 L CA 0.952 56.029 54.840 0.395 0.000 0.752 218 L CB -0.532 41.752 42.059 0.375 0.000 0.906 218 L HN 0.420 nan 8.230 nan 0.000 0.436 219 A N -0.064 122.895 122.820 0.233 0.000 1.969 219 A HA -0.234 4.139 4.320 0.087 0.000 0.218 219 A C 2.174 179.834 177.584 0.128 0.000 1.169 219 A CA 1.772 53.903 52.037 0.157 0.000 0.635 219 A CB -0.375 18.615 19.000 -0.016 0.000 0.810 219 A HN 0.379 nan 8.150 nan 0.000 0.445 220 E N 0.395 120.654 120.200 0.099 0.000 2.106 220 E HA -0.118 4.285 4.350 0.087 0.000 0.192 220 E C 1.641 178.265 176.600 0.039 0.000 0.984 220 E CA 1.383 57.819 56.400 0.059 0.000 0.806 220 E CB -0.381 29.350 29.700 0.052 0.000 0.750 220 E HN 0.648 nan 8.360 nan 0.000 0.458 221 I N -0.227 120.377 120.570 0.057 0.000 2.163 221 I HA 0.019 4.241 4.170 0.087 0.000 0.240 221 I C 1.043 177.030 176.117 -0.217 0.000 1.081 221 I CA 0.888 62.148 61.300 -0.066 0.000 1.353 221 I CB -0.413 37.561 38.000 -0.043 0.000 1.054 221 I HN 0.301 nan 8.210 nan 0.000 0.407 222 G N 0.725 109.432 108.800 -0.155 0.000 3.190 222 G HA2 -0.148 3.864 3.960 0.087 0.000 0.686 222 G HA3 -0.148 3.864 3.960 0.087 0.000 0.686 222 G C -0.865 173.699 174.900 -0.560 0.000 1.033 222 G CA -0.858 44.166 45.100 -0.126 0.000 0.797 222 G HN 0.069 nan 8.290 nan 0.000 0.567 223 F N 0.387 120.253 119.950 -0.140 0.000 2.650 223 F HA 0.548 5.127 4.527 0.087 0.000 0.320 223 F C 0.970 176.483 175.800 -0.478 0.000 1.091 223 F CA -0.937 56.810 58.000 -0.422 0.000 0.962 223 F CB 1.574 40.129 39.000 -0.742 0.000 1.363 223 F HN 0.351 nan 8.300 nan 0.000 0.482 224 D N 0.236 120.430 120.400 -0.344 0.000 2.289 224 D HA 0.207 4.899 4.640 0.087 0.000 0.207 224 D C 0.603 176.466 176.300 -0.728 0.000 0.966 224 D CA 0.882 54.543 54.000 -0.564 0.000 0.868 224 D CB 0.451 40.694 40.800 -0.929 0.000 0.943 224 D HN 0.594 nan 8.370 nan 0.000 0.514 225 G N -0.800 107.302 108.800 -1.164 0.000 2.677 225 G HA2 0.478 4.490 3.960 0.087 0.000 0.291 225 G HA3 0.478 4.490 3.960 0.087 0.000 0.291 225 G C -2.052 171.978 174.900 -1.450 0.000 1.435 225 G CA -0.724 43.339 45.100 -1.728 0.000 0.826 225 G HN -0.070 nan 8.290 nan 0.000 0.491 226 Y N 0.035 119.988 120.300 -0.579 0.000 2.346 226 Y HA 0.664 5.266 4.550 0.087 0.000 0.332 226 Y C 0.543 176.375 175.900 -0.113 0.000 0.985 226 Y CA -0.637 57.310 58.100 -0.255 0.000 1.112 226 Y CB 2.250 40.622 38.460 -0.147 0.000 1.170 226 Y HN 0.816 nan 8.280 nan 0.000 0.447 227 A N 2.317 125.152 122.820 0.024 0.000 2.293 227 A HA 0.726 5.099 4.320 0.087 0.000 0.302 227 A C -0.821 176.703 177.584 -0.101 0.000 1.119 227 A CA -0.684 51.330 52.037 -0.038 0.000 0.823 227 A CB 0.681 19.588 19.000 -0.154 0.000 1.097 227 A HN 0.538 nan 8.150 nan 0.000 0.491 228 V N 2.694 122.517 119.914 -0.152 0.000 2.334 228 V HA 0.492 4.664 4.120 0.087 0.000 0.267 228 V C 1.053 177.037 176.094 -0.182 0.000 1.040 228 V CA 0.345 62.561 62.300 -0.140 0.000 0.866 228 V CB 0.428 32.176 31.823 -0.125 0.000 1.019 228 V HN 1.099 nan 8.190 nan 0.000 0.468 229 G N 2.754 111.465 108.800 -0.149 0.000 2.557 229 G HA2 0.554 4.566 3.960 0.087 0.000 0.302 229 G HA3 0.554 4.566 3.960 0.087 0.000 0.302 229 G C 0.904 175.746 174.900 -0.097 0.000 1.311 229 G CA -0.062 44.945 45.100 -0.155 0.000 1.030 229 G HN 1.491 nan 8.290 nan 0.000 0.509 230 G N -1.986 106.774 108.800 -0.066 0.000 2.155 230 G HA2 -0.223 3.789 3.960 0.087 0.000 0.257 230 G HA3 -0.223 3.789 3.960 0.087 0.000 0.257 230 G C 0.275 175.150 174.900 -0.042 0.000 0.983 230 G CA 0.849 45.941 45.100 -0.013 0.000 0.676 230 G HN 0.571 nan 8.290 nan 0.000 0.528 231 L N -1.669 119.506 121.223 -0.081 0.000 2.267 231 L HA 0.738 5.130 4.340 0.087 0.000 0.264 231 L C 1.685 178.505 176.870 -0.082 0.000 1.021 231 L CA -0.714 54.064 54.840 -0.105 0.000 0.861 231 L CB 1.304 43.299 42.059 -0.106 0.000 1.443 231 L HN 1.146 nan 8.230 nan 0.000 0.475 232 A N 0.281 123.051 122.820 -0.083 0.000 2.745 232 A HA -0.127 4.246 4.320 0.087 0.000 0.296 232 A C 0.326 177.910 177.584 0.001 0.000 1.500 232 A CA 0.885 52.898 52.037 -0.040 0.000 0.766 232 A CB -2.197 16.790 19.000 -0.022 0.000 1.030 232 A HN 0.935 nan 8.150 nan 0.000 0.489 233 V N -4.630 115.266 119.914 -0.030 0.000 3.078 233 V HA 0.685 4.857 4.120 0.087 0.000 0.344 233 V C 1.346 177.466 176.094 0.044 0.000 1.409 233 V CA 0.552 62.884 62.300 0.052 0.000 1.146 233 V CB -0.205 31.677 31.823 0.098 0.000 1.126 233 V HN 2.394 nan 8.190 nan 0.000 0.513 234 G N 1.651 110.436 108.800 -0.024 0.000 2.175 234 G HA2 -0.218 3.794 3.960 0.087 0.000 0.182 234 G HA3 -0.218 3.794 3.960 0.087 0.000 0.182 234 G C 0.735 175.585 174.900 -0.083 0.000 1.003 234 G CA 0.304 45.412 45.100 0.013 0.000 0.666 234 G HN 0.694 nan 8.290 nan 0.000 0.506 235 E N 1.406 121.362 120.200 -0.407 0.000 2.418 235 E HA 0.351 4.753 4.350 0.087 0.000 0.197 235 E C 1.241 177.694 176.600 -0.244 0.000 1.026 235 E CA 1.276 57.304 56.400 -0.619 0.000 0.862 235 E CB -0.381 28.710 29.700 -1.013 0.000 0.799 235 E HN 2.056 nan 8.360 nan 0.000 0.518 236 G N 1.491 110.189 108.800 -0.169 0.000 2.721 236 G HA2 -0.301 3.711 3.960 0.087 0.000 0.686 236 G HA3 -0.301 3.711 3.960 0.087 0.000 0.686 236 G C 0.103 174.881 174.900 -0.203 0.000 1.236 236 G CA 0.080 45.099 45.100 -0.135 0.000 0.786 236 G HN 0.222 nan 8.290 nan 0.000 0.616 237 Q N -0.085 119.566 119.800 -0.248 0.000 2.084 237 Q HA -0.133 4.260 4.340 0.087 0.000 0.202 237 Q C 2.071 177.750 176.000 -0.536 0.000 0.978 237 Q CA 2.212 57.727 55.803 -0.481 0.000 0.844 237 Q CB -0.093 28.318 28.738 -0.545 0.000 0.898 237 Q HN 0.682 nan 8.270 nan 0.000 0.426 238 D N 0.109 120.334 120.400 -0.291 0.000 2.123 238 D HA -0.193 4.500 4.640 0.087 0.000 0.196 238 D C 1.704 177.950 176.300 -0.089 0.000 0.992 238 D CA 1.488 55.399 54.000 -0.149 0.000 0.833 238 D CB -0.110 40.647 40.800 -0.070 0.000 0.954 238 D HN 0.295 nan 8.370 nan 0.000 0.455 239 E N -0.105 120.026 120.200 -0.115 0.000 2.072 239 E HA -0.100 4.302 4.350 0.087 0.000 0.190 239 E C 1.945 178.471 176.600 -0.123 0.000 0.982 239 E CA 0.622 56.963 56.400 -0.098 0.000 0.803 239 E CB -0.216 29.415 29.700 -0.114 0.000 0.755 239 E HN 0.112 nan 8.360 nan 0.000 0.453 240 M N -0.338 119.166 119.600 -0.160 0.000 2.080 240 M HA -0.161 4.371 4.480 0.087 0.000 0.260 240 M C 1.429 177.761 176.300 0.053 0.000 1.068 240 M CA 1.503 56.740 55.300 -0.105 0.000 1.109 240 M CB -0.394 32.135 32.600 -0.119 0.000 1.342 240 M HN 0.175 nan 8.290 nan 0.000 0.405 241 F N 0.380 120.279 119.950 -0.084 0.000 2.171 241 F HA -0.153 4.425 4.527 0.086 0.000 0.300 241 F C 2.711 178.435 175.800 -0.127 0.000 1.090 241 F CA 1.406 59.362 58.000 -0.073 0.000 1.293 241 F CB -1.450 37.534 39.000 -0.027 0.000 1.013 241 F HN 0.313 nan 8.300 nan 0.000 0.486 242 R N 0.430 120.967 120.500 0.061 0.000 2.081 242 R HA -0.133 4.259 4.340 0.087 0.000 0.235 242 R C 2.063 178.150 176.300 -0.356 0.000 1.131 242 R CA 1.697 57.762 56.100 -0.059 0.000 0.960 242 R CB -0.409 29.886 30.300 -0.008 0.000 0.856 242 R HN 0.136 nan 8.270 nan 0.000 0.436 243 V N 1.338 121.003 119.914 -0.415 0.000 2.427 243 V HA -0.215 3.958 4.120 0.087 0.000 0.248 243 V C 2.376 178.007 176.094 -0.773 0.000 1.051 243 V CA 1.519 63.318 62.300 -0.835 0.000 1.048 243 V CB -0.392 31.196 31.823 -0.390 0.000 0.666 243 V HN 0.337 nan 8.190 nan 0.000 0.456 244 L N -0.196 120.822 121.223 -0.342 0.000 2.083 244 L HA -0.188 4.204 4.340 0.087 0.000 0.209 244 L C 2.429 179.160 176.870 -0.231 0.000 1.083 244 L CA 1.464 56.171 54.840 -0.223 0.000 0.752 244 L CB -0.816 41.205 42.059 -0.063 0.000 0.899 244 L HN 0.339 nan 8.230 nan 0.000 0.433 245 D N 0.425 120.690 120.400 -0.224 0.000 2.149 245 D HA -0.232 4.460 4.640 0.087 0.000 0.194 245 D C 1.876 178.147 176.300 -0.048 0.000 1.001 245 D CA 1.851 55.783 54.000 -0.113 0.000 0.849 245 D CB -0.185 40.584 40.800 -0.052 0.000 0.939 245 D HN 0.503 nan 8.370 nan 0.000 0.449 246 F N -0.653 119.296 119.950 -0.000 0.000 2.656 246 F HA 0.357 4.936 4.527 0.088 0.000 0.291 246 F C 2.183 177.966 175.800 -0.028 0.000 1.122 246 F CA -0.100 57.894 58.000 -0.009 0.000 1.427 246 F CB -0.496 38.504 39.000 -0.000 0.000 1.125 246 F HN -0.253 nan 8.300 nan 0.000 0.583 247 S N 0.984 116.662 115.700 -0.037 0.000 2.388 247 S HA -0.034 4.488 4.470 0.087 0.000 0.223 247 S C 2.165 176.731 174.600 -0.057 0.000 1.034 247 S CA 1.098 59.323 58.200 0.041 0.000 0.963 247 S CB -0.417 62.735 63.200 -0.079 0.000 0.827 247 S HN 0.236 nan 8.310 nan 0.000 0.481 248 V N 2.824 122.670 119.914 -0.114 0.000 2.343 248 V HA -0.078 4.094 4.120 0.087 0.000 0.247 248 V C -1.026 174.956 176.094 -0.187 0.000 1.051 248 V CA 1.524 63.708 62.300 -0.193 0.000 1.036 248 V CB -1.858 29.879 31.823 -0.145 0.000 0.654 248 V HN 0.328 nan 8.190 nan 0.000 0.451 249 P HA -0.092 nan 4.420 nan 0.000 0.228 249 P C 1.605 178.867 177.300 -0.062 0.000 1.151 249 P CA 1.250 64.323 63.100 -0.045 0.000 0.770 249 P CB -0.156 31.548 31.700 0.008 0.000 0.786 250 M N -1.897 117.659 119.600 -0.073 0.000 2.492 250 M HA 0.010 4.542 4.480 0.087 0.000 0.262 250 M C 0.645 176.851 176.300 -0.156 0.000 1.090 250 M CA 0.723 55.977 55.300 -0.076 0.000 1.110 250 M CB -0.387 32.191 32.600 -0.036 0.000 1.407 250 M HN -0.094 nan 8.290 nan 0.000 0.470 251 L N 0.537 121.611 121.223 -0.249 0.000 2.399 251 L HA 0.314 4.707 4.340 0.087 0.000 0.266 251 L C -2.082 174.623 176.870 -0.274 0.000 1.114 251 L CA -2.256 52.353 54.840 -0.386 0.000 0.804 251 L CB -0.280 41.458 42.059 -0.535 0.000 1.146 251 L HN -0.255 nan 8.230 nan 0.000 0.451 252 P HA -0.071 nan 4.420 nan 0.000 0.261 252 P C -0.053 177.327 177.300 0.132 0.000 1.183 252 P CA 0.340 63.375 63.100 -0.109 0.000 0.761 252 P CB 0.506 32.120 31.700 -0.143 0.000 0.785 253 D N 2.786 123.265 120.400 0.131 0.000 2.178 253 D HA -0.191 4.501 4.640 0.087 0.000 0.201 253 D C 1.036 177.448 176.300 0.186 0.000 0.980 253 D CA 1.267 55.383 54.000 0.195 0.000 0.842 253 D CB -0.040 40.827 40.800 0.112 0.000 0.948 253 D HN 0.390 nan 8.370 nan 0.000 0.472 254 D N -0.843 119.660 120.400 0.172 0.000 2.319 254 D HA -0.014 4.679 4.640 0.087 0.000 0.230 254 D C -0.149 176.361 176.300 0.350 0.000 1.094 254 D CA 0.109 54.228 54.000 0.198 0.000 0.856 254 D CB 0.039 40.919 40.800 0.132 0.000 0.915 254 D HN 0.033 nan 8.370 nan 0.000 0.517 255 K N 0.697 121.276 120.400 0.298 0.000 2.328 255 K HA 0.473 4.846 4.320 0.087 0.000 0.246 255 K C -2.876 173.575 176.600 -0.249 0.000 0.955 255 K CA -2.259 54.145 56.287 0.196 0.000 0.817 255 K CB 1.639 34.311 32.500 0.285 0.000 1.208 255 K HN -0.115 nan 8.250 nan 0.000 0.432 256 P HA 0.092 nan 4.420 nan 0.000 0.269 256 P C -0.873 176.252 177.300 -0.293 0.000 1.209 256 P CA 0.108 62.693 63.100 -0.859 0.000 0.776 256 P CB 0.342 31.607 31.700 -0.725 0.000 0.876 257 H N 1.652 120.620 119.070 -0.171 0.000 2.587 257 H HA 0.291 4.899 4.556 0.087 0.000 0.325 257 H C -0.915 174.394 175.328 -0.032 0.000 1.012 257 H CA -0.414 55.591 56.048 -0.071 0.000 1.213 257 H CB 0.322 30.047 29.762 -0.062 0.000 1.431 257 H HN 0.378 nan 8.280 nan 0.000 0.492 258 Y N 4.211 124.506 120.300 -0.008 0.000 2.328 258 Y HA 0.350 4.953 4.550 0.088 0.000 0.337 258 Y C -1.349 174.474 175.900 -0.128 0.000 0.966 258 Y CA -1.683 56.367 58.100 -0.084 0.000 1.136 258 Y CB 0.809 39.309 38.460 0.067 0.000 1.170 258 Y HN 0.492 nan 8.280 nan 0.000 0.470 259 L N 7.735 128.861 121.223 -0.160 0.000 2.255 259 L HA 0.453 4.846 4.340 0.087 0.000 0.289 259 L C -0.712 175.977 176.870 -0.301 0.000 1.046 259 L CA -0.336 54.364 54.840 -0.233 0.000 0.816 259 L CB 0.346 42.341 42.059 -0.106 0.000 1.197 259 L HN 0.704 nan 8.230 nan 0.000 0.427 260 M N 5.303 124.578 119.600 -0.542 0.000 2.188 260 M HA 0.293 4.825 4.480 0.087 0.000 0.354 260 M C 1.313 177.471 176.300 -0.237 0.000 1.342 260 M CA 0.668 55.634 55.300 -0.558 0.000 1.117 260 M CB 0.535 32.759 32.600 -0.626 0.000 1.670 260 M HN 0.894 nan 8.290 nan 0.000 0.466 261 G N 2.535 111.269 108.800 -0.110 0.000 2.159 261 G HA2 -0.177 3.835 3.960 0.087 0.000 0.256 261 G HA3 -0.177 3.835 3.960 0.087 0.000 0.256 261 G C -0.259 174.679 174.900 0.063 0.000 0.977 261 G CA -0.272 44.796 45.100 -0.054 0.000 0.652 261 G HN 0.573 nan 8.290 nan 0.000 0.531 262 V N 0.206 120.219 119.914 0.165 0.000 2.459 262 V HA 0.924 5.097 4.120 0.087 0.000 0.295 262 V C 0.806 177.148 176.094 0.414 0.000 1.029 262 V CA 0.635 63.096 62.300 0.268 0.000 0.874 262 V CB 1.166 33.181 31.823 0.319 0.000 0.985 262 V HN 1.522 nan 8.190 nan 0.000 0.438 263 G N 4.313 113.306 108.800 0.321 0.000 2.399 263 G HA2 0.203 4.215 3.960 0.087 0.000 0.256 263 G HA3 0.203 4.215 3.960 0.087 0.000 0.256 263 G C -1.139 173.865 174.900 0.174 0.000 1.236 263 G CA -0.955 44.271 45.100 0.210 0.000 0.914 263 G HN 0.515 nan 8.290 nan 0.000 0.482 264 K N 1.022 121.494 120.400 0.121 0.000 2.276 264 K HA 0.244 4.616 4.320 0.087 0.000 0.259 264 K C -1.650 174.878 176.600 -0.120 0.000 1.001 264 K CA -0.951 55.369 56.287 0.055 0.000 0.927 264 K CB 1.158 33.752 32.500 0.157 0.000 0.969 264 K HN 0.021 nan 8.250 nan 0.000 0.490 265 P HA -0.252 nan 4.420 nan 0.000 0.216 265 P C 0.563 177.666 177.300 -0.329 0.000 1.157 265 P CA 1.560 64.348 63.100 -0.520 0.000 0.880 265 P CB 0.075 31.432 31.700 -0.572 0.000 0.791 266 D N -1.031 119.321 120.400 -0.081 0.000 2.144 266 D HA -0.172 4.520 4.640 0.087 0.000 0.200 266 D C 1.280 177.727 176.300 0.244 0.000 0.978 266 D CA 1.141 55.268 54.000 0.211 0.000 0.833 266 D CB -1.140 39.947 40.800 0.480 0.000 0.961 266 D HN 0.153 nan 8.370 nan 0.000 0.470 267 D N 0.910 121.418 120.400 0.179 0.000 2.117 267 D HA -0.048 4.645 4.640 0.087 0.000 0.198 267 D C 2.436 178.868 176.300 0.219 0.000 0.982 267 D CA 0.410 54.575 54.000 0.276 0.000 0.828 267 D CB -0.131 40.775 40.800 0.176 0.000 0.967 267 D HN 0.332 nan 8.370 nan 0.000 0.464 268 I N 0.673 121.195 120.570 -0.079 0.000 2.127 268 I HA -0.256 3.966 4.170 0.087 0.000 0.241 268 I C 2.507 178.517 176.117 -0.177 0.000 1.075 268 I CA 0.769 61.794 61.300 -0.458 0.000 1.334 268 I CB -0.377 37.172 38.000 -0.751 0.000 1.040 268 I HN -0.112 nan 8.210 nan 0.000 0.405 269 V N 1.195 121.040 119.914 -0.114 0.000 2.287 269 V HA -0.268 3.905 4.120 0.087 0.000 0.248 269 V C 2.561 178.736 176.094 0.135 0.000 1.053 269 V CA 2.351 64.681 62.300 0.048 0.000 1.027 269 V CB -1.490 30.276 31.823 -0.095 0.000 0.646 269 V HN 0.617 nan 8.190 nan 0.000 0.447 270 G N -0.929 107.918 108.800 0.079 0.000 2.443 270 G HA2 -0.096 3.916 3.960 0.087 0.000 0.219 270 G HA3 -0.096 3.916 3.960 0.087 0.000 0.219 270 G C 1.686 176.394 174.900 -0.321 0.000 1.131 270 G CA 0.905 45.840 45.100 -0.274 0.000 0.775 270 G HN 0.620 nan 8.290 nan 0.000 0.547 271 A N 0.169 123.015 122.820 0.043 0.000 1.968 271 A HA 0.191 4.564 4.320 0.087 0.000 0.217 271 A C 2.523 180.254 177.584 0.244 0.000 1.169 271 A CA 1.401 53.548 52.037 0.185 0.000 0.638 271 A CB -0.381 18.926 19.000 0.513 0.000 0.812 271 A HN 0.206 nan 8.150 nan 0.000 0.446 272 V N 0.388 120.504 119.914 0.336 0.000 2.407 272 V HA -0.263 3.910 4.120 0.087 0.000 0.248 272 V C 2.245 178.456 176.094 0.195 0.000 1.055 272 V CA 2.168 64.615 62.300 0.244 0.000 1.049 272 V CB -0.850 31.057 31.823 0.140 0.000 0.662 272 V HN 0.631 nan 8.190 nan 0.000 0.455 273 E N -0.214 120.164 120.200 0.297 0.000 2.265 273 E HA -0.184 4.219 4.350 0.087 0.000 0.196 273 E C 2.035 178.694 176.600 0.098 0.000 0.996 273 E CA 0.793 57.359 56.400 0.277 0.000 0.832 273 E CB -0.078 29.696 29.700 0.123 0.000 0.756 273 E HN 0.534 nan 8.360 nan 0.000 0.491 274 R N -1.085 119.437 120.500 0.036 0.000 2.432 274 R HA 0.137 4.529 4.340 0.087 0.000 0.260 274 R C 0.699 177.027 176.300 0.045 0.000 0.935 274 R CA 0.444 56.545 56.100 0.001 0.000 1.080 274 R CB 1.171 31.424 30.300 -0.078 0.000 1.155 274 R HN 0.179 nan 8.270 nan 0.000 0.531 275 G N 0.823 109.678 108.800 0.091 0.000 2.148 275 G HA2 -0.174 3.838 3.960 0.087 0.000 0.203 275 G HA3 -0.174 3.838 3.960 0.087 0.000 0.203 275 G C -0.018 174.996 174.900 0.191 0.000 0.993 275 G CA -0.654 44.531 45.100 0.142 0.000 0.661 275 G HN 0.070 nan 8.290 nan 0.000 0.518 276 I N 1.409 122.045 120.570 0.110 0.000 2.519 276 I HA 0.311 4.534 4.170 0.087 0.000 0.287 276 I C 0.481 176.566 176.117 -0.053 0.000 1.047 276 I CA -0.241 61.058 61.300 -0.002 0.000 1.381 276 I CB 1.181 39.087 38.000 -0.157 0.000 1.417 276 I HN 0.045 nan 8.210 nan 0.000 0.540 277 D N 4.956 125.278 120.400 -0.130 0.000 2.423 277 D HA 0.216 4.908 4.640 0.087 0.000 0.208 277 D C 0.244 176.475 176.300 -0.116 0.000 1.068 277 D CA 0.701 54.651 54.000 -0.082 0.000 0.860 277 D CB 1.096 41.822 40.800 -0.124 0.000 0.992 277 D HN 0.411 nan 8.370 nan 0.000 0.504 278 M N 0.093 119.493 119.600 -0.333 0.000 2.421 278 M HA 0.418 4.951 4.480 0.087 0.000 0.287 278 M C -1.636 174.422 176.300 -0.404 0.000 1.183 278 M CA -0.530 54.632 55.300 -0.231 0.000 0.916 278 M CB 3.048 35.535 32.600 -0.188 0.000 1.701 278 M HN -0.301 nan 8.290 nan 0.000 0.470 279 F N 0.222 120.229 119.950 0.095 0.000 2.601 279 F HA 0.554 5.133 4.527 0.086 0.000 0.309 279 F C -0.938 174.786 175.800 -0.127 0.000 1.089 279 F CA -0.769 57.322 58.000 0.152 0.000 0.940 279 F CB 2.081 41.247 39.000 0.278 0.000 1.273 279 F HN 0.601 nan 8.300 nan 0.000 0.450 280 D N 0.262 120.751 120.400 0.148 0.000 2.879 280 D HA 0.588 5.281 4.640 0.087 0.000 0.236 280 D C -1.603 174.702 176.300 0.008 0.000 1.171 280 D CA -0.424 53.460 54.000 -0.194 0.000 0.868 280 D CB 1.936 42.691 40.800 -0.076 0.000 1.598 280 D HN 0.700 nan 8.370 nan 0.000 0.497 281 C N 2.393 121.694 119.300 0.003 0.000 2.888 281 C HA 0.538 5.050 4.460 0.087 0.000 0.308 281 C C 0.665 175.693 174.990 0.063 0.000 1.213 281 C CA -0.618 58.483 59.018 0.139 0.000 1.461 281 C CB 1.617 29.510 27.740 0.256 0.000 1.934 281 C HN 0.730 nan 8.230 nan 0.000 0.474 282 V N 5.205 125.145 119.914 0.044 0.000 3.649 282 V HA 0.077 4.249 4.120 0.087 0.000 0.275 282 V C 1.432 177.559 176.094 0.054 0.000 1.281 282 V CA 1.373 63.688 62.300 0.026 0.000 1.143 282 V CB -0.329 31.506 31.823 0.019 0.000 0.892 282 V HN 0.872 nan 8.190 nan 0.000 0.441 283 L N 2.264 123.538 121.223 0.085 0.000 1.989 283 L HA 0.005 4.398 4.340 0.087 0.000 0.211 283 L C -0.108 176.884 176.870 0.203 0.000 1.071 283 L CA 2.769 57.705 54.840 0.159 0.000 0.749 283 L CB -1.438 40.752 42.059 0.218 0.000 0.890 283 L HN 0.276 nan 8.230 nan 0.000 0.431 284 P HA -0.140 nan 4.420 nan 0.000 0.219 284 P C 1.305 178.675 177.300 0.117 0.000 1.146 284 P CA 2.242 65.434 63.100 0.153 0.000 0.808 284 P CB -0.348 31.137 31.700 -0.358 0.000 0.779 285 T N -2.611 111.972 114.554 0.050 0.000 2.781 285 T HA 0.022 4.425 4.350 0.087 0.000 0.252 285 T C 2.338 177.059 174.700 0.034 0.000 1.039 285 T CA 1.284 63.403 62.100 0.032 0.000 1.147 285 T CB -1.367 67.501 68.868 -0.000 0.000 0.865 285 T HN 0.029 nan 8.240 nan 0.000 0.423 286 R N 2.298 122.821 120.500 0.039 0.000 2.132 286 R HA -0.115 4.277 4.340 0.087 0.000 0.233 286 R C 2.871 179.194 176.300 0.039 0.000 1.125 286 R CA 2.877 59.000 56.100 0.038 0.000 0.914 286 R CB -1.963 28.368 30.300 0.051 0.000 0.845 286 R HN 0.802 nan 8.270 nan 0.000 0.431 287 S N -0.761 114.982 115.700 0.073 0.000 2.507 287 S HA 0.093 4.615 4.470 0.087 0.000 0.235 287 S C 2.221 176.814 174.600 -0.012 0.000 0.988 287 S CA 1.120 59.346 58.200 0.043 0.000 0.944 287 S CB -0.399 62.860 63.200 0.099 0.000 0.762 287 S HN 0.838 nan 8.310 nan 0.000 0.526 288 G N 2.009 110.820 108.800 0.019 0.000 2.411 288 G HA2 0.002 4.015 3.960 0.087 0.000 0.213 288 G HA3 0.002 4.015 3.960 0.087 0.000 0.213 288 G C 1.696 176.575 174.900 -0.036 0.000 1.166 288 G CA -0.102 44.992 45.100 -0.009 0.000 0.802 288 G HN 0.559 nan 8.290 nan 0.000 0.533 289 R N 0.534 121.020 120.500 -0.025 0.000 2.237 289 R HA -0.016 4.377 4.340 0.087 0.000 0.219 289 R C 1.866 178.134 176.300 -0.053 0.000 1.080 289 R CA 1.042 57.116 56.100 -0.044 0.000 0.995 289 R CB -0.254 30.027 30.300 -0.033 0.000 0.875 289 R HN 0.326 nan 8.270 nan 0.000 0.462 290 N N 0.328 119.001 118.700 -0.046 0.000 2.463 290 N HA -0.050 4.743 4.740 0.087 0.000 0.181 290 N C 0.941 176.411 175.510 -0.066 0.000 1.078 290 N CA 1.093 54.115 53.050 -0.048 0.000 0.902 290 N CB 0.521 38.990 38.487 -0.030 0.000 0.970 290 N HN 0.333 nan 8.380 nan 0.000 0.451 291 G N -0.375 108.375 108.800 -0.084 0.000 2.184 291 G HA2 -0.251 3.761 3.960 0.087 0.000 0.206 291 G HA3 -0.251 3.761 3.960 0.087 0.000 0.206 291 G C -0.204 174.612 174.900 -0.140 0.000 0.995 291 G CA 0.114 45.152 45.100 -0.103 0.000 0.651 291 G HN 0.574 nan 8.290 nan 0.000 0.511 292 Q N 0.733 120.436 119.800 -0.163 0.000 2.294 292 Q HA 0.668 5.060 4.340 0.087 0.000 0.257 292 Q C 0.130 175.907 176.000 -0.372 0.000 0.955 292 Q CA 0.251 55.885 55.803 -0.282 0.000 0.936 292 Q CB 0.851 29.397 28.738 -0.319 0.000 1.188 292 Q HN 0.839 nan 8.270 nan 0.000 0.420 293 A N 4.430 127.005 122.820 -0.409 0.000 2.318 293 A HA 0.584 4.956 4.320 0.087 0.000 0.324 293 A C -1.257 176.012 177.584 -0.526 0.000 1.170 293 A CA -0.610 51.221 52.037 -0.344 0.000 0.810 293 A CB 0.501 19.330 19.000 -0.285 0.000 1.198 293 A HN 0.739 nan 8.150 nan 0.000 0.484 294 F N 1.652 121.457 119.950 -0.242 0.000 2.412 294 F HA 0.525 5.102 4.527 0.083 0.000 0.348 294 F C 1.349 176.610 175.800 -0.897 0.000 1.102 294 F CA 0.638 58.248 58.000 -0.650 0.000 1.196 294 F CB 1.774 40.235 39.000 -0.898 0.000 1.144 294 F HN 0.669 nan 8.300 nan 0.000 0.541 295 T N -1.810 112.348 114.554 -0.659 0.000 2.865 295 T HA 0.270 4.672 4.350 0.087 0.000 0.294 295 T C 0.052 174.619 174.700 -0.221 0.000 1.119 295 T CA -0.888 60.936 62.100 -0.461 0.000 1.007 295 T CB 0.807 69.564 68.868 -0.184 0.000 1.225 295 T HN 0.589 nan 8.240 nan 0.000 0.515 296 W N 0.167 121.635 121.300 0.281 0.000 2.699 296 W HA 0.162 4.874 4.660 0.086 0.000 0.249 296 W C 1.069 177.642 176.519 0.091 0.000 1.280 296 W CA -0.095 57.459 57.345 0.350 0.000 1.345 296 W CB 0.188 29.825 29.460 0.295 0.000 1.128 296 W HN 0.654 nan 8.180 nan 0.000 0.642 297 D N -0.176 120.305 120.400 0.136 0.000 2.325 297 D HA 0.243 4.935 4.640 0.087 0.000 0.225 297 D C 1.193 177.290 176.300 -0.338 0.000 1.096 297 D CA 0.964 54.920 54.000 -0.074 0.000 0.844 297 D CB 0.057 40.846 40.800 -0.019 0.000 0.925 297 D HN 0.115 nan 8.370 nan 0.000 0.513 298 G N 2.122 110.537 108.800 -0.642 0.000 2.655 298 G HA2 -0.163 3.849 3.960 0.087 0.000 0.680 298 G HA3 -0.163 3.849 3.960 0.087 0.000 0.680 298 G C -2.961 171.603 174.900 -0.560 0.000 1.302 298 G CA -1.151 43.291 45.100 -1.096 0.000 0.872 298 G HN -0.093 nan 8.290 nan 0.000 0.540 299 P HA 0.545 nan 4.420 nan 0.000 0.275 299 P C 0.156 177.284 177.300 -0.286 0.000 1.228 299 P CA -0.126 62.744 63.100 -0.383 0.000 0.786 299 P CB 0.773 32.263 31.700 -0.349 0.000 0.927 300 I N -1.347 119.044 120.570 -0.298 0.000 2.740 300 I HA 0.553 4.775 4.170 0.087 0.000 0.303 300 I C -0.423 175.586 176.117 -0.180 0.000 1.044 300 I CA -1.052 60.143 61.300 -0.174 0.000 1.064 300 I CB 2.308 40.178 38.000 -0.217 0.000 1.249 300 I HN 0.091 nan 8.210 nan 0.000 0.433 301 N N 3.772 122.459 118.700 -0.021 0.000 2.485 301 N HA 0.220 5.012 4.740 0.087 0.000 0.243 301 N C 0.354 175.900 175.510 0.061 0.000 0.987 301 N CA -0.366 52.670 53.050 -0.024 0.000 0.940 301 N CB 1.609 40.104 38.487 0.014 0.000 1.122 301 N HN 0.842 nan 8.380 nan 0.000 0.509 302 I N 4.232 124.737 120.570 -0.108 0.000 2.700 302 I HA -0.076 4.146 4.170 0.087 0.000 0.261 302 I C 2.019 178.277 176.117 0.236 0.000 1.219 302 I CA 0.952 62.182 61.300 -0.116 0.000 1.463 302 I CB 0.000 37.868 38.000 -0.220 0.000 1.092 302 I HN 0.481 nan 8.210 nan 0.000 0.452 303 R N 0.315 120.900 120.500 0.142 0.000 2.235 303 R HA -0.051 4.342 4.340 0.087 0.000 0.213 303 R C 0.930 177.401 176.300 0.286 0.000 1.059 303 R CA 0.020 56.181 56.100 0.102 0.000 0.997 303 R CB -0.516 29.775 30.300 -0.014 0.000 0.884 303 R HN 0.390 nan 8.270 nan 0.000 0.462 304 N N 1.042 119.943 118.700 0.335 0.000 2.412 304 N HA -0.080 4.712 4.740 0.087 0.000 0.254 304 N C 0.729 176.344 175.510 0.175 0.000 1.232 304 N CA 0.377 53.548 53.050 0.202 0.000 0.880 304 N CB 1.187 39.736 38.487 0.104 0.000 1.076 304 N HN 0.092 nan 8.380 nan 0.000 0.458 305 A N 4.966 127.830 122.820 0.075 0.000 2.076 305 A HA -0.211 4.161 4.320 0.087 0.000 0.220 305 A C 2.014 179.479 177.584 -0.198 0.000 1.160 305 A CA 1.565 53.605 52.037 0.005 0.000 0.653 305 A CB -0.388 18.613 19.000 0.001 0.000 0.801 305 A HN 0.911 nan 8.150 nan 0.000 0.455 306 R N -1.908 118.395 120.500 -0.329 0.000 2.241 306 R HA -0.046 4.347 4.340 0.087 0.000 0.224 306 R C 0.614 176.568 176.300 -0.577 0.000 1.101 306 R CA 1.482 57.293 56.100 -0.482 0.000 0.995 306 R CB -0.501 29.425 30.300 -0.623 0.000 0.870 306 R HN 0.405 nan 8.270 nan 0.000 0.463 307 F N 1.528 121.335 119.950 -0.237 0.000 2.727 307 F HA 0.180 4.761 4.527 0.091 0.000 0.302 307 F C 2.145 177.675 175.800 -0.451 0.000 1.097 307 F CA 0.159 57.999 58.000 -0.266 0.000 1.330 307 F CB 0.503 39.414 39.000 -0.148 0.000 1.084 307 F HN 0.122 nan 8.300 nan 0.000 0.578 308 S N -0.303 115.093 115.700 -0.507 0.000 2.447 308 S HA -0.114 4.408 4.470 0.087 0.000 0.233 308 S C 1.086 175.612 174.600 -0.124 0.000 1.006 308 S CA 1.135 59.037 58.200 -0.498 0.000 0.957 308 S CB -0.300 62.737 63.200 -0.272 0.000 0.773 308 S HN 0.533 nan 8.310 nan 0.000 0.507 309 E N 0.540 120.694 120.200 -0.077 0.000 2.876 309 E HA 0.190 4.592 4.350 0.087 0.000 0.208 309 E C -1.185 175.423 176.600 0.013 0.000 0.981 309 E CA -0.250 56.142 56.400 -0.013 0.000 1.174 309 E CB 0.447 30.136 29.700 -0.019 0.000 1.047 309 E HN 0.304 nan 8.360 nan 0.000 0.477 310 D N 1.294 121.717 120.400 0.039 0.000 2.365 310 D HA 0.104 4.797 4.640 0.087 0.000 0.237 310 D C 0.739 177.089 176.300 0.082 0.000 1.190 310 D CA -0.126 53.921 54.000 0.079 0.000 0.867 310 D CB 0.937 41.843 40.800 0.176 0.000 1.050 310 D HN 0.172 nan 8.370 nan 0.000 0.491 311 L N 2.949 124.208 121.223 0.061 0.000 2.554 311 L HA 0.058 4.450 4.340 0.087 0.000 0.226 311 L C 1.263 178.166 176.870 0.055 0.000 1.137 311 L CA 0.317 55.192 54.840 0.059 0.000 0.863 311 L CB -0.109 41.973 42.059 0.038 0.000 0.985 311 L HN 0.129 nan 8.230 nan 0.000 0.451 312 K N 1.265 121.698 120.400 0.055 0.000 2.219 312 K HA 0.165 4.538 4.320 0.087 0.000 0.258 312 K C -2.132 174.489 176.600 0.035 0.000 1.008 312 K CA -1.694 54.619 56.287 0.044 0.000 0.928 312 K CB 0.040 32.567 32.500 0.045 0.000 0.983 312 K HN -0.166 nan 8.250 nan 0.000 0.484 313 P HA -0.024 nan 4.420 nan 0.000 0.273 313 P C 0.751 178.013 177.300 -0.063 0.000 1.250 313 P CA -0.066 63.039 63.100 0.010 0.000 0.793 313 P CB 0.528 32.246 31.700 0.029 0.000 1.011 314 L N -1.028 120.097 121.223 -0.162 0.000 2.021 314 L HA -0.139 4.254 4.340 0.087 0.000 0.215 314 L C 1.462 178.191 176.870 -0.234 0.000 1.074 314 L CA 1.776 56.419 54.840 -0.328 0.000 0.760 314 L CB -0.465 41.185 42.059 -0.681 0.000 0.889 314 L HN 0.524 nan 8.230 nan 0.000 0.433 315 D N -1.671 118.661 120.400 -0.115 0.000 2.738 315 D HA 0.106 4.799 4.640 0.087 0.000 0.237 315 D C 0.593 176.959 176.300 0.110 0.000 1.123 315 D CA 0.244 54.272 54.000 0.047 0.000 0.856 315 D CB 2.038 42.943 40.800 0.175 0.000 1.552 315 D HN -0.019 nan 8.370 nan 0.000 0.480 316 S N 2.188 117.969 115.700 0.135 0.000 2.453 316 S HA -0.054 4.468 4.470 0.087 0.000 0.231 316 S C 1.044 175.710 174.600 0.111 0.000 1.005 316 S CA 0.717 58.983 58.200 0.109 0.000 0.949 316 S CB 0.050 63.310 63.200 0.100 0.000 0.774 316 S HN 0.598 nan 8.310 nan 0.000 0.510 317 E N -0.275 120.031 120.200 0.177 0.000 2.447 317 E HA 0.205 4.608 4.350 0.087 0.000 0.204 317 E C 0.373 176.894 176.600 -0.132 0.000 0.977 317 E CA -0.310 56.127 56.400 0.061 0.000 0.950 317 E CB 0.555 30.321 29.700 0.109 0.000 0.975 317 E HN 0.490 nan 8.360 nan 0.000 0.496 318 C N 2.415 121.776 119.300 0.102 0.000 2.563 318 C HA -0.050 4.462 4.460 0.087 0.000 0.411 318 C C 1.461 176.418 174.990 -0.055 0.000 1.386 318 C CA -0.063 59.013 59.018 0.097 0.000 1.703 318 C CB -0.277 27.669 27.740 0.344 0.000 2.596 318 C HN 0.438 nan 8.230 nan 0.000 0.605 319 H N 3.660 122.858 119.070 0.214 0.000 2.551 319 H HA 0.108 4.714 4.556 0.084 0.000 0.271 319 H C 1.449 176.867 175.328 0.150 0.000 0.984 319 H CA 0.657 56.795 56.048 0.151 0.000 1.164 319 H CB -0.712 29.122 29.762 0.119 0.000 1.437 319 H HN 0.899 nan 8.280 nan 0.000 0.550 320 C N 0.419 119.874 119.300 0.259 0.000 2.705 320 C HA 0.508 5.020 4.460 0.087 0.000 0.382 320 C C 2.262 177.382 174.990 0.217 0.000 1.322 320 C CA 0.060 59.220 59.018 0.237 0.000 2.290 320 C CB 0.619 28.515 27.740 0.259 0.000 2.650 320 C HN 0.443 nan 8.230 nan 0.000 0.695 321 A N 1.765 124.710 122.820 0.207 0.000 2.015 321 A HA 0.034 4.406 4.320 0.087 0.000 0.219 321 A C 2.055 179.792 177.584 0.256 0.000 1.163 321 A CA 1.878 54.028 52.037 0.188 0.000 0.646 321 A CB -0.779 18.340 19.000 0.199 0.000 0.806 321 A HN 1.007 nan 8.150 nan 0.000 0.448 322 V N -1.082 119.045 119.914 0.354 0.000 2.358 322 V HA -0.283 3.889 4.120 0.087 0.000 0.246 322 V C 2.500 178.801 176.094 0.346 0.000 1.047 322 V CA 2.022 64.620 62.300 0.498 0.000 1.035 322 V CB -1.003 31.048 31.823 0.379 0.000 0.658 322 V HN 0.687 nan 8.190 nan 0.000 0.452 323 C N -0.179 119.261 119.300 0.234 0.000 2.448 323 C HA -0.037 4.476 4.460 0.087 0.000 0.280 323 C C 3.280 178.324 174.990 0.090 0.000 1.398 323 C CA 0.943 60.048 59.018 0.145 0.000 1.774 323 C CB -1.286 26.544 27.740 0.150 0.000 1.888 323 C HN 0.722 nan 8.230 nan 0.000 0.519 324 Q N 0.813 120.657 119.800 0.074 0.000 2.167 324 Q HA -0.156 4.236 4.340 0.087 0.000 0.202 324 Q C 1.804 177.730 176.000 -0.123 0.000 0.970 324 Q CA 1.953 57.753 55.803 -0.004 0.000 0.855 324 Q CB -0.405 28.334 28.738 0.002 0.000 0.911 324 Q HN 0.827 nan 8.270 nan 0.000 0.438 325 K N -2.693 117.561 120.400 -0.244 0.000 2.436 325 K HA 0.206 4.578 4.320 0.087 0.000 0.198 325 K C -0.115 176.075 176.600 -0.684 0.000 1.174 325 K CA -0.236 55.654 56.287 -0.661 0.000 0.951 325 K CB 1.009 32.670 32.500 -1.399 0.000 1.040 325 K HN 0.465 nan 8.250 nan 0.000 0.536 326 W N 1.666 122.997 121.300 0.053 0.000 2.864 326 W HA 0.350 5.035 4.660 0.041 0.000 0.343 326 W C 0.064 176.627 176.519 0.073 0.000 1.109 326 W CA -1.113 56.278 57.345 0.077 0.000 1.192 326 W CB 1.546 31.120 29.460 0.191 0.000 1.426 326 W HN -0.128 nan 8.180 nan 0.000 0.529 327 S N 0.827 116.717 115.700 0.317 0.000 2.632 327 S HA 0.368 4.890 4.470 0.087 0.000 0.271 327 S C 1.048 175.762 174.600 0.191 0.000 1.260 327 S CA -0.449 57.871 58.200 0.201 0.000 1.010 327 S CB 1.961 65.258 63.200 0.161 0.000 0.965 327 S HN 0.496 nan 8.310 nan 0.000 0.534 328 R N 0.905 121.456 120.500 0.086 0.000 2.103 328 R HA -0.163 4.229 4.340 0.087 0.000 0.242 328 R C 2.569 178.944 176.300 0.125 0.000 1.142 328 R CA 1.741 57.855 56.100 0.024 0.000 0.960 328 R CB -1.102 29.177 30.300 -0.035 0.000 0.858 328 R HN 0.850 nan 8.270 nan 0.000 0.439 329 A N 0.081 122.998 122.820 0.161 0.000 1.902 329 A HA -0.227 4.145 4.320 0.087 0.000 0.217 329 A C 1.986 179.748 177.584 0.298 0.000 1.181 329 A CA 1.347 53.495 52.037 0.186 0.000 0.623 329 A CB -0.694 18.387 19.000 0.135 0.000 0.818 329 A HN 0.472 nan 8.150 nan 0.000 0.443 330 Y N 0.325 120.723 120.300 0.164 0.000 2.200 330 Y HA -0.093 4.504 4.550 0.078 0.000 0.290 330 Y C 1.925 177.920 175.900 0.158 0.000 1.137 330 Y CA 1.428 59.640 58.100 0.187 0.000 1.163 330 Y CB -0.279 38.297 38.460 0.194 0.000 0.988 330 Y HN 0.262 nan 8.280 nan 0.000 0.518 331 I N -0.686 119.903 120.570 0.033 0.000 2.353 331 I HA -0.275 3.947 4.170 0.087 0.000 0.248 331 I C 2.394 178.446 176.117 -0.108 0.000 1.119 331 I CA 1.541 62.746 61.300 -0.160 0.000 1.417 331 I CB -0.553 37.392 38.000 -0.091 0.000 1.078 331 I HN 0.270 nan 8.210 nan 0.000 0.421 332 H N 0.557 119.588 119.070 -0.064 0.000 2.289 332 H HA -0.332 4.275 4.556 0.086 0.000 0.296 332 H C 2.374 177.687 175.328 -0.025 0.000 1.091 332 H CA 2.579 58.618 56.048 -0.015 0.000 1.274 332 H CB -0.225 29.589 29.762 0.087 0.000 1.364 332 H HN 0.434 nan 8.280 nan 0.000 0.490 333 H N -0.102 118.956 119.070 -0.020 0.000 2.321 333 H HA -0.096 4.511 4.556 0.085 0.000 0.300 333 H C 2.268 177.471 175.328 -0.207 0.000 1.087 333 H CA 2.133 58.127 56.048 -0.090 0.000 1.319 333 H CB -0.508 29.269 29.762 0.025 0.000 1.379 333 H HN 0.425 nan 8.280 nan 0.000 0.501 334 L N -0.187 120.684 121.223 -0.587 0.000 2.012 334 L HA -0.171 4.221 4.340 0.087 0.000 0.210 334 L C 2.418 179.031 176.870 -0.428 0.000 1.073 334 L CA 0.988 55.453 54.840 -0.625 0.000 0.748 334 L CB -0.410 41.303 42.059 -0.576 0.000 0.891 334 L HN 0.362 nan 8.230 nan 0.000 0.431 335 I N -0.414 119.956 120.570 -0.334 0.000 2.252 335 I HA -0.210 4.012 4.170 0.087 0.000 0.245 335 I C 2.737 178.703 176.117 -0.252 0.000 1.102 335 I CA 1.310 62.459 61.300 -0.252 0.000 1.385 335 I CB -1.062 36.817 38.000 -0.201 0.000 1.064 335 I HN 0.309 nan 8.210 nan 0.000 0.414 336 R N 0.816 121.128 120.500 -0.313 0.000 2.105 336 R HA -0.122 4.270 4.340 0.087 0.000 0.239 336 R C 1.987 178.156 176.300 -0.218 0.000 1.135 336 R CA 1.562 57.499 56.100 -0.272 0.000 0.967 336 R CB -0.360 29.739 30.300 -0.336 0.000 0.861 336 R HN 0.339 nan 8.270 nan 0.000 0.442 337 A N -0.127 122.519 122.820 -0.290 0.000 2.238 337 A HA 0.195 4.567 4.320 0.087 0.000 0.208 337 A C 1.316 178.785 177.584 -0.191 0.000 1.177 337 A CA 0.775 52.663 52.037 -0.247 0.000 0.804 337 A CB -0.051 18.718 19.000 -0.386 0.000 0.823 337 A HN 0.446 nan 8.150 nan 0.000 0.482 338 G N -0.284 108.405 108.800 -0.185 0.000 2.198 338 G HA2 -0.225 3.787 3.960 0.087 0.000 0.260 338 G HA3 -0.225 3.787 3.960 0.087 0.000 0.260 338 G C -0.179 174.635 174.900 -0.142 0.000 1.025 338 G CA 0.353 45.369 45.100 -0.140 0.000 0.769 338 G HN 0.508 nan 8.290 nan 0.000 0.507 339 E N -0.652 119.433 120.200 -0.191 0.000 2.313 339 E HA 0.353 4.755 4.350 0.087 0.000 0.276 339 E C 1.804 178.313 176.600 -0.151 0.000 1.031 339 E CA -0.630 55.668 56.400 -0.170 0.000 0.857 339 E CB 0.800 30.368 29.700 -0.219 0.000 1.040 339 E HN 0.280 nan 8.360 nan 0.000 0.408 340 I N 2.121 122.624 120.570 -0.112 0.000 2.264 340 I HA -0.300 3.922 4.170 0.087 0.000 0.248 340 I C 2.219 178.266 176.117 -0.118 0.000 1.111 340 I CA 0.728 61.970 61.300 -0.097 0.000 1.382 340 I CB -0.156 37.803 38.000 -0.068 0.000 1.060 340 I HN 0.410 nan 8.210 nan 0.000 0.418 341 L N 1.193 122.334 121.223 -0.138 0.000 2.187 341 L HA -0.107 4.285 4.340 0.087 0.000 0.213 341 L C 2.263 178.994 176.870 -0.231 0.000 1.100 341 L CA 1.938 56.672 54.840 -0.177 0.000 0.765 341 L CB -1.072 40.877 42.059 -0.184 0.000 0.904 341 L HN 0.188 nan 8.230 nan 0.000 0.437 342 G N -1.016 107.635 108.800 -0.248 0.000 2.446 342 G HA2 -0.288 3.725 3.960 0.087 0.000 0.217 342 G HA3 -0.288 3.725 3.960 0.087 0.000 0.217 342 G C 1.615 176.413 174.900 -0.170 0.000 1.168 342 G CA 0.822 45.772 45.100 -0.250 0.000 0.771 342 G HN 0.608 nan 8.290 nan 0.000 0.551 343 A N 0.570 123.311 122.820 -0.133 0.000 1.902 343 A HA 0.008 4.380 4.320 0.087 0.000 0.217 343 A C 2.491 180.032 177.584 -0.071 0.000 1.181 343 A CA 1.936 53.920 52.037 -0.089 0.000 0.623 343 A CB -0.388 18.568 19.000 -0.074 0.000 0.818 343 A HN 0.390 nan 8.150 nan 0.000 0.443 344 M N -0.605 118.945 119.600 -0.083 0.000 2.080 344 M HA -0.139 4.393 4.480 0.087 0.000 0.260 344 M C 2.080 178.348 176.300 -0.053 0.000 1.068 344 M CA 1.561 56.824 55.300 -0.062 0.000 1.109 344 M CB -0.499 32.056 32.600 -0.076 0.000 1.342 344 M HN 0.363 nan 8.290 nan 0.000 0.405 345 L N -0.966 120.194 121.223 -0.104 0.000 2.131 345 L HA -0.128 4.264 4.340 0.087 0.000 0.206 345 L C 2.634 179.513 176.870 0.014 0.000 1.087 345 L CA 0.587 55.384 54.840 -0.072 0.000 0.767 345 L CB -0.528 41.413 42.059 -0.198 0.000 0.917 345 L HN 0.370 nan 8.230 nan 0.000 0.441 346 M N -0.573 119.014 119.600 -0.022 0.000 2.175 346 M HA -0.131 4.401 4.480 0.087 0.000 0.264 346 M C 2.299 178.651 176.300 0.086 0.000 1.063 346 M CA 1.714 57.029 55.300 0.025 0.000 1.119 346 M CB -1.219 31.361 32.600 -0.032 0.000 1.377 346 M HN 0.228 nan 8.290 nan 0.000 0.415 347 T N -0.116 114.467 114.554 0.048 0.000 2.821 347 T HA -0.152 4.250 4.350 0.087 0.000 0.267 347 T C 1.744 176.495 174.700 0.086 0.000 1.046 347 T CA 1.451 63.587 62.100 0.059 0.000 1.139 347 T CB -0.146 68.737 68.868 0.024 0.000 0.871 347 T HN 0.469 nan 8.240 nan 0.000 0.454 348 E N 0.346 120.603 120.200 0.095 0.000 2.051 348 E HA -0.257 4.145 4.350 0.087 0.000 0.192 348 E C 2.097 178.790 176.600 0.155 0.000 0.991 348 E CA 1.368 57.840 56.400 0.121 0.000 0.799 348 E CB -0.143 29.637 29.700 0.134 0.000 0.748 348 E HN 0.647 nan 8.360 nan 0.000 0.449 349 H N 0.564 119.702 119.070 0.114 0.000 2.290 349 H HA -0.111 4.494 4.556 0.082 0.000 0.298 349 H C 1.882 177.319 175.328 0.181 0.000 1.087 349 H CA 2.432 58.562 56.048 0.136 0.000 1.291 349 H CB -0.128 29.689 29.762 0.091 0.000 1.369 349 H HN 0.141 nan 8.280 nan 0.000 0.492 350 N N 0.146 118.864 118.700 0.030 0.000 2.142 350 N HA -0.094 4.698 4.740 0.087 0.000 0.186 350 N C 2.132 177.738 175.510 0.161 0.000 1.023 350 N CA 1.394 54.509 53.050 0.110 0.000 0.852 350 N CB -0.157 38.507 38.487 0.295 0.000 0.998 350 N HN 0.466 nan 8.380 nan 0.000 0.424 351 I N 0.751 121.379 120.570 0.097 0.000 2.394 351 I HA -0.176 4.046 4.170 0.087 0.000 0.251 351 I C 2.172 178.350 176.117 0.101 0.000 1.136 351 I CA 0.650 62.003 61.300 0.089 0.000 1.425 351 I CB -0.224 37.827 38.000 0.085 0.000 1.079 351 I HN 0.050 nan 8.210 nan 0.000 0.425 352 A N 0.815 123.679 122.820 0.074 0.000 1.898 352 A HA -0.249 4.123 4.320 0.087 0.000 0.216 352 A C 2.217 179.815 177.584 0.024 0.000 1.181 352 A CA 1.255 53.335 52.037 0.071 0.000 0.620 352 A CB -0.928 18.132 19.000 0.100 0.000 0.819 352 A HN 0.424 nan 8.150 nan 0.000 0.442 353 F N -0.590 119.233 119.950 -0.212 0.000 2.065 353 F HA -0.254 4.323 4.527 0.083 0.000 0.298 353 F C 2.148 177.785 175.800 -0.271 0.000 1.112 353 F CA 2.082 59.897 58.000 -0.308 0.000 1.212 353 F CB -0.502 38.194 39.000 -0.507 0.000 0.975 353 F HN 0.311 nan 8.300 nan 0.000 0.476 354 Y N 0.560 120.697 120.300 -0.271 0.000 2.165 354 Y HA -0.277 4.324 4.550 0.085 0.000 0.286 354 Y C 2.638 178.344 175.900 -0.323 0.000 1.155 354 Y CA 1.871 59.686 58.100 -0.474 0.000 1.164 354 Y CB -0.718 37.261 38.460 -0.800 0.000 0.978 354 Y HN 0.135 nan 8.280 nan 0.000 0.513 355 Q N 0.049 119.849 119.800 0.001 0.000 2.119 355 Q HA -0.206 4.187 4.340 0.087 0.000 0.201 355 Q C 2.064 178.056 176.000 -0.014 0.000 0.972 355 Q CA 1.454 57.283 55.803 0.044 0.000 0.847 355 Q CB -0.416 28.380 28.738 0.098 0.000 0.903 355 Q HN 0.642 nan 8.270 nan 0.000 0.433 356 Q N 0.053 119.819 119.800 -0.057 0.000 2.172 356 Q HA -0.090 4.302 4.340 0.087 0.000 0.200 356 Q C 2.072 178.058 176.000 -0.024 0.000 0.964 356 Q CA 0.558 56.360 55.803 -0.002 0.000 0.855 356 Q CB -0.075 28.715 28.738 0.087 0.000 0.918 356 Q HN 0.185 nan 8.270 nan 0.000 0.444 357 L N 0.152 121.263 121.223 -0.187 0.000 2.017 357 L HA -0.182 4.210 4.340 0.087 0.000 0.208 357 L C 1.971 178.762 176.870 -0.131 0.000 1.073 357 L CA 1.717 56.481 54.840 -0.126 0.000 0.745 357 L CB -0.322 41.472 42.059 -0.441 0.000 0.894 357 L HN 0.192 nan 8.230 nan 0.000 0.432 358 M N -0.906 118.623 119.600 -0.119 0.000 2.117 358 M HA -0.190 4.342 4.480 0.087 0.000 0.262 358 M C 2.349 178.599 176.300 -0.084 0.000 1.065 358 M CA 1.607 56.869 55.300 -0.064 0.000 1.114 358 M CB -1.519 31.103 32.600 0.038 0.000 1.361 358 M HN 0.402 nan 8.290 nan 0.000 0.408 359 Q N 0.939 120.697 119.800 -0.070 0.000 2.084 359 Q HA -0.098 4.294 4.340 0.087 0.000 0.202 359 Q C 1.907 177.809 176.000 -0.162 0.000 0.978 359 Q CA 1.790 57.545 55.803 -0.080 0.000 0.844 359 Q CB -0.130 28.585 28.738 -0.039 0.000 0.898 359 Q HN 0.465 nan 8.270 nan 0.000 0.426 360 K N -0.348 119.913 120.400 -0.233 0.000 2.097 360 K HA -0.091 4.281 4.320 0.087 0.000 0.206 360 K C 2.084 178.274 176.600 -0.683 0.000 1.049 360 K CA 1.388 57.391 56.287 -0.474 0.000 0.933 360 K CB -0.182 31.977 32.500 -0.569 0.000 0.717 360 K HN 0.273 nan 8.250 nan 0.000 0.442 361 I N 0.780 121.048 120.570 -0.503 0.000 2.179 361 I HA -0.291 3.932 4.170 0.087 0.000 0.242 361 I C 2.428 178.375 176.117 -0.284 0.000 1.088 361 I CA 1.276 62.371 61.300 -0.341 0.000 1.357 361 I CB -0.192 37.705 38.000 -0.170 0.000 1.051 361 I HN 0.142 nan 8.210 nan 0.000 0.409 362 R N 0.568 120.943 120.500 -0.208 0.000 2.073 362 R HA -0.171 4.222 4.340 0.087 0.000 0.234 362 R C 1.934 178.150 176.300 -0.140 0.000 1.134 362 R CA 1.679 57.686 56.100 -0.154 0.000 0.952 362 R CB -0.447 29.796 30.300 -0.095 0.000 0.850 362 R HN 0.361 nan 8.270 nan 0.000 0.433 363 D N 0.201 120.512 120.400 -0.148 0.000 2.144 363 D HA -0.125 4.567 4.640 0.087 0.000 0.199 363 D C 2.063 178.304 176.300 -0.098 0.000 0.984 363 D CA 1.789 55.720 54.000 -0.115 0.000 0.834 363 D CB -0.196 40.532 40.800 -0.120 0.000 0.955 363 D HN 0.230 nan 8.370 nan 0.000 0.465 364 S N 0.285 115.906 115.700 -0.132 0.000 2.383 364 S HA -0.085 4.438 4.470 0.087 0.000 0.227 364 S C 2.255 176.887 174.600 0.053 0.000 1.026 364 S CA 0.451 58.639 58.200 -0.020 0.000 0.981 364 S CB -0.579 62.617 63.200 -0.007 0.000 0.818 364 S HN 0.232 nan 8.310 nan 0.000 0.472 365 I N 1.836 122.395 120.570 -0.020 0.000 2.252 365 I HA -0.123 4.099 4.170 0.087 0.000 0.245 365 I C 2.981 179.084 176.117 -0.023 0.000 1.102 365 I CA 1.309 62.590 61.300 -0.031 0.000 1.385 365 I CB -0.574 37.313 38.000 -0.188 0.000 1.064 365 I HN 0.396 nan 8.210 nan 0.000 0.414 366 S N 0.386 116.057 115.700 -0.048 0.000 2.399 366 S HA -0.191 4.331 4.470 0.087 0.000 0.231 366 S C 1.704 176.293 174.600 -0.019 0.000 1.022 366 S CA 1.496 59.672 58.200 -0.040 0.000 0.983 366 S CB -0.227 62.944 63.200 -0.048 0.000 0.803 366 S HN 0.461 nan 8.310 nan 0.000 0.480 367 E N -0.521 119.674 120.200 -0.008 0.000 2.474 367 E HA 0.241 4.644 4.350 0.087 0.000 0.195 367 E C 0.987 177.602 176.600 0.025 0.000 1.039 367 E CA 0.247 56.649 56.400 0.004 0.000 0.881 367 E CB 0.140 29.839 29.700 -0.000 0.000 0.970 367 E HN 0.576 nan 8.360 nan 0.000 0.486 368 G N 2.905 111.730 108.800 0.040 0.000 2.198 368 G HA2 -0.346 3.667 3.960 0.087 0.000 0.260 368 G HA3 -0.346 3.667 3.960 0.087 0.000 0.260 368 G C 0.555 175.504 174.900 0.081 0.000 1.025 368 G CA 0.704 45.840 45.100 0.060 0.000 0.769 368 G HN 0.419 nan 8.290 nan 0.000 0.507 369 R N -1.364 119.199 120.500 0.106 0.000 2.659 369 R HA 0.485 4.877 4.340 0.087 0.000 0.418 369 R C 1.334 177.748 176.300 0.190 0.000 1.076 369 R CA -0.190 55.980 56.100 0.116 0.000 1.093 369 R CB -0.144 30.208 30.300 0.087 0.000 1.400 369 R HN 0.261 nan 8.270 nan 0.000 0.583 370 F N 1.648 121.642 119.950 0.073 0.000 2.206 370 F HA 0.045 4.624 4.527 0.087 0.000 0.298 370 F C 1.664 177.559 175.800 0.158 0.000 1.090 370 F CA 1.335 59.412 58.000 0.128 0.000 1.323 370 F CB 0.150 39.194 39.000 0.072 0.000 1.028 370 F HN 0.016 nan 8.300 nan 0.000 0.492 371 S N 0.037 115.672 115.700 -0.108 0.000 2.382 371 S HA -0.249 4.274 4.470 0.087 0.000 0.228 371 S C 1.845 176.356 174.600 -0.148 0.000 1.027 371 S CA 1.345 59.412 58.200 -0.222 0.000 0.991 371 S CB -0.435 62.724 63.200 -0.069 0.000 0.823 371 S HN 0.463 nan 8.310 nan 0.000 0.469 372 Q N 0.966 120.744 119.800 -0.037 0.000 2.050 372 Q HA -0.063 4.329 4.340 0.087 0.000 0.202 372 Q C 1.757 177.748 176.000 -0.016 0.000 0.980 372 Q CA 1.496 57.291 55.803 -0.013 0.000 0.840 372 Q CB -0.694 28.062 28.738 0.029 0.000 0.898 372 Q HN 0.510 nan 8.270 nan 0.000 0.424 373 F N 0.382 120.283 119.950 -0.082 0.000 2.120 373 F HA -0.222 4.357 4.527 0.087 0.000 0.300 373 F C 1.867 177.627 175.800 -0.066 0.000 1.095 373 F CA 1.919 59.888 58.000 -0.052 0.000 1.249 373 F CB -0.700 38.305 39.000 0.009 0.000 0.995 373 F HN 0.144 nan 8.300 nan 0.000 0.480 374 A N -0.201 122.394 122.820 -0.375 0.000 1.930 374 A HA -0.187 4.185 4.320 0.087 0.000 0.217 374 A C 2.158 179.625 177.584 -0.196 0.000 1.175 374 A CA 1.627 53.427 52.037 -0.396 0.000 0.627 374 A CB -0.784 17.908 19.000 -0.514 0.000 0.815 374 A HN 0.616 nan 8.150 nan 0.000 0.443 375 Q N -0.341 119.360 119.800 -0.165 0.000 2.050 375 Q HA -0.177 4.215 4.340 0.087 0.000 0.202 375 Q C 1.515 177.466 176.000 -0.081 0.000 0.980 375 Q CA 1.513 57.267 55.803 -0.082 0.000 0.840 375 Q CB -0.224 28.477 28.738 -0.062 0.000 0.898 375 Q HN 0.591 nan 8.270 nan 0.000 0.424 376 D N 0.237 120.562 120.400 -0.125 0.000 2.117 376 D HA -0.165 4.527 4.640 0.087 0.000 0.197 376 D C 1.577 177.783 176.300 -0.156 0.000 0.987 376 D CA 0.840 54.768 54.000 -0.120 0.000 0.829 376 D CB -0.344 40.392 40.800 -0.108 0.000 0.961 376 D HN 0.145 nan 8.370 nan 0.000 0.460 377 F N 2.081 121.769 119.950 -0.437 0.000 2.069 377 F HA -0.168 4.410 4.527 0.086 0.000 0.298 377 F C 2.329 178.072 175.800 -0.095 0.000 1.113 377 F CA 1.559 59.337 58.000 -0.370 0.000 1.214 377 F CB -0.105 38.504 39.000 -0.652 0.000 0.978 377 F HN -0.218 nan 8.300 nan 0.000 0.474 378 R N 0.228 120.646 120.500 -0.137 0.000 2.096 378 R HA -0.097 4.295 4.340 0.087 0.000 0.235 378 R C 2.471 178.796 176.300 0.042 0.000 1.127 378 R CA 1.087 57.182 56.100 -0.007 0.000 0.968 378 R CB -0.855 29.603 30.300 0.264 0.000 0.861 378 R HN 0.438 nan 8.270 nan 0.000 0.440 379 A N 1.079 123.896 122.820 -0.006 0.000 1.908 379 A HA -0.208 4.164 4.320 0.087 0.000 0.218 379 A C 2.131 179.709 177.584 -0.011 0.000 1.181 379 A CA 1.501 53.547 52.037 0.016 0.000 0.627 379 A CB -0.375 18.621 19.000 -0.006 0.000 0.818 379 A HN 0.234 nan 8.150 nan 0.000 0.445 380 R N -2.771 117.680 120.500 -0.081 0.000 2.090 380 R HA -0.031 4.361 4.340 0.087 0.000 0.219 380 R C 2.043 178.259 176.300 -0.139 0.000 1.100 380 R CA 1.017 57.073 56.100 -0.073 0.000 0.991 380 R CB -0.409 29.869 30.300 -0.038 0.000 0.893 380 R HN 0.513 nan 8.270 nan 0.000 0.443 381 Y N -0.011 119.983 120.300 -0.510 0.000 2.256 381 Y HA -0.097 4.505 4.550 0.086 0.000 0.288 381 Y C -0.078 175.424 175.900 -0.663 0.000 1.155 381 Y CA 1.177 58.832 58.100 -0.741 0.000 1.203 381 Y CB 0.109 37.702 38.460 -1.446 0.000 0.980 381 Y HN -0.088 nan 8.280 nan 0.000 0.530 382 F N 0.000 119.909 119.950 -0.069 0.000 2.286 382 F HA 0.000 4.580 4.527 0.089 0.000 0.279 382 F CA 0.000 57.964 58.000 -0.060 0.000 1.383 382 F CB 0.000 39.002 39.000 0.003 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574