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 3gfn_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMX DATA SEQUENCE XXXXXXQSEE GVTFXXXXXX XXXMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 0.000 176.310 176.300 0.016 0.000 0.893 11 R CA 0.000 56.101 56.100 0.001 0.000 0.921 11 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 12 P HA 0.135 nan 4.420 nan 0.000 0.276 12 P C -0.267 177.081 177.300 0.081 0.000 1.261 12 P CA -0.422 62.707 63.100 0.050 0.000 0.800 12 P CB 0.892 32.623 31.700 0.051 0.000 1.066 13 R N 0.060 120.632 120.500 0.119 0.000 2.081 13 R HA -0.056 4.335 4.340 0.086 0.000 0.235 13 R C -0.308 176.164 176.300 0.288 0.000 1.131 13 R CA 1.152 57.355 56.100 0.173 0.000 0.960 13 R CB -0.106 30.299 30.300 0.175 0.000 0.856 13 R HN 0.525 nan 8.270 nan 0.000 0.436 14 F N -0.364 119.639 119.950 0.088 0.000 2.670 14 F HA 0.281 4.860 4.527 0.086 0.000 0.332 14 F C -1.632 174.233 175.800 0.108 0.000 1.179 14 F CA -0.560 57.504 58.000 0.108 0.000 1.076 14 F CB 1.985 41.063 39.000 0.131 0.000 1.322 14 F HN -0.125 nan 8.300 nan 0.000 0.515 15 S N 6.746 122.277 115.700 -0.281 0.000 2.750 15 S HA 0.508 5.029 4.470 0.086 0.000 0.276 15 S C -1.903 172.560 174.600 -0.229 0.000 1.165 15 S CA -0.361 57.758 58.200 -0.135 0.000 1.047 15 S CB 0.453 63.627 63.200 -0.043 0.000 1.056 15 S HN 0.538 nan 8.310 nan 0.000 0.481 16 F N 5.624 125.386 119.950 -0.313 0.000 2.405 16 F HA 0.694 5.272 4.527 0.085 0.000 0.355 16 F C -0.010 175.730 175.800 -0.099 0.000 1.121 16 F CA -0.716 57.153 58.000 -0.219 0.000 1.112 16 F CB 1.329 40.260 39.000 -0.114 0.000 1.126 16 F HN 0.518 nan 8.300 nan 0.000 0.481 17 S N 6.641 122.022 115.700 -0.533 0.000 2.532 17 S HA 0.702 5.224 4.470 0.086 0.000 0.299 17 S C -0.805 173.389 174.600 -0.677 0.000 1.105 17 S CA -0.793 57.103 58.200 -0.507 0.000 1.018 17 S CB 1.170 64.224 63.200 -0.244 0.000 1.021 17 S HN 0.539 nan 8.310 nan 0.000 0.483 18 I N 3.073 123.282 120.570 -0.602 0.000 2.315 18 I HA 0.443 4.664 4.170 0.086 0.000 0.291 18 I C 1.108 177.085 176.117 -0.234 0.000 1.006 18 I CA -0.591 60.449 61.300 -0.434 0.000 1.265 18 I CB 1.540 39.326 38.000 -0.356 0.000 1.387 18 I HN 0.943 nan 8.210 nan 0.000 0.475 19 A N 5.244 127.959 122.820 -0.175 0.000 2.044 19 A HA 0.699 5.071 4.320 0.086 0.000 0.213 19 A C 0.889 178.420 177.584 -0.088 0.000 1.169 19 A CA 0.736 52.702 52.037 -0.117 0.000 0.724 19 A CB 0.212 19.154 19.000 -0.097 0.000 0.840 19 A HN 0.745 nan 8.150 nan 0.000 0.463 20 A N -0.763 122.006 122.820 -0.085 0.000 2.604 20 A HA 0.733 5.105 4.320 0.086 0.000 0.295 20 A C -0.882 176.671 177.584 -0.052 0.000 1.067 20 A CA -0.783 51.218 52.037 -0.060 0.000 0.683 20 A CB 1.060 20.028 19.000 -0.054 0.000 1.281 20 A HN 0.277 nan 8.150 nan 0.000 0.407 21 R N 0.289 120.772 120.500 -0.028 0.000 2.740 21 R HA 0.719 5.111 4.340 0.086 0.000 0.273 21 R C -1.373 174.939 176.300 0.020 0.000 0.998 21 R CA -0.721 55.374 56.100 -0.007 0.000 0.900 21 R CB 2.608 32.909 30.300 0.001 0.000 1.223 21 R HN 0.781 nan 8.270 nan 0.000 0.466 22 E N 0.938 121.168 120.200 0.050 0.000 2.378 22 E HA 0.310 4.712 4.350 0.086 0.000 0.282 22 E C 0.036 176.703 176.600 0.112 0.000 0.910 22 E CA 0.159 56.614 56.400 0.091 0.000 0.816 22 E CB 1.203 30.990 29.700 0.144 0.000 1.359 22 E HN 0.805 nan 8.360 nan 0.000 0.397 23 G N 4.579 113.428 108.800 0.080 0.000 2.591 23 G HA2 -0.403 3.608 3.960 0.086 0.000 0.298 23 G HA3 -0.403 3.608 3.960 0.086 0.000 0.298 23 G C 0.657 175.601 174.900 0.074 0.000 1.195 23 G CA 0.578 45.723 45.100 0.075 0.000 0.989 23 G HN 0.577 nan 8.290 nan 0.000 0.551 24 K N 1.370 121.821 120.400 0.085 0.000 2.400 24 K HA 0.487 4.859 4.320 0.086 0.000 0.194 24 K C 1.439 178.097 176.600 0.096 0.000 1.033 24 K CA 0.545 56.882 56.287 0.084 0.000 1.021 24 K CB 0.156 32.700 32.500 0.073 0.000 0.808 24 K HN 0.765 nan 8.250 nan 0.000 0.505 25 A N 1.886 124.773 122.820 0.112 0.000 2.407 25 A HA 0.357 4.729 4.320 0.086 0.000 0.248 25 A C -0.363 177.225 177.584 0.007 0.000 1.082 25 A CA -0.140 51.932 52.037 0.058 0.000 0.785 25 A CB 0.302 19.335 19.000 0.055 0.000 1.020 25 A HN 0.158 nan 8.150 nan 0.000 0.489 26 R N 0.026 120.513 120.500 -0.022 0.000 2.795 26 R HA 0.752 5.144 4.340 0.086 0.000 0.275 26 R C -0.592 175.678 176.300 -0.051 0.000 0.981 26 R CA -0.430 55.657 56.100 -0.022 0.000 0.917 26 R CB 2.019 32.338 30.300 0.032 0.000 1.202 26 R HN 0.672 nan 8.270 nan 0.000 0.469 27 T N -0.195 114.320 114.554 -0.064 0.000 2.893 27 T HA 0.836 5.237 4.350 0.086 0.000 0.293 27 T C -0.522 174.138 174.700 -0.067 0.000 1.027 27 T CA 0.070 62.132 62.100 -0.063 0.000 0.988 27 T CB 1.461 70.269 68.868 -0.101 0.000 1.043 27 T HN 0.773 nan 8.240 nan 0.000 0.461 28 G N 1.807 110.586 108.800 -0.035 0.000 2.435 28 G HA2 0.580 4.592 3.960 0.086 0.000 0.228 28 G HA3 0.580 4.592 3.960 0.086 0.000 0.228 28 G C -0.894 173.999 174.900 -0.012 0.000 1.198 28 G CA 0.067 45.115 45.100 -0.087 0.000 0.948 28 G HN 1.237 nan 8.290 nan 0.000 0.487 29 T N -1.651 112.886 114.554 -0.028 0.000 2.916 29 T HA 0.700 5.102 4.350 0.086 0.000 0.305 29 T C -1.001 173.762 174.700 0.105 0.000 1.119 29 T CA -0.536 61.584 62.100 0.032 0.000 1.008 29 T CB 1.858 70.710 68.868 -0.027 0.000 1.129 29 T HN 0.640 nan 8.240 nan 0.000 0.480 30 I N 1.911 122.526 120.570 0.076 0.000 2.330 30 I HA 0.359 4.581 4.170 0.086 0.000 0.289 30 I C 0.117 176.168 176.117 -0.111 0.000 1.001 30 I CA -0.671 60.589 61.300 -0.066 0.000 1.193 30 I CB 1.452 39.371 38.000 -0.136 0.000 1.345 30 I HN 0.652 nan 8.210 nan 0.000 0.461 31 E N 7.598 127.701 120.200 -0.162 0.000 2.174 31 E HA 0.617 5.018 4.350 0.086 0.000 0.282 31 E C -0.761 175.783 176.600 -0.094 0.000 0.992 31 E CA -0.435 55.906 56.400 -0.098 0.000 0.803 31 E CB 1.777 31.436 29.700 -0.069 0.000 1.090 31 E HN 0.480 nan 8.360 nan 0.000 0.396 32 M N 1.494 121.081 119.600 -0.023 0.000 2.704 32 M HA 0.306 4.837 4.480 0.086 0.000 0.284 32 M C 0.631 176.948 176.300 0.030 0.000 1.275 32 M CA -0.842 54.483 55.300 0.041 0.000 0.811 32 M CB 1.723 34.376 32.600 0.088 0.000 1.741 32 M HN 0.237 nan 8.290 nan 0.000 0.458 33 K N 0.223 120.648 120.400 0.043 0.000 2.097 33 K HA -0.050 4.321 4.320 0.086 0.000 0.206 33 K C 1.452 178.041 176.600 -0.017 0.000 1.049 33 K CA 1.462 57.756 56.287 0.011 0.000 0.933 33 K CB 0.028 32.535 32.500 0.011 0.000 0.717 33 K HN 0.413 nan 8.250 nan 0.000 0.442 34 R N -0.046 120.442 120.500 -0.020 0.000 2.310 34 R HA 0.111 4.502 4.340 0.086 0.000 0.202 34 R C 0.295 176.567 176.300 -0.046 0.000 0.933 34 R CA 0.205 56.271 56.100 -0.056 0.000 1.054 34 R CB 0.823 31.072 30.300 -0.085 0.000 0.985 34 R HN 0.243 nan 8.270 nan 0.000 0.489 35 G N -0.600 108.188 108.800 -0.020 0.000 2.356 35 G HA2 0.022 4.034 3.960 0.086 0.000 0.300 35 G HA3 0.022 4.034 3.960 0.086 0.000 0.300 35 G C -1.548 173.348 174.900 -0.007 0.000 1.331 35 G CA -1.031 44.055 45.100 -0.023 0.000 0.905 35 G HN -0.092 nan 8.290 nan 0.000 0.587 36 V N 0.428 120.336 119.914 -0.010 0.000 2.481 36 V HA 0.630 4.802 4.120 0.086 0.000 0.286 36 V C 0.275 176.378 176.094 0.014 0.000 1.042 36 V CA -0.449 61.847 62.300 -0.006 0.000 0.928 36 V CB 1.331 33.146 31.823 -0.014 0.000 0.986 36 V HN 0.596 nan 8.190 nan 0.000 0.462 37 I N 4.794 125.374 120.570 0.016 0.000 2.362 37 I HA 0.475 4.696 4.170 0.086 0.000 0.289 37 I C 0.278 176.419 176.117 0.039 0.000 0.994 37 I CA -0.469 60.853 61.300 0.036 0.000 1.158 37 I CB 1.371 39.392 38.000 0.034 0.000 1.315 37 I HN 0.494 nan 8.210 nan 0.000 0.451 38 R N 3.851 124.377 120.500 0.043 0.000 2.340 38 R HA 0.426 4.817 4.340 0.086 0.000 0.300 38 R C -0.099 176.235 176.300 0.056 0.000 1.069 38 R CA -0.304 55.819 56.100 0.038 0.000 0.984 38 R CB 1.067 31.381 30.300 0.024 0.000 1.003 38 R HN 0.666 nan 8.270 nan 0.000 0.459 39 T N 0.581 115.175 114.554 0.067 0.000 2.885 39 T HA 0.468 4.870 4.350 0.086 0.000 0.285 39 T C -2.626 172.101 174.700 0.045 0.000 1.019 39 T CA -2.843 59.309 62.100 0.086 0.000 1.010 39 T CB 2.156 71.115 68.868 0.151 0.000 1.022 39 T HN 0.193 nan 8.240 nan 0.000 0.466 40 P HA 0.420 nan 4.420 nan 0.000 0.268 40 P C -1.040 176.354 177.300 0.157 0.000 1.204 40 P CA -0.197 62.976 63.100 0.121 0.000 0.768 40 P CB 0.407 32.203 31.700 0.160 0.000 0.842 41 A N 3.619 126.560 122.820 0.202 0.000 2.342 41 A HA 0.651 5.022 4.320 0.086 0.000 0.323 41 A C -1.350 176.416 177.584 0.304 0.000 1.125 41 A CA -0.517 51.629 52.037 0.181 0.000 0.785 41 A CB 0.419 19.466 19.000 0.078 0.000 1.221 41 A HN 0.483 nan 8.150 nan 0.000 0.463 42 F N 2.765 122.809 119.950 0.156 0.000 2.427 42 F HA 0.661 5.237 4.527 0.082 0.000 0.346 42 F C -0.213 175.636 175.800 0.081 0.000 1.120 42 F CA -0.851 57.252 58.000 0.172 0.000 1.033 42 F CB 1.424 40.523 39.000 0.164 0.000 1.126 42 F HN 0.486 nan 8.300 nan 0.000 0.462 43 M N 8.692 127.806 119.600 -0.809 0.000 2.047 43 M HA 0.339 4.871 4.480 0.086 0.000 0.342 43 M C -2.470 173.397 176.300 -0.722 0.000 1.058 43 M CA -1.864 53.090 55.300 -0.577 0.000 0.991 43 M CB 0.970 33.315 32.600 -0.426 0.000 1.474 43 M HN 0.317 nan 8.290 nan 0.000 0.419 44 P HA 0.061 nan 4.420 nan 0.000 0.267 44 P C -0.656 176.497 177.300 -0.246 0.000 1.200 44 P CA -0.252 62.737 63.100 -0.184 0.000 0.772 44 P CB 0.537 32.185 31.700 -0.085 0.000 0.855 45 V N 2.717 122.534 119.914 -0.161 0.000 2.407 45 V HA 0.492 4.664 4.120 0.086 0.000 0.278 45 V C 1.032 177.049 176.094 -0.129 0.000 1.037 45 V CA -0.189 62.025 62.300 -0.143 0.000 0.900 45 V CB 1.059 32.832 31.823 -0.084 0.000 0.983 45 V HN 0.713 nan 8.190 nan 0.000 0.459 46 G N 2.779 111.491 108.800 -0.146 0.000 2.428 46 G HA2 0.490 4.502 3.960 0.086 0.000 0.320 46 G HA3 0.490 4.502 3.960 0.086 0.000 0.320 46 G C -0.108 174.755 174.900 -0.061 0.000 1.098 46 G CA -0.218 44.810 45.100 -0.120 0.000 0.984 46 G HN 0.611 nan 8.290 nan 0.000 0.444 47 T N 1.708 116.243 114.554 -0.032 0.000 2.799 47 T HA 0.468 4.870 4.350 0.086 0.000 0.286 47 T C 0.904 175.613 174.700 0.016 0.000 0.973 47 T CA 0.738 62.841 62.100 0.004 0.000 1.035 47 T CB 1.446 70.324 68.868 0.017 0.000 0.932 47 T HN 1.574 nan 8.240 nan 0.000 0.469 48 A N 2.578 125.421 122.820 0.039 0.000 2.364 48 A HA 0.121 4.492 4.320 0.086 0.000 0.288 48 A C 1.067 178.690 177.584 0.065 0.000 1.433 48 A CA 0.935 53.006 52.037 0.058 0.000 0.757 48 A CB -2.028 17.007 19.000 0.058 0.000 1.098 48 A HN 2.449 nan 8.150 nan 0.000 0.380 49 A N -2.572 120.286 122.820 0.063 0.000 4.559 49 A HA 0.495 4.866 4.320 0.086 0.000 0.180 49 A C 0.758 178.332 177.584 -0.017 0.000 1.163 49 A CA 1.195 53.271 52.037 0.065 0.000 0.913 49 A CB -1.920 17.211 19.000 0.220 0.000 0.871 49 A HN 3.159 nan 8.150 nan 0.000 0.503 50 T N -0.942 113.589 114.554 -0.039 0.000 3.047 50 T HA 0.514 4.916 4.350 0.086 0.000 0.340 50 T C -0.813 173.844 174.700 -0.072 0.000 1.421 50 T CA 0.314 62.378 62.100 -0.059 0.000 1.090 50 T CB 1.424 70.263 68.868 -0.048 0.000 1.292 50 T HN 1.358 nan 8.240 nan 0.000 0.480 51 V N 4.357 124.216 119.914 -0.091 0.000 2.387 51 V HA 0.546 4.717 4.120 0.086 0.000 0.260 51 V C 1.234 177.298 176.094 -0.050 0.000 1.054 51 V CA -0.172 62.074 62.300 -0.089 0.000 0.967 51 V CB -0.096 31.654 31.823 -0.123 0.000 1.036 51 V HN 1.189 nan 8.190 nan 0.000 0.481 52 K N 3.861 124.238 120.400 -0.038 0.000 2.504 52 K HA 0.388 4.760 4.320 0.086 0.000 0.278 52 K C 1.312 177.898 176.600 -0.023 0.000 1.025 52 K CA 0.688 56.959 56.287 -0.027 0.000 1.093 52 K CB -0.778 31.710 32.500 -0.020 0.000 0.873 52 K HN 2.273 nan 8.250 nan 0.000 0.483 53 A N 1.017 123.823 122.820 -0.023 0.000 3.021 53 A HA -0.105 4.267 4.320 0.086 0.000 0.257 53 A C 0.245 177.822 177.584 -0.011 0.000 1.277 53 A CA 1.267 53.291 52.037 -0.022 0.000 1.012 53 A CB -2.327 16.657 19.000 -0.028 0.000 1.147 53 A HN 1.042 nan 8.150 nan 0.000 0.861 54 L N -0.599 120.620 121.223 -0.006 0.000 2.385 54 L HA 0.454 4.846 4.340 0.086 0.000 0.273 54 L C 0.376 177.258 176.870 0.020 0.000 0.990 54 L CA -0.903 53.945 54.840 0.013 0.000 0.821 54 L CB 1.882 43.953 42.059 0.019 0.000 1.279 54 L HN 0.250 nan 8.230 nan 0.000 0.412 55 K N 2.794 123.217 120.400 0.039 0.000 2.355 55 K HA 0.135 4.507 4.320 0.086 0.000 0.270 55 K C -1.646 175.013 176.600 0.098 0.000 1.003 55 K CA -1.361 54.958 56.287 0.054 0.000 0.957 55 K CB 0.730 33.264 32.500 0.055 0.000 0.939 55 K HN 0.247 nan 8.250 nan 0.000 0.482 56 P HA -0.230 nan 4.420 nan 0.000 0.218 56 P C 1.213 178.686 177.300 0.288 0.000 1.148 56 P CA 1.659 64.934 63.100 0.291 0.000 0.822 56 P CB 0.159 32.075 31.700 0.361 0.000 0.784 57 E N -0.559 119.740 120.200 0.164 0.000 2.153 57 E HA -0.194 4.207 4.350 0.086 0.000 0.194 57 E C 1.909 178.590 176.600 0.135 0.000 0.988 57 E CA 2.084 58.556 56.400 0.121 0.000 0.811 57 E CB -2.117 27.629 29.700 0.076 0.000 0.746 57 E HN 0.291 nan 8.360 nan 0.000 0.466 58 T N 0.195 114.827 114.554 0.131 0.000 2.812 58 T HA -0.067 4.335 4.350 0.086 0.000 0.264 58 T C 2.222 177.008 174.700 0.143 0.000 1.042 58 T CA 1.186 63.359 62.100 0.122 0.000 1.140 58 T CB -0.227 68.701 68.868 0.100 0.000 0.870 58 T HN 0.273 nan 8.240 nan 0.000 0.445 59 V N 2.018 122.032 119.914 0.166 0.000 2.282 59 V HA -0.218 3.954 4.120 0.086 0.000 0.249 59 V C 2.687 178.941 176.094 0.268 0.000 1.057 59 V CA 1.903 64.306 62.300 0.172 0.000 1.032 59 V CB -0.591 31.292 31.823 0.100 0.000 0.645 59 V HN 0.281 nan 8.190 nan 0.000 0.447 60 R N 1.073 121.799 120.500 0.378 0.000 2.096 60 R HA -0.070 4.322 4.340 0.086 0.000 0.235 60 R C 2.058 178.460 176.300 0.169 0.000 1.127 60 R CA 1.871 58.150 56.100 0.298 0.000 0.968 60 R CB -0.929 29.458 30.300 0.144 0.000 0.861 60 R HN 0.454 nan 8.270 nan 0.000 0.440 61 A N -0.492 122.414 122.820 0.142 0.000 2.015 61 A HA -0.107 4.265 4.320 0.086 0.000 0.219 61 A C 2.049 179.699 177.584 0.110 0.000 1.163 61 A CA 1.735 53.836 52.037 0.108 0.000 0.646 61 A CB -1.024 18.036 19.000 0.101 0.000 0.806 61 A HN 0.614 nan 8.150 nan 0.000 0.448 62 T N -4.270 110.359 114.554 0.126 0.000 3.072 62 T HA 0.322 4.723 4.350 0.086 0.000 0.266 62 T C 1.417 176.185 174.700 0.113 0.000 1.127 62 T CA 1.357 63.527 62.100 0.117 0.000 1.107 62 T CB -0.094 68.844 68.868 0.116 0.000 0.910 62 T HN 1.635 nan 8.240 nan 0.000 0.513 63 G N 0.706 109.582 108.800 0.126 0.000 2.184 63 G HA2 0.078 4.090 3.960 0.086 0.000 0.206 63 G HA3 0.078 4.090 3.960 0.086 0.000 0.206 63 G C 0.256 175.246 174.900 0.149 0.000 0.995 63 G CA -0.182 44.987 45.100 0.116 0.000 0.651 63 G HN 1.103 nan 8.290 nan 0.000 0.511 64 A N 0.271 123.209 122.820 0.198 0.000 2.511 64 A HA 0.520 4.892 4.320 0.086 0.000 0.242 64 A C 1.027 178.797 177.584 0.309 0.000 1.069 64 A CA 1.042 53.217 52.037 0.231 0.000 0.763 64 A CB 0.300 19.421 19.000 0.202 0.000 1.001 64 A HN 0.161 nan 8.150 nan 0.000 0.498 65 D N 0.274 120.821 120.400 0.246 0.000 2.392 65 D HA 0.224 4.916 4.640 0.086 0.000 0.206 65 D C 0.149 176.656 176.300 0.346 0.000 1.046 65 D CA 0.832 54.972 54.000 0.233 0.000 0.865 65 D CB 0.445 41.321 40.800 0.127 0.000 0.969 65 D HN 0.568 nan 8.370 nan 0.000 0.509 66 I N 0.517 121.279 120.570 0.320 0.000 2.842 66 I HA 0.282 4.503 4.170 0.086 0.000 0.297 66 I C -1.742 174.340 176.117 -0.058 0.000 1.380 66 I CA -0.942 60.500 61.300 0.237 0.000 1.018 66 I CB 2.155 40.206 38.000 0.086 0.000 1.311 66 I HN -0.218 nan 8.210 nan 0.000 0.439 67 I N 4.221 124.629 120.570 -0.271 0.000 2.957 67 I HA 0.612 4.833 4.170 0.086 0.000 0.310 67 I C -1.832 174.089 176.117 -0.327 0.000 1.063 67 I CA -0.957 60.066 61.300 -0.462 0.000 1.033 67 I CB 2.107 39.598 38.000 -0.849 0.000 1.230 67 I HN 0.638 nan 8.210 nan 0.000 0.447 68 L N 2.725 123.770 121.223 -0.297 0.000 2.307 68 L HA 0.812 5.204 4.340 0.086 0.000 0.284 68 L C -0.066 176.697 176.870 -0.179 0.000 1.023 68 L CA -0.194 54.516 54.840 -0.216 0.000 0.810 68 L CB 1.428 43.373 42.059 -0.190 0.000 1.231 68 L HN 0.905 nan 8.230 nan 0.000 0.423 69 G N 2.855 111.575 108.800 -0.134 0.000 2.372 69 G HA2 0.306 4.318 3.960 0.086 0.000 0.323 69 G HA3 0.306 4.318 3.960 0.086 0.000 0.323 69 G C -0.974 173.904 174.900 -0.036 0.000 1.152 69 G CA -0.648 44.397 45.100 -0.092 0.000 0.906 69 G HN 0.779 nan 8.290 nan 0.000 0.460 70 N N 2.064 120.761 118.700 -0.006 0.000 2.402 70 N HA 0.163 4.955 4.740 0.086 0.000 0.252 70 N C 1.376 176.930 175.510 0.073 0.000 1.118 70 N CA -0.284 52.793 53.050 0.044 0.000 0.945 70 N CB 1.275 39.802 38.487 0.068 0.000 1.147 70 N HN 0.413 nan 8.380 nan 0.000 0.495 71 T N 1.002 115.609 114.554 0.087 0.000 2.746 71 T HA -0.236 4.166 4.350 0.086 0.000 0.267 71 T C 1.504 176.275 174.700 0.120 0.000 1.039 71 T CA 1.164 63.319 62.100 0.091 0.000 1.142 71 T CB -0.390 68.541 68.868 0.105 0.000 0.866 71 T HN 0.565 nan 8.240 nan 0.000 0.444 72 Y N 1.617 121.939 120.300 0.036 0.000 2.114 72 Y HA -0.282 4.319 4.550 0.085 0.000 0.282 72 Y C 2.898 178.826 175.900 0.045 0.000 1.165 72 Y CA 2.373 60.493 58.100 0.033 0.000 1.148 72 Y CB -0.997 37.466 38.460 0.004 0.000 0.972 72 Y HN 0.546 nan 8.280 nan 0.000 0.504 73 H N -0.501 118.666 119.070 0.161 0.000 2.290 73 H HA -0.138 4.470 4.556 0.086 0.000 0.298 73 H C 2.270 177.594 175.328 -0.007 0.000 1.087 73 H CA 2.018 58.104 56.048 0.063 0.000 1.291 73 H CB -1.064 28.766 29.762 0.114 0.000 1.369 73 H HN 0.476 nan 8.280 nan 0.000 0.492 74 L N 0.264 121.495 121.223 0.013 0.000 2.141 74 L HA -0.143 4.249 4.340 0.086 0.000 0.209 74 L C 2.988 179.834 176.870 -0.040 0.000 1.094 74 L CA 1.630 56.468 54.840 -0.004 0.000 0.763 74 L CB -0.375 41.686 42.059 0.002 0.000 0.908 74 L HN 0.753 nan 8.230 nan 0.000 0.437 75 M N -1.225 118.346 119.600 -0.048 0.000 2.394 75 M HA -0.096 4.435 4.480 0.086 0.000 0.264 75 M C 1.796 178.049 176.300 -0.078 0.000 1.073 75 M CA 1.666 56.933 55.300 -0.055 0.000 1.111 75 M CB -0.248 32.336 32.600 -0.026 0.000 1.401 75 M HN 0.141 nan 8.290 nan 0.000 0.448 76 L N 0.898 122.050 121.223 -0.118 0.000 2.084 76 L HA 0.189 4.581 4.340 0.086 0.000 0.202 76 L C 1.556 178.390 176.870 -0.061 0.000 1.074 76 L CA 1.035 55.811 54.840 -0.106 0.000 0.757 76 L CB -0.618 41.346 42.059 -0.159 0.000 0.918 76 L HN 0.460 nan 8.230 nan 0.000 0.444 77 R N -0.191 120.284 120.500 -0.042 0.000 2.548 77 R HA 0.431 4.823 4.340 0.086 0.000 0.280 77 R C -2.605 173.700 176.300 0.008 0.000 1.061 77 R CA -1.248 54.842 56.100 -0.016 0.000 0.915 77 R CB -0.464 29.837 30.300 0.002 0.000 1.210 77 R HN -0.143 nan 8.270 nan 0.000 0.442 78 P HA 0.187 nan 4.420 nan 0.000 0.241 78 P C 0.393 177.646 177.300 -0.078 0.000 1.191 78 P CA 1.025 64.103 63.100 -0.037 0.000 0.771 78 P CB 0.583 32.229 31.700 -0.091 0.000 0.929 79 G N -0.309 108.441 108.800 -0.084 0.000 3.069 79 G HA2 0.086 4.098 3.960 0.086 0.000 0.686 79 G HA3 0.086 4.098 3.960 0.086 0.000 0.686 79 G C 0.697 175.529 174.900 -0.113 0.000 1.161 79 G CA -0.448 44.600 45.100 -0.087 0.000 0.804 79 G HN 0.172 nan 8.290 nan 0.000 0.608 80 A N 1.433 124.200 122.820 -0.089 0.000 1.898 80 A HA 0.122 4.493 4.320 0.086 0.000 0.216 80 A C 2.105 179.625 177.584 -0.106 0.000 1.181 80 A CA 2.413 54.394 52.037 -0.092 0.000 0.620 80 A CB -0.358 18.606 19.000 -0.059 0.000 0.819 80 A HN 0.896 nan 8.150 nan 0.000 0.442 81 E N -0.504 119.644 120.200 -0.086 0.000 2.058 81 E HA -0.183 4.219 4.350 0.086 0.000 0.194 81 E C 2.186 178.726 176.600 -0.101 0.000 0.997 81 E CA 1.481 57.832 56.400 -0.081 0.000 0.801 81 E CB -0.241 29.423 29.700 -0.061 0.000 0.746 81 E HN 0.616 nan 8.360 nan 0.000 0.450 82 R N 0.363 120.793 120.500 -0.116 0.000 2.073 82 R HA -0.115 4.276 4.340 0.086 0.000 0.234 82 R C 2.233 178.406 176.300 -0.212 0.000 1.134 82 R CA 1.414 57.430 56.100 -0.139 0.000 0.952 82 R CB -0.342 29.877 30.300 -0.134 0.000 0.850 82 R HN 0.189 nan 8.270 nan 0.000 0.433 83 I N 0.784 121.179 120.570 -0.292 0.000 2.226 83 I HA -0.254 3.968 4.170 0.086 0.000 0.245 83 I C 2.546 178.527 176.117 -0.227 0.000 1.100 83 I CA 1.310 62.368 61.300 -0.402 0.000 1.374 83 I CB -0.346 37.399 38.000 -0.425 0.000 1.057 83 I HN 0.341 nan 8.210 nan 0.000 0.413 84 A N 0.994 123.717 122.820 -0.161 0.000 1.933 84 A HA -0.267 4.105 4.320 0.086 0.000 0.218 84 A C 2.605 180.135 177.584 -0.090 0.000 1.175 84 A CA 2.450 54.415 52.037 -0.121 0.000 0.628 84 A CB -0.901 18.026 19.000 -0.123 0.000 0.814 84 A HN 0.387 nan 8.150 nan 0.000 0.444 85 K N -0.814 119.532 120.400 -0.090 0.000 2.097 85 K HA 0.046 4.417 4.320 0.086 0.000 0.206 85 K C 1.604 178.175 176.600 -0.048 0.000 1.049 85 K CA 1.717 57.967 56.287 -0.061 0.000 0.933 85 K CB -0.887 31.578 32.500 -0.059 0.000 0.717 85 K HN 0.306 nan 8.250 nan 0.000 0.442 86 L N -0.407 120.773 121.223 -0.072 0.000 2.599 86 L HA 0.270 4.662 4.340 0.086 0.000 0.230 86 L C 1.780 178.658 176.870 0.014 0.000 1.141 86 L CA 1.399 56.225 54.840 -0.023 0.000 0.877 86 L CB -0.286 41.749 42.059 -0.041 0.000 1.009 86 L HN 0.701 nan 8.230 nan 0.000 0.447 87 G N -2.055 106.740 108.800 -0.008 0.000 2.205 87 G HA2 0.084 4.096 3.960 0.086 0.000 0.180 87 G HA3 0.084 4.096 3.960 0.086 0.000 0.180 87 G C 0.685 175.605 174.900 0.033 0.000 1.004 87 G CA -0.221 44.893 45.100 0.023 0.000 0.670 87 G HN 0.877 nan 8.290 nan 0.000 0.496 88 G N -1.483 107.318 108.800 0.001 0.000 2.662 88 G HA2 0.190 4.202 3.960 0.086 0.000 0.686 88 G HA3 0.190 4.202 3.960 0.086 0.000 0.686 88 G C 0.430 175.385 174.900 0.092 0.000 1.271 88 G CA -0.043 45.072 45.100 0.025 0.000 0.816 88 G HN 1.483 nan 8.290 nan 0.000 0.608 89 L N 0.257 121.529 121.223 0.082 0.000 2.093 89 L HA 0.119 4.511 4.340 0.086 0.000 0.208 89 L C 2.494 179.449 176.870 0.142 0.000 1.085 89 L CA 2.956 57.857 54.840 0.101 0.000 0.755 89 L CB -0.885 41.164 42.059 -0.017 0.000 0.904 89 L HN 0.747 nan 8.230 nan 0.000 0.435 90 H N -1.699 117.461 119.070 0.150 0.000 2.293 90 H HA -0.140 4.467 4.556 0.085 0.000 0.300 90 H C 2.546 177.965 175.328 0.152 0.000 1.082 90 H CA 1.997 58.146 56.048 0.169 0.000 1.308 90 H CB -0.400 29.435 29.762 0.121 0.000 1.375 90 H HN 0.419 nan 8.280 nan 0.000 0.495 91 S N -0.319 115.539 115.700 0.264 0.000 2.368 91 S HA -0.197 4.324 4.470 0.086 0.000 0.225 91 S C 2.067 176.789 174.600 0.204 0.000 1.030 91 S CA 1.080 59.391 58.200 0.185 0.000 0.999 91 S CB -0.530 62.756 63.200 0.143 0.000 0.844 91 S HN 0.351 nan 8.310 nan 0.000 0.459 92 F N 3.215 123.200 119.950 0.058 0.000 2.065 92 F HA -0.115 4.469 4.527 0.094 0.000 0.298 92 F C 2.214 178.039 175.800 0.041 0.000 1.112 92 F CA 2.322 60.343 58.000 0.036 0.000 1.212 92 F CB -0.568 38.443 39.000 0.018 0.000 0.975 92 F HN 0.422 nan 8.300 nan 0.000 0.476 93 M N -1.526 118.108 119.600 0.056 0.000 2.502 93 M HA 0.405 4.937 4.480 0.086 0.000 0.243 93 M C 1.275 177.597 176.300 0.038 0.000 1.130 93 M CA 0.944 56.209 55.300 -0.058 0.000 1.055 93 M CB 0.017 32.619 32.600 0.004 0.000 1.457 93 M HN 0.229 nan 8.290 nan 0.000 0.488 94 G N 1.529 110.390 108.800 0.102 0.000 2.182 94 G HA2 -0.241 3.770 3.960 0.086 0.000 0.248 94 G HA3 -0.241 3.770 3.960 0.086 0.000 0.248 94 G C -0.782 174.240 174.900 0.203 0.000 1.042 94 G CA 0.163 45.333 45.100 0.115 0.000 0.775 94 G HN 0.765 nan 8.290 nan 0.000 0.501 95 W N 1.752 123.079 121.300 0.046 0.000 2.362 95 W HA 0.505 5.207 4.660 0.069 0.000 0.316 95 W C 0.117 176.734 176.519 0.164 0.000 1.024 95 W CA -0.144 57.239 57.345 0.064 0.000 1.270 95 W CB 1.311 30.782 29.460 0.018 0.000 1.273 95 W HN 0.269 nan 8.180 nan 0.000 0.424 96 D N 3.588 123.815 120.400 -0.288 0.000 2.349 96 D HA 0.083 4.775 4.640 0.086 0.000 0.214 96 D C 0.429 176.578 176.300 -0.252 0.000 1.063 96 D CA 0.124 54.031 54.000 -0.155 0.000 0.847 96 D CB 0.361 41.067 40.800 -0.155 0.000 0.933 96 D HN 0.207 nan 8.370 nan 0.000 0.513 97 R N 0.128 120.271 120.500 -0.595 0.000 2.606 97 R HA 0.494 4.886 4.340 0.086 0.000 0.249 97 R C -2.411 174.044 176.300 0.258 0.000 1.127 97 R CA -1.976 53.955 56.100 -0.283 0.000 1.133 97 R CB 0.292 30.254 30.300 -0.564 0.000 1.243 97 R HN -0.040 nan 8.270 nan 0.000 0.558 98 P HA 0.033 nan 4.420 nan 0.000 0.268 98 P C -0.857 176.724 177.300 0.469 0.000 1.208 98 P CA 0.637 63.957 63.100 0.367 0.000 0.777 98 P CB 0.457 32.277 31.700 0.199 0.000 0.875 99 I N 2.104 122.866 120.570 0.320 0.000 2.499 99 I HA 0.328 4.550 4.170 0.086 0.000 0.288 99 I C -0.332 175.779 176.117 -0.008 0.000 1.048 99 I CA -0.876 60.468 61.300 0.072 0.000 1.062 99 I CB 1.804 39.744 38.000 -0.101 0.000 1.238 99 I HN 0.168 nan 8.210 nan 0.000 0.426 100 L N 6.729 127.887 121.223 -0.108 0.000 2.292 100 L HA 0.566 4.958 4.340 0.086 0.000 0.284 100 L C 0.013 176.812 176.870 -0.119 0.000 1.065 100 L CA 0.016 54.757 54.840 -0.165 0.000 0.806 100 L CB 1.237 43.118 42.059 -0.297 0.000 1.175 100 L HN 0.703 nan 8.230 nan 0.000 0.431 101 T N -0.070 114.439 114.554 -0.074 0.000 2.855 101 T HA 0.503 4.905 4.350 0.086 0.000 0.281 101 T C -0.501 174.198 174.700 -0.002 0.000 1.007 101 T CA -1.013 61.069 62.100 -0.030 0.000 1.009 101 T CB 1.435 70.306 68.868 0.004 0.000 0.983 101 T HN 0.616 nan 8.240 nan 0.000 0.455 102 D N 1.115 121.528 120.400 0.021 0.000 2.433 102 D HA 0.246 4.937 4.640 0.086 0.000 0.255 102 D C 1.345 177.699 176.300 0.092 0.000 1.226 102 D CA -0.572 53.458 54.000 0.050 0.000 1.015 102 D CB 0.392 41.216 40.800 0.040 0.000 1.091 102 D HN 0.506 nan 8.370 nan 0.000 0.527 103 S N -2.134 113.641 115.700 0.125 0.000 2.528 103 S HA 0.264 4.786 4.470 0.086 0.000 0.219 103 S C 1.771 176.535 174.600 0.274 0.000 0.985 103 S CA 0.428 58.759 58.200 0.219 0.000 0.914 103 S CB -0.505 62.874 63.200 0.298 0.000 0.776 103 S HN 1.254 nan 8.310 nan 0.000 0.526 104 G N 0.357 109.288 108.800 0.219 0.000 2.213 104 G HA2 -0.215 3.797 3.960 0.086 0.000 0.236 104 G HA3 -0.215 3.797 3.960 0.086 0.000 0.236 104 G C 1.010 176.044 174.900 0.224 0.000 0.991 104 G CA 0.098 45.346 45.100 0.247 0.000 0.629 104 G HN 0.998 nan 8.290 nan 0.000 0.517 105 G N -0.379 108.558 108.800 0.228 0.000 2.448 105 G HA2 0.071 4.083 3.960 0.086 0.000 0.218 105 G HA3 0.071 4.083 3.960 0.086 0.000 0.218 105 G C 1.330 176.202 174.900 -0.046 0.000 1.135 105 G CA 1.626 46.770 45.100 0.075 0.000 0.784 105 G HN 0.659 nan 8.290 nan 0.000 0.543 106 Y N 1.086 121.305 120.300 -0.135 0.000 2.242 106 Y HA -0.086 4.515 4.550 0.086 0.000 0.291 106 Y C 2.865 178.641 175.900 -0.207 0.000 1.137 106 Y CA 1.907 59.919 58.100 -0.148 0.000 1.181 106 Y CB 0.146 38.536 38.460 -0.116 0.000 0.989 106 Y HN 0.233 nan 8.280 nan 0.000 0.527 107 Q N -0.864 118.818 119.800 -0.197 0.000 2.245 107 Q HA -0.058 4.334 4.340 0.086 0.000 0.201 107 Q C 2.307 177.820 176.000 -0.811 0.000 0.955 107 Q CA 1.217 56.706 55.803 -0.523 0.000 0.870 107 Q CB -0.251 28.094 28.738 -0.655 0.000 0.945 107 Q HN 0.353 nan 8.270 nan 0.000 0.461 108 V N 0.526 120.048 119.914 -0.653 0.000 2.233 108 V HA -0.283 3.889 4.120 0.086 0.000 0.247 108 V C 1.750 177.645 176.094 -0.331 0.000 1.050 108 V CA 1.903 63.890 62.300 -0.522 0.000 1.010 108 V CB -1.117 30.441 31.823 -0.441 0.000 0.637 108 V HN 0.560 nan 8.190 nan 0.000 0.444 118 S N -0.227 115.615 115.700 0.237 0.000 2.732 118 S HA 0.476 4.998 4.470 0.086 0.000 0.293 118 S C 0.702 175.506 174.600 0.340 0.000 1.159 118 S CA -0.629 57.699 58.200 0.213 0.000 0.847 118 S CB 2.106 65.399 63.200 0.154 0.000 1.169 118 S HN 0.486 nan 8.310 nan 0.000 0.501 119 E N 0.548 120.915 120.200 0.279 0.000 2.265 119 E HA -0.046 4.355 4.350 0.086 0.000 0.196 119 E C 2.000 178.912 176.600 0.519 0.000 0.996 119 E CA 2.045 58.677 56.400 0.388 0.000 0.832 119 E CB -0.594 29.241 29.700 0.226 0.000 0.756 119 E HN 0.784 nan 8.360 nan 0.000 0.491 120 E N -0.090 120.284 120.200 0.289 0.000 2.107 120 E HA 0.235 4.636 4.350 0.086 0.000 0.191 120 E C 1.244 177.835 176.600 -0.015 0.000 0.982 120 E CA 1.286 57.763 56.400 0.129 0.000 0.809 120 E CB -0.424 29.317 29.700 0.070 0.000 0.756 120 E HN 0.479 nan 8.360 nan 0.000 0.459 121 G N -2.314 106.554 108.800 0.114 0.000 2.347 121 G HA2 0.321 4.333 3.960 0.086 0.000 0.224 121 G HA3 0.321 4.333 3.960 0.086 0.000 0.224 121 G C -1.240 173.777 174.900 0.196 0.000 1.318 121 G CA 0.045 45.117 45.100 -0.046 0.000 1.016 121 G HN 0.906 nan 8.290 nan 0.000 0.469 122 V N 0.783 120.803 119.914 0.176 0.000 2.735 122 V HA 0.902 5.074 4.120 0.086 0.000 0.310 122 V C 0.451 176.725 176.094 0.300 0.000 1.061 122 V CA 0.787 63.253 62.300 0.276 0.000 0.913 122 V CB 1.426 33.454 31.823 0.340 0.000 1.005 122 V HN 1.977 nan 8.190 nan 0.000 0.428 123 T N 4.181 118.905 114.554 0.284 0.000 2.885 123 T HA 0.889 5.291 4.350 0.086 0.000 0.285 123 T C -0.764 174.141 174.700 0.343 0.000 1.019 123 T CA -0.450 61.782 62.100 0.220 0.000 1.010 123 T CB 1.115 70.031 68.868 0.080 0.000 1.022 123 T HN 1.154 nan 8.240 nan 0.000 0.466 135 L N 3.473 124.763 121.223 0.112 0.000 2.406 135 L HA 0.987 5.378 4.340 0.086 0.000 0.272 135 L C 0.195 176.804 176.870 -0.435 0.000 0.980 135 L CA -0.154 54.632 54.840 -0.091 0.000 0.831 135 L CB 2.196 44.298 42.059 0.072 0.000 1.253 135 L HN 1.515 nan 8.230 nan 0.000 0.406 136 S N 3.469 118.764 115.700 -0.674 0.000 2.709 136 S HA 0.734 5.256 4.470 0.086 0.000 0.302 136 S C -2.416 171.519 174.600 -1.108 0.000 1.127 136 S CA -1.390 56.272 58.200 -0.897 0.000 0.905 136 S CB 1.700 64.624 63.200 -0.460 0.000 1.151 136 S HN 0.377 nan 8.310 nan 0.000 0.510 137 P HA -0.128 nan 4.420 nan 0.000 0.216 137 P C 0.940 178.089 177.300 -0.252 0.000 1.157 137 P CA 1.550 64.404 63.100 -0.410 0.000 0.880 137 P CB -0.023 31.563 31.700 -0.191 0.000 0.791 138 E N -1.115 118.949 120.200 -0.226 0.000 2.051 138 E HA -0.192 4.209 4.350 0.086 0.000 0.192 138 E C 2.154 178.679 176.600 -0.125 0.000 0.991 138 E CA 1.088 57.413 56.400 -0.125 0.000 0.799 138 E CB -0.581 29.057 29.700 -0.103 0.000 0.748 138 E HN 0.013 nan 8.360 nan 0.000 0.449 139 R N 0.359 120.746 120.500 -0.188 0.000 2.090 139 R HA 0.033 4.424 4.340 0.086 0.000 0.228 139 R C 2.243 178.469 176.300 -0.123 0.000 1.110 139 R CA 1.565 57.579 56.100 -0.143 0.000 0.973 139 R CB -0.837 29.367 30.300 -0.160 0.000 0.869 139 R HN 0.147 nan 8.270 nan 0.000 0.440 140 S N -0.166 115.408 115.700 -0.210 0.000 2.356 140 S HA -0.051 4.471 4.470 0.086 0.000 0.223 140 S C 1.817 176.427 174.600 0.018 0.000 1.032 140 S CA 1.252 59.395 58.200 -0.096 0.000 1.005 140 S CB -0.224 62.913 63.200 -0.105 0.000 0.867 140 S HN 0.305 nan 8.310 nan 0.000 0.449 141 I N 2.001 122.586 120.570 0.025 0.000 2.286 141 I HA -0.100 4.121 4.170 0.086 0.000 0.248 141 I C 2.545 178.719 176.117 0.094 0.000 1.115 141 I CA 1.447 62.809 61.300 0.103 0.000 1.392 141 I CB -1.516 36.558 38.000 0.123 0.000 1.065 141 I HN 0.554 nan 8.210 nan 0.000 0.418 142 E N 1.072 121.297 120.200 0.043 0.000 2.072 142 E HA -0.170 4.232 4.350 0.086 0.000 0.190 142 E C 2.425 179.073 176.600 0.081 0.000 0.982 142 E CA 0.853 57.293 56.400 0.067 0.000 0.803 142 E CB 0.048 29.761 29.700 0.020 0.000 0.755 142 E HN 0.425 nan 8.360 nan 0.000 0.453 143 I N 1.086 121.678 120.570 0.036 0.000 2.226 143 I HA -0.307 3.915 4.170 0.086 0.000 0.245 143 I C 2.554 178.692 176.117 0.035 0.000 1.100 143 I CA 1.279 62.593 61.300 0.022 0.000 1.374 143 I CB -0.232 37.776 38.000 0.012 0.000 1.057 143 I HN 0.177 nan 8.210 nan 0.000 0.413 144 Q N -0.520 119.322 119.800 0.070 0.000 2.124 144 Q HA -0.275 4.117 4.340 0.086 0.000 0.202 144 Q C 2.117 178.171 176.000 0.091 0.000 0.977 144 Q CA 1.708 57.560 55.803 0.080 0.000 0.850 144 Q CB -0.348 28.457 28.738 0.112 0.000 0.901 144 Q HN 0.566 nan 8.270 nan 0.000 0.429 145 H N 1.014 120.098 119.070 0.023 0.000 2.293 145 H HA -0.093 4.515 4.556 0.087 0.000 0.300 145 H C 1.803 177.128 175.328 -0.006 0.000 1.082 145 H CA 1.612 57.657 56.048 -0.004 0.000 1.308 145 H CB -0.265 29.475 29.762 -0.036 0.000 1.375 145 H HN 0.117 nan 8.280 nan 0.000 0.495 146 L N -0.169 120.926 121.223 -0.212 0.000 2.079 146 L HA -0.190 4.201 4.340 0.086 0.000 0.210 146 L C 2.504 179.268 176.870 -0.177 0.000 1.081 146 L CA 1.164 55.864 54.840 -0.234 0.000 0.752 146 L CB -0.399 41.599 42.059 -0.100 0.000 0.896 146 L HN 0.335 nan 8.230 nan 0.000 0.433 147 L N -0.558 120.605 121.223 -0.100 0.000 2.291 147 L HA -0.009 4.383 4.340 0.086 0.000 0.214 147 L C 1.496 178.353 176.870 -0.022 0.000 1.120 147 L CA 0.752 55.555 54.840 -0.062 0.000 0.799 147 L CB -0.667 41.373 42.059 -0.032 0.000 0.925 147 L HN 0.539 nan 8.230 nan 0.000 0.446 148 G N 0.322 109.104 108.800 -0.030 0.000 2.149 148 G HA2 -0.284 3.728 3.960 0.086 0.000 0.235 148 G HA3 -0.284 3.728 3.960 0.086 0.000 0.235 148 G C 0.356 175.367 174.900 0.184 0.000 1.018 148 G CA 0.374 45.508 45.100 0.057 0.000 0.728 148 G HN 0.347 nan 8.290 nan 0.000 0.508 149 S N -0.479 115.296 115.700 0.124 0.000 2.558 149 S HA 0.236 4.758 4.470 0.086 0.000 0.291 149 S C 1.428 176.135 174.600 0.178 0.000 1.306 149 S CA 0.805 59.088 58.200 0.137 0.000 1.056 149 S CB 0.459 63.706 63.200 0.079 0.000 0.836 149 S HN 0.297 nan 8.310 nan 0.000 0.504 150 D N 2.808 123.320 120.400 0.187 0.000 2.216 150 D HA 0.125 4.817 4.640 0.086 0.000 0.208 150 D C 0.254 176.616 176.300 0.103 0.000 0.960 150 D CA 1.016 55.111 54.000 0.158 0.000 0.861 150 D CB 0.172 41.075 40.800 0.173 0.000 0.985 150 D HN 0.523 nan 8.370 nan 0.000 0.493 151 I N 2.003 122.573 120.570 -0.001 0.000 2.382 151 I HA 0.166 4.388 4.170 0.086 0.000 0.286 151 I C -0.551 175.483 176.117 -0.139 0.000 1.002 151 I CA -0.646 60.552 61.300 -0.170 0.000 1.135 151 I CB 2.509 40.228 38.000 -0.467 0.000 1.288 151 I HN -0.362 nan 8.210 nan 0.000 0.448 152 V N 6.719 126.601 119.914 -0.053 0.000 2.407 152 V HA 0.366 4.538 4.120 0.086 0.000 0.278 152 V C 0.410 176.485 176.094 -0.031 0.000 1.037 152 V CA -0.517 61.804 62.300 0.035 0.000 0.900 152 V CB 1.457 33.422 31.823 0.236 0.000 0.983 152 V HN 0.578 nan 8.190 nan 0.000 0.459 153 M N 3.843 123.448 119.600 0.009 0.000 2.188 153 M HA 0.490 5.022 4.480 0.086 0.000 0.357 153 M C 0.389 176.731 176.300 0.071 0.000 1.204 153 M CA -0.426 54.891 55.300 0.028 0.000 1.095 153 M CB 1.091 33.720 32.600 0.048 0.000 1.604 153 M HN 0.723 nan 8.290 nan 0.000 0.464 154 A N 3.261 126.099 122.820 0.030 0.000 2.483 154 A HA 0.207 4.579 4.320 0.086 0.000 0.238 154 A C -0.465 177.216 177.584 0.162 0.000 1.070 154 A CA -0.173 51.920 52.037 0.092 0.000 0.770 154 A CB -0.079 18.913 19.000 -0.012 0.000 1.008 154 A HN 0.738 nan 8.150 nan 0.000 0.497 155 F N 2.860 122.860 119.950 0.083 0.000 2.445 155 F HA 0.384 4.963 4.527 0.085 0.000 0.359 155 F C 0.363 176.327 175.800 0.273 0.000 1.101 155 F CA 0.002 58.066 58.000 0.107 0.000 1.177 155 F CB 0.480 39.476 39.000 -0.007 0.000 1.110 155 F HN 0.778 nan 8.300 nan 0.000 0.522 156 D N 3.611 123.900 120.400 -0.186 0.000 2.727 156 D HA 0.248 4.939 4.640 0.086 0.000 0.264 156 D C -1.502 174.755 176.300 -0.071 0.000 1.101 156 D CA -0.779 53.232 54.000 0.020 0.000 1.122 156 D CB 1.170 41.953 40.800 -0.028 0.000 1.390 156 D HN 0.559 nan 8.370 nan 0.000 0.606 157 E N -0.186 119.971 120.200 -0.072 0.000 2.207 157 E HA 0.357 4.758 4.350 0.086 0.000 0.250 157 E C -1.063 175.499 176.600 -0.064 0.000 0.890 157 E CA -0.771 55.575 56.400 -0.091 0.000 0.749 157 E CB 1.060 30.627 29.700 -0.222 0.000 1.193 157 E HN 0.522 nan 8.360 nan 0.000 0.423 158 C N 3.588 122.875 119.300 -0.021 0.000 2.679 158 C HA 0.223 4.735 4.460 0.086 0.000 0.417 158 C C 0.393 175.386 174.990 0.006 0.000 1.302 158 C CA 0.278 59.313 59.018 0.028 0.000 1.973 158 C CB -0.165 27.659 27.740 0.140 0.000 2.715 158 C HN 0.695 nan 8.230 nan 0.000 0.628 159 T N 7.594 122.164 114.554 0.026 0.000 2.749 159 T HA 0.388 4.789 4.350 0.086 0.000 0.287 159 T C -2.293 172.442 174.700 0.058 0.000 0.970 159 T CA -0.343 61.776 62.100 0.031 0.000 0.980 159 T CB 1.180 70.076 68.868 0.046 0.000 0.924 159 T HN 0.612 nan 8.240 nan 0.000 0.456 160 P HA 0.089 nan 4.420 nan 0.000 0.268 160 P C -1.257 176.106 177.300 0.106 0.000 1.208 160 P CA -0.294 62.840 63.100 0.055 0.000 0.777 160 P CB 0.306 32.016 31.700 0.016 0.000 0.875 161 Y N 3.532 123.831 120.300 -0.001 0.000 2.335 161 Y HA 0.478 5.080 4.550 0.087 0.000 0.338 161 Y C -2.122 173.777 175.900 -0.002 0.000 0.977 161 Y CA -2.339 55.758 58.100 -0.006 0.000 1.114 161 Y CB 0.825 39.274 38.460 -0.018 0.000 1.182 161 Y HN 0.343 nan 8.280 nan 0.000 0.463 162 P HA 0.640 nan 4.420 nan 0.000 0.278 162 P C -1.749 175.414 177.300 -0.230 0.000 1.258 162 P CA -0.573 62.029 63.100 -0.831 0.000 0.811 162 P CB 1.774 33.015 31.700 -0.766 0.000 1.063 163 A N 0.689 123.472 122.820 -0.062 0.000 2.386 163 A HA 0.640 5.012 4.320 0.086 0.000 0.311 163 A C 0.252 177.948 177.584 0.188 0.000 1.068 163 A CA -0.520 51.563 52.037 0.077 0.000 0.743 163 A CB 0.950 20.030 19.000 0.133 0.000 1.258 163 A HN 0.668 nan 8.150 nan 0.000 0.429 164 T N 0.108 114.717 114.554 0.092 0.000 2.860 164 T HA 0.396 4.797 4.350 0.086 0.000 0.299 164 T C -1.808 172.877 174.700 -0.025 0.000 1.045 164 T CA -1.057 61.075 62.100 0.053 0.000 1.071 164 T CB 0.505 69.365 68.868 -0.012 0.000 0.985 164 T HN 0.282 nan 8.240 nan 0.000 0.537 165 P HA -0.133 nan 4.420 nan 0.000 0.216 165 P C 1.922 179.061 177.300 -0.269 0.000 1.150 165 P CA 1.225 63.957 63.100 -0.614 0.000 0.843 165 P CB -0.120 31.203 31.700 -0.628 0.000 0.787 166 S N -0.817 114.788 115.700 -0.158 0.000 2.355 166 S HA -0.208 4.313 4.470 0.086 0.000 0.222 166 S C 2.310 176.872 174.600 -0.063 0.000 1.031 166 S CA 1.814 59.955 58.200 -0.099 0.000 0.993 166 S CB -0.793 62.363 63.200 -0.073 0.000 0.859 166 S HN 0.034 nan 8.310 nan 0.000 0.453 167 R N 0.807 121.284 120.500 -0.039 0.000 2.075 167 R HA 0.347 4.739 4.340 0.086 0.000 0.232 167 R C 2.622 178.924 176.300 0.003 0.000 1.126 167 R CA 1.806 57.897 56.100 -0.016 0.000 0.963 167 R CB -1.783 28.515 30.300 -0.003 0.000 0.858 167 R HN 0.693 nan 8.270 nan 0.000 0.435 168 A N 0.839 123.685 122.820 0.042 0.000 1.902 168 A HA 0.226 4.598 4.320 0.086 0.000 0.217 168 A C 2.804 180.414 177.584 0.043 0.000 1.181 168 A CA 1.954 54.053 52.037 0.104 0.000 0.623 168 A CB -0.808 18.377 19.000 0.308 0.000 0.818 168 A HN 0.903 nan 8.150 nan 0.000 0.443 169 A N -0.666 122.147 122.820 -0.011 0.000 1.873 169 A HA -0.028 4.344 4.320 0.086 0.000 0.215 169 A C 2.446 180.006 177.584 -0.041 0.000 1.186 169 A CA 1.952 53.971 52.037 -0.029 0.000 0.616 169 A CB -0.891 18.072 19.000 -0.061 0.000 0.823 169 A HN 0.442 nan 8.150 nan 0.000 0.442 170 S N -0.338 115.332 115.700 -0.049 0.000 2.359 170 S HA -0.164 4.358 4.470 0.086 0.000 0.224 170 S C 2.340 176.883 174.600 -0.096 0.000 1.035 170 S CA 1.575 59.736 58.200 -0.065 0.000 1.018 170 S CB -0.402 62.763 63.200 -0.057 0.000 0.876 170 S HN 0.665 nan 8.310 nan 0.000 0.448 171 S N 0.974 116.623 115.700 -0.085 0.000 2.368 171 S HA -0.052 4.469 4.470 0.086 0.000 0.224 171 S C 1.961 176.481 174.600 -0.133 0.000 1.029 171 S CA 1.104 59.230 58.200 -0.122 0.000 0.988 171 S CB -0.369 62.788 63.200 -0.072 0.000 0.838 171 S HN 0.415 nan 8.310 nan 0.000 0.462 172 M N 1.268 120.827 119.600 -0.069 0.000 2.117 172 M HA -0.105 4.427 4.480 0.086 0.000 0.262 172 M C 1.749 178.004 176.300 -0.074 0.000 1.065 172 M CA 1.874 57.144 55.300 -0.051 0.000 1.114 172 M CB -0.989 31.610 32.600 -0.003 0.000 1.361 172 M HN 0.376 nan 8.290 nan 0.000 0.408 173 E N -0.396 119.757 120.200 -0.079 0.000 2.110 173 E HA -0.225 4.176 4.350 0.086 0.000 0.193 173 E C 2.124 178.648 176.600 -0.127 0.000 0.988 173 E CA 1.411 57.767 56.400 -0.073 0.000 0.804 173 E CB -0.259 29.406 29.700 -0.059 0.000 0.745 173 E HN 0.521 nan 8.360 nan 0.000 0.458 174 R N 0.571 120.936 120.500 -0.224 0.000 2.075 174 R HA -0.085 4.307 4.340 0.086 0.000 0.232 174 R C 2.177 178.160 176.300 -0.528 0.000 1.126 174 R CA 1.605 57.444 56.100 -0.435 0.000 0.963 174 R CB -0.089 29.857 30.300 -0.591 0.000 0.858 174 R HN -0.021 nan 8.270 nan 0.000 0.435 175 S N 0.491 115.982 115.700 -0.349 0.000 2.382 175 S HA -0.100 4.422 4.470 0.086 0.000 0.228 175 S C 1.832 176.435 174.600 0.005 0.000 1.027 175 S CA 1.303 59.406 58.200 -0.162 0.000 0.991 175 S CB -0.050 63.093 63.200 -0.095 0.000 0.823 175 S HN 0.306 nan 8.310 nan 0.000 0.469 176 M N 1.094 120.689 119.600 -0.008 0.000 2.175 176 M HA 0.042 4.574 4.480 0.086 0.000 0.264 176 M C 2.013 178.386 176.300 0.121 0.000 1.063 176 M CA 1.205 56.547 55.300 0.071 0.000 1.119 176 M CB -1.177 31.455 32.600 0.052 0.000 1.377 176 M HN 0.257 nan 8.290 nan 0.000 0.415 177 R N -0.940 119.608 120.500 0.081 0.000 2.081 177 R HA -0.187 4.205 4.340 0.086 0.000 0.235 177 R C 2.095 178.602 176.300 0.344 0.000 1.131 177 R CA 1.440 57.637 56.100 0.162 0.000 0.960 177 R CB -0.320 30.043 30.300 0.104 0.000 0.856 177 R HN 0.382 nan 8.270 nan 0.000 0.436 178 W N 0.524 121.894 121.300 0.117 0.000 2.402 178 W HA 0.032 4.743 4.660 0.086 0.000 0.286 178 W C 2.361 178.981 176.519 0.169 0.000 1.221 178 W CA 0.499 57.940 57.345 0.159 0.000 1.257 178 W CB -0.842 28.735 29.460 0.195 0.000 1.120 178 W HN 0.184 nan 8.180 nan 0.000 0.551 179 A N 0.357 123.403 122.820 0.376 0.000 1.902 179 A HA -0.224 4.148 4.320 0.086 0.000 0.217 179 A C 2.043 179.859 177.584 0.386 0.000 1.181 179 A CA 2.272 54.516 52.037 0.344 0.000 0.623 179 A CB -0.666 18.501 19.000 0.277 0.000 0.818 179 A HN 0.135 nan 8.150 nan 0.000 0.443 180 K N 0.140 120.712 120.400 0.287 0.000 2.057 180 K HA -0.088 4.284 4.320 0.086 0.000 0.207 180 K C 2.077 178.777 176.600 0.168 0.000 1.049 180 K CA 1.717 58.120 56.287 0.193 0.000 0.931 180 K CB -0.343 32.246 32.500 0.149 0.000 0.714 180 K HN 0.437 nan 8.250 nan 0.000 0.440 181 R N -0.083 120.535 120.500 0.196 0.000 2.096 181 R HA -0.050 4.342 4.340 0.086 0.000 0.235 181 R C 2.424 178.807 176.300 0.138 0.000 1.127 181 R CA 1.630 57.819 56.100 0.147 0.000 0.968 181 R CB -0.327 30.061 30.300 0.146 0.000 0.861 181 R HN 0.168 nan 8.270 nan 0.000 0.440 182 S N 0.458 116.275 115.700 0.195 0.000 2.348 182 S HA -0.190 4.331 4.470 0.086 0.000 0.221 182 S C 1.818 176.542 174.600 0.206 0.000 1.033 182 S CA 1.550 59.872 58.200 0.204 0.000 1.010 182 S CB -0.231 63.122 63.200 0.255 0.000 0.891 182 S HN 0.245 nan 8.310 nan 0.000 0.442 183 R N 1.793 122.409 120.500 0.193 0.000 2.083 183 R HA -0.119 4.273 4.340 0.086 0.000 0.237 183 R C 1.477 177.839 176.300 0.103 0.000 1.137 183 R CA 2.044 58.187 56.100 0.072 0.000 0.951 183 R CB -0.705 29.532 30.300 -0.106 0.000 0.851 183 R HN 0.241 nan 8.270 nan 0.000 0.434 184 D N -0.034 120.418 120.400 0.087 0.000 2.144 184 D HA -0.060 4.632 4.640 0.086 0.000 0.200 184 D C 1.729 178.076 176.300 0.078 0.000 0.978 184 D CA 1.536 55.578 54.000 0.069 0.000 0.833 184 D CB -0.371 40.460 40.800 0.051 0.000 0.961 184 D HN 0.412 nan 8.370 nan 0.000 0.470 185 A N 0.579 123.455 122.820 0.093 0.000 1.877 185 A HA -0.172 4.200 4.320 0.086 0.000 0.216 185 A C 2.112 179.750 177.584 0.090 0.000 1.186 185 A CA 1.016 53.093 52.037 0.067 0.000 0.620 185 A CB -1.044 17.991 19.000 0.058 0.000 0.822 185 A HN 0.245 nan 8.150 nan 0.000 0.443 186 F N 1.295 121.243 119.950 -0.004 0.000 2.095 186 F HA -0.197 4.381 4.527 0.085 0.000 0.298 186 F C 1.638 177.416 175.800 -0.036 0.000 1.104 186 F CA 2.203 60.196 58.000 -0.013 0.000 1.232 186 F CB -0.175 38.840 39.000 0.025 0.000 0.987 186 F HN 0.233 nan 8.300 nan 0.000 0.475 187 D N -0.492 120.040 120.400 0.220 0.000 2.264 187 D HA -0.099 4.592 4.640 0.086 0.000 0.208 187 D C 2.241 178.530 176.300 -0.019 0.000 0.966 187 D CA 1.139 55.199 54.000 0.100 0.000 0.864 187 D CB -0.226 40.637 40.800 0.106 0.000 0.933 187 D HN 0.238 nan 8.370 nan 0.000 0.499 188 S N -0.164 115.518 115.700 -0.031 0.000 2.607 188 S HA -0.005 4.516 4.470 0.086 0.000 0.224 188 S C 1.036 175.568 174.600 -0.113 0.000 0.969 188 S CA -0.016 58.150 58.200 -0.057 0.000 0.927 188 S CB 0.372 63.548 63.200 -0.039 0.000 0.772 188 S HN 0.100 nan 8.310 nan 0.000 0.533 189 R N 1.194 121.581 120.500 -0.189 0.000 2.310 189 R HA 0.413 4.805 4.340 0.086 0.000 0.316 189 R C 1.081 177.217 176.300 -0.274 0.000 1.004 189 R CA -0.024 55.911 56.100 -0.274 0.000 0.900 189 R CB 0.101 30.140 30.300 -0.435 0.000 1.152 189 R HN 0.096 nan 8.270 nan 0.000 0.513 190 K N 2.247 122.541 120.400 -0.177 0.000 2.044 190 K HA -0.227 4.145 4.320 0.086 0.000 0.210 190 K C 1.986 178.504 176.600 -0.135 0.000 1.049 190 K CA 2.296 58.506 56.287 -0.128 0.000 0.927 190 K CB -1.268 31.186 32.500 -0.077 0.000 0.713 190 K HN 0.758 nan 8.250 nan 0.000 0.443 191 E N 0.609 120.732 120.200 -0.128 0.000 2.085 191 E HA -0.289 4.112 4.350 0.086 0.000 0.194 191 E C 2.089 178.628 176.600 -0.102 0.000 0.994 191 E CA 1.824 58.184 56.400 -0.068 0.000 0.801 191 E CB -0.645 29.065 29.700 0.017 0.000 0.743 191 E HN 0.851 nan 8.360 nan 0.000 0.453 192 Q N -0.820 118.834 119.800 -0.244 0.000 2.046 192 Q HA 0.041 4.433 4.340 0.086 0.000 0.200 192 Q C 2.525 178.201 176.000 -0.539 0.000 0.975 192 Q CA 1.420 57.008 55.803 -0.359 0.000 0.836 192 Q CB -0.291 28.103 28.738 -0.573 0.000 0.896 192 Q HN 0.540 nan 8.270 nan 0.000 0.428 193 A N 0.632 123.107 122.820 -0.575 0.000 1.978 193 A HA -0.217 4.155 4.320 0.086 0.000 0.220 193 A C 1.678 179.231 177.584 -0.051 0.000 1.170 193 A CA 1.723 53.561 52.037 -0.333 0.000 0.636 193 A CB -0.418 18.485 19.000 -0.161 0.000 0.810 193 A HN 0.537 nan 8.150 nan 0.000 0.448 194 E N -0.902 119.260 120.200 -0.062 0.000 2.299 194 E HA -0.012 4.389 4.350 0.086 0.000 0.193 194 E C 0.947 177.570 176.600 0.038 0.000 0.998 194 E CA 0.571 56.975 56.400 0.006 0.000 0.851 194 E CB 0.081 29.776 29.700 -0.008 0.000 0.795 194 E HN 0.583 nan 8.360 nan 0.000 0.492 195 N N -0.610 118.107 118.700 0.027 0.000 2.239 195 N HA 0.142 4.934 4.740 0.086 0.000 0.208 195 N C -0.114 175.461 175.510 0.108 0.000 1.200 195 N CA 0.145 53.230 53.050 0.059 0.000 0.895 195 N CB 1.321 39.827 38.487 0.032 0.000 1.085 195 N HN -0.048 nan 8.380 nan 0.000 0.500 196 A N 0.510 123.413 122.820 0.138 0.000 2.309 196 A HA 0.884 5.256 4.320 0.086 0.000 0.317 196 A C -0.724 177.095 177.584 0.392 0.000 1.134 196 A CA -0.444 51.739 52.037 0.245 0.000 0.866 196 A CB 1.335 20.484 19.000 0.248 0.000 1.329 196 A HN 0.096 nan 8.150 nan 0.000 0.477 197 A N -0.281 122.712 122.820 0.288 0.000 2.384 197 A HA 0.760 5.132 4.320 0.086 0.000 0.312 197 A C -1.118 176.385 177.584 -0.136 0.000 1.113 197 A CA -0.503 51.559 52.037 0.042 0.000 0.779 197 A CB 1.157 20.030 19.000 -0.212 0.000 1.307 197 A HN 0.910 nan 8.150 nan 0.000 0.436 198 L N 1.581 122.554 121.223 -0.416 0.000 2.356 198 L HA 0.592 4.983 4.340 0.086 0.000 0.277 198 L C -1.748 175.149 176.870 0.045 0.000 0.996 198 L CA -0.445 54.128 54.840 -0.445 0.000 0.822 198 L CB 1.337 42.821 42.059 -0.959 0.000 1.256 198 L HN 0.664 nan 8.230 nan 0.000 0.413 199 F N 1.644 121.432 119.950 -0.269 0.000 2.469 199 F HA 0.614 5.193 4.527 0.087 0.000 0.332 199 F C 0.880 176.319 175.800 -0.601 0.000 1.103 199 F CA -1.214 56.572 58.000 -0.357 0.000 0.979 199 F CB 2.010 40.881 39.000 -0.216 0.000 1.137 199 F HN 0.360 nan 8.300 nan 0.000 0.463 200 G N 2.727 110.934 108.800 -0.987 0.000 2.412 200 G HA2 0.659 4.670 3.960 0.086 0.000 0.318 200 G HA3 0.659 4.670 3.960 0.086 0.000 0.318 200 G C -1.049 173.537 174.900 -0.523 0.000 1.146 200 G CA -0.585 43.688 45.100 -1.380 0.000 0.882 200 G HN 0.512 nan 8.290 nan 0.000 0.501 201 I N 0.651 121.025 120.570 -0.326 0.000 2.389 201 I HA 0.248 4.469 4.170 0.086 0.000 0.288 201 I C 0.190 176.249 176.117 -0.096 0.000 0.999 201 I CA -0.587 60.617 61.300 -0.160 0.000 1.129 201 I CB 2.078 40.001 38.000 -0.130 0.000 1.288 201 I HN 0.410 nan 8.210 nan 0.000 0.444 202 Q N 5.987 125.752 119.800 -0.059 0.000 2.314 202 Q HA 0.259 4.650 4.340 0.086 0.000 0.258 202 Q C -0.927 175.054 176.000 -0.031 0.000 0.954 202 Q CA -0.281 55.506 55.803 -0.027 0.000 0.890 202 Q CB 1.168 29.896 28.738 -0.017 0.000 1.210 202 Q HN 0.533 nan 8.270 nan 0.000 0.410 203 Q N 1.149 120.944 119.800 -0.010 0.000 2.962 203 Q HA 0.564 4.956 4.340 0.086 0.000 0.282 203 Q C 0.105 176.130 176.000 0.041 0.000 1.058 203 Q CA -0.010 55.795 55.803 0.003 0.000 0.854 203 Q CB 1.723 30.454 28.738 -0.010 0.000 1.441 203 Q HN 0.974 nan 8.270 nan 0.000 0.497 204 G N -0.448 108.394 108.800 0.070 0.000 2.227 204 G HA2 -0.194 3.817 3.960 0.086 0.000 0.168 204 G HA3 -0.194 3.817 3.960 0.086 0.000 0.168 204 G C 0.375 175.384 174.900 0.181 0.000 1.006 204 G CA 0.879 46.060 45.100 0.136 0.000 0.684 204 G HN 0.772 nan 8.290 nan 0.000 0.489 205 S N -2.055 113.707 115.700 0.104 0.000 3.938 205 S HA -0.364 4.158 4.470 0.086 0.000 0.624 205 S C 1.851 176.407 174.600 -0.074 0.000 2.186 205 S CA 3.482 61.703 58.200 0.035 0.000 4.144 205 S CB -1.237 62.014 63.200 0.084 0.000 0.230 205 S HN 2.014 nan 8.310 nan 0.000 0.755 206 V N -0.277 119.418 119.914 -0.365 0.000 3.596 206 V HA 0.530 4.702 4.120 0.086 0.000 0.289 206 V C 0.297 176.248 176.094 -0.238 0.000 1.336 206 V CA 0.331 62.454 62.300 -0.296 0.000 1.137 206 V CB -0.656 30.977 31.823 -0.318 0.000 0.966 206 V HN 0.460 nan 8.190 nan 0.000 0.428 207 F N 1.449 121.506 119.950 0.178 0.000 2.404 207 F HA 0.486 5.065 4.527 0.087 0.000 0.358 207 F C 1.569 177.363 175.800 -0.009 0.000 1.120 207 F CA -0.858 57.184 58.000 0.070 0.000 1.144 207 F CB 1.304 40.321 39.000 0.029 0.000 1.133 207 F HN 0.124 nan 8.300 nan 0.000 0.495 208 E N 2.925 123.035 120.200 -0.149 0.000 2.085 208 E HA -0.270 4.132 4.350 0.086 0.000 0.194 208 E C 1.953 178.460 176.600 -0.155 0.000 0.994 208 E CA 1.800 57.890 56.400 -0.517 0.000 0.801 208 E CB 0.066 29.172 29.700 -0.989 0.000 0.743 208 E HN 0.729 nan 8.360 nan 0.000 0.453 209 N N 0.700 119.354 118.700 -0.077 0.000 2.166 209 N HA -0.188 4.604 4.740 0.086 0.000 0.186 209 N C 1.818 177.332 175.510 0.007 0.000 1.019 209 N CA 0.950 53.976 53.050 -0.040 0.000 0.856 209 N CB -0.441 38.021 38.487 -0.043 0.000 0.993 209 N HN 0.188 nan 8.380 nan 0.000 0.426 210 L N 1.100 122.359 121.223 0.059 0.000 2.109 210 L HA 0.084 4.475 4.340 0.086 0.000 0.207 210 L C 2.624 179.542 176.870 0.079 0.000 1.086 210 L CA 1.120 56.006 54.840 0.076 0.000 0.760 210 L CB -0.730 41.413 42.059 0.140 0.000 0.910 210 L HN 0.118 nan 8.230 nan 0.000 0.437 211 R N -0.766 119.801 120.500 0.111 0.000 2.096 211 R HA -0.181 4.211 4.340 0.086 0.000 0.235 211 R C 2.143 178.483 176.300 0.066 0.000 1.127 211 R CA 1.098 57.267 56.100 0.114 0.000 0.968 211 R CB -0.404 30.029 30.300 0.222 0.000 0.861 211 R HN 0.383 nan 8.270 nan 0.000 0.440 212 Q N 1.011 120.836 119.800 0.042 0.000 2.079 212 Q HA -0.145 4.247 4.340 0.086 0.000 0.200 212 Q C 2.017 178.024 176.000 0.012 0.000 0.974 212 Q CA 1.660 57.472 55.803 0.015 0.000 0.840 212 Q CB -0.140 28.594 28.738 -0.007 0.000 0.898 212 Q HN 0.314 nan 8.270 nan 0.000 0.430 213 Q N -0.882 118.927 119.800 0.015 0.000 2.124 213 Q HA -0.152 4.240 4.340 0.086 0.000 0.202 213 Q C 2.071 178.086 176.000 0.024 0.000 0.977 213 Q CA 1.514 57.326 55.803 0.014 0.000 0.850 213 Q CB -0.234 28.510 28.738 0.010 0.000 0.901 213 Q HN 0.442 nan 8.270 nan 0.000 0.429 214 S N -0.364 115.354 115.700 0.029 0.000 2.355 214 S HA -0.145 4.377 4.470 0.086 0.000 0.222 214 S C 1.962 176.586 174.600 0.040 0.000 1.031 214 S CA 1.173 59.394 58.200 0.035 0.000 0.993 214 S CB -0.317 62.902 63.200 0.032 0.000 0.859 214 S HN 0.522 nan 8.310 nan 0.000 0.453 215 A N 1.526 124.357 122.820 0.018 0.000 1.908 215 A HA -0.155 4.216 4.320 0.086 0.000 0.218 215 A C 1.882 179.465 177.584 -0.003 0.000 1.181 215 A CA 2.098 54.128 52.037 -0.013 0.000 0.627 215 A CB -0.997 17.974 19.000 -0.049 0.000 0.818 215 A HN 0.589 nan 8.150 nan 0.000 0.445 216 D N -0.067 120.339 120.400 0.009 0.000 2.117 216 D HA -0.020 4.672 4.640 0.086 0.000 0.198 216 D C 2.227 178.557 176.300 0.051 0.000 0.982 216 D CA 1.511 55.520 54.000 0.016 0.000 0.828 216 D CB -0.473 40.334 40.800 0.012 0.000 0.967 216 D HN 0.436 nan 8.370 nan 0.000 0.464 217 A N 0.501 123.361 122.820 0.066 0.000 1.930 217 A HA -0.116 4.256 4.320 0.086 0.000 0.217 217 A C 2.085 179.770 177.584 0.169 0.000 1.175 217 A CA 0.818 52.912 52.037 0.095 0.000 0.627 217 A CB -0.507 18.544 19.000 0.085 0.000 0.815 217 A HN 0.125 nan 8.150 nan 0.000 0.443 218 L N -0.421 120.926 121.223 0.208 0.000 2.056 218 L HA -0.052 4.340 4.340 0.086 0.000 0.207 218 L C 2.915 180.066 176.870 0.467 0.000 1.078 218 L CA 1.858 56.948 54.840 0.417 0.000 0.749 218 L CB -1.148 41.139 42.059 0.380 0.000 0.901 218 L HN 0.394 nan 8.230 nan 0.000 0.433 219 A N -0.670 122.292 122.820 0.237 0.000 1.972 219 A HA -0.154 4.218 4.320 0.086 0.000 0.219 219 A C 2.322 179.980 177.584 0.123 0.000 1.169 219 A CA 1.779 53.909 52.037 0.155 0.000 0.635 219 A CB -0.738 18.255 19.000 -0.012 0.000 0.810 219 A HN 0.468 nan 8.150 nan 0.000 0.446 220 E N 0.094 120.353 120.200 0.098 0.000 2.107 220 E HA -0.045 4.357 4.350 0.086 0.000 0.191 220 E C 1.801 178.419 176.600 0.031 0.000 0.982 220 E CA 1.234 57.668 56.400 0.056 0.000 0.809 220 E CB -0.738 28.992 29.700 0.050 0.000 0.756 220 E HN 0.711 nan 8.360 nan 0.000 0.459 221 I N -0.454 120.142 120.570 0.045 0.000 2.202 221 I HA 0.209 4.430 4.170 0.086 0.000 0.242 221 I C 1.484 177.452 176.117 -0.249 0.000 1.091 221 I CA 1.185 62.434 61.300 -0.085 0.000 1.368 221 I CB -0.129 37.837 38.000 -0.057 0.000 1.058 221 I HN 0.493 nan 8.210 nan 0.000 0.410 222 G N 0.749 109.436 108.800 -0.189 0.000 3.322 222 G HA2 -0.146 3.866 3.960 0.086 0.000 0.686 222 G HA3 -0.146 3.866 3.960 0.086 0.000 0.686 222 G C -0.848 173.704 174.900 -0.579 0.000 1.015 222 G CA -0.871 44.130 45.100 -0.165 0.000 0.826 222 G HN 0.057 nan 8.290 nan 0.000 0.538 223 F N 0.446 120.316 119.950 -0.133 0.000 2.650 223 F HA 0.547 5.125 4.527 0.086 0.000 0.320 223 F C 0.994 176.517 175.800 -0.462 0.000 1.091 223 F CA -0.966 56.778 58.000 -0.427 0.000 0.962 223 F CB 1.578 40.132 39.000 -0.744 0.000 1.363 223 F HN 0.341 nan 8.300 nan 0.000 0.482 224 D N 0.291 120.498 120.400 -0.322 0.000 2.277 224 D HA 0.202 4.894 4.640 0.086 0.000 0.208 224 D C 0.604 176.531 176.300 -0.622 0.000 0.962 224 D CA 0.867 54.563 54.000 -0.507 0.000 0.865 224 D CB 0.459 40.721 40.800 -0.897 0.000 0.939 224 D HN 0.596 nan 8.370 nan 0.000 0.510 225 G N -0.727 107.448 108.800 -1.041 0.000 2.646 225 G HA2 0.472 4.483 3.960 0.086 0.000 0.291 225 G HA3 0.472 4.483 3.960 0.086 0.000 0.291 225 G C -2.062 171.978 174.900 -1.433 0.000 1.445 225 G CA -0.739 43.410 45.100 -1.585 0.000 0.814 225 G HN -0.070 nan 8.290 nan 0.000 0.495 226 Y N 0.027 119.966 120.300 -0.600 0.000 2.346 226 Y HA 0.669 5.271 4.550 0.086 0.000 0.332 226 Y C 0.537 176.351 175.900 -0.143 0.000 0.985 226 Y CA -0.672 57.268 58.100 -0.266 0.000 1.112 226 Y CB 2.273 40.659 38.460 -0.124 0.000 1.170 226 Y HN 0.811 nan 8.280 nan 0.000 0.447 227 A N 2.391 125.210 122.820 -0.001 0.000 2.304 227 A HA 0.730 5.102 4.320 0.086 0.000 0.301 227 A C -0.841 176.682 177.584 -0.102 0.000 1.132 227 A CA -0.683 51.326 52.037 -0.048 0.000 0.819 227 A CB 0.645 19.574 19.000 -0.118 0.000 1.094 227 A HN 0.542 nan 8.150 nan 0.000 0.492 228 V N 2.765 122.587 119.914 -0.154 0.000 2.334 228 V HA 0.494 4.666 4.120 0.086 0.000 0.267 228 V C 1.053 177.042 176.094 -0.174 0.000 1.040 228 V CA 0.139 62.357 62.300 -0.137 0.000 0.866 228 V CB 0.541 32.291 31.823 -0.123 0.000 1.019 228 V HN 1.083 nan 8.190 nan 0.000 0.468 229 G N 2.690 111.406 108.800 -0.140 0.000 2.502 229 G HA2 0.535 4.547 3.960 0.086 0.000 0.305 229 G HA3 0.535 4.547 3.960 0.086 0.000 0.305 229 G C 0.906 175.752 174.900 -0.089 0.000 1.190 229 G CA 0.048 45.066 45.100 -0.137 0.000 0.933 229 G HN 1.551 nan 8.290 nan 0.000 0.503 230 G N -1.666 107.094 108.800 -0.065 0.000 2.148 230 G HA2 -0.218 3.793 3.960 0.086 0.000 0.254 230 G HA3 -0.218 3.793 3.960 0.086 0.000 0.254 230 G C 0.235 175.109 174.900 -0.043 0.000 0.981 230 G CA 0.736 45.824 45.100 -0.020 0.000 0.670 230 G HN 0.613 nan 8.290 nan 0.000 0.528 231 L N -1.631 119.545 121.223 -0.078 0.000 2.260 231 L HA 0.740 5.131 4.340 0.086 0.000 0.265 231 L C 1.592 178.413 176.870 -0.083 0.000 1.015 231 L CA -0.705 54.075 54.840 -0.099 0.000 0.826 231 L CB 1.520 43.519 42.059 -0.099 0.000 1.373 231 L HN 1.183 nan 8.230 nan 0.000 0.450 232 A N 0.455 123.220 122.820 -0.091 0.000 2.791 232 A HA -0.123 4.249 4.320 0.086 0.000 0.292 232 A C 0.240 177.810 177.584 -0.022 0.000 1.487 232 A CA 0.835 52.840 52.037 -0.053 0.000 0.760 232 A CB -2.245 16.738 19.000 -0.027 0.000 1.031 232 A HN 0.981 nan 8.150 nan 0.000 0.503 233 V N -4.431 115.453 119.914 -0.050 0.000 2.909 233 V HA 0.688 4.860 4.120 0.086 0.000 0.362 233 V C 1.324 177.427 176.094 0.016 0.000 1.356 233 V CA 0.544 62.858 62.300 0.024 0.000 1.195 233 V CB -0.304 31.565 31.823 0.076 0.000 1.256 233 V HN 2.403 nan 8.190 nan 0.000 0.567 234 G N 1.560 110.334 108.800 -0.044 0.000 2.159 234 G HA2 -0.257 3.755 3.960 0.086 0.000 0.227 234 G HA3 -0.257 3.755 3.960 0.086 0.000 0.227 234 G C 0.796 175.625 174.900 -0.119 0.000 0.986 234 G CA 0.432 45.526 45.100 -0.010 0.000 0.651 234 G HN 0.776 nan 8.290 nan 0.000 0.523 235 E N 1.202 121.123 120.200 -0.465 0.000 2.285 235 E HA 0.347 4.748 4.350 0.086 0.000 0.194 235 E C 1.236 177.647 176.600 -0.315 0.000 0.997 235 E CA 1.369 57.320 56.400 -0.748 0.000 0.845 235 E CB -0.267 28.757 29.700 -1.127 0.000 0.782 235 E HN 2.081 nan 8.360 nan 0.000 0.491 236 G N 1.616 110.284 108.800 -0.220 0.000 2.719 236 G HA2 -0.276 3.736 3.960 0.086 0.000 0.686 236 G HA3 -0.276 3.736 3.960 0.086 0.000 0.686 236 G C 0.081 174.838 174.900 -0.239 0.000 1.201 236 G CA 0.057 45.053 45.100 -0.174 0.000 0.768 236 G HN 0.193 nan 8.290 nan 0.000 0.629 237 Q N 0.037 119.667 119.800 -0.284 0.000 2.096 237 Q HA -0.173 4.218 4.340 0.086 0.000 0.204 237 Q C 2.051 177.713 176.000 -0.564 0.000 0.982 237 Q CA 2.363 57.847 55.803 -0.532 0.000 0.850 237 Q CB -0.109 28.288 28.738 -0.568 0.000 0.901 237 Q HN 0.691 nan 8.270 nan 0.000 0.422 238 D N 0.272 120.489 120.400 -0.305 0.000 2.106 238 D HA -0.210 4.482 4.640 0.086 0.000 0.191 238 D C 1.758 178.002 176.300 -0.092 0.000 0.997 238 D CA 1.670 55.582 54.000 -0.148 0.000 0.834 238 D CB -0.253 40.499 40.800 -0.079 0.000 0.956 238 D HN 0.309 nan 8.370 nan 0.000 0.448 239 E N 0.078 120.205 120.200 -0.121 0.000 2.106 239 E HA -0.119 4.282 4.350 0.086 0.000 0.192 239 E C 2.077 178.598 176.600 -0.133 0.000 0.984 239 E CA 0.667 57.002 56.400 -0.108 0.000 0.806 239 E CB -0.249 29.365 29.700 -0.143 0.000 0.750 239 E HN 0.245 nan 8.360 nan 0.000 0.458 240 M N -0.753 118.740 119.600 -0.178 0.000 2.080 240 M HA -0.165 4.366 4.480 0.086 0.000 0.260 240 M C 1.304 177.630 176.300 0.043 0.000 1.068 240 M CA 1.519 56.745 55.300 -0.124 0.000 1.109 240 M CB -0.134 32.373 32.600 -0.153 0.000 1.342 240 M HN 0.144 nan 8.290 nan 0.000 0.405 241 F N 0.177 120.069 119.950 -0.097 0.000 2.186 241 F HA -0.094 4.484 4.527 0.085 0.000 0.299 241 F C 2.619 178.336 175.800 -0.137 0.000 1.090 241 F CA 1.211 59.160 58.000 -0.085 0.000 1.307 241 F CB -1.263 37.715 39.000 -0.038 0.000 1.019 241 F HN 0.246 nan 8.300 nan 0.000 0.489 242 R N 0.164 120.695 120.500 0.052 0.000 2.081 242 R HA -0.131 4.261 4.340 0.086 0.000 0.235 242 R C 2.122 178.204 176.300 -0.363 0.000 1.131 242 R CA 1.496 57.560 56.100 -0.060 0.000 0.960 242 R CB -0.322 29.978 30.300 0.001 0.000 0.856 242 R HN 0.121 nan 8.270 nan 0.000 0.436 243 V N 1.128 120.785 119.914 -0.427 0.000 2.379 243 V HA -0.203 3.969 4.120 0.086 0.000 0.245 243 V C 2.323 177.929 176.094 -0.814 0.000 1.044 243 V CA 1.384 63.149 62.300 -0.891 0.000 1.036 243 V CB -0.346 31.233 31.823 -0.408 0.000 0.664 243 V HN 0.332 nan 8.190 nan 0.000 0.453 244 L N -0.094 120.916 121.223 -0.356 0.000 2.079 244 L HA -0.231 4.161 4.340 0.086 0.000 0.210 244 L C 2.414 179.138 176.870 -0.244 0.000 1.081 244 L CA 1.624 56.327 54.840 -0.229 0.000 0.752 244 L CB -0.851 41.167 42.059 -0.069 0.000 0.896 244 L HN 0.352 nan 8.230 nan 0.000 0.433 245 D N 0.233 120.488 120.400 -0.243 0.000 2.133 245 D HA -0.218 4.474 4.640 0.086 0.000 0.195 245 D C 1.869 178.138 176.300 -0.052 0.000 0.997 245 D CA 1.754 55.680 54.000 -0.124 0.000 0.840 245 D CB -0.155 40.611 40.800 -0.056 0.000 0.947 245 D HN 0.511 nan 8.370 nan 0.000 0.452 246 F N -0.738 119.210 119.950 -0.005 0.000 2.656 246 F HA 0.369 4.948 4.527 0.087 0.000 0.291 246 F C 2.159 177.941 175.800 -0.030 0.000 1.122 246 F CA -0.137 57.856 58.000 -0.012 0.000 1.427 246 F CB -0.503 38.496 39.000 -0.001 0.000 1.125 246 F HN -0.255 nan 8.300 nan 0.000 0.583 247 S N 1.033 116.734 115.700 0.002 0.000 2.362 247 S HA -0.039 4.482 4.470 0.086 0.000 0.221 247 S C 2.166 176.728 174.600 -0.064 0.000 1.032 247 S CA 1.167 59.390 58.200 0.039 0.000 0.973 247 S CB -0.439 62.708 63.200 -0.089 0.000 0.849 247 S HN 0.236 nan 8.310 nan 0.000 0.465 248 V N 2.815 122.654 119.914 -0.126 0.000 2.407 248 V HA -0.072 4.100 4.120 0.086 0.000 0.248 248 V C -0.985 174.984 176.094 -0.209 0.000 1.055 248 V CA 1.508 63.679 62.300 -0.215 0.000 1.049 248 V CB -1.835 29.882 31.823 -0.176 0.000 0.662 248 V HN 0.326 nan 8.190 nan 0.000 0.455 249 P HA -0.111 nan 4.420 nan 0.000 0.225 249 P C 1.690 178.951 177.300 -0.064 0.000 1.148 249 P CA 1.324 64.393 63.100 -0.051 0.000 0.779 249 P CB -0.142 31.559 31.700 0.003 0.000 0.780 250 M N -1.911 117.647 119.600 -0.071 0.000 2.394 250 M HA -0.020 4.512 4.480 0.086 0.000 0.264 250 M C 0.728 176.941 176.300 -0.144 0.000 1.073 250 M CA 0.829 56.087 55.300 -0.071 0.000 1.111 250 M CB -0.492 32.089 32.600 -0.031 0.000 1.401 250 M HN -0.094 nan 8.290 nan 0.000 0.448 251 L N 0.518 121.601 121.223 -0.233 0.000 2.418 251 L HA 0.269 4.661 4.340 0.086 0.000 0.265 251 L C -2.059 174.662 176.870 -0.249 0.000 1.143 251 L CA -2.233 52.397 54.840 -0.351 0.000 0.809 251 L CB -0.358 41.420 42.059 -0.468 0.000 1.124 251 L HN -0.236 nan 8.230 nan 0.000 0.456 252 P HA -0.060 nan 4.420 nan 0.000 0.261 252 P C -0.080 177.302 177.300 0.137 0.000 1.183 252 P CA 0.277 63.316 63.100 -0.101 0.000 0.761 252 P CB 0.513 32.127 31.700 -0.143 0.000 0.785 253 D N 2.799 123.276 120.400 0.128 0.000 2.144 253 D HA -0.201 4.490 4.640 0.086 0.000 0.199 253 D C 1.035 177.441 176.300 0.176 0.000 0.984 253 D CA 1.370 55.482 54.000 0.186 0.000 0.834 253 D CB -0.058 40.806 40.800 0.108 0.000 0.955 253 D HN 0.400 nan 8.370 nan 0.000 0.465 254 D N -0.866 119.632 120.400 0.164 0.000 2.319 254 D HA -0.009 4.682 4.640 0.086 0.000 0.230 254 D C -0.107 176.400 176.300 0.345 0.000 1.094 254 D CA 0.151 54.267 54.000 0.193 0.000 0.856 254 D CB 0.010 40.887 40.800 0.129 0.000 0.915 254 D HN 0.063 nan 8.370 nan 0.000 0.517 255 K N 0.706 121.275 120.400 0.280 0.000 2.385 255 K HA 0.450 4.822 4.320 0.086 0.000 0.248 255 K C -2.906 173.526 176.600 -0.280 0.000 0.955 255 K CA -2.123 54.273 56.287 0.182 0.000 0.816 255 K CB 1.994 34.672 32.500 0.296 0.000 1.250 255 K HN -0.099 nan 8.250 nan 0.000 0.434 256 P HA 0.112 nan 4.420 nan 0.000 0.271 256 P C -0.931 176.136 177.300 -0.388 0.000 1.218 256 P CA 0.013 62.575 63.100 -0.895 0.000 0.780 256 P CB 0.372 31.590 31.700 -0.803 0.000 0.901 257 H N 1.568 120.528 119.070 -0.183 0.000 2.587 257 H HA 0.302 4.910 4.556 0.086 0.000 0.325 257 H C -0.927 174.371 175.328 -0.051 0.000 1.012 257 H CA -0.363 55.633 56.048 -0.087 0.000 1.213 257 H CB 0.432 30.156 29.762 -0.064 0.000 1.431 257 H HN 0.392 nan 8.280 nan 0.000 0.492 258 Y N 4.147 124.426 120.300 -0.035 0.000 2.328 258 Y HA 0.353 4.955 4.550 0.087 0.000 0.336 258 Y C -1.453 174.370 175.900 -0.128 0.000 0.960 258 Y CA -1.689 56.354 58.100 -0.096 0.000 1.134 258 Y CB 0.923 39.425 38.460 0.071 0.000 1.166 258 Y HN 0.484 nan 8.280 nan 0.000 0.464 259 L N 7.820 128.923 121.223 -0.199 0.000 2.272 259 L HA 0.473 4.865 4.340 0.086 0.000 0.284 259 L C -0.823 175.862 176.870 -0.310 0.000 1.045 259 L CA -0.410 54.275 54.840 -0.259 0.000 0.842 259 L CB 0.283 42.271 42.059 -0.119 0.000 1.224 259 L HN 0.703 nan 8.230 nan 0.000 0.430 260 M N 5.145 124.411 119.600 -0.557 0.000 2.217 260 M HA 0.311 4.842 4.480 0.086 0.000 0.352 260 M C 1.324 177.480 176.300 -0.241 0.000 1.376 260 M CA 0.650 55.614 55.300 -0.560 0.000 1.107 260 M CB 0.470 32.691 32.600 -0.632 0.000 1.723 260 M HN 0.868 nan 8.290 nan 0.000 0.461 261 G N 2.477 111.207 108.800 -0.116 0.000 2.143 261 G HA2 -0.170 3.842 3.960 0.086 0.000 0.249 261 G HA3 -0.170 3.842 3.960 0.086 0.000 0.249 261 G C -0.298 174.642 174.900 0.067 0.000 0.981 261 G CA -0.293 44.773 45.100 -0.057 0.000 0.665 261 G HN 0.578 nan 8.290 nan 0.000 0.528 262 V N 0.019 120.038 119.914 0.175 0.000 2.495 262 V HA 0.946 5.118 4.120 0.086 0.000 0.298 262 V C 0.776 177.120 176.094 0.417 0.000 1.031 262 V CA 0.627 63.089 62.300 0.271 0.000 0.871 262 V CB 1.296 33.307 31.823 0.315 0.000 0.988 262 V HN 1.566 nan 8.190 nan 0.000 0.432 263 G N 2.749 111.750 108.800 0.333 0.000 2.399 263 G HA2 0.530 4.541 3.960 0.086 0.000 0.256 263 G HA3 0.530 4.541 3.960 0.086 0.000 0.256 263 G C -0.472 174.536 174.900 0.181 0.000 1.236 263 G CA -0.095 45.136 45.100 0.218 0.000 0.914 263 G HN 0.840 nan 8.290 nan 0.000 0.482 264 K N 0.424 120.903 120.400 0.133 0.000 2.319 264 K HA 0.595 4.967 4.320 0.086 0.000 0.265 264 K C -1.026 175.524 176.600 -0.083 0.000 1.000 264 K CA 0.007 56.349 56.287 0.092 0.000 0.943 264 K CB -0.590 32.023 32.500 0.189 0.000 0.950 264 K HN 0.273 nan 8.250 nan 0.000 0.485 265 P HA -0.259 nan 4.420 nan 0.000 0.216 265 P C 0.678 177.839 177.300 -0.232 0.000 1.154 265 P CA 1.678 64.501 63.100 -0.462 0.000 0.865 265 P CB 0.208 31.618 31.700 -0.483 0.000 0.789 266 D N -0.926 119.483 120.400 0.015 0.000 2.144 266 D HA -0.170 4.522 4.640 0.086 0.000 0.200 266 D C 1.292 177.748 176.300 0.259 0.000 0.978 266 D CA 1.100 55.255 54.000 0.258 0.000 0.833 266 D CB -1.117 39.979 40.800 0.494 0.000 0.961 266 D HN 0.161 nan 8.370 nan 0.000 0.470 267 D N 0.864 121.375 120.400 0.185 0.000 2.117 267 D HA -0.040 4.652 4.640 0.086 0.000 0.198 267 D C 2.423 178.850 176.300 0.212 0.000 0.982 267 D CA 0.381 54.537 54.000 0.260 0.000 0.828 267 D CB -0.167 40.728 40.800 0.158 0.000 0.967 267 D HN 0.309 nan 8.370 nan 0.000 0.464 268 I N 0.570 121.091 120.570 -0.081 0.000 2.179 268 I HA -0.233 3.988 4.170 0.086 0.000 0.242 268 I C 2.452 178.463 176.117 -0.178 0.000 1.088 268 I CA 0.644 61.673 61.300 -0.451 0.000 1.357 268 I CB -0.135 37.404 38.000 -0.768 0.000 1.051 268 I HN -0.119 nan 8.210 nan 0.000 0.409 269 V N 0.965 120.829 119.914 -0.083 0.000 2.295 269 V HA -0.242 3.930 4.120 0.086 0.000 0.246 269 V C 2.576 178.750 176.094 0.133 0.000 1.049 269 V CA 2.279 64.618 62.300 0.065 0.000 1.024 269 V CB -1.440 30.362 31.823 -0.034 0.000 0.648 269 V HN 0.587 nan 8.190 nan 0.000 0.447 270 G N -0.647 108.199 108.800 0.077 0.000 2.422 270 G HA2 -0.182 3.830 3.960 0.086 0.000 0.218 270 G HA3 -0.182 3.830 3.960 0.086 0.000 0.218 270 G C 1.737 176.447 174.900 -0.317 0.000 1.146 270 G CA 1.026 45.953 45.100 -0.288 0.000 0.769 270 G HN 0.616 nan 8.290 nan 0.000 0.547 271 A N 0.110 122.959 122.820 0.048 0.000 1.930 271 A HA 0.138 4.509 4.320 0.086 0.000 0.217 271 A C 2.574 180.310 177.584 0.253 0.000 1.175 271 A CA 1.626 53.787 52.037 0.207 0.000 0.627 271 A CB -0.517 18.805 19.000 0.537 0.000 0.815 271 A HN 0.235 nan 8.150 nan 0.000 0.443 272 V N 0.443 120.563 119.914 0.342 0.000 2.407 272 V HA -0.265 3.906 4.120 0.086 0.000 0.248 272 V C 2.252 178.495 176.094 0.247 0.000 1.055 272 V CA 2.196 64.664 62.300 0.280 0.000 1.049 272 V CB -0.896 31.040 31.823 0.189 0.000 0.662 272 V HN 0.647 nan 8.190 nan 0.000 0.455 273 E N -0.153 120.236 120.200 0.315 0.000 2.333 273 E HA -0.180 4.222 4.350 0.086 0.000 0.198 273 E C 2.011 178.668 176.600 0.095 0.000 1.007 273 E CA 0.758 57.320 56.400 0.270 0.000 0.845 273 E CB -0.105 29.643 29.700 0.080 0.000 0.766 273 E HN 0.544 nan 8.360 nan 0.000 0.507 274 R N -0.863 119.658 120.500 0.034 0.000 2.393 274 R HA 0.138 4.530 4.340 0.086 0.000 0.244 274 R C 0.705 177.031 176.300 0.045 0.000 0.920 274 R CA 0.436 56.533 56.100 -0.005 0.000 1.076 274 R CB 1.119 31.366 30.300 -0.089 0.000 1.119 274 R HN 0.187 nan 8.270 nan 0.000 0.524 275 G N 0.799 109.659 108.800 0.101 0.000 2.138 275 G HA2 -0.169 3.843 3.960 0.086 0.000 0.193 275 G HA3 -0.169 3.843 3.960 0.086 0.000 0.193 275 G C -0.058 174.968 174.900 0.210 0.000 0.998 275 G CA -0.684 44.509 45.100 0.155 0.000 0.668 275 G HN 0.062 nan 8.290 nan 0.000 0.516 276 I N 1.363 122.012 120.570 0.132 0.000 2.472 276 I HA 0.343 4.565 4.170 0.086 0.000 0.290 276 I C 0.467 176.572 176.117 -0.020 0.000 1.016 276 I CA -0.323 60.997 61.300 0.033 0.000 1.348 276 I CB 1.279 39.230 38.000 -0.081 0.000 1.417 276 I HN 0.047 nan 8.210 nan 0.000 0.521 277 D N 4.776 125.109 120.400 -0.113 0.000 2.454 277 D HA 0.211 4.903 4.640 0.086 0.000 0.219 277 D C 0.225 176.454 176.300 -0.118 0.000 1.081 277 D CA 0.710 54.664 54.000 -0.076 0.000 0.867 277 D CB 1.091 41.819 40.800 -0.120 0.000 1.054 277 D HN 0.398 nan 8.370 nan 0.000 0.500 278 M N 0.187 119.598 119.600 -0.314 0.000 2.433 278 M HA 0.439 4.970 4.480 0.086 0.000 0.290 278 M C -1.567 174.486 176.300 -0.412 0.000 1.173 278 M CA -0.557 54.605 55.300 -0.230 0.000 0.905 278 M CB 3.027 35.522 32.600 -0.175 0.000 1.692 278 M HN -0.305 nan 8.290 nan 0.000 0.462 279 F N 0.270 120.300 119.950 0.134 0.000 2.601 279 F HA 0.579 5.158 4.527 0.085 0.000 0.309 279 F C -0.829 174.917 175.800 -0.091 0.000 1.089 279 F CA -0.756 57.351 58.000 0.178 0.000 0.940 279 F CB 2.075 41.252 39.000 0.295 0.000 1.273 279 F HN 0.627 nan 8.300 nan 0.000 0.450 280 D N 0.150 120.665 120.400 0.191 0.000 2.756 280 D HA 0.638 5.329 4.640 0.086 0.000 0.226 280 D C -1.642 174.709 176.300 0.085 0.000 1.186 280 D CA -0.475 53.441 54.000 -0.140 0.000 0.845 280 D CB 2.187 42.946 40.800 -0.069 0.000 1.610 280 D HN 0.780 nan 8.370 nan 0.000 0.465 281 C N 2.180 121.530 119.300 0.084 0.000 3.241 281 C HA 0.498 5.010 4.460 0.086 0.000 0.348 281 C C 0.669 175.736 174.990 0.128 0.000 1.180 281 C CA -0.254 58.879 59.018 0.191 0.000 1.273 281 C CB 1.121 29.064 27.740 0.338 0.000 1.620 281 C HN 0.871 nan 8.230 nan 0.000 0.510 282 V N 2.835 122.792 119.914 0.071 0.000 3.649 282 V HA 0.219 4.390 4.120 0.086 0.000 0.275 282 V C 2.146 178.262 176.094 0.037 0.000 1.281 282 V CA 1.714 64.038 62.300 0.041 0.000 1.143 282 V CB -1.074 30.767 31.823 0.030 0.000 0.892 282 V HN 1.288 nan 8.190 nan 0.000 0.441 283 L N 0.606 121.860 121.223 0.052 0.000 1.978 283 L HA -0.044 4.348 4.340 0.086 0.000 0.218 283 L C 1.309 178.220 176.870 0.067 0.000 1.075 283 L CA 3.289 58.181 54.840 0.087 0.000 0.767 283 L CB -3.188 38.953 42.059 0.136 0.000 0.890 283 L HN 0.508 nan 8.230 nan 0.000 0.434 284 P HA -0.165 nan 4.420 nan 0.000 0.216 284 P C 1.688 178.987 177.300 -0.002 0.000 1.150 284 P CA 2.523 65.548 63.100 -0.125 0.000 0.837 284 P CB -0.419 30.935 31.700 -0.576 0.000 0.786 285 T N -2.107 112.435 114.554 -0.019 0.000 2.735 285 T HA -0.032 4.370 4.350 0.086 0.000 0.256 285 T C 2.330 177.036 174.700 0.009 0.000 1.042 285 T CA 1.519 63.618 62.100 -0.002 0.000 1.147 285 T CB -1.472 67.390 68.868 -0.009 0.000 0.865 285 T HN 0.047 nan 8.240 nan 0.000 0.421 286 R N 2.058 122.568 120.500 0.017 0.000 2.122 286 R HA -0.131 4.261 4.340 0.086 0.000 0.236 286 R C 2.787 179.098 176.300 0.018 0.000 1.129 286 R CA 2.626 58.738 56.100 0.019 0.000 0.925 286 R CB -1.897 28.423 30.300 0.033 0.000 0.850 286 R HN 0.581 nan 8.270 nan 0.000 0.431 287 S N -0.146 115.581 115.700 0.045 0.000 2.387 287 S HA -0.119 4.403 4.470 0.086 0.000 0.230 287 S C 2.336 176.925 174.600 -0.018 0.000 1.035 287 S CA 1.179 59.394 58.200 0.024 0.000 1.014 287 S CB -0.757 62.491 63.200 0.081 0.000 0.836 287 S HN 0.939 nan 8.310 nan 0.000 0.466 288 G N 2.212 111.017 108.800 0.008 0.000 2.480 288 G HA2 -0.248 3.764 3.960 0.086 0.000 0.216 288 G HA3 -0.248 3.764 3.960 0.086 0.000 0.216 288 G C 1.383 176.257 174.900 -0.044 0.000 1.200 288 G CA 0.623 45.714 45.100 -0.014 0.000 0.782 288 G HN 0.445 nan 8.290 nan 0.000 0.554 289 R N 0.538 121.017 120.500 -0.035 0.000 2.159 289 R HA -0.119 4.273 4.340 0.086 0.000 0.237 289 R C 2.028 178.295 176.300 -0.055 0.000 1.131 289 R CA 1.412 57.484 56.100 -0.048 0.000 0.982 289 R CB -0.337 29.942 30.300 -0.034 0.000 0.868 289 R HN 0.586 nan 8.270 nan 0.000 0.453 290 N N -0.788 117.883 118.700 -0.048 0.000 2.280 290 N HA 0.016 4.808 4.740 0.086 0.000 0.192 290 N C 0.827 176.298 175.510 -0.065 0.000 1.109 290 N CA 0.786 53.806 53.050 -0.050 0.000 0.855 290 N CB 1.064 39.531 38.487 -0.033 0.000 0.974 290 N HN 0.200 nan 8.380 nan 0.000 0.482 291 G N -0.380 108.371 108.800 -0.082 0.000 2.218 291 G HA2 -0.272 3.739 3.960 0.086 0.000 0.216 291 G HA3 -0.272 3.739 3.960 0.086 0.000 0.216 291 G C -0.258 174.563 174.900 -0.132 0.000 0.994 291 G CA 0.069 45.111 45.100 -0.097 0.000 0.637 291 G HN 0.603 nan 8.290 nan 0.000 0.505 292 Q N 0.834 120.541 119.800 -0.154 0.000 2.279 292 Q HA 0.673 5.065 4.340 0.086 0.000 0.256 292 Q C -0.040 175.753 176.000 -0.345 0.000 0.937 292 Q CA 0.183 55.828 55.803 -0.263 0.000 0.933 292 Q CB 0.994 29.558 28.738 -0.290 0.000 1.189 292 Q HN 0.864 nan 8.270 nan 0.000 0.417 293 A N 4.615 127.197 122.820 -0.396 0.000 2.303 293 A HA 0.569 4.941 4.320 0.086 0.000 0.320 293 A C -1.264 176.018 177.584 -0.503 0.000 1.192 293 A CA -0.627 51.216 52.037 -0.323 0.000 0.821 293 A CB 0.456 19.290 19.000 -0.277 0.000 1.188 293 A HN 0.746 nan 8.150 nan 0.000 0.492 294 F N 1.767 121.589 119.950 -0.214 0.000 2.412 294 F HA 0.518 5.095 4.527 0.083 0.000 0.348 294 F C 1.363 176.680 175.800 -0.806 0.000 1.102 294 F CA 0.696 58.334 58.000 -0.604 0.000 1.196 294 F CB 1.740 40.193 39.000 -0.911 0.000 1.144 294 F HN 0.648 nan 8.300 nan 0.000 0.541 295 T N -1.803 112.388 114.554 -0.605 0.000 2.883 295 T HA 0.259 4.660 4.350 0.086 0.000 0.296 295 T C 0.136 174.749 174.700 -0.145 0.000 1.117 295 T CA -0.938 60.934 62.100 -0.379 0.000 1.006 295 T CB 0.813 69.596 68.868 -0.141 0.000 1.191 295 T HN 0.601 nan 8.240 nan 0.000 0.508 296 W N 0.285 121.814 121.300 0.381 0.000 2.525 296 W HA 0.112 4.823 4.660 0.085 0.000 0.259 296 W C 1.161 177.772 176.519 0.154 0.000 1.253 296 W CA 0.122 57.727 57.345 0.433 0.000 1.262 296 W CB 0.084 29.753 29.460 0.348 0.000 1.122 296 W HN 0.657 nan 8.180 nan 0.000 0.607 297 D N -0.073 120.428 120.400 0.168 0.000 2.370 297 D HA 0.251 4.942 4.640 0.086 0.000 0.230 297 D C 1.102 177.203 176.300 -0.332 0.000 1.143 297 D CA 0.971 54.940 54.000 -0.052 0.000 0.834 297 D CB -0.066 40.733 40.800 -0.003 0.000 0.944 297 D HN 0.124 nan 8.370 nan 0.000 0.504 298 G N 2.286 110.681 108.800 -0.675 0.000 2.661 298 G HA2 -0.162 3.850 3.960 0.086 0.000 0.685 298 G HA3 -0.162 3.850 3.960 0.086 0.000 0.685 298 G C -2.995 171.546 174.900 -0.598 0.000 1.298 298 G CA -1.148 43.239 45.100 -1.188 0.000 0.855 298 G HN -0.097 nan 8.290 nan 0.000 0.560 299 P HA 0.559 nan 4.420 nan 0.000 0.274 299 P C 0.149 177.277 177.300 -0.287 0.000 1.231 299 P CA -0.131 62.728 63.100 -0.402 0.000 0.790 299 P CB 0.898 32.371 31.700 -0.378 0.000 0.951 300 I N -1.571 118.828 120.570 -0.285 0.000 2.785 300 I HA 0.551 4.772 4.170 0.086 0.000 0.302 300 I C -0.667 175.351 176.117 -0.166 0.000 1.069 300 I CA -1.084 60.122 61.300 -0.157 0.000 1.045 300 I CB 2.480 40.374 38.000 -0.176 0.000 1.236 300 I HN 0.088 nan 8.210 nan 0.000 0.429 301 N N 3.926 122.624 118.700 -0.004 0.000 2.501 301 N HA 0.241 5.033 4.740 0.086 0.000 0.245 301 N C 0.286 175.849 175.510 0.088 0.000 0.974 301 N CA -0.382 52.662 53.050 -0.009 0.000 0.941 301 N CB 1.657 40.156 38.487 0.020 0.000 1.122 301 N HN 0.842 nan 8.380 nan 0.000 0.507 302 I N 4.277 124.791 120.570 -0.093 0.000 2.916 302 I HA -0.064 4.158 4.170 0.086 0.000 0.267 302 I C 1.943 178.212 176.117 0.253 0.000 1.263 302 I CA 0.896 62.129 61.300 -0.111 0.000 1.471 302 I CB 0.002 37.865 38.000 -0.228 0.000 1.089 302 I HN 0.474 nan 8.210 nan 0.000 0.468 303 R N 0.215 120.820 120.500 0.174 0.000 2.235 303 R HA -0.050 4.341 4.340 0.086 0.000 0.213 303 R C 0.975 177.476 176.300 0.334 0.000 1.059 303 R CA 0.051 56.251 56.100 0.167 0.000 0.997 303 R CB -0.625 29.691 30.300 0.027 0.000 0.884 303 R HN 0.370 nan 8.270 nan 0.000 0.462 304 N N 1.206 120.112 118.700 0.343 0.000 2.412 304 N HA -0.063 4.729 4.740 0.086 0.000 0.254 304 N C 0.731 176.310 175.510 0.115 0.000 1.232 304 N CA 0.334 53.496 53.050 0.187 0.000 0.880 304 N CB 1.202 39.733 38.487 0.073 0.000 1.076 304 N HN 0.098 nan 8.380 nan 0.000 0.458 305 A N 4.486 127.329 122.820 0.038 0.000 2.076 305 A HA -0.194 4.178 4.320 0.086 0.000 0.220 305 A C 2.299 179.737 177.584 -0.244 0.000 1.160 305 A CA 2.093 54.106 52.037 -0.040 0.000 0.653 305 A CB -0.625 18.371 19.000 -0.007 0.000 0.801 305 A HN 0.873 nan 8.150 nan 0.000 0.455 306 R N -1.317 118.969 120.500 -0.355 0.000 2.249 306 R HA -0.033 4.358 4.340 0.086 0.000 0.230 306 R C 1.384 177.328 176.300 -0.593 0.000 1.121 306 R CA 1.715 57.513 56.100 -0.504 0.000 0.997 306 R CB -1.396 28.510 30.300 -0.656 0.000 0.867 306 R HN 0.595 nan 8.270 nan 0.000 0.465 307 F N 0.424 120.211 119.950 -0.273 0.000 2.727 307 F HA 0.109 4.690 4.527 0.090 0.000 0.302 307 F C 2.475 178.030 175.800 -0.408 0.000 1.097 307 F CA 0.317 58.152 58.000 -0.275 0.000 1.330 307 F CB 0.345 39.236 39.000 -0.180 0.000 1.084 307 F HN 0.281 nan 8.300 nan 0.000 0.578 308 S N -0.307 115.124 115.700 -0.448 0.000 2.447 308 S HA -0.116 4.405 4.470 0.086 0.000 0.233 308 S C 1.122 175.689 174.600 -0.055 0.000 1.006 308 S CA 1.156 59.137 58.200 -0.365 0.000 0.957 308 S CB -0.285 62.796 63.200 -0.199 0.000 0.773 308 S HN 0.524 nan 8.310 nan 0.000 0.507 309 E N 0.624 120.799 120.200 -0.041 0.000 2.812 309 E HA 0.199 4.601 4.350 0.086 0.000 0.211 309 E C -1.179 175.439 176.600 0.029 0.000 0.986 309 E CA -0.246 56.160 56.400 0.009 0.000 1.119 309 E CB 0.480 30.177 29.700 -0.004 0.000 1.046 309 E HN 0.332 nan 8.360 nan 0.000 0.474 310 D N 1.123 121.558 120.400 0.058 0.000 2.313 310 D HA 0.111 4.803 4.640 0.086 0.000 0.239 310 D C 0.687 177.043 176.300 0.094 0.000 1.142 310 D CA -0.164 53.891 54.000 0.091 0.000 0.847 310 D CB 1.076 41.985 40.800 0.182 0.000 1.082 310 D HN 0.146 nan 8.370 nan 0.000 0.480 311 L N 2.883 124.149 121.223 0.071 0.000 2.558 311 L HA 0.095 4.487 4.340 0.086 0.000 0.225 311 L C 1.251 178.160 176.870 0.065 0.000 1.128 311 L CA 0.207 55.088 54.840 0.068 0.000 0.868 311 L CB -0.075 42.012 42.059 0.047 0.000 1.006 311 L HN 0.159 nan 8.230 nan 0.000 0.454 312 K N 1.289 121.728 120.400 0.065 0.000 2.276 312 K HA 0.156 4.528 4.320 0.086 0.000 0.259 312 K C -2.133 174.497 176.600 0.049 0.000 1.001 312 K CA -1.646 54.675 56.287 0.056 0.000 0.927 312 K CB 0.132 32.667 32.500 0.059 0.000 0.969 312 K HN -0.161 nan 8.250 nan 0.000 0.490 313 P HA -0.043 nan 4.420 nan 0.000 0.273 313 P C 0.681 177.958 177.300 -0.038 0.000 1.250 313 P CA -0.413 62.706 63.100 0.032 0.000 0.793 313 P CB 0.510 32.244 31.700 0.056 0.000 1.011 314 L N -0.180 120.963 121.223 -0.133 0.000 2.021 314 L HA -0.111 4.280 4.340 0.086 0.000 0.215 314 L C 1.160 177.907 176.870 -0.205 0.000 1.074 314 L CA 2.021 56.676 54.840 -0.308 0.000 0.760 314 L CB -1.116 40.533 42.059 -0.683 0.000 0.889 314 L HN 0.545 nan 8.230 nan 0.000 0.433 315 D N -2.592 117.767 120.400 -0.068 0.000 2.738 315 D HA 0.119 4.810 4.640 0.086 0.000 0.237 315 D C 0.797 177.201 176.300 0.174 0.000 1.123 315 D CA 0.531 54.595 54.000 0.106 0.000 0.856 315 D CB 2.051 43.005 40.800 0.258 0.000 1.552 315 D HN 0.073 nan 8.370 nan 0.000 0.480 316 S N 2.261 118.079 115.700 0.196 0.000 2.428 316 S HA -0.078 4.443 4.470 0.086 0.000 0.230 316 S C 1.095 175.812 174.600 0.196 0.000 1.014 316 S CA 0.809 59.110 58.200 0.168 0.000 0.957 316 S CB 0.045 63.333 63.200 0.147 0.000 0.784 316 S HN 0.602 nan 8.310 nan 0.000 0.499 317 E N -0.274 120.105 120.200 0.298 0.000 2.447 317 E HA 0.204 4.606 4.350 0.086 0.000 0.204 317 E C 0.459 177.250 176.600 0.318 0.000 0.977 317 E CA -0.277 56.291 56.400 0.280 0.000 0.950 317 E CB 0.549 30.420 29.700 0.285 0.000 0.975 317 E HN 0.494 nan 8.360 nan 0.000 0.496 318 C N 1.484 121.025 119.300 0.401 0.000 2.611 318 C HA 0.032 4.543 4.460 0.086 0.000 0.416 318 C C 1.710 176.860 174.990 0.266 0.000 1.366 318 C CA 0.857 60.112 59.018 0.395 0.000 1.761 318 C CB -0.448 27.576 27.740 0.474 0.000 2.619 318 C HN 0.675 nan 8.230 nan 0.000 0.606 319 H N 3.454 122.659 119.070 0.225 0.000 2.539 319 H HA 0.263 4.871 4.556 0.086 0.000 0.269 319 H C 1.243 176.665 175.328 0.156 0.000 0.980 319 H CA 0.717 56.861 56.048 0.159 0.000 1.152 319 H CB -0.909 28.929 29.762 0.127 0.000 1.407 319 H HN 1.145 nan 8.280 nan 0.000 0.564 320 C N -0.318 119.103 119.300 0.200 0.000 2.700 320 C HA 0.677 5.189 4.460 0.086 0.000 0.397 320 C C 2.440 177.544 174.990 0.189 0.000 1.301 320 C CA 0.099 59.236 59.018 0.198 0.000 2.219 320 C CB 0.006 27.892 27.740 0.242 0.000 2.699 320 C HN 0.746 nan 8.230 nan 0.000 0.669 321 A N 2.157 125.088 122.820 0.185 0.000 1.972 321 A HA -0.008 4.364 4.320 0.086 0.000 0.219 321 A C 2.074 179.806 177.584 0.247 0.000 1.169 321 A CA 2.089 54.231 52.037 0.176 0.000 0.635 321 A CB -0.858 18.257 19.000 0.190 0.000 0.810 321 A HN 1.050 nan 8.150 nan 0.000 0.446 322 V N -1.092 119.028 119.914 0.344 0.000 2.343 322 V HA -0.296 3.876 4.120 0.086 0.000 0.247 322 V C 2.466 178.768 176.094 0.346 0.000 1.051 322 V CA 2.041 64.629 62.300 0.480 0.000 1.036 322 V CB -1.057 30.983 31.823 0.362 0.000 0.654 322 V HN 0.687 nan 8.190 nan 0.000 0.451 323 C N -0.222 119.221 119.300 0.239 0.000 2.481 323 C HA 0.019 4.530 4.460 0.086 0.000 0.275 323 C C 3.248 178.299 174.990 0.102 0.000 1.419 323 C CA 0.761 59.876 59.018 0.161 0.000 1.773 323 C CB -1.267 26.582 27.740 0.181 0.000 1.862 323 C HN 0.720 nan 8.230 nan 0.000 0.530 324 Q N 0.855 120.701 119.800 0.078 0.000 2.167 324 Q HA -0.076 4.316 4.340 0.086 0.000 0.202 324 Q C 2.076 178.011 176.000 -0.108 0.000 0.970 324 Q CA 2.308 58.109 55.803 -0.003 0.000 0.855 324 Q CB -0.538 28.193 28.738 -0.012 0.000 0.911 324 Q HN 0.794 nan 8.270 nan 0.000 0.438 325 K N -2.042 118.236 120.400 -0.204 0.000 2.367 325 K HA 0.329 4.701 4.320 0.086 0.000 0.198 325 K C 0.528 176.786 176.600 -0.571 0.000 1.132 325 K CA 0.385 56.318 56.287 -0.590 0.000 0.941 325 K CB 0.429 32.150 32.500 -1.298 0.000 1.052 325 K HN 0.604 nan 8.250 nan 0.000 0.507 326 W N 1.072 122.408 121.300 0.061 0.000 2.781 326 W HA 0.533 5.217 4.660 0.040 0.000 0.345 326 W C 0.099 176.665 176.519 0.079 0.000 1.085 326 W CA -0.958 56.441 57.345 0.088 0.000 1.198 326 W CB 1.659 31.237 29.460 0.196 0.000 1.423 326 W HN 0.295 nan 8.180 nan 0.000 0.532 327 S N 0.704 116.604 115.700 0.332 0.000 2.646 327 S HA 0.382 4.904 4.470 0.086 0.000 0.276 327 S C 1.012 175.729 174.600 0.194 0.000 1.222 327 S CA -0.533 57.791 58.200 0.207 0.000 1.014 327 S CB 2.060 65.361 63.200 0.168 0.000 0.991 327 S HN 0.489 nan 8.310 nan 0.000 0.533 328 R N 0.944 121.499 120.500 0.092 0.000 2.119 328 R HA -0.174 4.217 4.340 0.086 0.000 0.246 328 R C 2.552 178.929 176.300 0.128 0.000 1.146 328 R CA 1.766 57.882 56.100 0.027 0.000 0.962 328 R CB -1.113 29.172 30.300 -0.025 0.000 0.863 328 R HN 0.852 nan 8.270 nan 0.000 0.442 329 A N 0.092 123.015 122.820 0.173 0.000 1.908 329 A HA -0.229 4.143 4.320 0.086 0.000 0.218 329 A C 1.985 179.755 177.584 0.310 0.000 1.181 329 A CA 1.363 53.528 52.037 0.212 0.000 0.627 329 A CB -0.678 18.420 19.000 0.163 0.000 0.818 329 A HN 0.467 nan 8.150 nan 0.000 0.445 330 Y N 0.389 120.790 120.300 0.168 0.000 2.220 330 Y HA -0.089 4.507 4.550 0.077 0.000 0.291 330 Y C 1.964 177.951 175.900 0.145 0.000 1.129 330 Y CA 1.381 59.590 58.100 0.182 0.000 1.161 330 Y CB -0.306 38.272 38.460 0.196 0.000 0.997 330 Y HN 0.263 nan 8.280 nan 0.000 0.522 331 I N -0.555 120.029 120.570 0.023 0.000 2.315 331 I HA -0.303 3.919 4.170 0.086 0.000 0.248 331 I C 2.417 178.471 176.117 -0.105 0.000 1.117 331 I CA 1.671 62.873 61.300 -0.162 0.000 1.404 331 I CB -0.611 37.329 38.000 -0.100 0.000 1.071 331 I HN 0.284 nan 8.210 nan 0.000 0.419 332 H N 0.623 119.657 119.070 -0.060 0.000 2.289 332 H HA -0.326 4.281 4.556 0.085 0.000 0.296 332 H C 2.370 177.683 175.328 -0.024 0.000 1.091 332 H CA 2.572 58.613 56.048 -0.013 0.000 1.274 332 H CB -0.289 29.530 29.762 0.095 0.000 1.364 332 H HN 0.424 nan 8.280 nan 0.000 0.490 333 H N -0.472 118.552 119.070 -0.076 0.000 2.319 333 H HA -0.116 4.491 4.556 0.085 0.000 0.299 333 H C 2.043 177.230 175.328 -0.235 0.000 1.092 333 H CA 1.909 57.870 56.048 -0.144 0.000 1.302 333 H CB -0.501 29.266 29.762 0.008 0.000 1.373 333 H HN 0.343 nan 8.280 nan 0.000 0.497 334 L N 0.370 121.243 121.223 -0.584 0.000 2.013 334 L HA -0.185 4.207 4.340 0.086 0.000 0.212 334 L C 2.426 179.037 176.870 -0.432 0.000 1.073 334 L CA 1.368 55.846 54.840 -0.602 0.000 0.753 334 L CB -0.951 40.762 42.059 -0.577 0.000 0.890 334 L HN 0.462 nan 8.230 nan 0.000 0.432 335 I N -1.045 119.322 120.570 -0.339 0.000 2.353 335 I HA -0.206 4.016 4.170 0.086 0.000 0.248 335 I C 2.576 178.540 176.117 -0.256 0.000 1.119 335 I CA 0.961 62.108 61.300 -0.255 0.000 1.417 335 I CB -0.937 36.944 38.000 -0.197 0.000 1.078 335 I HN 0.335 nan 8.210 nan 0.000 0.421 336 R N 0.815 121.121 120.500 -0.324 0.000 2.120 336 R HA -0.073 4.319 4.340 0.086 0.000 0.234 336 R C 1.972 178.132 176.300 -0.235 0.000 1.123 336 R CA 1.412 57.342 56.100 -0.282 0.000 0.975 336 R CB -0.246 29.840 30.300 -0.357 0.000 0.866 336 R HN 0.314 nan 8.270 nan 0.000 0.446 337 A N -0.095 122.534 122.820 -0.318 0.000 2.238 337 A HA 0.205 4.576 4.320 0.086 0.000 0.208 337 A C 1.311 178.777 177.584 -0.196 0.000 1.177 337 A CA 0.749 52.630 52.037 -0.260 0.000 0.804 337 A CB -0.009 18.760 19.000 -0.386 0.000 0.823 337 A HN 0.429 nan 8.150 nan 0.000 0.482 338 G N -0.214 108.471 108.800 -0.192 0.000 2.179 338 G HA2 -0.222 3.789 3.960 0.086 0.000 0.257 338 G HA3 -0.222 3.789 3.960 0.086 0.000 0.257 338 G C -0.213 174.600 174.900 -0.144 0.000 1.010 338 G CA 0.318 45.332 45.100 -0.144 0.000 0.736 338 G HN 0.524 nan 8.290 nan 0.000 0.513 339 E N -0.518 119.569 120.200 -0.189 0.000 2.338 339 E HA 0.347 4.749 4.350 0.086 0.000 0.272 339 E C 1.752 178.260 176.600 -0.153 0.000 1.029 339 E CA -0.625 55.675 56.400 -0.167 0.000 0.872 339 E CB 0.844 30.419 29.700 -0.209 0.000 1.015 339 E HN 0.280 nan 8.360 nan 0.000 0.417 340 I N 1.894 122.396 120.570 -0.113 0.000 2.264 340 I HA -0.296 3.925 4.170 0.086 0.000 0.248 340 I C 2.194 178.238 176.117 -0.121 0.000 1.111 340 I CA 0.722 61.963 61.300 -0.099 0.000 1.382 340 I CB -0.162 37.796 38.000 -0.069 0.000 1.060 340 I HN 0.398 nan 8.210 nan 0.000 0.418 341 L N 1.158 122.295 121.223 -0.143 0.000 2.187 341 L HA -0.096 4.296 4.340 0.086 0.000 0.213 341 L C 2.234 178.959 176.870 -0.242 0.000 1.100 341 L CA 1.934 56.663 54.840 -0.184 0.000 0.765 341 L CB -1.073 40.871 42.059 -0.190 0.000 0.904 341 L HN 0.174 nan 8.230 nan 0.000 0.437 342 G N -1.097 107.553 108.800 -0.251 0.000 2.421 342 G HA2 -0.235 3.776 3.960 0.086 0.000 0.216 342 G HA3 -0.235 3.776 3.960 0.086 0.000 0.216 342 G C 1.612 176.407 174.900 -0.176 0.000 1.171 342 G CA 0.704 45.650 45.100 -0.256 0.000 0.775 342 G HN 0.598 nan 8.290 nan 0.000 0.543 343 A N 0.602 123.339 122.820 -0.138 0.000 1.902 343 A HA 0.015 4.387 4.320 0.086 0.000 0.217 343 A C 2.473 180.011 177.584 -0.077 0.000 1.181 343 A CA 1.860 53.840 52.037 -0.095 0.000 0.623 343 A CB -0.363 18.591 19.000 -0.077 0.000 0.818 343 A HN 0.395 nan 8.150 nan 0.000 0.443 344 M N -1.207 118.338 119.600 -0.092 0.000 2.067 344 M HA -0.137 4.395 4.480 0.086 0.000 0.260 344 M C 1.991 178.253 176.300 -0.064 0.000 1.069 344 M CA 1.285 56.542 55.300 -0.072 0.000 1.117 344 M CB -0.442 32.107 32.600 -0.085 0.000 1.334 344 M HN 0.317 nan 8.290 nan 0.000 0.407 345 L N -0.255 120.894 121.223 -0.123 0.000 2.056 345 L HA -0.129 4.263 4.340 0.086 0.000 0.207 345 L C 2.462 179.331 176.870 -0.002 0.000 1.078 345 L CA 1.736 56.518 54.840 -0.096 0.000 0.749 345 L CB -0.930 40.990 42.059 -0.232 0.000 0.901 345 L HN 0.345 nan 8.230 nan 0.000 0.433 346 M N -1.269 118.309 119.600 -0.036 0.000 2.117 346 M HA -0.148 4.383 4.480 0.086 0.000 0.262 346 M C 2.156 178.497 176.300 0.069 0.000 1.065 346 M CA 1.622 56.928 55.300 0.010 0.000 1.114 346 M CB -1.434 31.139 32.600 -0.045 0.000 1.361 346 M HN 0.242 nan 8.290 nan 0.000 0.408 347 T N -0.218 114.355 114.554 0.032 0.000 2.857 347 T HA -0.146 4.255 4.350 0.086 0.000 0.266 347 T C 1.752 176.490 174.700 0.063 0.000 1.048 347 T CA 1.433 63.556 62.100 0.038 0.000 1.139 347 T CB -0.141 68.732 68.868 0.009 0.000 0.874 347 T HN 0.476 nan 8.240 nan 0.000 0.455 348 E N 0.332 120.579 120.200 0.078 0.000 2.077 348 E HA -0.248 4.154 4.350 0.086 0.000 0.193 348 E C 2.087 178.771 176.600 0.139 0.000 0.989 348 E CA 1.259 57.721 56.400 0.104 0.000 0.800 348 E CB -0.120 29.650 29.700 0.117 0.000 0.746 348 E HN 0.663 nan 8.360 nan 0.000 0.452 349 H N 0.530 119.657 119.070 0.095 0.000 2.321 349 H HA -0.074 4.531 4.556 0.081 0.000 0.300 349 H C 1.870 177.297 175.328 0.165 0.000 1.087 349 H CA 2.308 58.431 56.048 0.125 0.000 1.319 349 H CB -0.094 29.720 29.762 0.088 0.000 1.379 349 H HN 0.128 nan 8.280 nan 0.000 0.501 350 N N 0.288 118.996 118.700 0.013 0.000 2.142 350 N HA -0.105 4.687 4.740 0.086 0.000 0.186 350 N C 2.102 177.636 175.510 0.041 0.000 1.023 350 N CA 1.449 54.530 53.050 0.052 0.000 0.852 350 N CB -0.173 38.434 38.487 0.200 0.000 0.998 350 N HN 0.463 nan 8.380 nan 0.000 0.424 351 I N 0.727 121.302 120.570 0.009 0.000 2.315 351 I HA -0.180 4.041 4.170 0.086 0.000 0.248 351 I C 2.156 178.308 176.117 0.058 0.000 1.117 351 I CA 0.682 61.989 61.300 0.012 0.000 1.404 351 I CB -0.284 37.742 38.000 0.044 0.000 1.071 351 I HN 0.055 nan 8.210 nan 0.000 0.419 352 A N 0.846 123.693 122.820 0.046 0.000 1.902 352 A HA -0.254 4.118 4.320 0.086 0.000 0.217 352 A C 2.224 179.819 177.584 0.018 0.000 1.181 352 A CA 1.298 53.367 52.037 0.053 0.000 0.623 352 A CB -0.915 18.133 19.000 0.080 0.000 0.818 352 A HN 0.443 nan 8.150 nan 0.000 0.443 353 F N -0.730 119.095 119.950 -0.208 0.000 2.095 353 F HA -0.218 4.358 4.527 0.082 0.000 0.298 353 F C 2.128 177.804 175.800 -0.207 0.000 1.104 353 F CA 1.940 59.779 58.000 -0.269 0.000 1.232 353 F CB -0.414 38.323 39.000 -0.438 0.000 0.987 353 F HN 0.288 nan 8.300 nan 0.000 0.475 354 Y N 0.807 120.948 120.300 -0.265 0.000 2.207 354 Y HA -0.259 4.343 4.550 0.086 0.000 0.287 354 Y C 2.604 178.317 175.900 -0.312 0.000 1.156 354 Y CA 1.793 59.616 58.100 -0.461 0.000 1.182 354 Y CB -0.808 37.184 38.460 -0.779 0.000 0.979 354 Y HN 0.167 nan 8.280 nan 0.000 0.521 355 Q N -0.051 119.746 119.800 -0.004 0.000 2.172 355 Q HA -0.179 4.213 4.340 0.086 0.000 0.200 355 Q C 2.093 178.074 176.000 -0.032 0.000 0.964 355 Q CA 1.260 57.082 55.803 0.032 0.000 0.855 355 Q CB -0.382 28.408 28.738 0.086 0.000 0.918 355 Q HN 0.635 nan 8.270 nan 0.000 0.444 356 Q N 0.147 119.905 119.800 -0.070 0.000 2.119 356 Q HA -0.127 4.265 4.340 0.086 0.000 0.201 356 Q C 2.098 178.072 176.000 -0.042 0.000 0.972 356 Q CA 0.784 56.573 55.803 -0.024 0.000 0.847 356 Q CB -0.132 28.650 28.738 0.075 0.000 0.903 356 Q HN 0.181 nan 8.270 nan 0.000 0.433 357 L N 0.241 121.343 121.223 -0.203 0.000 2.017 357 L HA -0.195 4.196 4.340 0.086 0.000 0.208 357 L C 1.996 178.758 176.870 -0.181 0.000 1.073 357 L CA 1.774 56.507 54.840 -0.178 0.000 0.745 357 L CB -0.330 41.406 42.059 -0.538 0.000 0.894 357 L HN 0.221 nan 8.230 nan 0.000 0.432 358 M N -1.166 118.338 119.600 -0.160 0.000 2.175 358 M HA -0.145 4.386 4.480 0.086 0.000 0.264 358 M C 2.298 178.526 176.300 -0.120 0.000 1.063 358 M CA 1.399 56.638 55.300 -0.102 0.000 1.119 358 M CB -1.419 31.188 32.600 0.012 0.000 1.377 358 M HN 0.380 nan 8.290 nan 0.000 0.415 359 Q N 1.119 120.857 119.800 -0.103 0.000 2.084 359 Q HA -0.107 4.284 4.340 0.086 0.000 0.202 359 Q C 1.887 177.766 176.000 -0.202 0.000 0.978 359 Q CA 1.824 57.560 55.803 -0.112 0.000 0.844 359 Q CB -0.116 28.583 28.738 -0.066 0.000 0.898 359 Q HN 0.451 nan 8.270 nan 0.000 0.426 360 K N -0.425 119.809 120.400 -0.277 0.000 2.097 360 K HA -0.084 4.288 4.320 0.086 0.000 0.206 360 K C 2.048 178.201 176.600 -0.745 0.000 1.049 360 K CA 1.345 57.320 56.287 -0.521 0.000 0.933 360 K CB -0.138 32.002 32.500 -0.600 0.000 0.717 360 K HN 0.270 nan 8.250 nan 0.000 0.442 361 I N 0.621 120.854 120.570 -0.561 0.000 2.202 361 I HA -0.264 3.958 4.170 0.086 0.000 0.242 361 I C 2.408 178.291 176.117 -0.390 0.000 1.091 361 I CA 1.169 62.193 61.300 -0.461 0.000 1.368 361 I CB -0.175 37.657 38.000 -0.280 0.000 1.058 361 I HN 0.114 nan 8.210 nan 0.000 0.410 362 R N 0.708 121.045 120.500 -0.272 0.000 2.080 362 R HA -0.194 4.198 4.340 0.086 0.000 0.236 362 R C 1.961 178.152 176.300 -0.182 0.000 1.137 362 R CA 1.879 57.860 56.100 -0.200 0.000 0.943 362 R CB -0.523 29.702 30.300 -0.125 0.000 0.846 362 R HN 0.372 nan 8.270 nan 0.000 0.431 363 D N 0.144 120.432 120.400 -0.187 0.000 2.123 363 D HA -0.144 4.548 4.640 0.086 0.000 0.196 363 D C 2.059 178.279 176.300 -0.134 0.000 0.992 363 D CA 1.893 55.804 54.000 -0.148 0.000 0.833 363 D CB -0.312 40.397 40.800 -0.151 0.000 0.954 363 D HN 0.245 nan 8.370 nan 0.000 0.455 364 S N 0.299 115.889 115.700 -0.184 0.000 2.383 364 S HA -0.095 4.427 4.470 0.086 0.000 0.227 364 S C 2.258 176.864 174.600 0.010 0.000 1.026 364 S CA 0.514 58.674 58.200 -0.067 0.000 0.981 364 S CB -0.601 62.565 63.200 -0.056 0.000 0.818 364 S HN 0.257 nan 8.310 nan 0.000 0.472 365 I N 2.036 122.555 120.570 -0.084 0.000 2.252 365 I HA -0.123 4.098 4.170 0.086 0.000 0.245 365 I C 2.668 178.759 176.117 -0.045 0.000 1.102 365 I CA 1.240 62.500 61.300 -0.068 0.000 1.385 365 I CB -0.648 37.228 38.000 -0.206 0.000 1.064 365 I HN 0.291 nan 8.210 nan 0.000 0.414 366 S N 0.282 115.941 115.700 -0.068 0.000 2.419 366 S HA -0.182 4.340 4.470 0.086 0.000 0.235 366 S C 1.601 176.183 174.600 -0.030 0.000 1.019 366 S CA 1.292 59.461 58.200 -0.052 0.000 0.982 366 S CB -0.305 62.858 63.200 -0.061 0.000 0.789 366 S HN 0.512 nan 8.310 nan 0.000 0.490 367 E N -0.006 120.182 120.200 -0.021 0.000 2.481 367 E HA 0.265 4.667 4.350 0.086 0.000 0.198 367 E C 0.940 177.550 176.600 0.017 0.000 1.027 367 E CA 0.056 56.452 56.400 -0.006 0.000 0.900 367 E CB 0.284 29.978 29.700 -0.010 0.000 0.993 367 E HN 0.460 nan 8.360 nan 0.000 0.482 368 G N 3.032 111.850 108.800 0.030 0.000 2.273 368 G HA2 -0.346 3.666 3.960 0.086 0.000 0.280 368 G HA3 -0.346 3.666 3.960 0.086 0.000 0.280 368 G C 0.492 175.438 174.900 0.076 0.000 1.047 368 G CA 0.854 45.986 45.100 0.054 0.000 0.869 368 G HN 0.427 nan 8.290 nan 0.000 0.502 369 R N -1.629 118.933 120.500 0.103 0.000 2.642 369 R HA 0.457 4.849 4.340 0.086 0.000 0.435 369 R C 1.262 177.680 176.300 0.197 0.000 1.046 369 R CA -0.292 55.877 56.100 0.115 0.000 1.103 369 R CB -0.139 30.211 30.300 0.083 0.000 1.425 369 R HN 0.224 nan 8.270 nan 0.000 0.586 370 F N 1.635 121.622 119.950 0.062 0.000 2.186 370 F HA -0.036 4.543 4.527 0.086 0.000 0.299 370 F C 2.212 178.102 175.800 0.149 0.000 1.090 370 F CA 1.482 59.549 58.000 0.113 0.000 1.307 370 F CB -0.032 39.004 39.000 0.059 0.000 1.019 370 F HN 0.191 nan 8.300 nan 0.000 0.489 371 S N -0.359 115.289 115.700 -0.087 0.000 2.368 371 S HA -0.257 4.265 4.470 0.086 0.000 0.225 371 S C 2.116 176.637 174.600 -0.131 0.000 1.030 371 S CA 1.514 59.587 58.200 -0.211 0.000 0.999 371 S CB -0.518 62.634 63.200 -0.081 0.000 0.844 371 S HN 0.550 nan 8.310 nan 0.000 0.459 372 Q N 0.338 120.124 119.800 -0.023 0.000 2.084 372 Q HA -0.073 4.318 4.340 0.086 0.000 0.202 372 Q C 1.752 177.765 176.000 0.022 0.000 0.978 372 Q CA 2.014 57.819 55.803 0.004 0.000 0.844 372 Q CB -0.866 27.896 28.738 0.039 0.000 0.898 372 Q HN 0.671 nan 8.270 nan 0.000 0.426 373 F N 0.274 120.196 119.950 -0.047 0.000 2.095 373 F HA -0.165 4.414 4.527 0.086 0.000 0.298 373 F C 1.894 177.681 175.800 -0.022 0.000 1.104 373 F CA 1.787 59.779 58.000 -0.013 0.000 1.232 373 F CB -0.772 38.263 39.000 0.060 0.000 0.987 373 F HN 0.128 nan 8.300 nan 0.000 0.475 374 A N 0.163 122.799 122.820 -0.307 0.000 1.902 374 A HA -0.205 4.167 4.320 0.086 0.000 0.217 374 A C 2.257 179.740 177.584 -0.169 0.000 1.181 374 A CA 2.637 54.469 52.037 -0.342 0.000 0.623 374 A CB -1.639 17.079 19.000 -0.469 0.000 0.818 374 A HN 0.574 nan 8.150 nan 0.000 0.443 375 Q N -0.201 119.513 119.800 -0.144 0.000 2.050 375 Q HA -0.260 4.131 4.340 0.086 0.000 0.202 375 Q C 1.785 177.742 176.000 -0.072 0.000 0.980 375 Q CA 2.006 57.766 55.803 -0.072 0.000 0.840 375 Q CB -1.029 27.676 28.738 -0.055 0.000 0.898 375 Q HN 0.722 nan 8.270 nan 0.000 0.424 376 D N -0.672 119.664 120.400 -0.107 0.000 2.144 376 D HA -0.078 4.614 4.640 0.086 0.000 0.199 376 D C 1.607 177.830 176.300 -0.129 0.000 0.984 376 D CA 1.297 55.238 54.000 -0.098 0.000 0.834 376 D CB -0.465 40.286 40.800 -0.080 0.000 0.955 376 D HN 0.565 nan 8.370 nan 0.000 0.465 377 F N 1.950 121.656 119.950 -0.407 0.000 2.075 377 F HA -0.139 4.439 4.527 0.085 0.000 0.297 377 F C 2.315 178.053 175.800 -0.104 0.000 1.113 377 F CA 1.464 59.254 58.000 -0.351 0.000 1.218 377 F CB -0.099 38.480 39.000 -0.702 0.000 0.984 377 F HN -0.226 nan 8.300 nan 0.000 0.472 378 R N 0.285 120.638 120.500 -0.246 0.000 2.073 378 R HA -0.131 4.261 4.340 0.086 0.000 0.234 378 R C 2.517 178.807 176.300 -0.018 0.000 1.134 378 R CA 1.332 57.362 56.100 -0.117 0.000 0.952 378 R CB -0.967 29.436 30.300 0.172 0.000 0.850 378 R HN 0.437 nan 8.270 nan 0.000 0.433 379 A N 0.975 123.784 122.820 -0.019 0.000 1.908 379 A HA -0.220 4.152 4.320 0.086 0.000 0.218 379 A C 2.134 179.708 177.584 -0.018 0.000 1.181 379 A CA 1.598 53.642 52.037 0.012 0.000 0.627 379 A CB -0.430 18.569 19.000 -0.002 0.000 0.818 379 A HN 0.251 nan 8.150 nan 0.000 0.445 380 R N -2.598 117.854 120.500 -0.080 0.000 2.080 380 R HA -0.064 4.327 4.340 0.086 0.000 0.222 380 R C 2.077 178.305 176.300 -0.119 0.000 1.107 380 R CA 1.269 57.332 56.100 -0.061 0.000 0.980 380 R CB -0.422 29.867 30.300 -0.017 0.000 0.879 380 R HN 0.560 nan 8.270 nan 0.000 0.439 381 Y N -0.327 119.685 120.300 -0.480 0.000 2.274 381 Y HA -0.128 4.473 4.550 0.085 0.000 0.290 381 Y C 0.578 176.094 175.900 -0.640 0.000 1.145 381 Y CA 1.450 59.146 58.100 -0.673 0.000 1.203 381 Y CB 0.202 37.888 38.460 -1.290 0.000 0.984 381 Y HN 0.018 nan 8.280 nan 0.000 0.533 382 F N -0.159 119.763 119.950 -0.047 0.000 2.684 382 F HA 0.439 5.018 4.527 0.088 0.000 0.298 382 F C 1.136 176.904 175.800 -0.054 0.000 1.120 382 F CA -0.354 57.617 58.000 -0.048 0.000 1.332 382 F CB -0.946 38.059 39.000 0.008 0.000 0.986 382 F HN -0.010 nan 8.300 nan 0.000 0.524 383 A N 0.000 122.846 122.820 0.043 0.000 2.254 383 A HA 0.000 4.372 4.320 0.086 0.000 0.244 383 A CA 0.000 52.058 52.037 0.034 0.000 0.836 383 A CB 0.000 19.003 19.000 0.006 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486