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 2bbf_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LXXXTKQSEE GVTFKSHLXX SRHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.313 176.300 0.022 0.000 0.893 11 R CA 0.000 56.104 56.100 0.006 0.000 0.921 11 R CB 0.000 30.301 30.300 0.002 0.000 0.687 12 P HA 0.294 nan 4.420 nan 0.000 0.276 12 P C 0.390 177.742 177.300 0.088 0.000 1.252 12 P CA -0.606 62.526 63.100 0.055 0.000 0.802 12 P CB 1.436 33.167 31.700 0.051 0.000 1.035 13 R N 0.212 120.788 120.500 0.127 0.000 2.081 13 R HA -0.045 4.347 4.340 0.086 0.000 0.235 13 R C -0.312 176.168 176.300 0.300 0.000 1.131 13 R CA 1.131 57.340 56.100 0.181 0.000 0.960 13 R CB -0.093 30.319 30.300 0.185 0.000 0.856 13 R HN 0.528 nan 8.270 nan 0.000 0.436 14 F N -0.535 119.472 119.950 0.096 0.000 2.639 14 F HA 0.295 4.873 4.527 0.086 0.000 0.326 14 F C -1.671 174.198 175.800 0.116 0.000 1.150 14 F CA -0.572 57.498 58.000 0.117 0.000 1.057 14 F CB 1.991 41.077 39.000 0.142 0.000 1.300 14 F HN -0.149 nan 8.300 nan 0.000 0.486 15 S N 6.701 122.165 115.700 -0.393 0.000 2.750 15 S HA 0.507 5.029 4.470 0.086 0.000 0.276 15 S C -1.971 172.450 174.600 -0.300 0.000 1.165 15 S CA -0.361 57.708 58.200 -0.218 0.000 1.047 15 S CB 0.416 63.570 63.200 -0.076 0.000 1.056 15 S HN 0.559 nan 8.310 nan 0.000 0.481 16 F N 4.582 124.302 119.950 -0.383 0.000 2.404 16 F HA 0.744 5.322 4.527 0.085 0.000 0.354 16 F C -0.310 175.417 175.800 -0.121 0.000 1.122 16 F CA -0.509 57.334 58.000 -0.262 0.000 1.080 16 F CB 1.383 40.299 39.000 -0.141 0.000 1.131 16 F HN 0.435 nan 8.300 nan 0.000 0.471 17 S N 6.988 122.350 115.700 -0.563 0.000 2.532 17 S HA 0.606 5.128 4.470 0.086 0.000 0.299 17 S C -0.541 173.641 174.600 -0.695 0.000 1.105 17 S CA -0.634 57.246 58.200 -0.532 0.000 1.018 17 S CB 1.389 64.434 63.200 -0.258 0.000 1.021 17 S HN 0.517 nan 8.310 nan 0.000 0.483 18 I N 2.653 122.865 120.570 -0.596 0.000 2.312 18 I HA 0.333 4.555 4.170 0.086 0.000 0.290 18 I C 1.034 177.010 176.117 -0.234 0.000 1.008 18 I CA -0.454 60.586 61.300 -0.433 0.000 1.226 18 I CB 1.425 39.212 38.000 -0.356 0.000 1.371 18 I HN 0.846 nan 8.210 nan 0.000 0.468 19 A N 5.357 128.072 122.820 -0.175 0.000 1.984 19 A HA 0.633 5.005 4.320 0.086 0.000 0.214 19 A C 0.945 178.477 177.584 -0.087 0.000 1.173 19 A CA 0.762 52.729 52.037 -0.116 0.000 0.673 19 A CB 0.207 19.149 19.000 -0.095 0.000 0.830 19 A HN 0.738 nan 8.150 nan 0.000 0.453 20 A N -0.883 121.887 122.820 -0.084 0.000 2.604 20 A HA 0.745 5.117 4.320 0.086 0.000 0.295 20 A C -0.736 176.816 177.584 -0.053 0.000 1.067 20 A CA -0.768 51.233 52.037 -0.059 0.000 0.683 20 A CB 1.111 20.081 19.000 -0.051 0.000 1.281 20 A HN 0.266 nan 8.150 nan 0.000 0.407 21 R N 0.170 120.652 120.500 -0.031 0.000 2.774 21 R HA 0.748 5.139 4.340 0.086 0.000 0.272 21 R C -1.398 174.910 176.300 0.014 0.000 1.000 21 R CA -0.730 55.361 56.100 -0.014 0.000 0.906 21 R CB 2.584 32.881 30.300 -0.006 0.000 1.227 21 R HN 0.793 nan 8.270 nan 0.000 0.468 22 E N 0.557 120.781 120.200 0.039 0.000 2.367 22 E HA 0.300 4.702 4.350 0.086 0.000 0.292 22 E C -0.109 176.555 176.600 0.107 0.000 0.900 22 E CA 0.227 56.677 56.400 0.083 0.000 0.807 22 E CB 1.238 31.021 29.700 0.138 0.000 1.337 22 E HN 0.810 nan 8.360 nan 0.000 0.394 23 G N 4.521 113.370 108.800 0.082 0.000 2.583 23 G HA2 -0.386 3.625 3.960 0.086 0.000 0.292 23 G HA3 -0.386 3.625 3.960 0.086 0.000 0.292 23 G C 0.583 175.526 174.900 0.072 0.000 1.203 23 G CA 0.518 45.665 45.100 0.079 0.000 0.987 23 G HN 0.568 nan 8.290 nan 0.000 0.554 24 K N 1.367 121.816 120.400 0.082 0.000 2.426 24 K HA 0.500 4.871 4.320 0.086 0.000 0.193 24 K C 1.350 177.997 176.600 0.078 0.000 1.028 24 K CA 0.528 56.859 56.287 0.075 0.000 1.047 24 K CB 0.270 32.809 32.500 0.065 0.000 0.821 24 K HN 0.769 nan 8.250 nan 0.000 0.513 25 A N 1.888 124.754 122.820 0.077 0.000 2.371 25 A HA 0.383 4.755 4.320 0.086 0.000 0.257 25 A C -0.338 177.227 177.584 -0.031 0.000 1.089 25 A CA -0.137 51.897 52.037 -0.004 0.000 0.794 25 A CB 0.309 19.245 19.000 -0.107 0.000 1.029 25 A HN 0.169 nan 8.150 nan 0.000 0.488 26 R N -0.061 120.408 120.500 -0.052 0.000 2.771 26 R HA 0.750 5.142 4.340 0.086 0.000 0.274 26 R C -0.724 175.543 176.300 -0.054 0.000 0.987 26 R CA -0.436 55.643 56.100 -0.035 0.000 0.908 26 R CB 2.070 32.385 30.300 0.024 0.000 1.213 26 R HN 0.667 nan 8.270 nan 0.000 0.468 27 T N -0.149 114.368 114.554 -0.062 0.000 2.912 27 T HA 0.821 5.223 4.350 0.086 0.000 0.299 27 T C -0.593 174.073 174.700 -0.058 0.000 1.052 27 T CA 0.070 62.138 62.100 -0.054 0.000 0.996 27 T CB 1.458 70.272 68.868 -0.090 0.000 1.070 27 T HN 0.772 nan 8.240 nan 0.000 0.465 28 G N 1.932 110.720 108.800 -0.021 0.000 2.474 28 G HA2 0.623 4.635 3.960 0.086 0.000 0.234 28 G HA3 0.623 4.635 3.960 0.086 0.000 0.234 28 G C -0.819 174.082 174.900 0.001 0.000 1.204 28 G CA 0.108 45.166 45.100 -0.070 0.000 0.939 28 G HN 1.216 nan 8.290 nan 0.000 0.491 29 T N -1.845 112.700 114.554 -0.015 0.000 2.894 29 T HA 0.719 5.120 4.350 0.086 0.000 0.309 29 T C -1.147 173.615 174.700 0.103 0.000 1.208 29 T CA -0.573 61.552 62.100 0.041 0.000 1.016 29 T CB 1.943 70.799 68.868 -0.019 0.000 1.192 29 T HN 0.657 nan 8.240 nan 0.000 0.491 30 I N 1.642 122.256 120.570 0.072 0.000 2.411 30 I HA 0.348 4.569 4.170 0.086 0.000 0.284 30 I C -0.050 176.010 176.117 -0.094 0.000 1.012 30 I CA -0.683 60.592 61.300 -0.043 0.000 1.119 30 I CB 1.710 39.675 38.000 -0.059 0.000 1.261 30 I HN 0.657 nan 8.210 nan 0.000 0.448 31 E N 7.568 127.680 120.200 -0.146 0.000 2.174 31 E HA 0.589 4.991 4.350 0.086 0.000 0.282 31 E C -0.755 175.806 176.600 -0.065 0.000 0.992 31 E CA -0.388 55.964 56.400 -0.081 0.000 0.803 31 E CB 1.886 31.549 29.700 -0.062 0.000 1.090 31 E HN 0.480 nan 8.360 nan 0.000 0.396 32 M N 1.539 121.140 119.600 0.001 0.000 2.691 32 M HA 0.292 4.824 4.480 0.086 0.000 0.293 32 M C 0.840 177.165 176.300 0.042 0.000 1.259 32 M CA -0.819 54.518 55.300 0.062 0.000 0.827 32 M CB 1.762 34.428 32.600 0.110 0.000 1.753 32 M HN 0.253 nan 8.290 nan 0.000 0.465 33 K N 0.278 120.710 120.400 0.053 0.000 2.103 33 K HA -0.090 4.282 4.320 0.086 0.000 0.207 33 K C 1.446 178.039 176.600 -0.011 0.000 1.048 33 K CA 1.572 57.871 56.287 0.020 0.000 0.930 33 K CB 0.025 32.537 32.500 0.021 0.000 0.716 33 K HN 0.432 nan 8.250 nan 0.000 0.444 34 R N -0.156 120.335 120.500 -0.015 0.000 2.310 34 R HA 0.093 4.485 4.340 0.086 0.000 0.202 34 R C 0.335 176.612 176.300 -0.039 0.000 0.933 34 R CA 0.194 56.264 56.100 -0.051 0.000 1.054 34 R CB 0.817 31.070 30.300 -0.079 0.000 0.985 34 R HN 0.230 nan 8.270 nan 0.000 0.489 35 G N -0.670 108.123 108.800 -0.013 0.000 2.356 35 G HA2 0.047 4.059 3.960 0.086 0.000 0.300 35 G HA3 0.047 4.059 3.960 0.086 0.000 0.300 35 G C -1.601 173.302 174.900 0.004 0.000 1.331 35 G CA -1.021 44.070 45.100 -0.015 0.000 0.905 35 G HN -0.092 nan 8.290 nan 0.000 0.587 36 V N 0.464 120.379 119.914 0.001 0.000 2.472 36 V HA 0.641 4.813 4.120 0.086 0.000 0.290 36 V C 0.255 176.365 176.094 0.027 0.000 1.037 36 V CA -0.535 61.768 62.300 0.005 0.000 0.908 36 V CB 1.469 33.289 31.823 -0.005 0.000 0.985 36 V HN 0.603 nan 8.190 nan 0.000 0.454 37 I N 4.748 125.337 120.570 0.032 0.000 2.355 37 I HA 0.475 4.696 4.170 0.086 0.000 0.288 37 I C 0.214 176.364 176.117 0.054 0.000 0.999 37 I CA -0.491 60.840 61.300 0.051 0.000 1.163 37 I CB 1.343 39.373 38.000 0.050 0.000 1.316 37 I HN 0.489 nan 8.210 nan 0.000 0.454 38 R N 3.964 124.498 120.500 0.057 0.000 2.298 38 R HA 0.417 4.808 4.340 0.086 0.000 0.310 38 R C -0.078 176.264 176.300 0.070 0.000 1.068 38 R CA -0.314 55.818 56.100 0.052 0.000 0.957 38 R CB 1.096 31.419 30.300 0.039 0.000 1.003 38 R HN 0.656 nan 8.270 nan 0.000 0.454 39 T N 0.566 115.169 114.554 0.082 0.000 2.885 39 T HA 0.465 4.867 4.350 0.086 0.000 0.285 39 T C -2.623 172.112 174.700 0.059 0.000 1.019 39 T CA -2.868 59.291 62.100 0.098 0.000 1.010 39 T CB 2.160 71.124 68.868 0.159 0.000 1.022 39 T HN 0.185 nan 8.240 nan 0.000 0.466 40 P HA 0.416 nan 4.420 nan 0.000 0.268 40 P C -1.013 176.387 177.300 0.166 0.000 1.204 40 P CA -0.135 63.047 63.100 0.137 0.000 0.768 40 P CB 0.394 32.198 31.700 0.174 0.000 0.842 41 A N 3.366 126.312 122.820 0.211 0.000 2.374 41 A HA 0.705 5.077 4.320 0.086 0.000 0.317 41 A C -1.478 176.302 177.584 0.326 0.000 1.094 41 A CA -0.490 51.668 52.037 0.202 0.000 0.765 41 A CB 0.672 19.731 19.000 0.098 0.000 1.268 41 A HN 0.467 nan 8.150 nan 0.000 0.438 42 F N 2.154 122.197 119.950 0.155 0.000 2.467 42 F HA 0.685 5.262 4.527 0.082 0.000 0.336 42 F C -0.396 175.455 175.800 0.085 0.000 1.123 42 F CA -0.917 57.187 58.000 0.173 0.000 0.964 42 F CB 1.550 40.647 39.000 0.162 0.000 1.136 42 F HN 0.483 nan 8.300 nan 0.000 0.447 43 M N 8.413 127.536 119.600 -0.795 0.000 2.066 43 M HA 0.362 4.893 4.480 0.086 0.000 0.340 43 M C -2.489 173.333 176.300 -0.797 0.000 1.053 43 M CA -1.799 53.140 55.300 -0.602 0.000 0.983 43 M CB 1.229 33.575 32.600 -0.423 0.000 1.520 43 M HN 0.330 nan 8.290 nan 0.000 0.428 44 P HA 0.077 nan 4.420 nan 0.000 0.269 44 P C -0.731 176.394 177.300 -0.292 0.000 1.209 44 P CA -0.268 62.673 63.100 -0.265 0.000 0.776 44 P CB 0.590 32.207 31.700 -0.138 0.000 0.876 45 V N 2.876 122.669 119.914 -0.201 0.000 2.432 45 V HA 0.496 4.668 4.120 0.086 0.000 0.275 45 V C 1.179 177.173 176.094 -0.168 0.000 1.043 45 V CA 0.179 62.373 62.300 -0.176 0.000 0.925 45 V CB 0.919 32.674 31.823 -0.114 0.000 0.985 45 V HN 0.776 nan 8.190 nan 0.000 0.466 46 G N 2.272 110.960 108.800 -0.186 0.000 4.782 46 G HA2 0.269 4.281 3.960 0.086 0.000 0.327 46 G HA3 0.269 4.281 3.960 0.086 0.000 0.327 46 G C 0.702 175.520 174.900 -0.137 0.000 1.466 46 G CA -0.019 44.980 45.100 -0.168 0.000 1.017 46 G HN 0.656 nan 8.290 nan 0.000 0.543 47 T N 1.202 115.667 114.554 -0.149 0.000 2.665 47 T HA -0.144 4.258 4.350 0.086 0.000 0.268 47 T C 2.141 176.773 174.700 -0.112 0.000 1.035 47 T CA 1.792 63.772 62.100 -0.199 0.000 1.151 47 T CB 0.110 68.753 68.868 -0.375 0.000 0.862 47 T HN 0.520 nan 8.240 nan 0.000 0.438 48 A N 0.114 122.895 122.820 -0.065 0.000 2.797 48 A HA 0.725 5.097 4.320 0.086 0.000 0.287 48 A C 1.199 178.803 177.584 0.034 0.000 1.369 48 A CA 0.428 52.473 52.037 0.012 0.000 0.968 48 A CB -0.997 18.018 19.000 0.024 0.000 1.069 48 A HN 0.923 nan 8.150 nan 0.000 0.571 49 A N -1.193 121.640 122.820 0.022 0.000 2.925 49 A HA -0.074 4.298 4.320 0.086 0.000 0.265 49 A C 0.600 178.171 177.584 -0.022 0.000 1.419 49 A CA 1.365 53.431 52.037 0.048 0.000 0.807 49 A CB -2.265 16.866 19.000 0.219 0.000 1.043 49 A HN 2.096 nan 8.150 nan 0.000 0.600 50 T N -1.655 112.864 114.554 -0.058 0.000 3.225 50 T HA 0.471 4.873 4.350 0.086 0.000 0.356 50 T C -0.771 173.873 174.700 -0.092 0.000 1.460 50 T CA 0.304 62.360 62.100 -0.074 0.000 1.126 50 T CB 1.294 70.127 68.868 -0.058 0.000 1.321 50 T HN 1.219 nan 8.240 nan 0.000 0.478 51 V N 6.323 126.173 119.914 -0.106 0.000 2.372 51 V HA 0.315 4.487 4.120 0.086 0.000 0.261 51 V C 0.810 176.865 176.094 -0.066 0.000 1.055 51 V CA -0.551 61.684 62.300 -0.108 0.000 0.930 51 V CB 0.406 32.150 31.823 -0.132 0.000 1.031 51 V HN 0.823 nan 8.190 nan 0.000 0.479 52 K N 4.503 124.868 120.400 -0.058 0.000 2.477 52 K HA 0.065 4.436 4.320 0.086 0.000 0.275 52 K C 1.170 177.750 176.600 -0.034 0.000 1.054 52 K CA 0.866 57.128 56.287 -0.042 0.000 1.135 52 K CB -0.014 32.464 32.500 -0.037 0.000 0.854 52 K HN 1.113 nan 8.250 nan 0.000 0.484 53 A N 2.312 125.113 122.820 -0.031 0.000 3.021 53 A HA -0.199 4.173 4.320 0.086 0.000 0.257 53 A C -0.174 177.400 177.584 -0.017 0.000 1.277 53 A CA 0.856 52.876 52.037 -0.028 0.000 1.012 53 A CB -1.980 16.999 19.000 -0.034 0.000 1.147 53 A HN 0.564 nan 8.150 nan 0.000 0.861 54 L N -0.879 120.337 121.223 -0.012 0.000 2.408 54 L HA 0.462 4.854 4.340 0.086 0.000 0.268 54 L C 0.337 177.217 176.870 0.017 0.000 0.986 54 L CA -0.854 53.991 54.840 0.008 0.000 0.820 54 L CB 1.960 44.028 42.059 0.015 0.000 1.303 54 L HN 0.244 nan 8.230 nan 0.000 0.411 55 K N 2.502 122.925 120.400 0.037 0.000 2.202 55 K HA 0.191 4.562 4.320 0.086 0.000 0.264 55 K C -1.660 174.996 176.600 0.094 0.000 1.010 55 K CA -1.460 54.857 56.287 0.051 0.000 0.940 55 K CB 1.102 33.635 32.500 0.054 0.000 0.983 55 K HN 0.229 nan 8.250 nan 0.000 0.475 56 P HA -0.251 nan 4.420 nan 0.000 0.216 56 P C 0.730 178.203 177.300 0.288 0.000 1.150 56 P CA 1.357 64.624 63.100 0.278 0.000 0.837 56 P CB 0.115 32.011 31.700 0.328 0.000 0.786 57 E N -1.155 119.144 120.200 0.165 0.000 2.153 57 E HA -0.140 4.262 4.350 0.086 0.000 0.194 57 E C 1.273 177.955 176.600 0.137 0.000 0.988 57 E CA 1.485 57.959 56.400 0.124 0.000 0.811 57 E CB -1.435 28.311 29.700 0.077 0.000 0.746 57 E HN 0.171 nan 8.360 nan 0.000 0.466 58 T N 1.200 115.834 114.554 0.133 0.000 2.812 58 T HA -0.057 4.344 4.350 0.086 0.000 0.264 58 T C 2.120 176.909 174.700 0.148 0.000 1.042 58 T CA 1.130 63.305 62.100 0.125 0.000 1.140 58 T CB -0.161 68.767 68.868 0.100 0.000 0.870 58 T HN 0.029 nan 8.240 nan 0.000 0.445 59 V N 1.943 121.961 119.914 0.174 0.000 2.287 59 V HA -0.183 3.989 4.120 0.086 0.000 0.248 59 V C 2.671 178.937 176.094 0.287 0.000 1.053 59 V CA 1.747 64.157 62.300 0.184 0.000 1.027 59 V CB -0.581 31.310 31.823 0.114 0.000 0.646 59 V HN 0.263 nan 8.190 nan 0.000 0.447 60 R N 1.229 121.960 120.500 0.385 0.000 2.081 60 R HA -0.056 4.335 4.340 0.086 0.000 0.235 60 R C 2.131 178.537 176.300 0.176 0.000 1.131 60 R CA 1.879 58.155 56.100 0.293 0.000 0.960 60 R CB -1.066 29.308 30.300 0.122 0.000 0.856 60 R HN 0.427 nan 8.270 nan 0.000 0.436 61 A N -0.355 122.555 122.820 0.149 0.000 1.978 61 A HA -0.168 4.204 4.320 0.086 0.000 0.220 61 A C 2.112 179.778 177.584 0.136 0.000 1.170 61 A CA 2.091 54.203 52.037 0.125 0.000 0.636 61 A CB -1.208 17.863 19.000 0.117 0.000 0.810 61 A HN 0.647 nan 8.150 nan 0.000 0.448 62 T N -4.452 110.188 114.554 0.144 0.000 3.035 62 T HA 0.333 4.735 4.350 0.086 0.000 0.268 62 T C 1.417 176.199 174.700 0.137 0.000 1.109 62 T CA 1.364 63.543 62.100 0.132 0.000 1.119 62 T CB -0.036 68.902 68.868 0.117 0.000 0.900 62 T HN 1.676 nan 8.240 nan 0.000 0.503 63 G N 0.666 109.557 108.800 0.151 0.000 2.192 63 G HA2 0.103 4.115 3.960 0.086 0.000 0.193 63 G HA3 0.103 4.115 3.960 0.086 0.000 0.193 63 G C 0.238 175.238 174.900 0.167 0.000 0.999 63 G CA -0.191 44.995 45.100 0.143 0.000 0.659 63 G HN 1.070 nan 8.290 nan 0.000 0.503 64 A N 0.362 123.309 122.820 0.212 0.000 2.477 64 A HA 0.539 4.911 4.320 0.086 0.000 0.246 64 A C 0.977 178.753 177.584 0.321 0.000 1.078 64 A CA 0.949 53.132 52.037 0.244 0.000 0.770 64 A CB 0.308 19.436 19.000 0.214 0.000 1.011 64 A HN 0.162 nan 8.150 nan 0.000 0.494 65 D N 0.463 121.017 120.400 0.258 0.000 2.392 65 D HA 0.225 4.917 4.640 0.086 0.000 0.206 65 D C 0.180 176.697 176.300 0.362 0.000 1.046 65 D CA 0.783 54.930 54.000 0.245 0.000 0.865 65 D CB 0.507 41.389 40.800 0.137 0.000 0.969 65 D HN 0.581 nan 8.370 nan 0.000 0.509 66 I N 0.440 121.207 120.570 0.329 0.000 2.908 66 I HA 0.287 4.509 4.170 0.086 0.000 0.300 66 I C -1.772 174.300 176.117 -0.076 0.000 1.385 66 I CA -0.935 60.517 61.300 0.253 0.000 1.004 66 I CB 2.242 40.299 38.000 0.094 0.000 1.309 66 I HN -0.226 nan 8.210 nan 0.000 0.449 67 I N 3.743 124.134 120.570 -0.298 0.000 3.108 67 I HA 0.600 4.822 4.170 0.086 0.000 0.312 67 I C -1.818 174.096 176.117 -0.339 0.000 1.095 67 I CA -0.985 60.028 61.300 -0.479 0.000 1.000 67 I CB 2.107 39.598 38.000 -0.848 0.000 1.229 67 I HN 0.628 nan 8.210 nan 0.000 0.454 68 L N 2.318 123.356 121.223 -0.308 0.000 2.307 68 L HA 0.849 5.241 4.340 0.086 0.000 0.284 68 L C 0.013 176.776 176.870 -0.178 0.000 1.023 68 L CA -0.088 54.623 54.840 -0.216 0.000 0.810 68 L CB 1.358 43.309 42.059 -0.179 0.000 1.231 68 L HN 0.933 nan 8.230 nan 0.000 0.423 69 G N 2.628 111.353 108.800 -0.126 0.000 2.597 69 G HA2 0.340 4.352 3.960 0.086 0.000 0.317 69 G HA3 0.340 4.352 3.960 0.086 0.000 0.317 69 G C -1.647 173.241 174.900 -0.020 0.000 1.230 69 G CA -0.717 44.333 45.100 -0.085 0.000 0.996 69 G HN 0.696 nan 8.290 nan 0.000 0.490 70 N N -0.994 117.720 118.700 0.024 0.000 2.410 70 N HA 0.272 5.064 4.740 0.086 0.000 0.287 70 N C 0.975 176.578 175.510 0.155 0.000 1.044 70 N CA -0.545 52.576 53.050 0.119 0.000 0.881 70 N CB 1.664 40.256 38.487 0.175 0.000 1.405 70 N HN 0.299 nan 8.380 nan 0.000 0.490 71 T N 1.689 116.339 114.554 0.160 0.000 2.708 71 T HA -0.204 4.198 4.350 0.086 0.000 0.266 71 T C 1.462 176.257 174.700 0.159 0.000 1.037 71 T CA 1.298 63.481 62.100 0.137 0.000 1.146 71 T CB -0.411 68.546 68.868 0.148 0.000 0.865 71 T HN 0.597 nan 8.240 nan 0.000 0.435 72 Y N 1.762 122.120 120.300 0.096 0.000 2.070 72 Y HA -0.275 4.326 4.550 0.086 0.000 0.280 72 Y C 2.416 178.315 175.900 -0.001 0.000 1.148 72 Y CA 1.844 59.952 58.100 0.014 0.000 1.125 72 Y CB -0.745 37.651 38.460 -0.106 0.000 0.975 72 Y HN 0.380 nan 8.280 nan 0.000 0.492 73 H N -0.363 118.669 119.070 -0.064 0.000 2.353 73 H HA -0.102 4.507 4.556 0.088 0.000 0.300 73 H C 2.267 177.528 175.328 -0.113 0.000 1.090 73 H CA 2.016 57.985 56.048 -0.132 0.000 1.327 73 H CB -0.536 29.252 29.762 0.044 0.000 1.383 73 H HN 0.344 nan 8.280 nan 0.000 0.508 74 L N 0.369 121.633 121.223 0.068 0.000 2.201 74 L HA -0.129 4.263 4.340 0.086 0.000 0.212 74 L C 2.352 179.179 176.870 -0.071 0.000 1.105 74 L CA 1.089 55.931 54.840 0.003 0.000 0.775 74 L CB -0.420 41.643 42.059 0.007 0.000 0.913 74 L HN 0.445 nan 8.230 nan 0.000 0.440 75 M N -1.599 117.942 119.600 -0.099 0.000 2.394 75 M HA -0.109 4.423 4.480 0.086 0.000 0.264 75 M C 1.829 177.983 176.300 -0.244 0.000 1.073 75 M CA 1.731 56.939 55.300 -0.152 0.000 1.111 75 M CB -0.272 32.252 32.600 -0.126 0.000 1.401 75 M HN 0.141 nan 8.290 nan 0.000 0.448 76 L N -0.185 120.887 121.223 -0.253 0.000 2.168 76 L HA 0.217 4.608 4.340 0.086 0.000 0.203 76 L C 1.298 178.090 176.870 -0.130 0.000 1.078 76 L CA 0.444 55.137 54.840 -0.246 0.000 0.780 76 L CB 0.104 42.009 42.059 -0.257 0.000 0.939 76 L HN 0.340 nan 8.230 nan 0.000 0.451 77 R N 0.104 120.553 120.500 -0.085 0.000 2.508 77 R HA 0.208 4.600 4.340 0.086 0.000 0.283 77 R C -2.335 173.964 176.300 -0.001 0.000 1.120 77 R CA -1.056 55.024 56.100 -0.033 0.000 0.958 77 R CB 1.982 32.277 30.300 -0.009 0.000 1.215 77 R HN -0.280 nan 8.270 nan 0.000 0.427 78 P HA 0.168 nan 4.420 nan 0.000 0.249 78 P C -0.114 177.132 177.300 -0.091 0.000 1.229 78 P CA 0.597 63.675 63.100 -0.037 0.000 0.788 78 P CB 0.637 32.321 31.700 -0.028 0.000 1.072 79 G N -0.412 108.320 108.800 -0.114 0.000 2.841 79 G HA2 0.115 4.127 3.960 0.086 0.000 0.684 79 G HA3 0.115 4.127 3.960 0.086 0.000 0.684 79 G C 0.575 175.390 174.900 -0.141 0.000 1.273 79 G CA -0.392 44.634 45.100 -0.123 0.000 0.811 79 G HN 0.148 nan 8.290 nan 0.000 0.631 80 A N 1.094 123.841 122.820 -0.120 0.000 1.873 80 A HA 0.142 4.514 4.320 0.086 0.000 0.215 80 A C 2.090 179.605 177.584 -0.115 0.000 1.186 80 A CA 2.426 54.396 52.037 -0.111 0.000 0.616 80 A CB -0.410 18.542 19.000 -0.080 0.000 0.823 80 A HN 0.873 nan 8.150 nan 0.000 0.442 81 E N -0.507 119.638 120.200 -0.093 0.000 2.085 81 E HA -0.180 4.221 4.350 0.086 0.000 0.194 81 E C 2.144 178.683 176.600 -0.102 0.000 0.994 81 E CA 1.426 57.777 56.400 -0.081 0.000 0.801 81 E CB -0.244 29.422 29.700 -0.057 0.000 0.743 81 E HN 0.625 nan 8.360 nan 0.000 0.453 82 R N 0.352 120.780 120.500 -0.121 0.000 2.073 82 R HA -0.094 4.298 4.340 0.086 0.000 0.234 82 R C 2.203 178.371 176.300 -0.219 0.000 1.134 82 R CA 1.415 57.429 56.100 -0.144 0.000 0.952 82 R CB -0.346 29.868 30.300 -0.144 0.000 0.850 82 R HN 0.181 nan 8.270 nan 0.000 0.433 83 I N 0.827 121.217 120.570 -0.300 0.000 2.286 83 I HA -0.253 3.969 4.170 0.086 0.000 0.248 83 I C 2.519 178.501 176.117 -0.224 0.000 1.115 83 I CA 1.258 62.315 61.300 -0.405 0.000 1.392 83 I CB -0.355 37.400 38.000 -0.408 0.000 1.065 83 I HN 0.365 nan 8.210 nan 0.000 0.418 84 A N 0.604 123.327 122.820 -0.162 0.000 1.902 84 A HA -0.264 4.107 4.320 0.086 0.000 0.217 84 A C 2.384 179.915 177.584 -0.087 0.000 1.181 84 A CA 1.848 53.813 52.037 -0.119 0.000 0.623 84 A CB -0.519 18.413 19.000 -0.114 0.000 0.818 84 A HN 0.352 nan 8.150 nan 0.000 0.443 85 K N -0.884 119.465 120.400 -0.086 0.000 2.147 85 K HA -0.102 4.270 4.320 0.086 0.000 0.205 85 K C 1.095 177.670 176.600 -0.042 0.000 1.049 85 K CA 1.132 57.386 56.287 -0.056 0.000 0.936 85 K CB -0.163 32.305 32.500 -0.053 0.000 0.722 85 K HN 0.313 nan 8.250 nan 0.000 0.446 86 L N -0.058 121.128 121.223 -0.062 0.000 2.599 86 L HA 0.142 4.534 4.340 0.086 0.000 0.230 86 L C 1.308 178.193 176.870 0.024 0.000 1.141 86 L CA 1.495 56.328 54.840 -0.011 0.000 0.877 86 L CB 0.029 42.078 42.059 -0.017 0.000 1.009 86 L HN 0.556 nan 8.230 nan 0.000 0.447 87 G N -1.842 106.956 108.800 -0.004 0.000 2.184 87 G HA2 0.102 4.114 3.960 0.086 0.000 0.206 87 G HA3 0.102 4.114 3.960 0.086 0.000 0.206 87 G C 0.658 175.578 174.900 0.032 0.000 0.995 87 G CA -0.186 44.925 45.100 0.020 0.000 0.651 87 G HN 0.901 nan 8.290 nan 0.000 0.511 88 G N -1.702 107.101 108.800 0.005 0.000 2.629 88 G HA2 0.222 4.234 3.960 0.086 0.000 0.686 88 G HA3 0.222 4.234 3.960 0.086 0.000 0.686 88 G C 0.403 175.356 174.900 0.088 0.000 1.232 88 G CA -0.020 45.099 45.100 0.030 0.000 0.803 88 G HN 1.505 nan 8.290 nan 0.000 0.638 89 L N 0.480 121.743 121.223 0.066 0.000 2.083 89 L HA 0.067 4.459 4.340 0.086 0.000 0.209 89 L C 2.496 179.441 176.870 0.125 0.000 1.083 89 L CA 3.078 57.967 54.840 0.082 0.000 0.752 89 L CB -0.860 41.177 42.059 -0.037 0.000 0.899 89 L HN 0.759 nan 8.230 nan 0.000 0.433 90 H N -1.778 117.383 119.070 0.151 0.000 2.293 90 H HA -0.137 4.470 4.556 0.085 0.000 0.300 90 H C 2.544 177.963 175.328 0.152 0.000 1.082 90 H CA 1.964 58.113 56.048 0.169 0.000 1.308 90 H CB -0.425 29.410 29.762 0.120 0.000 1.375 90 H HN 0.398 nan 8.280 nan 0.000 0.495 91 S N -0.475 115.381 115.700 0.259 0.000 2.368 91 S HA -0.171 4.351 4.470 0.086 0.000 0.224 91 S C 2.017 176.739 174.600 0.203 0.000 1.029 91 S CA 0.904 59.214 58.200 0.184 0.000 0.988 91 S CB -0.484 62.802 63.200 0.143 0.000 0.838 91 S HN 0.342 nan 8.310 nan 0.000 0.462 92 F N 3.250 123.233 119.950 0.055 0.000 2.043 92 F HA -0.129 4.454 4.527 0.094 0.000 0.297 92 F C 2.182 178.004 175.800 0.037 0.000 1.121 92 F CA 2.341 60.360 58.000 0.032 0.000 1.199 92 F CB -0.552 38.457 39.000 0.014 0.000 0.968 92 F HN 0.391 nan 8.300 nan 0.000 0.478 93 M N -1.454 118.180 119.600 0.057 0.000 2.502 93 M HA 0.395 4.926 4.480 0.086 0.000 0.243 93 M C 1.305 177.626 176.300 0.036 0.000 1.130 93 M CA 0.995 56.261 55.300 -0.057 0.000 1.055 93 M CB -0.020 32.585 32.600 0.009 0.000 1.457 93 M HN 0.241 nan 8.290 nan 0.000 0.488 94 G N 1.468 110.329 108.800 0.100 0.000 2.171 94 G HA2 -0.239 3.772 3.960 0.086 0.000 0.238 94 G HA3 -0.239 3.772 3.960 0.086 0.000 0.238 94 G C -0.772 174.247 174.900 0.198 0.000 1.039 94 G CA 0.167 45.336 45.100 0.114 0.000 0.759 94 G HN 0.762 nan 8.290 nan 0.000 0.501 95 W N 1.823 123.152 121.300 0.047 0.000 2.424 95 W HA 0.508 5.209 4.660 0.069 0.000 0.318 95 W C 0.083 176.702 176.519 0.166 0.000 1.016 95 W CA -0.177 57.206 57.345 0.064 0.000 1.268 95 W CB 1.237 30.708 29.460 0.017 0.000 1.297 95 W HN 0.276 nan 8.180 nan 0.000 0.428 96 D N 3.486 123.742 120.400 -0.239 0.000 2.340 96 D HA 0.086 4.778 4.640 0.086 0.000 0.217 96 D C 0.382 176.542 176.300 -0.234 0.000 1.081 96 D CA 0.128 54.049 54.000 -0.131 0.000 0.842 96 D CB 0.358 41.075 40.800 -0.138 0.000 0.934 96 D HN 0.198 nan 8.370 nan 0.000 0.511 97 R N 0.073 120.237 120.500 -0.561 0.000 2.602 97 R HA 0.503 4.895 4.340 0.086 0.000 0.237 97 R C -2.432 174.045 176.300 0.295 0.000 1.219 97 R CA -2.065 53.877 56.100 -0.262 0.000 1.121 97 R CB 0.122 30.125 30.300 -0.495 0.000 1.408 97 R HN -0.046 nan 8.270 nan 0.000 0.559 98 P HA 0.005 nan 4.420 nan 0.000 0.267 98 P C -0.829 176.738 177.300 0.444 0.000 1.200 98 P CA 0.789 64.101 63.100 0.353 0.000 0.772 98 P CB 0.429 32.247 31.700 0.196 0.000 0.855 99 I N 2.572 123.319 120.570 0.295 0.000 2.533 99 I HA 0.358 4.580 4.170 0.086 0.000 0.290 99 I C -0.414 175.696 176.117 -0.012 0.000 1.056 99 I CA -0.891 60.450 61.300 0.068 0.000 1.057 99 I CB 1.926 39.881 38.000 -0.076 0.000 1.240 99 I HN 0.177 nan 8.210 nan 0.000 0.423 100 L N 6.490 127.648 121.223 -0.109 0.000 2.307 100 L HA 0.647 5.039 4.340 0.086 0.000 0.284 100 L C -0.226 176.578 176.870 -0.111 0.000 1.023 100 L CA -0.052 54.691 54.840 -0.161 0.000 0.810 100 L CB 1.638 43.520 42.059 -0.295 0.000 1.231 100 L HN 0.710 nan 8.230 nan 0.000 0.423 101 T N -0.160 114.356 114.554 -0.063 0.000 2.807 101 T HA 0.351 4.753 4.350 0.086 0.000 0.279 101 T C -0.388 174.331 174.700 0.031 0.000 0.993 101 T CA -0.866 61.228 62.100 -0.010 0.000 0.970 101 T CB 1.551 70.429 68.868 0.018 0.000 0.950 101 T HN 0.525 nan 8.240 nan 0.000 0.441 102 D N 1.302 121.740 120.400 0.064 0.000 2.357 102 D HA 0.178 4.869 4.640 0.086 0.000 0.242 102 D C 1.436 177.818 176.300 0.137 0.000 1.153 102 D CA -0.308 53.754 54.000 0.102 0.000 0.918 102 D CB 1.413 42.281 40.800 0.114 0.000 1.181 102 D HN 0.616 nan 8.370 nan 0.000 0.435 103 S N 0.952 116.753 115.700 0.168 0.000 2.496 103 S HA 0.193 4.715 4.470 0.086 0.000 0.224 103 S C 1.571 176.388 174.600 0.362 0.000 0.996 103 S CA 0.562 58.921 58.200 0.265 0.000 0.927 103 S CB 0.214 63.614 63.200 0.334 0.000 0.774 103 S HN 0.879 nan 8.310 nan 0.000 0.524 104 G N 0.450 109.418 108.800 0.280 0.000 2.179 104 G HA2 -0.171 3.840 3.960 0.086 0.000 0.220 104 G HA3 -0.171 3.840 3.960 0.086 0.000 0.220 104 G C 0.888 175.907 174.900 0.197 0.000 0.990 104 G CA 0.014 45.282 45.100 0.279 0.000 0.646 104 G HN 0.964 nan 8.290 nan 0.000 0.517 105 G N -0.797 108.067 108.800 0.107 0.000 2.625 105 G HA2 0.157 4.169 3.960 0.086 0.000 0.214 105 G HA3 0.157 4.169 3.960 0.086 0.000 0.214 105 G C 1.067 175.955 174.900 -0.020 0.000 1.132 105 G CA 1.840 46.843 45.100 -0.162 0.000 0.782 105 G HN 0.767 nan 8.290 nan 0.000 0.538 106 Y N -0.775 119.445 120.300 -0.132 0.000 2.585 106 Y HA 0.261 4.862 4.550 0.085 0.000 0.272 106 Y C 2.289 178.058 175.900 -0.219 0.000 1.119 106 Y CA 0.090 58.103 58.100 -0.146 0.000 1.255 106 Y CB 0.540 38.940 38.460 -0.100 0.000 1.284 106 Y HN 0.133 nan 8.280 nan 0.000 0.499 107 Q N -0.079 119.550 119.800 -0.286 0.000 2.482 107 Q HA 0.045 4.436 4.340 0.086 0.000 0.209 107 Q C 1.668 176.920 176.000 -1.247 0.000 0.961 107 Q CA 0.910 56.362 55.803 -0.585 0.000 0.945 107 Q CB 0.127 28.715 28.738 -0.249 0.000 1.012 107 Q HN 0.402 nan 8.270 nan 0.000 0.515 108 V N -1.029 118.298 119.914 -0.977 0.000 2.581 108 V HA -0.005 4.167 4.120 0.086 0.000 0.240 108 V C 1.605 177.350 176.094 -0.583 0.000 1.054 108 V CA 0.969 62.660 62.300 -1.015 0.000 1.076 108 V CB -0.168 31.189 31.823 -0.777 0.000 0.748 108 V HN 0.339 nan 8.190 nan 0.000 0.474 109 M N -0.286 119.057 119.600 -0.427 0.000 2.562 109 M HA -0.008 4.524 4.480 0.086 0.000 0.257 109 M C 1.924 178.007 176.300 -0.362 0.000 1.099 109 M CA 0.844 55.968 55.300 -0.292 0.000 1.099 109 M CB -0.006 32.485 32.600 -0.182 0.000 1.427 109 M HN 0.292 nan 8.290 nan 0.000 0.489 110 S N -0.006 115.367 115.700 -0.545 0.000 2.433 110 S HA 0.213 4.734 4.470 0.086 0.000 0.216 110 S C 0.656 175.030 174.600 -0.376 0.000 1.031 110 S CA 0.182 58.060 58.200 -0.536 0.000 0.931 110 S CB 0.209 62.894 63.200 -0.858 0.000 0.875 110 S HN 0.094 nan 8.310 nan 0.000 0.553 116 K N 3.071 123.563 120.400 0.152 0.000 2.240 116 K HA 0.469 4.841 4.320 0.086 0.000 0.271 116 K C -0.316 176.376 176.600 0.155 0.000 1.018 116 K CA -0.530 55.831 56.287 0.123 0.000 0.874 116 K CB 1.068 33.624 32.500 0.094 0.000 1.098 116 K HN 0.713 nan 8.250 nan 0.000 0.458 117 Q N 1.583 121.470 119.800 0.144 0.000 2.226 117 Q HA 0.392 4.784 4.340 0.086 0.000 0.256 117 Q C -0.776 175.330 176.000 0.175 0.000 0.962 117 Q CA -0.766 55.149 55.803 0.186 0.000 0.887 117 Q CB 2.024 30.860 28.738 0.163 0.000 1.282 117 Q HN 0.825 nan 8.270 nan 0.000 0.449 118 S N -0.752 115.093 115.700 0.242 0.000 2.636 118 S HA 0.162 4.684 4.470 0.086 0.000 0.268 118 S C 0.174 174.982 174.600 0.346 0.000 1.159 118 S CA -0.790 57.541 58.200 0.219 0.000 0.815 118 S CB 1.191 64.493 63.200 0.169 0.000 1.130 118 S HN 0.662 nan 8.310 nan 0.000 0.471 119 E N 0.366 120.737 120.200 0.285 0.000 2.338 119 E HA -0.026 4.376 4.350 0.086 0.000 0.197 119 E C 1.270 178.187 176.600 0.528 0.000 1.007 119 E CA 1.407 58.040 56.400 0.388 0.000 0.849 119 E CB -0.056 29.780 29.700 0.227 0.000 0.774 119 E HN 0.539 nan 8.360 nan 0.000 0.506 120 E N -0.551 119.839 120.200 0.316 0.000 2.250 120 E HA 0.201 4.603 4.350 0.086 0.000 0.192 120 E C 0.921 177.534 176.600 0.022 0.000 0.986 120 E CA 0.904 57.398 56.400 0.157 0.000 0.849 120 E CB 0.683 30.436 29.700 0.088 0.000 0.797 120 E HN 0.270 nan 8.360 nan 0.000 0.482 121 G N -0.384 108.506 108.800 0.151 0.000 2.398 121 G HA2 0.140 4.152 3.960 0.086 0.000 0.251 121 G HA3 0.140 4.152 3.960 0.086 0.000 0.251 121 G C -1.707 173.353 174.900 0.268 0.000 1.277 121 G CA -0.160 44.964 45.100 0.041 0.000 0.927 121 G HN 0.077 nan 8.290 nan 0.000 0.477 122 V N 0.181 120.260 119.914 0.275 0.000 2.709 122 V HA 0.821 4.993 4.120 0.086 0.000 0.308 122 V C -0.492 175.817 176.094 0.358 0.000 1.062 122 V CA 0.051 62.558 62.300 0.344 0.000 0.901 122 V CB 1.933 34.004 31.823 0.413 0.000 1.003 122 V HN 1.131 nan 8.190 nan 0.000 0.425 123 T N 7.584 122.311 114.554 0.288 0.000 2.855 123 T HA 0.825 5.227 4.350 0.086 0.000 0.281 123 T C -0.911 173.960 174.700 0.285 0.000 1.007 123 T CA -0.102 62.090 62.100 0.152 0.000 1.009 123 T CB 1.101 69.995 68.868 0.044 0.000 0.983 123 T HN 0.721 nan 8.240 nan 0.000 0.455 124 F N -0.820 119.198 119.950 0.114 0.000 2.685 124 F HA 0.705 5.283 4.527 0.086 0.000 0.315 124 F C -0.876 174.993 175.800 0.115 0.000 1.126 124 F CA -1.644 56.428 58.000 0.119 0.000 0.950 124 F CB 1.129 40.225 39.000 0.159 0.000 1.360 124 F HN 0.177 nan 8.300 nan 0.000 0.469 125 K N 0.753 121.331 120.400 0.296 0.000 2.201 125 K HA 0.395 4.767 4.320 0.086 0.000 0.278 125 K C -0.198 176.590 176.600 0.313 0.000 1.027 125 K CA -0.759 55.638 56.287 0.184 0.000 0.909 125 K CB 1.628 34.210 32.500 0.136 0.000 1.062 125 K HN 0.699 nan 8.250 nan 0.000 0.465 126 S N 2.268 118.101 115.700 0.222 0.000 2.507 126 S HA -0.042 4.480 4.470 0.086 0.000 0.299 126 S C 1.179 175.894 174.600 0.193 0.000 1.214 126 S CA -0.375 57.980 58.200 0.258 0.000 1.137 126 S CB -0.245 63.038 63.200 0.139 0.000 1.009 126 S HN 0.704 nan 8.310 nan 0.000 0.512 127 H N 3.923 123.098 119.070 0.175 0.000 2.560 127 H HA 0.196 4.804 4.556 0.085 0.000 0.283 127 H C 0.435 175.811 175.328 0.081 0.000 1.028 127 H CA 0.368 56.489 56.048 0.122 0.000 1.221 127 H CB -0.113 29.730 29.762 0.135 0.000 1.363 127 H HN 0.450 nan 8.280 nan 0.000 0.594 132 R N 1.070 121.325 120.500 -0.409 0.000 2.428 132 R HA 0.625 5.017 4.340 0.086 0.000 0.294 132 R C -1.228 174.608 176.300 -0.773 0.000 1.000 132 R CA -0.389 55.454 56.100 -0.427 0.000 0.960 132 R CB 0.574 30.718 30.300 -0.260 0.000 1.076 132 R HN 0.839 nan 8.270 nan 0.000 0.475 133 H N 3.264 122.025 119.070 -0.514 0.000 2.974 133 H HA 0.225 4.834 4.556 0.087 0.000 0.366 133 H C -1.109 173.836 175.328 -0.638 0.000 1.155 133 H CA -0.763 54.922 56.048 -0.605 0.000 1.186 133 H CB 1.966 31.276 29.762 -0.753 0.000 1.799 133 H HN 0.470 nan 8.280 nan 0.000 0.541 134 M N 2.973 122.469 119.600 -0.174 0.000 2.363 134 M HA 0.442 4.973 4.480 0.086 0.000 0.343 134 M C -1.807 174.489 176.300 -0.007 0.000 1.165 134 M CA -0.811 54.443 55.300 -0.077 0.000 1.046 134 M CB 0.878 33.442 32.600 -0.060 0.000 1.648 134 M HN 0.391 nan 8.290 nan 0.000 0.452 135 L N 4.777 126.032 121.223 0.054 0.000 2.446 135 L HA 0.721 5.113 4.340 0.086 0.000 0.268 135 L C -1.132 175.495 176.870 -0.405 0.000 0.975 135 L CA 0.264 55.049 54.840 -0.091 0.000 0.848 135 L CB 1.517 43.684 42.059 0.179 0.000 1.225 135 L HN 0.936 nan 8.230 nan 0.000 0.410 136 S N 3.576 118.929 115.700 -0.578 0.000 2.726 136 S HA 0.746 5.268 4.470 0.086 0.000 0.308 136 S C -2.355 171.693 174.600 -0.920 0.000 1.115 136 S CA -1.422 56.373 58.200 -0.676 0.000 0.965 136 S CB 1.671 64.662 63.200 -0.348 0.000 1.145 136 S HN 0.385 nan 8.310 nan 0.000 0.532 137 P HA -0.060 nan 4.420 nan 0.000 0.215 137 P C 0.904 178.070 177.300 -0.223 0.000 1.153 137 P CA 1.332 64.227 63.100 -0.342 0.000 0.853 137 P CB 0.004 31.599 31.700 -0.175 0.000 0.788 138 E N -1.009 119.073 120.200 -0.198 0.000 2.072 138 E HA -0.181 4.220 4.350 0.086 0.000 0.191 138 E C 2.127 178.651 176.600 -0.126 0.000 0.985 138 E CA 0.995 57.328 56.400 -0.113 0.000 0.801 138 E CB -0.555 29.092 29.700 -0.088 0.000 0.750 138 E HN -0.001 nan 8.360 nan 0.000 0.452 139 R N 0.370 120.753 120.500 -0.194 0.000 2.115 139 R HA 0.027 4.418 4.340 0.086 0.000 0.226 139 R C 2.208 178.413 176.300 -0.159 0.000 1.100 139 R CA 1.529 57.533 56.100 -0.160 0.000 0.980 139 R CB -0.779 29.418 30.300 -0.173 0.000 0.875 139 R HN 0.143 nan 8.270 nan 0.000 0.445 140 S N -0.236 115.302 115.700 -0.270 0.000 2.355 140 S HA -0.032 4.490 4.470 0.086 0.000 0.222 140 S C 1.810 176.400 174.600 -0.015 0.000 1.031 140 S CA 1.185 59.280 58.200 -0.175 0.000 0.993 140 S CB -0.194 62.836 63.200 -0.283 0.000 0.859 140 S HN 0.312 nan 8.310 nan 0.000 0.453 141 I N 1.992 122.566 120.570 0.008 0.000 2.286 141 I HA -0.099 4.123 4.170 0.086 0.000 0.248 141 I C 2.570 178.741 176.117 0.090 0.000 1.115 141 I CA 1.468 62.826 61.300 0.097 0.000 1.392 141 I CB -1.553 36.523 38.000 0.126 0.000 1.065 141 I HN 0.564 nan 8.210 nan 0.000 0.418 142 E N 1.352 121.575 120.200 0.039 0.000 2.077 142 E HA -0.200 4.202 4.350 0.086 0.000 0.193 142 E C 2.411 179.063 176.600 0.087 0.000 0.989 142 E CA 1.115 57.553 56.400 0.064 0.000 0.800 142 E CB -0.001 29.708 29.700 0.015 0.000 0.746 142 E HN 0.432 nan 8.360 nan 0.000 0.452 143 I N 0.960 121.550 120.570 0.033 0.000 2.226 143 I HA -0.307 3.915 4.170 0.086 0.000 0.245 143 I C 2.592 178.729 176.117 0.033 0.000 1.100 143 I CA 1.329 62.638 61.300 0.015 0.000 1.374 143 I CB -0.290 37.708 38.000 -0.003 0.000 1.057 143 I HN 0.218 nan 8.210 nan 0.000 0.413 144 Q N -0.498 119.344 119.800 0.070 0.000 2.170 144 Q HA -0.278 4.113 4.340 0.086 0.000 0.203 144 Q C 2.094 178.152 176.000 0.098 0.000 0.976 144 Q CA 1.731 57.585 55.803 0.085 0.000 0.858 144 Q CB -0.333 28.477 28.738 0.119 0.000 0.907 144 Q HN 0.588 nan 8.270 nan 0.000 0.433 145 H N 0.870 119.955 119.070 0.026 0.000 2.326 145 H HA -0.054 4.554 4.556 0.087 0.000 0.301 145 H C 1.775 177.103 175.328 0.000 0.000 1.081 145 H CA 1.434 57.485 56.048 0.004 0.000 1.334 145 H CB -0.213 29.533 29.762 -0.027 0.000 1.385 145 H HN 0.112 nan 8.280 nan 0.000 0.504 146 L N -0.080 121.025 121.223 -0.197 0.000 2.131 146 L HA -0.150 4.242 4.340 0.086 0.000 0.210 146 L C 2.371 179.135 176.870 -0.176 0.000 1.092 146 L CA 0.951 55.645 54.840 -0.243 0.000 0.759 146 L CB -0.335 41.662 42.059 -0.103 0.000 0.903 146 L HN 0.330 nan 8.230 nan 0.000 0.435 147 L N -0.499 120.665 121.223 -0.098 0.000 2.313 147 L HA 0.042 4.433 4.340 0.086 0.000 0.214 147 L C 1.429 178.290 176.870 -0.015 0.000 1.119 147 L CA 0.692 55.496 54.840 -0.061 0.000 0.809 147 L CB -0.588 41.452 42.059 -0.032 0.000 0.933 147 L HN 0.497 nan 8.230 nan 0.000 0.449 148 G N 0.507 109.294 108.800 -0.022 0.000 2.171 148 G HA2 -0.274 3.738 3.960 0.086 0.000 0.238 148 G HA3 -0.274 3.738 3.960 0.086 0.000 0.238 148 G C 0.300 175.311 174.900 0.186 0.000 1.039 148 G CA 0.367 45.505 45.100 0.064 0.000 0.759 148 G HN 0.313 nan 8.290 nan 0.000 0.501 149 S N -0.660 115.116 115.700 0.126 0.000 2.560 149 S HA 0.312 4.834 4.470 0.086 0.000 0.284 149 S C 1.387 176.092 174.600 0.175 0.000 1.327 149 S CA 0.649 58.931 58.200 0.138 0.000 1.055 149 S CB 0.511 63.762 63.200 0.085 0.000 0.868 149 S HN 0.300 nan 8.310 nan 0.000 0.506 150 D N 2.759 123.265 120.400 0.176 0.000 2.201 150 D HA 0.142 4.834 4.640 0.086 0.000 0.209 150 D C 0.206 176.561 176.300 0.091 0.000 0.961 150 D CA 0.935 55.028 54.000 0.154 0.000 0.861 150 D CB 0.213 41.116 40.800 0.171 0.000 0.997 150 D HN 0.497 nan 8.370 nan 0.000 0.486 151 I N 2.297 122.857 120.570 -0.017 0.000 2.382 151 I HA 0.156 4.377 4.170 0.086 0.000 0.285 151 I C -0.486 175.540 176.117 -0.151 0.000 1.007 151 I CA -0.569 60.613 61.300 -0.196 0.000 1.142 151 I CB 2.323 40.025 38.000 -0.497 0.000 1.289 151 I HN -0.342 nan 8.210 nan 0.000 0.453 152 V N 6.871 126.749 119.914 -0.060 0.000 2.465 152 V HA 0.369 4.541 4.120 0.086 0.000 0.279 152 V C 0.408 176.483 176.094 -0.031 0.000 1.045 152 V CA -0.492 61.826 62.300 0.030 0.000 0.938 152 V CB 1.497 33.449 31.823 0.215 0.000 0.986 152 V HN 0.572 nan 8.190 nan 0.000 0.467 153 M N 3.577 123.190 119.600 0.021 0.000 2.264 153 M HA 0.532 5.063 4.480 0.086 0.000 0.352 153 M C 0.307 176.652 176.300 0.075 0.000 1.173 153 M CA -0.576 54.746 55.300 0.036 0.000 1.075 153 M CB 1.288 33.926 32.600 0.064 0.000 1.621 153 M HN 0.738 nan 8.290 nan 0.000 0.457 154 A N 2.987 125.822 122.820 0.025 0.000 2.483 154 A HA 0.254 4.626 4.320 0.086 0.000 0.238 154 A C -0.518 177.169 177.584 0.171 0.000 1.070 154 A CA -0.205 51.883 52.037 0.085 0.000 0.770 154 A CB -0.052 18.923 19.000 -0.041 0.000 1.008 154 A HN 0.752 nan 8.150 nan 0.000 0.497 155 F N 2.827 122.830 119.950 0.088 0.000 2.445 155 F HA 0.383 4.961 4.527 0.086 0.000 0.359 155 F C 0.239 176.202 175.800 0.271 0.000 1.101 155 F CA -0.224 57.842 58.000 0.111 0.000 1.177 155 F CB 0.495 39.495 39.000 -0.000 0.000 1.110 155 F HN 0.758 nan 8.300 nan 0.000 0.522 156 D N 3.853 124.107 120.400 -0.244 0.000 2.585 156 D HA 0.229 4.921 4.640 0.086 0.000 0.254 156 D C -1.514 174.683 176.300 -0.172 0.000 1.067 156 D CA -0.798 53.162 54.000 -0.066 0.000 1.090 156 D CB 1.434 42.193 40.800 -0.068 0.000 1.408 156 D HN 0.605 nan 8.370 nan 0.000 0.554 157 E N 0.010 120.132 120.200 -0.130 0.000 2.186 157 E HA 0.368 4.770 4.350 0.086 0.000 0.255 157 E C -0.949 175.594 176.600 -0.094 0.000 0.881 157 E CA -0.788 55.531 56.400 -0.135 0.000 0.752 157 E CB 1.035 30.554 29.700 -0.302 0.000 1.176 157 E HN 0.513 nan 8.360 nan 0.000 0.421 158 C N 3.312 122.597 119.300 -0.026 0.000 2.705 158 C HA 0.315 4.827 4.460 0.086 0.000 0.382 158 C C 0.284 175.289 174.990 0.026 0.000 1.322 158 C CA 0.164 59.195 59.018 0.021 0.000 2.290 158 C CB 0.069 27.914 27.740 0.175 0.000 2.650 158 C HN 0.758 nan 8.230 nan 0.000 0.695 159 T N 5.362 119.939 114.554 0.038 0.000 2.770 159 T HA 0.381 4.783 4.350 0.086 0.000 0.283 159 T C -2.478 172.280 174.700 0.098 0.000 0.988 159 T CA -0.399 61.733 62.100 0.053 0.000 0.957 159 T CB 1.161 70.063 68.868 0.057 0.000 0.930 159 T HN 0.583 nan 8.240 nan 0.000 0.443 160 P HA 0.077 nan 4.420 nan 0.000 0.263 160 P C -1.169 176.209 177.300 0.130 0.000 1.195 160 P CA -0.216 62.943 63.100 0.098 0.000 0.762 160 P CB 0.143 31.871 31.700 0.046 0.000 0.799 161 Y N 6.068 126.384 120.300 0.028 0.000 2.320 161 Y HA 0.433 5.035 4.550 0.087 0.000 0.334 161 Y C -1.761 174.148 175.900 0.014 0.000 1.055 161 Y CA -2.393 55.715 58.100 0.014 0.000 1.143 161 Y CB 0.500 38.961 38.460 0.002 0.000 1.193 161 Y HN 0.382 nan 8.280 nan 0.000 0.477 162 P HA 0.541 nan 4.420 nan 0.000 0.276 162 P C -1.748 175.446 177.300 -0.177 0.000 1.244 162 P CA -0.529 62.107 63.100 -0.773 0.000 0.801 162 P CB 1.533 32.799 31.700 -0.724 0.000 1.006 163 A N 0.865 123.683 122.820 -0.002 0.000 2.386 163 A HA 0.616 4.988 4.320 0.086 0.000 0.311 163 A C 0.303 178.009 177.584 0.204 0.000 1.068 163 A CA -0.526 51.575 52.037 0.106 0.000 0.743 163 A CB 1.001 20.099 19.000 0.165 0.000 1.258 163 A HN 0.681 nan 8.150 nan 0.000 0.429 164 T N 0.280 114.906 114.554 0.121 0.000 2.868 164 T HA 0.404 4.806 4.350 0.086 0.000 0.292 164 T C -1.858 172.854 174.700 0.020 0.000 1.028 164 T CA -1.114 61.039 62.100 0.087 0.000 1.059 164 T CB 0.696 69.569 68.868 0.009 0.000 0.991 164 T HN 0.261 nan 8.240 nan 0.000 0.531 165 P HA -0.136 nan 4.420 nan 0.000 0.216 165 P C 1.958 179.094 177.300 -0.274 0.000 1.153 165 P CA 1.236 63.974 63.100 -0.603 0.000 0.858 165 P CB -0.091 31.215 31.700 -0.656 0.000 0.789 166 S N -0.969 114.634 115.700 -0.161 0.000 2.356 166 S HA -0.175 4.346 4.470 0.086 0.000 0.223 166 S C 2.008 176.570 174.600 -0.063 0.000 1.032 166 S CA 1.226 59.366 58.200 -0.101 0.000 1.005 166 S CB -0.497 62.659 63.200 -0.073 0.000 0.867 166 S HN -0.014 nan 8.310 nan 0.000 0.449 167 R N 0.469 120.948 120.500 -0.035 0.000 2.075 167 R HA 0.078 4.470 4.340 0.086 0.000 0.232 167 R C 2.676 178.981 176.300 0.007 0.000 1.126 167 R CA 1.182 57.276 56.100 -0.011 0.000 0.963 167 R CB -0.563 29.742 30.300 0.008 0.000 0.858 167 R HN 0.503 nan 8.270 nan 0.000 0.435 168 A N 1.186 124.037 122.820 0.052 0.000 1.933 168 A HA -0.120 4.251 4.320 0.086 0.000 0.218 168 A C 2.333 179.941 177.584 0.041 0.000 1.175 168 A CA 1.708 53.811 52.037 0.110 0.000 0.628 168 A CB -0.583 18.609 19.000 0.319 0.000 0.814 168 A HN 0.400 nan 8.150 nan 0.000 0.444 169 A N -0.594 122.216 122.820 -0.017 0.000 1.873 169 A HA -0.050 4.321 4.320 0.086 0.000 0.215 169 A C 2.455 180.010 177.584 -0.049 0.000 1.186 169 A CA 2.017 54.030 52.037 -0.039 0.000 0.616 169 A CB -0.923 18.033 19.000 -0.075 0.000 0.823 169 A HN 0.446 nan 8.150 nan 0.000 0.442 170 S N -0.398 115.268 115.700 -0.056 0.000 2.359 170 S HA -0.160 4.361 4.470 0.086 0.000 0.224 170 S C 2.344 176.879 174.600 -0.108 0.000 1.035 170 S CA 1.574 59.730 58.200 -0.074 0.000 1.018 170 S CB -0.401 62.760 63.200 -0.065 0.000 0.876 170 S HN 0.672 nan 8.310 nan 0.000 0.448 171 S N 0.924 116.568 115.700 -0.093 0.000 2.368 171 S HA -0.042 4.480 4.470 0.086 0.000 0.224 171 S C 1.951 176.466 174.600 -0.143 0.000 1.029 171 S CA 1.074 59.195 58.200 -0.131 0.000 0.988 171 S CB -0.345 62.809 63.200 -0.076 0.000 0.838 171 S HN 0.419 nan 8.310 nan 0.000 0.462 172 M N 1.259 120.811 119.600 -0.080 0.000 2.132 172 M HA -0.059 4.473 4.480 0.086 0.000 0.263 172 M C 1.764 178.013 176.300 -0.084 0.000 1.065 172 M CA 1.810 57.072 55.300 -0.063 0.000 1.122 172 M CB -1.039 31.553 32.600 -0.013 0.000 1.365 172 M HN 0.356 nan 8.290 nan 0.000 0.411 173 E N -0.176 119.972 120.200 -0.086 0.000 2.077 173 E HA -0.244 4.158 4.350 0.086 0.000 0.193 173 E C 2.150 178.665 176.600 -0.141 0.000 0.989 173 E CA 1.626 57.975 56.400 -0.084 0.000 0.800 173 E CB -0.269 29.389 29.700 -0.070 0.000 0.746 173 E HN 0.508 nan 8.360 nan 0.000 0.452 174 R N 0.528 120.881 120.500 -0.245 0.000 2.081 174 R HA -0.109 4.282 4.340 0.086 0.000 0.235 174 R C 2.254 178.229 176.300 -0.541 0.000 1.131 174 R CA 1.672 57.492 56.100 -0.466 0.000 0.960 174 R CB -0.105 29.805 30.300 -0.649 0.000 0.856 174 R HN -0.011 nan 8.270 nan 0.000 0.436 175 S N 0.356 115.839 115.700 -0.363 0.000 2.382 175 S HA -0.111 4.410 4.470 0.086 0.000 0.228 175 S C 1.810 176.408 174.600 -0.004 0.000 1.027 175 S CA 1.329 59.426 58.200 -0.172 0.000 0.991 175 S CB -0.058 63.070 63.200 -0.120 0.000 0.823 175 S HN 0.305 nan 8.310 nan 0.000 0.469 176 M N 1.022 120.613 119.600 -0.016 0.000 2.254 176 M HA 0.061 4.592 4.480 0.086 0.000 0.265 176 M C 1.985 178.354 176.300 0.115 0.000 1.066 176 M CA 1.197 56.535 55.300 0.063 0.000 1.123 176 M CB -1.142 31.485 32.600 0.044 0.000 1.388 176 M HN 0.252 nan 8.290 nan 0.000 0.425 177 R N -1.165 119.379 120.500 0.074 0.000 2.092 177 R HA -0.164 4.227 4.340 0.086 0.000 0.231 177 R C 2.034 178.535 176.300 0.335 0.000 1.119 177 R CA 1.194 57.385 56.100 0.152 0.000 0.970 177 R CB -0.233 30.125 30.300 0.097 0.000 0.864 177 R HN 0.373 nan 8.270 nan 0.000 0.440 178 W N 0.527 121.888 121.300 0.100 0.000 2.467 178 W HA 0.112 4.824 4.660 0.086 0.000 0.275 178 W C 2.260 178.872 176.519 0.155 0.000 1.239 178 W CA 0.300 57.729 57.345 0.140 0.000 1.266 178 W CB -0.687 28.862 29.460 0.148 0.000 1.112 178 W HN 0.155 nan 8.180 nan 0.000 0.576 179 A N 0.310 123.344 122.820 0.357 0.000 1.930 179 A HA -0.195 4.176 4.320 0.086 0.000 0.217 179 A C 2.038 179.846 177.584 0.373 0.000 1.175 179 A CA 2.115 54.349 52.037 0.327 0.000 0.627 179 A CB -0.548 18.609 19.000 0.262 0.000 0.815 179 A HN 0.092 nan 8.150 nan 0.000 0.443 180 K N 0.277 120.846 120.400 0.281 0.000 2.057 180 K HA -0.053 4.318 4.320 0.086 0.000 0.206 180 K C 2.026 178.731 176.600 0.174 0.000 1.050 180 K CA 1.619 58.023 56.287 0.194 0.000 0.935 180 K CB -0.366 32.224 32.500 0.149 0.000 0.715 180 K HN 0.433 nan 8.250 nan 0.000 0.439 181 R N -0.146 120.475 120.500 0.201 0.000 2.096 181 R HA -0.009 4.382 4.340 0.086 0.000 0.235 181 R C 2.356 178.744 176.300 0.147 0.000 1.127 181 R CA 1.530 57.722 56.100 0.153 0.000 0.968 181 R CB -0.229 30.159 30.300 0.147 0.000 0.861 181 R HN 0.150 nan 8.270 nan 0.000 0.440 182 S N 0.432 116.253 115.700 0.202 0.000 2.368 182 S HA -0.140 4.382 4.470 0.086 0.000 0.224 182 S C 1.788 176.519 174.600 0.217 0.000 1.029 182 S CA 1.256 59.582 58.200 0.210 0.000 0.988 182 S CB -0.160 63.192 63.200 0.254 0.000 0.838 182 S HN 0.215 nan 8.310 nan 0.000 0.462 183 R N 1.939 122.562 120.500 0.204 0.000 2.083 183 R HA -0.104 4.288 4.340 0.086 0.000 0.237 183 R C 1.429 177.798 176.300 0.114 0.000 1.137 183 R CA 1.976 58.129 56.100 0.089 0.000 0.951 183 R CB -0.726 29.528 30.300 -0.076 0.000 0.851 183 R HN 0.212 nan 8.270 nan 0.000 0.434 184 D N -0.040 120.417 120.400 0.096 0.000 2.144 184 D HA -0.067 4.625 4.640 0.086 0.000 0.200 184 D C 1.709 178.061 176.300 0.086 0.000 0.978 184 D CA 1.583 55.629 54.000 0.077 0.000 0.833 184 D CB -0.381 40.454 40.800 0.058 0.000 0.961 184 D HN 0.407 nan 8.370 nan 0.000 0.470 185 A N 0.341 123.222 122.820 0.102 0.000 1.902 185 A HA -0.153 4.219 4.320 0.086 0.000 0.217 185 A C 2.099 179.739 177.584 0.094 0.000 1.181 185 A CA 0.913 52.994 52.037 0.074 0.000 0.623 185 A CB -0.963 18.078 19.000 0.067 0.000 0.818 185 A HN 0.245 nan 8.150 nan 0.000 0.443 186 F N 1.209 121.162 119.950 0.005 0.000 2.102 186 F HA -0.175 4.403 4.527 0.085 0.000 0.298 186 F C 1.751 177.539 175.800 -0.020 0.000 1.105 186 F CA 2.142 60.142 58.000 0.001 0.000 1.239 186 F CB -0.109 38.913 39.000 0.037 0.000 0.991 186 F HN 0.228 nan 8.300 nan 0.000 0.474 187 D N -0.483 120.056 120.400 0.231 0.000 2.178 187 D HA -0.117 4.575 4.640 0.086 0.000 0.202 187 D C 2.288 178.579 176.300 -0.016 0.000 0.974 187 D CA 1.318 55.380 54.000 0.104 0.000 0.841 187 D CB -0.314 40.551 40.800 0.109 0.000 0.953 187 D HN 0.233 nan 8.370 nan 0.000 0.478 188 S N -0.232 115.455 115.700 -0.022 0.000 2.561 188 S HA -0.020 4.502 4.470 0.086 0.000 0.225 188 S C 1.092 175.631 174.600 -0.102 0.000 0.977 188 S CA -0.043 58.128 58.200 -0.048 0.000 0.926 188 S CB 0.319 63.501 63.200 -0.029 0.000 0.769 188 S HN 0.133 nan 8.310 nan 0.000 0.533 189 R N 1.742 122.140 120.500 -0.170 0.000 2.346 189 R HA 0.237 4.629 4.340 0.086 0.000 0.309 189 R C 0.718 176.861 176.300 -0.261 0.000 1.119 189 R CA -0.234 55.717 56.100 -0.249 0.000 1.112 189 R CB 0.143 30.224 30.300 -0.365 0.000 1.132 189 R HN 0.117 nan 8.270 nan 0.000 0.538 190 K N 1.530 121.827 120.400 -0.171 0.000 2.030 190 K HA -0.327 4.045 4.320 0.086 0.000 0.222 190 K C 1.448 177.965 176.600 -0.138 0.000 1.056 190 K CA 2.405 58.615 56.287 -0.129 0.000 0.957 190 K CB -0.034 32.417 32.500 -0.081 0.000 0.727 190 K HN 0.612 nan 8.250 nan 0.000 0.452 191 E N 0.901 121.026 120.200 -0.125 0.000 2.118 191 E HA -0.294 4.107 4.350 0.086 0.000 0.195 191 E C 2.265 178.807 176.600 -0.098 0.000 0.992 191 E CA 1.527 57.886 56.400 -0.069 0.000 0.804 191 E CB 0.058 29.764 29.700 0.010 0.000 0.741 191 E HN 0.349 nan 8.360 nan 0.000 0.458 192 Q N -0.276 119.387 119.800 -0.229 0.000 2.049 192 Q HA -0.098 4.294 4.340 0.086 0.000 0.198 192 Q C 2.075 177.738 176.000 -0.562 0.000 0.971 192 Q CA 1.249 56.851 55.803 -0.335 0.000 0.833 192 Q CB -0.171 28.273 28.738 -0.490 0.000 0.896 192 Q HN 0.319 nan 8.270 nan 0.000 0.434 193 A N 0.801 123.250 122.820 -0.618 0.000 1.972 193 A HA -0.205 4.167 4.320 0.086 0.000 0.219 193 A C 1.636 179.185 177.584 -0.059 0.000 1.169 193 A CA 1.683 53.471 52.037 -0.416 0.000 0.635 193 A CB -0.385 18.491 19.000 -0.206 0.000 0.810 193 A HN 0.548 nan 8.150 nan 0.000 0.446 194 E N -0.793 119.370 120.200 -0.061 0.000 2.385 194 E HA 0.002 4.404 4.350 0.086 0.000 0.194 194 E C 0.857 177.484 176.600 0.046 0.000 1.013 194 E CA 0.452 56.860 56.400 0.013 0.000 0.866 194 E CB 0.062 29.761 29.700 -0.003 0.000 0.832 194 E HN 0.570 nan 8.360 nan 0.000 0.500 195 N N -0.239 118.483 118.700 0.036 0.000 2.257 195 N HA 0.141 4.933 4.740 0.086 0.000 0.200 195 N C 0.037 175.618 175.510 0.120 0.000 1.163 195 N CA 0.188 53.279 53.050 0.067 0.000 0.891 195 N CB 1.244 39.755 38.487 0.039 0.000 1.067 195 N HN -0.028 nan 8.380 nan 0.000 0.497 196 A N 0.434 123.351 122.820 0.161 0.000 2.347 196 A HA 0.887 5.259 4.320 0.086 0.000 0.301 196 A C -0.838 176.987 177.584 0.401 0.000 1.163 196 A CA -0.461 51.733 52.037 0.262 0.000 0.860 196 A CB 1.309 20.477 19.000 0.280 0.000 1.367 196 A HN 0.093 nan 8.150 nan 0.000 0.461 197 A N -0.420 122.565 122.820 0.275 0.000 2.384 197 A HA 0.756 5.128 4.320 0.086 0.000 0.312 197 A C -1.131 176.354 177.584 -0.165 0.000 1.113 197 A CA -0.499 51.555 52.037 0.028 0.000 0.779 197 A CB 1.152 20.046 19.000 -0.176 0.000 1.307 197 A HN 0.917 nan 8.150 nan 0.000 0.436 198 L N 1.503 122.483 121.223 -0.406 0.000 2.356 198 L HA 0.602 4.993 4.340 0.086 0.000 0.277 198 L C -1.770 175.155 176.870 0.091 0.000 0.996 198 L CA -0.437 54.156 54.840 -0.411 0.000 0.822 198 L CB 1.343 42.828 42.059 -0.956 0.000 1.256 198 L HN 0.679 nan 8.230 nan 0.000 0.413 199 F N 1.728 121.514 119.950 -0.273 0.000 2.469 199 F HA 0.616 5.196 4.527 0.088 0.000 0.332 199 F C 0.892 176.315 175.800 -0.628 0.000 1.103 199 F CA -1.029 56.754 58.000 -0.361 0.000 0.979 199 F CB 2.024 40.898 39.000 -0.209 0.000 1.137 199 F HN 0.373 nan 8.300 nan 0.000 0.463 200 G N 2.756 110.942 108.800 -1.024 0.000 2.462 200 G HA2 0.656 4.668 3.960 0.086 0.000 0.319 200 G HA3 0.656 4.668 3.960 0.086 0.000 0.319 200 G C -1.032 173.553 174.900 -0.526 0.000 1.171 200 G CA -0.610 43.676 45.100 -1.356 0.000 0.920 200 G HN 0.524 nan 8.290 nan 0.000 0.499 201 I N 0.513 120.875 120.570 -0.346 0.000 2.410 201 I HA 0.230 4.452 4.170 0.086 0.000 0.286 201 I C 0.111 176.157 176.117 -0.119 0.000 1.009 201 I CA -0.524 60.667 61.300 -0.181 0.000 1.111 201 I CB 2.025 39.936 38.000 -0.149 0.000 1.262 201 I HN 0.420 nan 8.210 nan 0.000 0.443 202 Q N 5.841 125.593 119.800 -0.081 0.000 2.314 202 Q HA 0.247 4.639 4.340 0.086 0.000 0.258 202 Q C -0.872 175.093 176.000 -0.058 0.000 0.954 202 Q CA -0.180 55.596 55.803 -0.045 0.000 0.890 202 Q CB 1.154 29.874 28.738 -0.030 0.000 1.210 202 Q HN 0.524 nan 8.270 nan 0.000 0.410 203 Q N 1.058 120.838 119.800 -0.033 0.000 3.156 203 Q HA 0.568 4.959 4.340 0.086 0.000 0.301 203 Q C -0.003 176.007 176.000 0.017 0.000 1.026 203 Q CA 0.013 55.800 55.803 -0.028 0.000 0.827 203 Q CB 1.733 30.448 28.738 -0.039 0.000 1.490 203 Q HN 0.954 nan 8.270 nan 0.000 0.492 204 G N -0.380 108.447 108.800 0.045 0.000 2.198 204 G HA2 -0.164 3.847 3.960 0.086 0.000 0.156 204 G HA3 -0.164 3.847 3.960 0.086 0.000 0.156 204 G C 0.342 175.342 174.900 0.166 0.000 1.012 204 G CA 0.919 46.088 45.100 0.116 0.000 0.692 204 G HN 0.781 nan 8.290 nan 0.000 0.492 205 S N -2.183 113.566 115.700 0.082 0.000 3.949 205 S HA -0.357 4.165 4.470 0.086 0.000 0.626 205 S C 1.797 176.340 174.600 -0.096 0.000 2.168 205 S CA 3.373 61.579 58.200 0.010 0.000 4.124 205 S CB -1.228 62.016 63.200 0.073 0.000 0.220 205 S HN 1.998 nan 8.310 nan 0.000 0.750 206 V N -0.238 119.456 119.914 -0.365 0.000 3.444 206 V HA 0.538 4.710 4.120 0.086 0.000 0.308 206 V C 0.245 176.182 176.094 -0.261 0.000 1.371 206 V CA 0.274 62.395 62.300 -0.297 0.000 1.141 206 V CB -0.674 30.957 31.823 -0.322 0.000 1.037 206 V HN 0.462 nan 8.190 nan 0.000 0.433 207 F N 1.426 121.471 119.950 0.157 0.000 2.404 207 F HA 0.482 5.061 4.527 0.087 0.000 0.358 207 F C 1.601 177.397 175.800 -0.008 0.000 1.120 207 F CA -0.805 57.232 58.000 0.062 0.000 1.144 207 F CB 1.270 40.282 39.000 0.020 0.000 1.133 207 F HN 0.135 nan 8.300 nan 0.000 0.495 208 E N 3.060 123.170 120.200 -0.150 0.000 2.097 208 E HA -0.291 4.111 4.350 0.086 0.000 0.196 208 E C 1.940 178.428 176.600 -0.186 0.000 1.000 208 E CA 1.929 57.990 56.400 -0.565 0.000 0.804 208 E CB 0.045 29.077 29.700 -1.113 0.000 0.740 208 E HN 0.742 nan 8.360 nan 0.000 0.454 209 N N 0.669 119.316 118.700 -0.089 0.000 2.166 209 N HA -0.185 4.607 4.740 0.086 0.000 0.186 209 N C 1.818 177.328 175.510 0.001 0.000 1.019 209 N CA 1.102 54.124 53.050 -0.047 0.000 0.856 209 N CB -0.430 38.030 38.487 -0.045 0.000 0.993 209 N HN 0.196 nan 8.380 nan 0.000 0.426 210 L N 0.873 122.130 121.223 0.058 0.000 2.109 210 L HA 0.071 4.463 4.340 0.086 0.000 0.207 210 L C 2.715 179.626 176.870 0.069 0.000 1.086 210 L CA 1.065 55.947 54.840 0.069 0.000 0.760 210 L CB -0.563 41.576 42.059 0.132 0.000 0.910 210 L HN 0.074 nan 8.230 nan 0.000 0.437 211 R N -0.496 120.064 120.500 0.099 0.000 2.096 211 R HA -0.174 4.217 4.340 0.086 0.000 0.235 211 R C 2.223 178.557 176.300 0.056 0.000 1.127 211 R CA 1.117 57.278 56.100 0.102 0.000 0.968 211 R CB -0.484 29.944 30.300 0.213 0.000 0.861 211 R HN 0.371 nan 8.270 nan 0.000 0.440 212 Q N 1.170 120.989 119.800 0.031 0.000 2.046 212 Q HA -0.135 4.257 4.340 0.086 0.000 0.200 212 Q C 1.967 177.970 176.000 0.006 0.000 0.975 212 Q CA 1.705 57.512 55.803 0.007 0.000 0.836 212 Q CB -0.064 28.663 28.738 -0.019 0.000 0.896 212 Q HN 0.361 nan 8.270 nan 0.000 0.428 213 Q N -0.799 119.006 119.800 0.008 0.000 2.084 213 Q HA -0.149 4.242 4.340 0.086 0.000 0.202 213 Q C 2.210 178.222 176.000 0.020 0.000 0.978 213 Q CA 1.510 57.318 55.803 0.009 0.000 0.844 213 Q CB -0.268 28.473 28.738 0.005 0.000 0.898 213 Q HN 0.360 nan 8.270 nan 0.000 0.426 214 S N 0.076 115.790 115.700 0.024 0.000 2.355 214 S HA -0.153 4.369 4.470 0.086 0.000 0.222 214 S C 2.012 176.636 174.600 0.039 0.000 1.031 214 S CA 1.069 59.287 58.200 0.030 0.000 0.993 214 S CB -0.243 62.971 63.200 0.023 0.000 0.859 214 S HN 0.460 nan 8.310 nan 0.000 0.453 215 A N 1.644 124.475 122.820 0.019 0.000 1.883 215 A HA -0.153 4.219 4.320 0.086 0.000 0.217 215 A C 1.895 179.482 177.584 0.004 0.000 1.186 215 A CA 2.051 54.083 52.037 -0.008 0.000 0.624 215 A CB -0.985 17.988 19.000 -0.046 0.000 0.822 215 A HN 0.584 nan 8.150 nan 0.000 0.444 216 D N -0.002 120.404 120.400 0.010 0.000 2.117 216 D HA -0.046 4.646 4.640 0.086 0.000 0.197 216 D C 2.248 178.580 176.300 0.054 0.000 0.987 216 D CA 1.506 55.517 54.000 0.018 0.000 0.829 216 D CB -0.486 40.321 40.800 0.011 0.000 0.961 216 D HN 0.437 nan 8.370 nan 0.000 0.460 217 A N 0.695 123.555 122.820 0.068 0.000 1.902 217 A HA -0.142 4.230 4.320 0.086 0.000 0.217 217 A C 2.139 179.825 177.584 0.170 0.000 1.181 217 A CA 0.926 53.021 52.037 0.096 0.000 0.623 217 A CB -0.591 18.460 19.000 0.084 0.000 0.818 217 A HN 0.126 nan 8.150 nan 0.000 0.443 218 L N -0.447 120.908 121.223 0.220 0.000 2.046 218 L HA -0.081 4.311 4.340 0.086 0.000 0.208 218 L C 2.937 180.104 176.870 0.495 0.000 1.077 218 L CA 1.880 56.977 54.840 0.429 0.000 0.747 218 L CB -1.078 41.224 42.059 0.405 0.000 0.896 218 L HN 0.400 nan 8.230 nan 0.000 0.432 219 A N -1.136 121.849 122.820 0.276 0.000 1.969 219 A HA -0.209 4.163 4.320 0.086 0.000 0.218 219 A C 2.275 179.939 177.584 0.132 0.000 1.169 219 A CA 1.548 53.694 52.037 0.183 0.000 0.635 219 A CB -0.433 18.570 19.000 0.005 0.000 0.810 219 A HN 0.398 nan 8.150 nan 0.000 0.445 220 E N 0.405 120.666 120.200 0.102 0.000 2.072 220 E HA -0.121 4.281 4.350 0.086 0.000 0.191 220 E C 1.675 178.294 176.600 0.032 0.000 0.985 220 E CA 1.417 57.852 56.400 0.058 0.000 0.801 220 E CB -0.353 29.378 29.700 0.053 0.000 0.750 220 E HN 0.650 nan 8.360 nan 0.000 0.452 221 I N -0.377 120.218 120.570 0.041 0.000 2.233 221 I HA 0.022 4.244 4.170 0.086 0.000 0.243 221 I C 0.975 176.945 176.117 -0.245 0.000 1.093 221 I CA 0.770 62.017 61.300 -0.090 0.000 1.380 221 I CB -0.392 37.562 38.000 -0.076 0.000 1.067 221 I HN 0.296 nan 8.210 nan 0.000 0.413 222 G N 1.014 109.700 108.800 -0.189 0.000 3.322 222 G HA2 -0.160 3.851 3.960 0.086 0.000 0.686 222 G HA3 -0.160 3.851 3.960 0.086 0.000 0.686 222 G C -0.866 173.669 174.900 -0.608 0.000 1.015 222 G CA -0.836 44.155 45.100 -0.183 0.000 0.826 222 G HN 0.069 nan 8.290 nan 0.000 0.538 223 F N 0.428 120.286 119.950 -0.153 0.000 2.650 223 F HA 0.543 5.121 4.527 0.086 0.000 0.320 223 F C 0.992 176.518 175.800 -0.457 0.000 1.091 223 F CA -0.959 56.786 58.000 -0.425 0.000 0.962 223 F CB 1.555 40.108 39.000 -0.745 0.000 1.363 223 F HN 0.342 nan 8.300 nan 0.000 0.482 224 D N 0.279 120.488 120.400 -0.319 0.000 2.277 224 D HA 0.200 4.892 4.640 0.086 0.000 0.208 224 D C 0.605 176.488 176.300 -0.695 0.000 0.962 224 D CA 0.863 54.552 54.000 -0.518 0.000 0.865 224 D CB 0.462 40.727 40.800 -0.892 0.000 0.939 224 D HN 0.587 nan 8.370 nan 0.000 0.510 225 G N -0.690 107.405 108.800 -1.175 0.000 2.677 225 G HA2 0.470 4.482 3.960 0.086 0.000 0.291 225 G HA3 0.470 4.482 3.960 0.086 0.000 0.291 225 G C -2.048 172.024 174.900 -1.380 0.000 1.435 225 G CA -0.716 43.358 45.100 -1.709 0.000 0.826 225 G HN -0.086 nan 8.290 nan 0.000 0.491 226 Y N 0.074 120.047 120.300 -0.544 0.000 2.338 226 Y HA 0.678 5.280 4.550 0.086 0.000 0.333 226 Y C 0.554 176.384 175.900 -0.116 0.000 0.968 226 Y CA -0.661 57.291 58.100 -0.247 0.000 1.123 226 Y CB 2.261 40.648 38.460 -0.121 0.000 1.165 226 Y HN 0.810 nan 8.280 nan 0.000 0.452 227 A N 2.337 125.161 122.820 0.007 0.000 2.295 227 A HA 0.771 5.142 4.320 0.086 0.000 0.318 227 A C -0.961 176.550 177.584 -0.122 0.000 1.134 227 A CA -0.705 51.299 52.037 -0.055 0.000 0.827 227 A CB 0.760 19.670 19.000 -0.150 0.000 1.136 227 A HN 0.531 nan 8.150 nan 0.000 0.493 228 V N 2.519 122.323 119.914 -0.185 0.000 2.318 228 V HA 0.528 4.700 4.120 0.086 0.000 0.271 228 V C 0.978 176.939 176.094 -0.222 0.000 1.030 228 V CA 0.188 62.389 62.300 -0.165 0.000 0.844 228 V CB 0.599 32.333 31.823 -0.148 0.000 1.015 228 V HN 1.115 nan 8.190 nan 0.000 0.460 229 G N 2.581 111.264 108.800 -0.195 0.000 2.531 229 G HA2 0.561 4.573 3.960 0.086 0.000 0.313 229 G HA3 0.561 4.573 3.960 0.086 0.000 0.313 229 G C 0.892 175.679 174.900 -0.189 0.000 1.238 229 G CA -0.039 44.927 45.100 -0.224 0.000 0.994 229 G HN 1.514 nan 8.290 nan 0.000 0.493 230 G N -1.955 106.717 108.800 -0.214 0.000 2.162 230 G HA2 -0.220 3.792 3.960 0.086 0.000 0.260 230 G HA3 -0.220 3.792 3.960 0.086 0.000 0.260 230 G C 0.238 175.023 174.900 -0.192 0.000 0.976 230 G CA 0.753 45.754 45.100 -0.166 0.000 0.655 230 G HN 0.594 nan 8.290 nan 0.000 0.533 231 L N -1.432 119.655 121.223 -0.226 0.000 2.271 231 L HA 0.722 5.114 4.340 0.086 0.000 0.265 231 L C 1.523 178.262 176.870 -0.218 0.000 1.013 231 L CA -0.637 54.069 54.840 -0.223 0.000 0.820 231 L CB 1.665 43.619 42.059 -0.175 0.000 1.352 231 L HN 1.204 nan 8.230 nan 0.000 0.443 232 A N 0.612 123.323 122.820 -0.182 0.000 2.846 232 A HA -0.123 4.249 4.320 0.086 0.000 0.287 232 A C 0.305 177.822 177.584 -0.112 0.000 1.469 232 A CA 0.835 52.799 52.037 -0.121 0.000 0.757 232 A CB -2.214 16.738 19.000 -0.080 0.000 1.033 232 A HN 1.006 nan 8.150 nan 0.000 0.516 233 V N -4.839 114.989 119.914 -0.143 0.000 3.166 233 V HA 0.707 4.879 4.120 0.086 0.000 0.332 233 V C 1.280 177.378 176.094 0.007 0.000 1.434 233 V CA 0.706 62.988 62.300 -0.030 0.000 1.121 233 V CB -0.108 31.714 31.823 -0.001 0.000 1.062 233 V HN 2.368 nan 8.190 nan 0.000 0.489 234 G N 0.631 109.390 108.800 -0.068 0.000 2.367 234 G HA2 -0.155 3.857 3.960 0.086 0.000 0.181 234 G HA3 -0.155 3.857 3.960 0.086 0.000 0.181 234 G C 0.079 174.944 174.900 -0.059 0.000 1.000 234 G CA 0.020 45.142 45.100 0.036 0.000 0.693 234 G HN 0.847 nan 8.290 nan 0.000 0.480 235 E N 1.980 121.918 120.200 -0.436 0.000 2.343 235 E HA 0.555 4.956 4.350 0.086 0.000 0.269 235 E C 0.808 177.297 176.600 -0.186 0.000 1.047 235 E CA 0.135 56.290 56.400 -0.409 0.000 0.874 235 E CB 0.815 30.094 29.700 -0.701 0.000 1.033 235 E HN 0.598 nan 8.360 nan 0.000 0.409 236 G N 1.039 109.775 108.800 -0.107 0.000 2.634 236 G HA2 -0.068 3.944 3.960 0.086 0.000 0.255 236 G HA3 -0.068 3.944 3.960 0.086 0.000 0.255 236 G C 0.554 175.339 174.900 -0.192 0.000 1.205 236 G CA 0.103 45.138 45.100 -0.109 0.000 0.884 236 G HN 0.757 nan 8.290 nan 0.000 0.549 237 Q N -0.743 118.908 119.800 -0.247 0.000 2.084 237 Q HA -0.150 4.241 4.340 0.086 0.000 0.202 237 Q C 1.660 177.346 176.000 -0.523 0.000 0.978 237 Q CA 1.854 57.366 55.803 -0.485 0.000 0.844 237 Q CB -0.084 28.328 28.738 -0.543 0.000 0.898 237 Q HN 0.629 nan 8.270 nan 0.000 0.426 238 D N 0.392 120.629 120.400 -0.272 0.000 2.116 238 D HA -0.202 4.490 4.640 0.086 0.000 0.193 238 D C 1.759 178.017 176.300 -0.071 0.000 0.998 238 D CA 1.542 55.470 54.000 -0.120 0.000 0.836 238 D CB -0.205 40.564 40.800 -0.053 0.000 0.951 238 D HN 0.309 nan 8.370 nan 0.000 0.449 239 E N 0.331 120.475 120.200 -0.094 0.000 2.077 239 E HA -0.125 4.276 4.350 0.086 0.000 0.193 239 E C 2.089 178.625 176.600 -0.107 0.000 0.989 239 E CA 0.717 57.072 56.400 -0.076 0.000 0.800 239 E CB -0.295 29.360 29.700 -0.076 0.000 0.746 239 E HN 0.251 nan 8.360 nan 0.000 0.452 240 M N -0.790 118.717 119.600 -0.155 0.000 2.080 240 M HA -0.162 4.370 4.480 0.086 0.000 0.260 240 M C 1.360 177.684 176.300 0.041 0.000 1.068 240 M CA 1.490 56.719 55.300 -0.120 0.000 1.109 240 M CB -0.148 32.360 32.600 -0.155 0.000 1.342 240 M HN 0.115 nan 8.290 nan 0.000 0.405 241 F N 0.402 120.298 119.950 -0.090 0.000 2.171 241 F HA -0.119 4.459 4.527 0.085 0.000 0.300 241 F C 2.673 178.391 175.800 -0.137 0.000 1.090 241 F CA 1.401 59.353 58.000 -0.080 0.000 1.293 241 F CB -1.340 37.641 39.000 -0.033 0.000 1.013 241 F HN 0.270 nan 8.300 nan 0.000 0.486 242 R N 0.319 120.855 120.500 0.061 0.000 2.081 242 R HA -0.132 4.260 4.340 0.086 0.000 0.235 242 R C 2.117 178.202 176.300 -0.358 0.000 1.131 242 R CA 1.590 57.657 56.100 -0.055 0.000 0.960 242 R CB -0.407 29.896 30.300 0.005 0.000 0.856 242 R HN 0.131 nan 8.270 nan 0.000 0.436 243 V N 1.285 120.948 119.914 -0.418 0.000 2.427 243 V HA -0.221 3.951 4.120 0.086 0.000 0.248 243 V C 2.330 177.927 176.094 -0.828 0.000 1.051 243 V CA 1.517 63.320 62.300 -0.827 0.000 1.048 243 V CB -0.345 31.249 31.823 -0.383 0.000 0.666 243 V HN 0.343 nan 8.190 nan 0.000 0.456 244 L N -0.332 120.664 121.223 -0.377 0.000 2.093 244 L HA -0.165 4.226 4.340 0.086 0.000 0.208 244 L C 2.406 179.123 176.870 -0.256 0.000 1.085 244 L CA 1.362 56.056 54.840 -0.244 0.000 0.755 244 L CB -0.806 41.211 42.059 -0.070 0.000 0.904 244 L HN 0.337 nan 8.230 nan 0.000 0.435 245 D N 0.563 120.809 120.400 -0.256 0.000 2.133 245 D HA -0.230 4.462 4.640 0.086 0.000 0.192 245 D C 1.858 178.120 176.300 -0.063 0.000 1.001 245 D CA 1.858 55.778 54.000 -0.134 0.000 0.844 245 D CB -0.161 40.601 40.800 -0.064 0.000 0.944 245 D HN 0.500 nan 8.370 nan 0.000 0.447 246 F N -0.646 119.298 119.950 -0.010 0.000 2.714 246 F HA 0.378 4.957 4.527 0.087 0.000 0.294 246 F C 2.099 177.877 175.800 -0.037 0.000 1.120 246 F CA -0.181 57.808 58.000 -0.018 0.000 1.398 246 F CB -0.450 38.546 39.000 -0.008 0.000 1.120 246 F HN -0.255 nan 8.300 nan 0.000 0.589 247 S N 1.110 116.808 115.700 -0.004 0.000 2.362 247 S HA -0.057 4.465 4.470 0.086 0.000 0.221 247 S C 2.178 176.739 174.600 -0.065 0.000 1.032 247 S CA 1.220 59.444 58.200 0.041 0.000 0.973 247 S CB -0.526 62.620 63.200 -0.089 0.000 0.849 247 S HN 0.250 nan 8.310 nan 0.000 0.465 248 V N 2.842 122.678 119.914 -0.130 0.000 2.343 248 V HA -0.095 4.077 4.120 0.086 0.000 0.247 248 V C -0.891 175.071 176.094 -0.221 0.000 1.051 248 V CA 1.619 63.788 62.300 -0.217 0.000 1.036 248 V CB -1.905 29.816 31.823 -0.171 0.000 0.654 248 V HN 0.327 nan 8.190 nan 0.000 0.451 249 P HA -0.106 nan 4.420 nan 0.000 0.225 249 P C 1.737 178.993 177.300 -0.072 0.000 1.148 249 P CA 1.333 64.398 63.100 -0.059 0.000 0.779 249 P CB -0.128 31.572 31.700 -0.001 0.000 0.780 250 M N -1.942 117.612 119.600 -0.077 0.000 2.394 250 M HA -0.018 4.514 4.480 0.086 0.000 0.264 250 M C 0.732 176.939 176.300 -0.155 0.000 1.073 250 M CA 0.845 56.099 55.300 -0.077 0.000 1.111 250 M CB -0.488 32.091 32.600 -0.034 0.000 1.401 250 M HN -0.098 nan 8.290 nan 0.000 0.448 251 L N 0.506 121.579 121.223 -0.250 0.000 2.418 251 L HA 0.269 4.661 4.340 0.086 0.000 0.265 251 L C -2.077 174.619 176.870 -0.290 0.000 1.143 251 L CA -2.198 52.410 54.840 -0.386 0.000 0.809 251 L CB -0.340 41.416 42.059 -0.504 0.000 1.124 251 L HN -0.251 nan 8.230 nan 0.000 0.456 252 P HA -0.049 nan 4.420 nan 0.000 0.263 252 P C -0.100 177.267 177.300 0.111 0.000 1.195 252 P CA 0.276 63.292 63.100 -0.140 0.000 0.762 252 P CB 0.561 32.146 31.700 -0.192 0.000 0.799 253 D N 2.667 123.138 120.400 0.118 0.000 2.144 253 D HA -0.186 4.506 4.640 0.086 0.000 0.200 253 D C 1.017 177.426 176.300 0.181 0.000 0.978 253 D CA 1.140 55.255 54.000 0.191 0.000 0.833 253 D CB -0.048 40.819 40.800 0.111 0.000 0.961 253 D HN 0.387 nan 8.370 nan 0.000 0.470 254 D N -0.682 119.815 120.400 0.161 0.000 2.323 254 D HA -0.020 4.672 4.640 0.086 0.000 0.239 254 D C -0.149 176.368 176.300 0.362 0.000 1.129 254 D CA 0.204 54.321 54.000 0.195 0.000 0.865 254 D CB 0.015 40.891 40.800 0.127 0.000 0.913 254 D HN 0.014 nan 8.370 nan 0.000 0.517 255 K N 0.470 121.051 120.400 0.302 0.000 2.395 255 K HA 0.478 4.850 4.320 0.086 0.000 0.247 255 K C -2.849 173.587 176.600 -0.274 0.000 0.973 255 K CA -2.385 54.027 56.287 0.208 0.000 0.828 255 K CB 1.515 34.191 32.500 0.294 0.000 1.272 255 K HN -0.124 nan 8.250 nan 0.000 0.439 256 P HA 0.070 nan 4.420 nan 0.000 0.269 256 P C -0.839 176.249 177.300 -0.354 0.000 1.209 256 P CA 0.187 62.755 63.100 -0.885 0.000 0.776 256 P CB 0.332 31.602 31.700 -0.717 0.000 0.876 257 H N 1.918 120.890 119.070 -0.163 0.000 2.551 257 H HA 0.283 4.891 4.556 0.086 0.000 0.321 257 H C -0.898 174.409 175.328 -0.034 0.000 1.028 257 H CA -0.371 55.635 56.048 -0.069 0.000 1.215 257 H CB 0.386 30.113 29.762 -0.059 0.000 1.414 257 H HN 0.384 nan 8.280 nan 0.000 0.480 258 Y N 4.349 124.636 120.300 -0.022 0.000 2.334 258 Y HA 0.317 4.919 4.550 0.087 0.000 0.336 258 Y C -1.362 174.459 175.900 -0.132 0.000 0.960 258 Y CA -1.630 56.416 58.100 -0.089 0.000 1.164 258 Y CB 0.759 39.261 38.460 0.070 0.000 1.155 258 Y HN 0.466 nan 8.280 nan 0.000 0.478 259 L N 7.885 128.998 121.223 -0.184 0.000 2.270 259 L HA 0.426 4.818 4.340 0.086 0.000 0.286 259 L C -0.598 176.073 176.870 -0.331 0.000 1.059 259 L CA -0.324 54.352 54.840 -0.274 0.000 0.839 259 L CB 0.101 42.068 42.059 -0.154 0.000 1.221 259 L HN 0.701 nan 8.230 nan 0.000 0.431 260 M N 5.057 124.285 119.600 -0.619 0.000 2.246 260 M HA 0.244 4.776 4.480 0.086 0.000 0.350 260 M C 1.436 177.619 176.300 -0.196 0.000 1.406 260 M CA 0.835 55.813 55.300 -0.536 0.000 1.089 260 M CB 0.216 32.457 32.600 -0.599 0.000 1.782 260 M HN 0.864 nan 8.290 nan 0.000 0.457 261 G N 2.407 111.187 108.800 -0.034 0.000 2.184 261 G HA2 -0.204 3.808 3.960 0.086 0.000 0.264 261 G HA3 -0.204 3.808 3.960 0.086 0.000 0.264 261 G C -0.058 174.908 174.900 0.110 0.000 0.975 261 G CA -0.139 44.975 45.100 0.024 0.000 0.642 261 G HN 0.578 nan 8.290 nan 0.000 0.536 262 V N 0.473 120.506 119.914 0.197 0.000 2.432 262 V HA 0.676 4.848 4.120 0.086 0.000 0.275 262 V C 1.268 177.601 176.094 0.398 0.000 1.043 262 V CA 0.977 63.444 62.300 0.278 0.000 0.925 262 V CB 1.276 33.303 31.823 0.340 0.000 0.985 262 V HN 0.715 nan 8.190 nan 0.000 0.466 263 G N 3.810 112.786 108.800 0.294 0.000 2.453 263 G HA2 0.079 4.091 3.960 0.086 0.000 0.184 263 G HA3 0.079 4.091 3.960 0.086 0.000 0.184 263 G C 0.446 175.457 174.900 0.185 0.000 1.342 263 G CA -0.364 44.945 45.100 0.349 0.000 0.771 263 G HN 0.515 nan 8.290 nan 0.000 0.956 264 K N 1.439 121.922 120.400 0.138 0.000 2.543 264 K HA 0.034 4.405 4.320 0.086 0.000 0.279 264 K C -1.560 174.968 176.600 -0.120 0.000 1.001 264 K CA -0.699 55.640 56.287 0.086 0.000 1.088 264 K CB 1.374 33.971 32.500 0.162 0.000 0.863 264 K HN -0.041 nan 8.250 nan 0.000 0.488 265 P HA -0.272 nan 4.420 nan 0.000 0.217 265 P C 0.619 177.735 177.300 -0.307 0.000 1.162 265 P CA 1.654 64.438 63.100 -0.526 0.000 0.901 265 P CB 0.099 31.495 31.700 -0.507 0.000 0.793 266 D N -1.317 119.072 120.400 -0.019 0.000 2.219 266 D HA -0.163 4.529 4.640 0.086 0.000 0.205 266 D C 1.231 177.680 176.300 0.247 0.000 0.970 266 D CA 1.060 55.211 54.000 0.251 0.000 0.851 266 D CB -1.037 40.108 40.800 0.575 0.000 0.943 266 D HN 0.146 nan 8.370 nan 0.000 0.488 267 D N 0.949 121.447 120.400 0.164 0.000 2.117 267 D HA -0.037 4.655 4.640 0.086 0.000 0.198 267 D C 2.400 178.817 176.300 0.194 0.000 0.982 267 D CA 0.456 54.593 54.000 0.229 0.000 0.828 267 D CB -0.147 40.729 40.800 0.127 0.000 0.967 267 D HN 0.329 nan 8.370 nan 0.000 0.464 268 I N 0.466 120.968 120.570 -0.114 0.000 2.179 268 I HA -0.223 3.998 4.170 0.086 0.000 0.242 268 I C 2.417 178.407 176.117 -0.210 0.000 1.088 268 I CA 0.613 61.625 61.300 -0.480 0.000 1.357 268 I CB -0.223 37.269 38.000 -0.846 0.000 1.051 268 I HN -0.111 nan 8.210 nan 0.000 0.409 269 V N 1.187 121.013 119.914 -0.147 0.000 2.287 269 V HA -0.256 3.916 4.120 0.086 0.000 0.248 269 V C 2.593 178.765 176.094 0.130 0.000 1.053 269 V CA 2.311 64.620 62.300 0.015 0.000 1.027 269 V CB -1.474 30.271 31.823 -0.131 0.000 0.646 269 V HN 0.594 nan 8.190 nan 0.000 0.447 270 G N -0.761 108.096 108.800 0.096 0.000 2.422 270 G HA2 -0.146 3.866 3.960 0.086 0.000 0.218 270 G HA3 -0.146 3.866 3.960 0.086 0.000 0.218 270 G C 1.716 176.460 174.900 -0.260 0.000 1.140 270 G CA 0.967 45.932 45.100 -0.225 0.000 0.775 270 G HN 0.619 nan 8.290 nan 0.000 0.545 271 A N 0.109 122.992 122.820 0.104 0.000 1.929 271 A HA 0.165 4.537 4.320 0.086 0.000 0.216 271 A C 2.549 180.287 177.584 0.255 0.000 1.176 271 A CA 1.534 53.715 52.037 0.240 0.000 0.628 271 A CB -0.442 18.905 19.000 0.578 0.000 0.816 271 A HN 0.221 nan 8.150 nan 0.000 0.444 272 V N 0.300 120.405 119.914 0.320 0.000 2.427 272 V HA -0.240 3.931 4.120 0.086 0.000 0.248 272 V C 2.236 178.448 176.094 0.197 0.000 1.051 272 V CA 2.108 64.551 62.300 0.239 0.000 1.048 272 V CB -0.811 31.086 31.823 0.124 0.000 0.666 272 V HN 0.627 nan 8.190 nan 0.000 0.456 273 E N -0.149 120.227 120.200 0.293 0.000 2.333 273 E HA -0.162 4.240 4.350 0.086 0.000 0.198 273 E C 1.895 178.552 176.600 0.095 0.000 1.007 273 E CA 0.683 57.251 56.400 0.281 0.000 0.845 273 E CB -0.059 29.707 29.700 0.111 0.000 0.766 273 E HN 0.549 nan 8.360 nan 0.000 0.507 274 R N -0.932 119.590 120.500 0.037 0.000 2.468 274 R HA 0.152 4.544 4.340 0.086 0.000 0.280 274 R C 0.733 177.057 176.300 0.040 0.000 0.963 274 R CA 0.427 56.526 56.100 -0.002 0.000 1.083 274 R CB 1.138 31.390 30.300 -0.080 0.000 1.200 274 R HN 0.171 nan 8.270 nan 0.000 0.541 275 G N 0.835 109.689 108.800 0.089 0.000 2.163 275 G HA2 -0.183 3.829 3.960 0.086 0.000 0.213 275 G HA3 -0.183 3.829 3.960 0.086 0.000 0.213 275 G C 0.040 175.057 174.900 0.195 0.000 0.991 275 G CA -0.622 44.564 45.100 0.144 0.000 0.653 275 G HN 0.095 nan 8.290 nan 0.000 0.518 276 I N 1.535 122.178 120.570 0.120 0.000 2.472 276 I HA 0.325 4.547 4.170 0.086 0.000 0.290 276 I C 0.475 176.584 176.117 -0.014 0.000 1.016 276 I CA -0.251 61.063 61.300 0.023 0.000 1.348 276 I CB 1.230 39.158 38.000 -0.120 0.000 1.417 276 I HN 0.042 nan 8.210 nan 0.000 0.521 277 D N 4.823 125.164 120.400 -0.098 0.000 2.454 277 D HA 0.205 4.897 4.640 0.086 0.000 0.214 277 D C 0.265 176.512 176.300 -0.088 0.000 1.088 277 D CA 0.701 54.665 54.000 -0.059 0.000 0.855 277 D CB 1.073 41.804 40.800 -0.114 0.000 1.025 277 D HN 0.401 nan 8.370 nan 0.000 0.502 278 M N 0.173 119.609 119.600 -0.274 0.000 2.501 278 M HA 0.447 4.979 4.480 0.086 0.000 0.293 278 M C -1.497 174.569 176.300 -0.390 0.000 1.192 278 M CA -0.586 54.595 55.300 -0.199 0.000 0.886 278 M CB 2.949 35.437 32.600 -0.186 0.000 1.710 278 M HN -0.306 nan 8.290 nan 0.000 0.457 279 F N 0.026 120.066 119.950 0.150 0.000 2.626 279 F HA 0.660 5.238 4.527 0.085 0.000 0.311 279 F C -0.906 174.881 175.800 -0.023 0.000 1.088 279 F CA -0.771 57.364 58.000 0.224 0.000 0.949 279 F CB 2.071 41.278 39.000 0.345 0.000 1.322 279 F HN 0.650 nan 8.300 nan 0.000 0.461 280 D N -0.560 119.985 120.400 0.241 0.000 2.717 280 D HA 0.600 5.292 4.640 0.086 0.000 0.223 280 D C -1.716 174.660 176.300 0.128 0.000 1.240 280 D CA -0.438 53.488 54.000 -0.124 0.000 0.801 280 D CB 2.045 42.818 40.800 -0.045 0.000 1.556 280 D HN 0.830 nan 8.370 nan 0.000 0.462 281 C N 2.061 121.424 119.300 0.105 0.000 3.279 281 C HA 0.449 4.961 4.460 0.086 0.000 0.386 281 C C 0.728 175.798 174.990 0.133 0.000 1.081 281 C CA -0.136 59.003 59.018 0.202 0.000 1.192 281 C CB 1.036 28.980 27.740 0.341 0.000 1.552 281 C HN 0.933 nan 8.230 nan 0.000 0.559 282 V N 3.347 123.308 119.914 0.079 0.000 3.541 282 V HA 0.108 4.280 4.120 0.086 0.000 0.267 282 V C 1.681 177.800 176.094 0.042 0.000 1.213 282 V CA 1.388 63.711 62.300 0.040 0.000 1.149 282 V CB -0.706 31.134 31.823 0.028 0.000 0.822 282 V HN 0.850 nan 8.190 nan 0.000 0.462 283 L N 1.594 122.858 121.223 0.067 0.000 1.997 283 L HA -0.043 4.349 4.340 0.086 0.000 0.216 283 L C 0.133 177.053 176.870 0.084 0.000 1.074 283 L CA 2.843 57.745 54.840 0.104 0.000 0.763 283 L CB -1.667 40.491 42.059 0.166 0.000 0.890 283 L HN 0.285 nan 8.230 nan 0.000 0.434 284 P HA -0.162 nan 4.420 nan 0.000 0.215 284 P C 1.624 178.914 177.300 -0.016 0.000 1.157 284 P CA 2.646 65.627 63.100 -0.198 0.000 0.874 284 P CB -0.344 30.960 31.700 -0.659 0.000 0.790 285 T N -1.596 112.941 114.554 -0.028 0.000 2.770 285 T HA -0.098 4.303 4.350 0.086 0.000 0.258 285 T C 1.862 176.564 174.700 0.003 0.000 1.039 285 T CA 1.060 63.153 62.100 -0.010 0.000 1.143 285 T CB -0.895 67.959 68.868 -0.023 0.000 0.866 285 T HN 0.071 nan 8.240 nan 0.000 0.428 286 R N 2.267 122.774 120.500 0.012 0.000 2.083 286 R HA 0.059 4.450 4.340 0.086 0.000 0.237 286 R C 2.357 178.667 176.300 0.017 0.000 1.137 286 R CA 2.133 58.242 56.100 0.015 0.000 0.951 286 R CB -1.375 28.941 30.300 0.027 0.000 0.851 286 R HN 0.353 nan 8.270 nan 0.000 0.434 287 S N 0.182 115.907 115.700 0.042 0.000 2.402 287 S HA 0.030 4.552 4.470 0.086 0.000 0.229 287 S C 1.983 176.570 174.600 -0.022 0.000 1.021 287 S CA 0.943 59.154 58.200 0.018 0.000 0.974 287 S CB -0.604 62.631 63.200 0.058 0.000 0.800 287 S HN 0.706 nan 8.310 nan 0.000 0.484 288 G N 2.009 110.814 108.800 0.007 0.000 2.440 288 G HA2 -0.215 3.797 3.960 0.086 0.000 0.218 288 G HA3 -0.215 3.797 3.960 0.086 0.000 0.218 288 G C 1.453 176.327 174.900 -0.042 0.000 1.154 288 G CA 0.398 45.491 45.100 -0.012 0.000 0.767 288 G HN 0.416 nan 8.290 nan 0.000 0.552 289 R N -0.194 120.285 120.500 -0.035 0.000 2.189 289 R HA -0.006 4.386 4.340 0.086 0.000 0.223 289 R C 1.956 178.222 176.300 -0.057 0.000 1.092 289 R CA 1.015 57.086 56.100 -0.049 0.000 0.989 289 R CB -0.204 30.073 30.300 -0.038 0.000 0.876 289 R HN 0.297 nan 8.270 nan 0.000 0.457 290 N N -0.596 118.074 118.700 -0.049 0.000 2.398 290 N HA -0.009 4.782 4.740 0.086 0.000 0.188 290 N C 0.681 176.150 175.510 -0.069 0.000 1.122 290 N CA 0.878 53.898 53.050 -0.051 0.000 0.866 290 N CB 0.748 39.214 38.487 -0.035 0.000 0.970 290 N HN 0.323 nan 8.380 nan 0.000 0.462 291 G N -0.313 108.435 108.800 -0.086 0.000 2.179 291 G HA2 -0.275 3.737 3.960 0.086 0.000 0.220 291 G HA3 -0.275 3.737 3.960 0.086 0.000 0.220 291 G C -0.061 174.758 174.900 -0.136 0.000 0.990 291 G CA 0.054 45.092 45.100 -0.103 0.000 0.646 291 G HN 0.510 nan 8.290 nan 0.000 0.517 292 Q N 0.717 120.422 119.800 -0.158 0.000 2.294 292 Q HA 0.663 5.055 4.340 0.086 0.000 0.257 292 Q C 0.030 175.825 176.000 -0.341 0.000 0.955 292 Q CA 0.241 55.884 55.803 -0.266 0.000 0.936 292 Q CB 0.878 29.433 28.738 -0.305 0.000 1.188 292 Q HN 0.882 nan 8.270 nan 0.000 0.420 293 A N 4.449 127.038 122.820 -0.385 0.000 2.331 293 A HA 0.607 4.979 4.320 0.086 0.000 0.320 293 A C -1.365 175.942 177.584 -0.462 0.000 1.138 293 A CA -0.620 51.236 52.037 -0.302 0.000 0.790 293 A CB 0.591 19.436 19.000 -0.258 0.000 1.206 293 A HN 0.739 nan 8.150 nan 0.000 0.470 294 F N 1.613 121.427 119.950 -0.226 0.000 2.396 294 F HA 0.556 5.133 4.527 0.083 0.000 0.343 294 F C 1.300 176.556 175.800 -0.906 0.000 1.104 294 F CA 0.577 58.229 58.000 -0.579 0.000 1.161 294 F CB 1.973 40.526 39.000 -0.744 0.000 1.146 294 F HN 0.658 nan 8.300 nan 0.000 0.522 295 T N -1.579 112.598 114.554 -0.629 0.000 2.883 295 T HA 0.259 4.661 4.350 0.086 0.000 0.296 295 T C 0.122 174.715 174.700 -0.179 0.000 1.117 295 T CA -0.880 60.954 62.100 -0.444 0.000 1.006 295 T CB 0.767 69.544 68.868 -0.153 0.000 1.191 295 T HN 0.587 nan 8.240 nan 0.000 0.508 296 W N 0.266 121.779 121.300 0.356 0.000 2.611 296 W HA 0.139 4.850 4.660 0.085 0.000 0.251 296 W C 1.188 177.798 176.519 0.151 0.000 1.265 296 W CA 0.082 57.678 57.345 0.417 0.000 1.295 296 W CB 0.132 29.799 29.460 0.345 0.000 1.129 296 W HN 0.655 nan 8.180 nan 0.000 0.630 297 D N -0.384 120.114 120.400 0.164 0.000 2.388 297 D HA 0.266 4.957 4.640 0.086 0.000 0.221 297 D C 1.033 177.162 176.300 -0.284 0.000 1.133 297 D CA 0.848 54.832 54.000 -0.027 0.000 0.831 297 D CB 0.221 41.030 40.800 0.014 0.000 0.962 297 D HN 0.103 nan 8.370 nan 0.000 0.502 298 G N 2.394 110.867 108.800 -0.545 0.000 2.612 298 G HA2 -0.142 3.870 3.960 0.086 0.000 0.686 298 G HA3 -0.142 3.870 3.960 0.086 0.000 0.686 298 G C -3.035 171.553 174.900 -0.520 0.000 1.274 298 G CA -1.132 43.369 45.100 -0.998 0.000 0.849 298 G HN -0.134 nan 8.290 nan 0.000 0.595 299 P HA 0.582 nan 4.420 nan 0.000 0.274 299 P C 0.054 177.192 177.300 -0.271 0.000 1.231 299 P CA -0.152 62.722 63.100 -0.376 0.000 0.790 299 P CB 1.031 32.492 31.700 -0.400 0.000 0.951 300 I N -1.527 118.882 120.570 -0.269 0.000 2.828 300 I HA 0.557 4.779 4.170 0.086 0.000 0.302 300 I C -0.719 175.303 176.117 -0.158 0.000 1.101 300 I CA -1.122 60.098 61.300 -0.134 0.000 1.031 300 I CB 2.492 40.422 38.000 -0.116 0.000 1.231 300 I HN 0.095 nan 8.210 nan 0.000 0.427 301 N N 3.639 122.337 118.700 -0.003 0.000 2.469 301 N HA 0.256 5.048 4.740 0.086 0.000 0.253 301 N C 0.317 175.869 175.510 0.069 0.000 0.970 301 N CA -0.395 52.645 53.050 -0.017 0.000 0.940 301 N CB 1.735 40.232 38.487 0.018 0.000 1.128 301 N HN 0.863 nan 8.380 nan 0.000 0.503 302 I N 4.235 124.734 120.570 -0.118 0.000 2.700 302 I HA -0.112 4.110 4.170 0.086 0.000 0.261 302 I C 1.964 178.225 176.117 0.240 0.000 1.219 302 I CA 1.043 62.266 61.300 -0.129 0.000 1.463 302 I CB 0.057 37.929 38.000 -0.214 0.000 1.092 302 I HN 0.492 nan 8.210 nan 0.000 0.452 303 R N 0.115 120.711 120.500 0.160 0.000 2.189 303 R HA -0.031 4.360 4.340 0.086 0.000 0.218 303 R C 0.972 177.461 176.300 0.314 0.000 1.074 303 R CA 0.009 56.192 56.100 0.138 0.000 0.991 303 R CB -0.533 29.776 30.300 0.014 0.000 0.883 303 R HN 0.356 nan 8.270 nan 0.000 0.457 304 N N 1.226 120.130 118.700 0.341 0.000 2.412 304 N HA -0.079 4.713 4.740 0.086 0.000 0.258 304 N C 0.748 176.356 175.510 0.163 0.000 1.236 304 N CA 0.345 53.516 53.050 0.203 0.000 0.882 304 N CB 1.161 39.703 38.487 0.093 0.000 1.066 304 N HN 0.115 nan 8.380 nan 0.000 0.465 305 A N 4.835 127.695 122.820 0.068 0.000 2.076 305 A HA -0.212 4.159 4.320 0.086 0.000 0.220 305 A C 1.940 179.392 177.584 -0.219 0.000 1.160 305 A CA 1.585 53.611 52.037 -0.018 0.000 0.653 305 A CB -0.353 18.648 19.000 0.000 0.000 0.801 305 A HN 0.908 nan 8.150 nan 0.000 0.455 306 R N -2.016 118.286 120.500 -0.330 0.000 2.328 306 R HA 0.009 4.401 4.340 0.086 0.000 0.207 306 R C 0.525 176.505 176.300 -0.534 0.000 1.056 306 R CA 1.324 57.153 56.100 -0.452 0.000 1.016 306 R CB -0.480 29.484 30.300 -0.559 0.000 0.872 306 R HN 0.395 nan 8.270 nan 0.000 0.471 307 F N 1.109 120.903 119.950 -0.260 0.000 2.695 307 F HA 0.196 4.777 4.527 0.090 0.000 0.303 307 F C 2.147 177.687 175.800 -0.434 0.000 1.091 307 F CA 0.042 57.878 58.000 -0.273 0.000 1.300 307 F CB 0.452 39.348 39.000 -0.173 0.000 1.071 307 F HN 0.117 nan 8.300 nan 0.000 0.578 308 S N 0.079 115.469 115.700 -0.516 0.000 2.419 308 S HA -0.183 4.339 4.470 0.086 0.000 0.235 308 S C 1.090 175.652 174.600 -0.063 0.000 1.019 308 S CA 1.500 59.468 58.200 -0.385 0.000 0.982 308 S CB -0.363 62.712 63.200 -0.208 0.000 0.789 308 S HN 0.564 nan 8.310 nan 0.000 0.490 309 E N 0.437 120.610 120.200 -0.045 0.000 2.876 309 E HA 0.195 4.597 4.350 0.086 0.000 0.208 309 E C -1.113 175.505 176.600 0.029 0.000 0.981 309 E CA -0.283 56.122 56.400 0.008 0.000 1.174 309 E CB 0.373 30.070 29.700 -0.004 0.000 1.047 309 E HN 0.331 nan 8.360 nan 0.000 0.477 310 D N 1.409 121.843 120.400 0.057 0.000 2.336 310 D HA 0.096 4.787 4.640 0.086 0.000 0.249 310 D C 0.752 177.109 176.300 0.094 0.000 1.213 310 D CA -0.092 53.964 54.000 0.093 0.000 0.870 310 D CB 0.959 41.878 40.800 0.199 0.000 1.076 310 D HN 0.175 nan 8.370 nan 0.000 0.483 311 L N 3.033 124.299 121.223 0.071 0.000 2.599 311 L HA 0.057 4.449 4.340 0.086 0.000 0.230 311 L C 1.257 178.166 176.870 0.065 0.000 1.141 311 L CA 0.312 55.193 54.840 0.068 0.000 0.877 311 L CB -0.069 42.018 42.059 0.046 0.000 1.009 311 L HN 0.120 nan 8.230 nan 0.000 0.447 312 K N 1.218 121.658 120.400 0.066 0.000 2.168 312 K HA 0.203 4.574 4.320 0.086 0.000 0.258 312 K C -2.158 174.471 176.600 0.048 0.000 1.010 312 K CA -1.688 54.634 56.287 0.057 0.000 0.929 312 K CB 0.238 32.775 32.500 0.062 0.000 0.998 312 K HN -0.165 nan 8.250 nan 0.000 0.479 313 P HA -0.008 nan 4.420 nan 0.000 0.274 313 P C 0.634 177.906 177.300 -0.046 0.000 1.256 313 P CA -0.443 62.673 63.100 0.026 0.000 0.795 313 P CB 0.564 32.295 31.700 0.053 0.000 1.038 314 L N -0.153 120.983 121.223 -0.144 0.000 2.021 314 L HA -0.117 4.275 4.340 0.086 0.000 0.215 314 L C 1.190 177.927 176.870 -0.222 0.000 1.074 314 L CA 2.020 56.668 54.840 -0.321 0.000 0.760 314 L CB -1.049 40.589 42.059 -0.702 0.000 0.889 314 L HN 0.545 nan 8.230 nan 0.000 0.433 315 D N -2.462 117.882 120.400 -0.093 0.000 2.780 315 D HA 0.106 4.797 4.640 0.086 0.000 0.242 315 D C 0.866 177.263 176.300 0.161 0.000 1.135 315 D CA 0.547 54.597 54.000 0.084 0.000 0.859 315 D CB 1.987 42.921 40.800 0.223 0.000 1.530 315 D HN 0.084 nan 8.370 nan 0.000 0.493 316 S N 2.636 118.443 115.700 0.178 0.000 2.419 316 S HA -0.137 4.385 4.470 0.086 0.000 0.233 316 S C 1.114 175.837 174.600 0.204 0.000 1.016 316 S CA 1.017 59.317 58.200 0.166 0.000 0.974 316 S CB -0.002 63.283 63.200 0.143 0.000 0.786 316 S HN 0.613 nan 8.310 nan 0.000 0.492 317 E N -0.325 120.058 120.200 0.305 0.000 2.372 317 E HA 0.202 4.604 4.350 0.086 0.000 0.201 317 E C 0.584 177.399 176.600 0.358 0.000 0.938 317 E CA -0.206 56.376 56.400 0.303 0.000 0.944 317 E CB 0.405 30.277 29.700 0.287 0.000 0.937 317 E HN 0.501 nan 8.360 nan 0.000 0.495 318 C N 3.807 123.365 119.300 0.430 0.000 2.465 318 C HA -0.082 4.429 4.460 0.086 0.000 0.402 318 C C 1.501 176.640 174.990 0.249 0.000 1.448 318 C CA 0.160 59.389 59.018 0.353 0.000 1.589 318 C CB -0.442 27.549 27.740 0.419 0.000 2.535 318 C HN 0.497 nan 8.230 nan 0.000 0.600 319 H N 4.293 123.505 119.070 0.237 0.000 2.507 319 H HA 0.209 4.815 4.556 0.082 0.000 0.294 319 H C 0.933 176.359 175.328 0.163 0.000 1.064 319 H CA 0.066 56.215 56.048 0.168 0.000 1.138 319 H CB -1.339 28.499 29.762 0.126 0.000 1.515 319 H HN 0.831 nan 8.280 nan 0.000 0.547 320 C N 0.104 119.472 119.300 0.113 0.000 2.649 320 C HA 0.626 5.138 4.460 0.086 0.000 0.377 320 C C 2.207 177.318 174.990 0.202 0.000 1.321 320 C CA 0.117 59.228 59.018 0.156 0.000 2.368 320 C CB 0.681 28.519 27.740 0.164 0.000 2.597 320 C HN 0.545 nan 8.230 nan 0.000 0.678 321 A N 1.943 124.885 122.820 0.203 0.000 2.019 321 A HA -0.010 4.362 4.320 0.086 0.000 0.219 321 A C 2.042 179.788 177.584 0.270 0.000 1.164 321 A CA 2.098 54.255 52.037 0.200 0.000 0.644 321 A CB -0.824 18.302 19.000 0.210 0.000 0.805 321 A HN 1.034 nan 8.150 nan 0.000 0.449 322 V N -1.176 118.952 119.914 0.357 0.000 2.358 322 V HA -0.274 3.898 4.120 0.086 0.000 0.246 322 V C 2.455 178.764 176.094 0.358 0.000 1.047 322 V CA 1.948 64.549 62.300 0.502 0.000 1.035 322 V CB -1.038 31.008 31.823 0.372 0.000 0.658 322 V HN 0.681 nan 8.190 nan 0.000 0.452 323 C N -0.323 119.123 119.300 0.243 0.000 2.456 323 C HA -0.065 4.447 4.460 0.086 0.000 0.279 323 C C 2.658 177.712 174.990 0.107 0.000 1.427 323 C CA 0.424 59.539 59.018 0.161 0.000 1.778 323 C CB -1.176 26.669 27.740 0.175 0.000 1.842 323 C HN 0.604 nan 8.230 nan 0.000 0.531 324 Q N 0.202 120.052 119.800 0.084 0.000 2.331 324 Q HA -0.014 4.377 4.340 0.086 0.000 0.203 324 Q C 1.892 177.821 176.000 -0.117 0.000 0.944 324 Q CA 0.883 56.691 55.803 0.009 0.000 0.892 324 Q CB 0.169 28.919 28.738 0.020 0.000 0.983 324 Q HN 0.686 nan 8.270 nan 0.000 0.482 325 K N -1.479 118.780 120.400 -0.236 0.000 2.424 325 K HA 0.106 4.477 4.320 0.086 0.000 0.198 325 K C 0.141 176.342 176.600 -0.666 0.000 1.190 325 K CA 0.105 56.012 56.287 -0.633 0.000 0.935 325 K CB 0.902 32.620 32.500 -1.304 0.000 1.087 325 K HN -0.007 nan 8.250 nan 0.000 0.524 326 W N 2.244 123.578 121.300 0.057 0.000 2.706 326 W HA 0.333 5.019 4.660 0.042 0.000 0.346 326 W C 0.321 176.887 176.519 0.080 0.000 1.071 326 W CA -0.985 56.409 57.345 0.081 0.000 1.206 326 W CB 1.489 31.066 29.460 0.195 0.000 1.413 326 W HN -0.095 nan 8.180 nan 0.000 0.542 327 S N 0.825 116.723 115.700 0.329 0.000 2.672 327 S HA 0.403 4.924 4.470 0.086 0.000 0.276 327 S C 0.957 175.676 174.600 0.198 0.000 1.207 327 S CA -0.557 57.767 58.200 0.207 0.000 1.002 327 S CB 2.004 65.305 63.200 0.167 0.000 0.998 327 S HN 0.489 nan 8.310 nan 0.000 0.542 328 R N 0.623 121.182 120.500 0.099 0.000 2.096 328 R HA -0.062 4.330 4.340 0.086 0.000 0.235 328 R C 2.543 178.920 176.300 0.128 0.000 1.127 328 R CA 1.373 57.489 56.100 0.025 0.000 0.968 328 R CB -0.978 29.291 30.300 -0.052 0.000 0.861 328 R HN 0.825 nan 8.270 nan 0.000 0.440 329 A N 0.457 123.380 122.820 0.172 0.000 1.908 329 A HA -0.237 4.135 4.320 0.086 0.000 0.218 329 A C 1.971 179.737 177.584 0.303 0.000 1.181 329 A CA 1.335 53.496 52.037 0.206 0.000 0.627 329 A CB -0.698 18.397 19.000 0.159 0.000 0.818 329 A HN 0.435 nan 8.150 nan 0.000 0.445 330 Y N 0.476 120.877 120.300 0.169 0.000 2.163 330 Y HA -0.120 4.477 4.550 0.078 0.000 0.288 330 Y C 2.001 177.993 175.900 0.154 0.000 1.136 330 Y CA 1.496 59.707 58.100 0.186 0.000 1.147 330 Y CB -0.333 38.250 38.460 0.205 0.000 0.987 330 Y HN 0.266 nan 8.280 nan 0.000 0.509 331 I N -0.541 120.039 120.570 0.017 0.000 2.286 331 I HA -0.313 3.908 4.170 0.086 0.000 0.248 331 I C 2.401 178.449 176.117 -0.115 0.000 1.115 331 I CA 1.743 62.947 61.300 -0.160 0.000 1.392 331 I CB -0.612 37.337 38.000 -0.086 0.000 1.065 331 I HN 0.297 nan 8.210 nan 0.000 0.418 332 H N 0.544 119.576 119.070 -0.065 0.000 2.319 332 H HA -0.304 4.303 4.556 0.085 0.000 0.299 332 H C 2.381 177.691 175.328 -0.030 0.000 1.092 332 H CA 2.494 58.531 56.048 -0.019 0.000 1.302 332 H CB -0.237 29.576 29.762 0.085 0.000 1.373 332 H HN 0.419 nan 8.280 nan 0.000 0.497 333 H N -0.042 118.992 119.070 -0.059 0.000 2.319 333 H HA -0.100 4.507 4.556 0.084 0.000 0.299 333 H C 2.263 177.450 175.328 -0.235 0.000 1.092 333 H CA 2.158 58.131 56.048 -0.125 0.000 1.302 333 H CB -0.516 29.241 29.762 -0.008 0.000 1.373 333 H HN 0.414 nan 8.280 nan 0.000 0.497 334 L N -0.182 120.690 121.223 -0.585 0.000 2.012 334 L HA -0.182 4.210 4.340 0.086 0.000 0.210 334 L C 2.417 179.027 176.870 -0.432 0.000 1.073 334 L CA 1.001 55.473 54.840 -0.613 0.000 0.748 334 L CB -0.415 41.300 42.059 -0.573 0.000 0.891 334 L HN 0.374 nan 8.230 nan 0.000 0.431 335 I N -0.134 120.230 120.570 -0.343 0.000 2.252 335 I HA -0.235 3.986 4.170 0.086 0.000 0.245 335 I C 2.655 178.615 176.117 -0.262 0.000 1.102 335 I CA 1.508 62.651 61.300 -0.262 0.000 1.385 335 I CB -1.016 36.858 38.000 -0.210 0.000 1.064 335 I HN 0.294 nan 8.210 nan 0.000 0.414 336 R N 0.600 120.903 120.500 -0.329 0.000 2.148 336 R HA -0.025 4.367 4.340 0.086 0.000 0.227 336 R C 2.014 178.176 176.300 -0.230 0.000 1.103 336 R CA 1.186 57.121 56.100 -0.276 0.000 0.983 336 R CB -0.191 29.903 30.300 -0.343 0.000 0.874 336 R HN 0.310 nan 8.270 nan 0.000 0.451 337 A N 0.102 122.737 122.820 -0.307 0.000 2.218 337 A HA 0.212 4.584 4.320 0.086 0.000 0.209 337 A C 1.365 178.830 177.584 -0.199 0.000 1.168 337 A CA 0.656 52.535 52.037 -0.263 0.000 0.804 337 A CB 0.006 18.757 19.000 -0.415 0.000 0.834 337 A HN 0.403 nan 8.150 nan 0.000 0.482 338 G N -0.271 108.411 108.800 -0.196 0.000 2.160 338 G HA2 -0.214 3.798 3.960 0.086 0.000 0.251 338 G HA3 -0.214 3.798 3.960 0.086 0.000 0.251 338 G C -0.211 174.602 174.900 -0.146 0.000 1.008 338 G CA 0.286 45.299 45.100 -0.146 0.000 0.724 338 G HN 0.486 nan 8.290 nan 0.000 0.514 339 E N -0.558 119.526 120.200 -0.193 0.000 2.338 339 E HA 0.340 4.742 4.350 0.086 0.000 0.272 339 E C 1.808 178.317 176.600 -0.153 0.000 1.029 339 E CA -0.575 55.721 56.400 -0.173 0.000 0.872 339 E CB 0.750 30.317 29.700 -0.222 0.000 1.015 339 E HN 0.298 nan 8.360 nan 0.000 0.417 340 I N 2.147 122.649 120.570 -0.113 0.000 2.264 340 I HA -0.299 3.923 4.170 0.086 0.000 0.248 340 I C 2.191 178.237 176.117 -0.119 0.000 1.111 340 I CA 0.709 61.950 61.300 -0.098 0.000 1.382 340 I CB -0.161 37.798 38.000 -0.069 0.000 1.060 340 I HN 0.402 nan 8.210 nan 0.000 0.418 341 L N 1.093 122.232 121.223 -0.140 0.000 2.191 341 L HA -0.077 4.314 4.340 0.086 0.000 0.212 341 L C 2.255 178.987 176.870 -0.230 0.000 1.103 341 L CA 1.882 56.614 54.840 -0.178 0.000 0.769 341 L CB -1.037 40.910 42.059 -0.187 0.000 0.908 341 L HN 0.175 nan 8.230 nan 0.000 0.438 342 G N -1.067 107.589 108.800 -0.240 0.000 2.421 342 G HA2 -0.247 3.765 3.960 0.086 0.000 0.216 342 G HA3 -0.247 3.765 3.960 0.086 0.000 0.216 342 G C 1.605 176.402 174.900 -0.171 0.000 1.171 342 G CA 0.721 45.673 45.100 -0.246 0.000 0.775 342 G HN 0.592 nan 8.290 nan 0.000 0.543 343 A N 0.573 123.311 122.820 -0.137 0.000 1.902 343 A HA 0.044 4.416 4.320 0.086 0.000 0.217 343 A C 2.475 180.012 177.584 -0.079 0.000 1.181 343 A CA 1.825 53.805 52.037 -0.095 0.000 0.623 343 A CB -0.364 18.589 19.000 -0.079 0.000 0.818 343 A HN 0.383 nan 8.150 nan 0.000 0.443 344 M N -1.137 118.409 119.600 -0.091 0.000 2.065 344 M HA -0.155 4.377 4.480 0.086 0.000 0.259 344 M C 1.996 178.258 176.300 -0.063 0.000 1.069 344 M CA 1.349 56.606 55.300 -0.071 0.000 1.110 344 M CB -0.469 32.081 32.600 -0.085 0.000 1.328 344 M HN 0.323 nan 8.290 nan 0.000 0.405 345 L N -0.383 120.769 121.223 -0.118 0.000 2.027 345 L HA -0.140 4.252 4.340 0.086 0.000 0.206 345 L C 2.466 179.336 176.870 0.000 0.000 1.074 345 L CA 1.722 56.508 54.840 -0.090 0.000 0.745 345 L CB -0.894 41.038 42.059 -0.213 0.000 0.898 345 L HN 0.340 nan 8.230 nan 0.000 0.433 346 M N -1.248 118.332 119.600 -0.033 0.000 2.117 346 M HA -0.156 4.376 4.480 0.086 0.000 0.262 346 M C 2.187 178.522 176.300 0.060 0.000 1.065 346 M CA 1.658 56.962 55.300 0.008 0.000 1.114 346 M CB -1.425 31.146 32.600 -0.048 0.000 1.361 346 M HN 0.257 nan 8.290 nan 0.000 0.408 347 T N -0.209 114.359 114.554 0.024 0.000 2.777 347 T HA -0.155 4.247 4.350 0.086 0.000 0.266 347 T C 1.770 176.499 174.700 0.049 0.000 1.040 347 T CA 1.471 63.587 62.100 0.027 0.000 1.141 347 T CB -0.160 68.708 68.868 0.000 0.000 0.868 347 T HN 0.468 nan 8.240 nan 0.000 0.444 348 E N 0.181 120.420 120.200 0.065 0.000 2.077 348 E HA -0.251 4.151 4.350 0.086 0.000 0.193 348 E C 2.101 178.767 176.600 0.109 0.000 0.989 348 E CA 1.300 57.752 56.400 0.088 0.000 0.800 348 E CB -0.107 29.658 29.700 0.108 0.000 0.746 348 E HN 0.654 nan 8.360 nan 0.000 0.452 349 H N 0.563 119.680 119.070 0.078 0.000 2.321 349 H HA -0.072 4.533 4.556 0.082 0.000 0.300 349 H C 1.876 177.282 175.328 0.131 0.000 1.087 349 H CA 2.281 58.387 56.048 0.098 0.000 1.319 349 H CB -0.105 29.698 29.762 0.068 0.000 1.379 349 H HN 0.122 nan 8.280 nan 0.000 0.501 350 N N 0.304 118.980 118.700 -0.040 0.000 2.120 350 N HA -0.118 4.674 4.740 0.086 0.000 0.188 350 N C 2.120 177.632 175.510 0.004 0.000 1.024 350 N CA 1.506 54.567 53.050 0.018 0.000 0.852 350 N CB -0.222 38.366 38.487 0.169 0.000 1.003 350 N HN 0.462 nan 8.380 nan 0.000 0.424 351 I N 0.730 121.290 120.570 -0.016 0.000 2.315 351 I HA -0.191 4.031 4.170 0.086 0.000 0.248 351 I C 2.168 178.308 176.117 0.037 0.000 1.117 351 I CA 0.731 62.032 61.300 0.000 0.000 1.404 351 I CB -0.239 37.785 38.000 0.039 0.000 1.071 351 I HN 0.062 nan 8.210 nan 0.000 0.419 352 A N 0.691 123.516 122.820 0.008 0.000 1.933 352 A HA -0.258 4.114 4.320 0.086 0.000 0.218 352 A C 2.212 179.763 177.584 -0.055 0.000 1.175 352 A CA 1.352 53.385 52.037 -0.008 0.000 0.628 352 A CB -0.911 18.083 19.000 -0.009 0.000 0.814 352 A HN 0.443 nan 8.150 nan 0.000 0.444 353 F N -0.862 118.928 119.950 -0.266 0.000 2.102 353 F HA -0.180 4.396 4.527 0.082 0.000 0.298 353 F C 2.106 177.762 175.800 -0.241 0.000 1.105 353 F CA 1.749 59.562 58.000 -0.311 0.000 1.239 353 F CB -0.406 38.332 39.000 -0.436 0.000 0.991 353 F HN 0.290 nan 8.300 nan 0.000 0.474 354 Y N 0.774 120.890 120.300 -0.307 0.000 2.181 354 Y HA -0.251 4.351 4.550 0.086 0.000 0.288 354 Y C 2.613 178.300 175.900 -0.356 0.000 1.146 354 Y CA 1.786 59.585 58.100 -0.502 0.000 1.164 354 Y CB -0.770 37.222 38.460 -0.779 0.000 0.982 354 Y HN 0.131 nan 8.280 nan 0.000 0.515 355 Q N -0.037 119.746 119.800 -0.029 0.000 2.119 355 Q HA -0.198 4.193 4.340 0.086 0.000 0.201 355 Q C 2.159 178.138 176.000 -0.034 0.000 0.972 355 Q CA 1.371 57.188 55.803 0.024 0.000 0.847 355 Q CB -0.465 28.326 28.738 0.088 0.000 0.903 355 Q HN 0.614 nan 8.270 nan 0.000 0.433 356 Q N 0.150 119.900 119.800 -0.084 0.000 2.124 356 Q HA -0.143 4.249 4.340 0.086 0.000 0.202 356 Q C 2.101 178.087 176.000 -0.024 0.000 0.977 356 Q CA 0.937 56.732 55.803 -0.014 0.000 0.850 356 Q CB -0.143 28.607 28.738 0.019 0.000 0.901 356 Q HN 0.198 nan 8.270 nan 0.000 0.429 357 L N 0.009 121.113 121.223 -0.199 0.000 2.046 357 L HA -0.189 4.203 4.340 0.086 0.000 0.208 357 L C 1.959 178.728 176.870 -0.169 0.000 1.077 357 L CA 1.705 56.448 54.840 -0.163 0.000 0.747 357 L CB -0.313 41.411 42.059 -0.558 0.000 0.896 357 L HN 0.219 nan 8.230 nan 0.000 0.432 358 M N -0.976 118.527 119.600 -0.163 0.000 2.159 358 M HA -0.166 4.365 4.480 0.086 0.000 0.263 358 M C 2.319 178.562 176.300 -0.094 0.000 1.063 358 M CA 1.527 56.769 55.300 -0.096 0.000 1.110 358 M CB -1.452 31.152 32.600 0.008 0.000 1.374 358 M HN 0.404 nan 8.290 nan 0.000 0.411 359 Q N 1.010 120.766 119.800 -0.073 0.000 2.079 359 Q HA -0.096 4.296 4.340 0.086 0.000 0.200 359 Q C 1.874 177.776 176.000 -0.163 0.000 0.974 359 Q CA 1.787 57.546 55.803 -0.073 0.000 0.840 359 Q CB -0.109 28.621 28.738 -0.013 0.000 0.898 359 Q HN 0.462 nan 8.270 nan 0.000 0.430 360 K N -0.341 119.917 120.400 -0.236 0.000 2.097 360 K HA -0.072 4.299 4.320 0.086 0.000 0.206 360 K C 2.070 178.252 176.600 -0.698 0.000 1.049 360 K CA 1.326 57.321 56.287 -0.487 0.000 0.933 360 K CB -0.136 32.007 32.500 -0.594 0.000 0.717 360 K HN 0.275 nan 8.250 nan 0.000 0.442 361 I N 0.758 121.029 120.570 -0.499 0.000 2.202 361 I HA -0.275 3.947 4.170 0.086 0.000 0.242 361 I C 2.425 178.360 176.117 -0.303 0.000 1.091 361 I CA 1.236 62.325 61.300 -0.351 0.000 1.368 361 I CB -0.196 37.690 38.000 -0.190 0.000 1.058 361 I HN 0.135 nan 8.210 nan 0.000 0.410 362 R N 0.643 121.010 120.500 -0.221 0.000 2.083 362 R HA -0.180 4.212 4.340 0.086 0.000 0.237 362 R C 1.918 178.129 176.300 -0.149 0.000 1.137 362 R CA 1.729 57.732 56.100 -0.162 0.000 0.951 362 R CB -0.453 29.789 30.300 -0.097 0.000 0.851 362 R HN 0.389 nan 8.270 nan 0.000 0.434 363 D N 0.159 120.463 120.400 -0.160 0.000 2.117 363 D HA -0.118 4.574 4.640 0.086 0.000 0.198 363 D C 2.076 178.308 176.300 -0.113 0.000 0.982 363 D CA 1.789 55.713 54.000 -0.127 0.000 0.828 363 D CB -0.244 40.477 40.800 -0.130 0.000 0.967 363 D HN 0.224 nan 8.370 nan 0.000 0.464 364 S N 0.443 116.052 115.700 -0.152 0.000 2.383 364 S HA -0.100 4.422 4.470 0.086 0.000 0.227 364 S C 2.271 176.895 174.600 0.040 0.000 1.026 364 S CA 0.504 58.682 58.200 -0.037 0.000 0.981 364 S CB -0.615 62.586 63.200 0.002 0.000 0.818 364 S HN 0.236 nan 8.310 nan 0.000 0.472 365 I N 1.947 122.497 120.570 -0.032 0.000 2.252 365 I HA -0.136 4.086 4.170 0.086 0.000 0.245 365 I C 2.633 178.732 176.117 -0.029 0.000 1.102 365 I CA 1.263 62.538 61.300 -0.042 0.000 1.385 365 I CB -0.569 37.310 38.000 -0.202 0.000 1.064 365 I HN 0.303 nan 8.210 nan 0.000 0.414 366 S N 0.153 115.821 115.700 -0.053 0.000 2.419 366 S HA -0.185 4.337 4.470 0.086 0.000 0.235 366 S C 1.585 176.172 174.600 -0.022 0.000 1.019 366 S CA 1.254 59.428 58.200 -0.042 0.000 0.982 366 S CB -0.278 62.891 63.200 -0.052 0.000 0.789 366 S HN 0.488 nan 8.310 nan 0.000 0.490 367 E N -0.104 120.089 120.200 -0.012 0.000 2.476 367 E HA 0.263 4.665 4.350 0.086 0.000 0.196 367 E C 0.939 177.553 176.600 0.022 0.000 1.029 367 E CA 0.060 56.461 56.400 0.001 0.000 0.896 367 E CB 0.315 30.012 29.700 -0.004 0.000 1.012 367 E HN 0.465 nan 8.360 nan 0.000 0.475 368 G N 2.992 111.814 108.800 0.038 0.000 2.249 368 G HA2 -0.344 3.667 3.960 0.086 0.000 0.273 368 G HA3 -0.344 3.667 3.960 0.086 0.000 0.273 368 G C 0.525 175.472 174.900 0.080 0.000 1.036 368 G CA 0.779 45.915 45.100 0.059 0.000 0.824 368 G HN 0.420 nan 8.290 nan 0.000 0.504 369 R N -1.527 119.036 120.500 0.106 0.000 2.642 369 R HA 0.450 4.841 4.340 0.086 0.000 0.435 369 R C 1.253 177.664 176.300 0.186 0.000 1.046 369 R CA -0.210 55.957 56.100 0.112 0.000 1.103 369 R CB -0.169 30.180 30.300 0.081 0.000 1.425 369 R HN 0.243 nan 8.270 nan 0.000 0.586 370 F N 1.596 121.586 119.950 0.067 0.000 2.146 370 F HA -0.015 4.563 4.527 0.086 0.000 0.298 370 F C 2.225 178.115 175.800 0.150 0.000 1.096 370 F CA 1.553 59.623 58.000 0.116 0.000 1.275 370 F CB -0.108 38.931 39.000 0.066 0.000 1.008 370 F HN 0.160 nan 8.300 nan 0.000 0.480 371 S N -0.303 115.327 115.700 -0.118 0.000 2.370 371 S HA -0.289 4.233 4.470 0.086 0.000 0.226 371 S C 2.087 176.584 174.600 -0.172 0.000 1.033 371 S CA 1.665 59.727 58.200 -0.231 0.000 1.011 371 S CB -0.498 62.663 63.200 -0.065 0.000 0.852 371 S HN 0.592 nan 8.310 nan 0.000 0.457 372 Q N 0.166 119.936 119.800 -0.050 0.000 2.079 372 Q HA -0.037 4.354 4.340 0.086 0.000 0.200 372 Q C 1.726 177.718 176.000 -0.014 0.000 0.974 372 Q CA 1.795 57.588 55.803 -0.018 0.000 0.840 372 Q CB -0.792 27.963 28.738 0.029 0.000 0.898 372 Q HN 0.637 nan 8.270 nan 0.000 0.430 373 F N 0.423 120.314 119.950 -0.097 0.000 2.126 373 F HA -0.115 4.464 4.527 0.086 0.000 0.299 373 F C 1.883 177.641 175.800 -0.071 0.000 1.096 373 F CA 1.692 59.657 58.000 -0.059 0.000 1.255 373 F CB -0.796 38.205 39.000 0.001 0.000 0.997 373 F HN 0.133 nan 8.300 nan 0.000 0.479 374 A N 0.055 122.630 122.820 -0.408 0.000 1.908 374 A HA -0.280 4.092 4.320 0.086 0.000 0.218 374 A C 2.296 179.758 177.584 -0.202 0.000 1.181 374 A CA 1.874 53.663 52.037 -0.413 0.000 0.627 374 A CB -1.143 17.550 19.000 -0.512 0.000 0.818 374 A HN 0.639 nan 8.150 nan 0.000 0.445 375 Q N -0.525 119.176 119.800 -0.165 0.000 2.050 375 Q HA -0.231 4.161 4.340 0.086 0.000 0.202 375 Q C 1.338 177.294 176.000 -0.073 0.000 0.980 375 Q CA 1.874 57.631 55.803 -0.077 0.000 0.840 375 Q CB -0.192 28.510 28.738 -0.060 0.000 0.898 375 Q HN 0.615 nan 8.270 nan 0.000 0.424 376 D N -0.068 120.264 120.400 -0.113 0.000 2.144 376 D HA -0.156 4.536 4.640 0.086 0.000 0.199 376 D C 1.594 177.814 176.300 -0.134 0.000 0.984 376 D CA 0.842 54.782 54.000 -0.101 0.000 0.834 376 D CB -0.394 40.357 40.800 -0.083 0.000 0.955 376 D HN 0.278 nan 8.370 nan 0.000 0.465 377 F N 2.229 121.931 119.950 -0.414 0.000 2.075 377 F HA -0.153 4.425 4.527 0.085 0.000 0.297 377 F C 2.310 178.040 175.800 -0.117 0.000 1.113 377 F CA 1.504 59.286 58.000 -0.364 0.000 1.218 377 F CB -0.083 38.513 39.000 -0.674 0.000 0.984 377 F HN -0.223 nan 8.300 nan 0.000 0.472 378 R N 0.365 120.778 120.500 -0.145 0.000 2.081 378 R HA -0.137 4.255 4.340 0.086 0.000 0.235 378 R C 2.465 178.788 176.300 0.038 0.000 1.131 378 R CA 1.228 57.322 56.100 -0.010 0.000 0.960 378 R CB -1.013 29.442 30.300 0.259 0.000 0.856 378 R HN 0.440 nan 8.270 nan 0.000 0.436 379 A N 1.103 123.923 122.820 -0.001 0.000 1.908 379 A HA -0.177 4.195 4.320 0.086 0.000 0.218 379 A C 2.164 179.742 177.584 -0.011 0.000 1.181 379 A CA 1.233 53.281 52.037 0.019 0.000 0.627 379 A CB -0.370 18.630 19.000 -0.001 0.000 0.818 379 A HN 0.148 nan 8.150 nan 0.000 0.445 380 R N -2.613 117.842 120.500 -0.076 0.000 2.112 380 R HA -0.020 4.372 4.340 0.086 0.000 0.216 380 R C 1.991 178.218 176.300 -0.122 0.000 1.080 380 R CA 1.057 57.121 56.100 -0.060 0.000 0.996 380 R CB -0.342 29.949 30.300 -0.015 0.000 0.902 380 R HN 0.628 nan 8.270 nan 0.000 0.449 381 Y N 0.028 120.034 120.300 -0.491 0.000 2.274 381 Y HA -0.108 4.493 4.550 0.085 0.000 0.290 381 Y C 0.086 175.602 175.900 -0.639 0.000 1.145 381 Y CA 1.192 58.861 58.100 -0.718 0.000 1.203 381 Y CB 0.110 37.708 38.460 -1.436 0.000 0.984 381 Y HN -0.155 nan 8.280 nan 0.000 0.533 382 F N 0.000 119.910 119.950 -0.066 0.000 2.286 382 F HA 0.000 4.580 4.527 0.088 0.000 0.279 382 F CA 0.000 57.962 58.000 -0.063 0.000 1.383 382 F CB 0.000 39.003 39.000 0.005 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574