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 1q63_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSXXTKQSEE GVTFKSHXXX XRHMLSPERS 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 0.000 176.310 176.300 0.017 0.000 0.893 11 R CA 0.000 56.101 56.100 0.002 0.000 0.921 11 R CB 0.000 30.299 30.300 -0.003 0.000 0.687 12 P HA 0.203 nan 4.420 nan 0.000 0.279 12 P C -0.290 177.060 177.300 0.084 0.000 1.276 12 P CA -0.518 62.613 63.100 0.052 0.000 0.801 12 P CB 1.031 32.762 31.700 0.051 0.000 1.127 13 R N -0.340 120.234 120.500 0.123 0.000 2.081 13 R HA -0.042 4.350 4.340 0.087 0.000 0.235 13 R C -0.280 176.196 176.300 0.293 0.000 1.131 13 R CA 1.158 57.364 56.100 0.178 0.000 0.960 13 R CB -0.109 30.300 30.300 0.182 0.000 0.856 13 R HN 0.523 nan 8.270 nan 0.000 0.436 14 F N -0.673 119.334 119.950 0.096 0.000 2.639 14 F HA 0.298 4.877 4.527 0.086 0.000 0.326 14 F C -1.663 174.206 175.800 0.114 0.000 1.150 14 F CA -0.574 57.496 58.000 0.117 0.000 1.057 14 F CB 2.042 41.128 39.000 0.143 0.000 1.300 14 F HN -0.161 nan 8.300 nan 0.000 0.486 15 S N 6.625 122.099 115.700 -0.377 0.000 2.680 15 S HA 0.478 5.000 4.470 0.087 0.000 0.262 15 S C -1.968 172.464 174.600 -0.280 0.000 1.138 15 S CA -0.359 57.724 58.200 -0.195 0.000 1.072 15 S CB 0.345 63.503 63.200 -0.071 0.000 1.097 15 S HN 0.563 nan 8.310 nan 0.000 0.468 16 F N 4.739 124.471 119.950 -0.363 0.000 2.404 16 F HA 0.745 5.323 4.527 0.086 0.000 0.354 16 F C -0.085 175.643 175.800 -0.119 0.000 1.122 16 F CA -0.507 57.339 58.000 -0.257 0.000 1.080 16 F CB 1.526 40.445 39.000 -0.135 0.000 1.131 16 F HN 0.448 nan 8.300 nan 0.000 0.471 17 S N 6.985 122.349 115.700 -0.560 0.000 2.532 17 S HA 0.649 5.171 4.470 0.087 0.000 0.299 17 S C -0.781 173.399 174.600 -0.701 0.000 1.105 17 S CA -0.688 57.191 58.200 -0.535 0.000 1.018 17 S CB 0.620 63.665 63.200 -0.259 0.000 1.021 17 S HN 0.556 nan 8.310 nan 0.000 0.483 18 I N 4.701 124.899 120.570 -0.620 0.000 2.304 18 I HA 0.344 4.566 4.170 0.087 0.000 0.291 18 I C 1.099 177.071 176.117 -0.241 0.000 1.018 18 I CA -0.471 60.560 61.300 -0.448 0.000 1.260 18 I CB 1.473 39.253 38.000 -0.366 0.000 1.390 18 I HN 0.840 nan 8.210 nan 0.000 0.475 19 A N 5.426 128.138 122.820 -0.181 0.000 1.984 19 A HA 0.610 4.982 4.320 0.087 0.000 0.214 19 A C 0.973 178.503 177.584 -0.091 0.000 1.173 19 A CA 0.825 52.789 52.037 -0.121 0.000 0.673 19 A CB 0.193 19.132 19.000 -0.101 0.000 0.830 19 A HN 0.725 nan 8.150 nan 0.000 0.453 20 A N -0.900 121.868 122.820 -0.087 0.000 2.606 20 A HA 0.763 5.135 4.320 0.087 0.000 0.293 20 A C -0.743 176.808 177.584 -0.055 0.000 1.082 20 A CA -0.817 51.182 52.037 -0.062 0.000 0.685 20 A CB 1.118 20.085 19.000 -0.054 0.000 1.284 20 A HN 0.323 nan 8.150 nan 0.000 0.408 21 R N 0.161 120.642 120.500 -0.032 0.000 2.774 21 R HA 0.737 5.130 4.340 0.087 0.000 0.272 21 R C -1.387 174.921 176.300 0.014 0.000 1.000 21 R CA -0.762 55.330 56.100 -0.014 0.000 0.906 21 R CB 2.482 32.778 30.300 -0.006 0.000 1.227 21 R HN 0.757 nan 8.270 nan 0.000 0.468 22 E N 0.763 120.988 120.200 0.041 0.000 2.334 22 E HA 0.317 4.719 4.350 0.087 0.000 0.280 22 E C -0.045 176.619 176.600 0.107 0.000 0.899 22 E CA 0.203 56.653 56.400 0.084 0.000 0.813 22 E CB 1.295 31.079 29.700 0.140 0.000 1.318 22 E HN 0.806 nan 8.360 nan 0.000 0.399 23 G N 4.539 113.387 108.800 0.080 0.000 2.583 23 G HA2 -0.393 3.619 3.960 0.087 0.000 0.292 23 G HA3 -0.393 3.619 3.960 0.087 0.000 0.292 23 G C 0.626 175.571 174.900 0.074 0.000 1.203 23 G CA 0.546 45.693 45.100 0.077 0.000 0.987 23 G HN 0.575 nan 8.290 nan 0.000 0.554 24 K N 1.367 121.818 120.400 0.085 0.000 2.400 24 K HA 0.488 4.860 4.320 0.087 0.000 0.194 24 K C 1.398 178.051 176.600 0.087 0.000 1.033 24 K CA 0.542 56.878 56.287 0.081 0.000 1.021 24 K CB 0.217 32.760 32.500 0.071 0.000 0.808 24 K HN 0.767 nan 8.250 nan 0.000 0.505 25 A N 1.924 124.799 122.820 0.091 0.000 2.407 25 A HA 0.366 4.738 4.320 0.087 0.000 0.248 25 A C -0.341 177.231 177.584 -0.021 0.000 1.082 25 A CA -0.128 51.918 52.037 0.016 0.000 0.785 25 A CB 0.300 19.256 19.000 -0.072 0.000 1.020 25 A HN 0.164 nan 8.150 nan 0.000 0.489 26 R N -0.036 120.439 120.500 -0.041 0.000 2.771 26 R HA 0.759 5.151 4.340 0.087 0.000 0.274 26 R C -0.733 175.536 176.300 -0.051 0.000 0.987 26 R CA -0.440 55.642 56.100 -0.030 0.000 0.908 26 R CB 2.064 32.382 30.300 0.029 0.000 1.213 26 R HN 0.653 nan 8.270 nan 0.000 0.468 27 T N -0.116 114.402 114.554 -0.061 0.000 2.916 27 T HA 0.806 5.208 4.350 0.087 0.000 0.298 27 T C -0.638 174.025 174.700 -0.062 0.000 1.031 27 T CA 0.027 62.094 62.100 -0.056 0.000 0.993 27 T CB 1.397 70.207 68.868 -0.096 0.000 1.045 27 T HN 0.769 nan 8.240 nan 0.000 0.454 28 G N 1.988 110.772 108.800 -0.026 0.000 2.529 28 G HA2 0.651 4.663 3.960 0.087 0.000 0.238 28 G HA3 0.651 4.663 3.960 0.087 0.000 0.238 28 G C -0.821 174.076 174.900 -0.005 0.000 1.207 28 G CA 0.095 45.147 45.100 -0.080 0.000 0.928 28 G HN 1.172 nan 8.290 nan 0.000 0.495 29 T N -1.848 112.693 114.554 -0.022 0.000 2.900 29 T HA 0.719 5.121 4.350 0.087 0.000 0.303 29 T C -1.118 173.639 174.700 0.096 0.000 1.142 29 T CA -0.566 61.555 62.100 0.035 0.000 1.007 29 T CB 1.929 70.782 68.868 -0.025 0.000 1.156 29 T HN 0.613 nan 8.240 nan 0.000 0.490 30 I N 1.679 122.288 120.570 0.065 0.000 2.382 30 I HA 0.352 4.574 4.170 0.087 0.000 0.286 30 I C -0.038 176.018 176.117 -0.101 0.000 1.002 30 I CA -0.683 60.586 61.300 -0.052 0.000 1.135 30 I CB 1.706 39.664 38.000 -0.070 0.000 1.288 30 I HN 0.675 nan 8.210 nan 0.000 0.448 31 E N 7.485 127.592 120.200 -0.154 0.000 2.174 31 E HA 0.579 4.981 4.350 0.087 0.000 0.282 31 E C -0.741 175.817 176.600 -0.069 0.000 0.992 31 E CA -0.348 56.000 56.400 -0.087 0.000 0.803 31 E CB 1.721 31.380 29.700 -0.068 0.000 1.090 31 E HN 0.469 nan 8.360 nan 0.000 0.396 32 M N 1.580 121.178 119.600 -0.002 0.000 2.719 32 M HA 0.310 4.842 4.480 0.087 0.000 0.291 32 M C 0.804 177.128 176.300 0.040 0.000 1.264 32 M CA -0.850 54.486 55.300 0.060 0.000 0.811 32 M CB 1.690 34.355 32.600 0.108 0.000 1.756 32 M HN 0.253 nan 8.290 nan 0.000 0.464 33 K N 0.305 120.736 120.400 0.051 0.000 2.097 33 K HA -0.071 4.301 4.320 0.087 0.000 0.206 33 K C 1.450 178.042 176.600 -0.013 0.000 1.049 33 K CA 1.451 57.749 56.287 0.018 0.000 0.933 33 K CB -0.000 32.511 32.500 0.019 0.000 0.717 33 K HN 0.452 nan 8.250 nan 0.000 0.442 34 R N 0.125 120.616 120.500 -0.015 0.000 2.310 34 R HA 0.077 4.469 4.340 0.087 0.000 0.202 34 R C 0.433 176.706 176.300 -0.045 0.000 0.933 34 R CA 0.214 56.283 56.100 -0.052 0.000 1.054 34 R CB 0.682 30.936 30.300 -0.075 0.000 0.985 34 R HN 0.236 nan 8.270 nan 0.000 0.489 35 G N -0.659 108.130 108.800 -0.019 0.000 2.368 35 G HA2 0.033 4.045 3.960 0.087 0.000 0.302 35 G HA3 0.033 4.045 3.960 0.087 0.000 0.302 35 G C -1.591 173.307 174.900 -0.003 0.000 1.329 35 G CA -1.030 44.056 45.100 -0.023 0.000 0.935 35 G HN -0.090 nan 8.290 nan 0.000 0.590 36 V N 0.451 120.361 119.914 -0.007 0.000 2.472 36 V HA 0.646 4.818 4.120 0.087 0.000 0.290 36 V C 0.242 176.348 176.094 0.019 0.000 1.037 36 V CA -0.527 61.772 62.300 -0.002 0.000 0.908 36 V CB 1.432 33.248 31.823 -0.012 0.000 0.985 36 V HN 0.607 nan 8.190 nan 0.000 0.454 37 I N 4.800 125.385 120.570 0.025 0.000 2.362 37 I HA 0.483 4.705 4.170 0.087 0.000 0.289 37 I C 0.218 176.364 176.117 0.047 0.000 0.994 37 I CA -0.487 60.840 61.300 0.044 0.000 1.158 37 I CB 1.380 39.407 38.000 0.045 0.000 1.315 37 I HN 0.490 nan 8.210 nan 0.000 0.451 38 R N 3.946 124.475 120.500 0.049 0.000 2.308 38 R HA 0.446 4.838 4.340 0.087 0.000 0.305 38 R C -0.133 176.205 176.300 0.065 0.000 1.053 38 R CA -0.361 55.766 56.100 0.044 0.000 0.957 38 R CB 1.137 31.454 30.300 0.027 0.000 1.022 38 R HN 0.662 nan 8.270 nan 0.000 0.461 39 T N 0.464 115.065 114.554 0.078 0.000 2.885 39 T HA 0.465 4.867 4.350 0.087 0.000 0.285 39 T C -2.631 172.103 174.700 0.057 0.000 1.019 39 T CA -2.878 59.281 62.100 0.098 0.000 1.010 39 T CB 2.161 71.126 68.868 0.162 0.000 1.022 39 T HN 0.185 nan 8.240 nan 0.000 0.466 40 P HA 0.415 nan 4.420 nan 0.000 0.268 40 P C -0.998 176.402 177.300 0.167 0.000 1.204 40 P CA -0.112 63.073 63.100 0.142 0.000 0.768 40 P CB 0.386 32.189 31.700 0.172 0.000 0.842 41 A N 3.351 126.304 122.820 0.221 0.000 2.374 41 A HA 0.715 5.087 4.320 0.087 0.000 0.317 41 A C -1.486 176.300 177.584 0.335 0.000 1.094 41 A CA -0.485 51.676 52.037 0.207 0.000 0.765 41 A CB 0.722 19.784 19.000 0.103 0.000 1.268 41 A HN 0.461 nan 8.150 nan 0.000 0.438 42 F N 1.893 121.934 119.950 0.152 0.000 2.467 42 F HA 0.692 5.268 4.527 0.082 0.000 0.336 42 F C -0.422 175.431 175.800 0.089 0.000 1.123 42 F CA -0.930 57.172 58.000 0.170 0.000 0.964 42 F CB 1.578 40.671 39.000 0.156 0.000 1.136 42 F HN 0.477 nan 8.300 nan 0.000 0.447 43 M N 8.403 127.502 119.600 -0.835 0.000 2.066 43 M HA 0.360 4.892 4.480 0.087 0.000 0.340 43 M C -2.491 173.307 176.300 -0.837 0.000 1.053 43 M CA -1.797 53.126 55.300 -0.630 0.000 0.983 43 M CB 1.338 33.685 32.600 -0.421 0.000 1.520 43 M HN 0.331 nan 8.290 nan 0.000 0.428 44 P HA 0.086 nan 4.420 nan 0.000 0.269 44 P C -0.784 176.343 177.300 -0.288 0.000 1.209 44 P CA -0.264 62.662 63.100 -0.289 0.000 0.776 44 P CB 0.626 32.233 31.700 -0.155 0.000 0.876 45 V N 3.295 123.095 119.914 -0.190 0.000 2.407 45 V HA 0.493 4.665 4.120 0.087 0.000 0.278 45 V C 0.970 176.981 176.094 -0.138 0.000 1.037 45 V CA -0.121 62.089 62.300 -0.150 0.000 0.900 45 V CB 1.033 32.808 31.823 -0.080 0.000 0.983 45 V HN 0.705 nan 8.190 nan 0.000 0.459 46 G N 2.781 111.489 108.800 -0.153 0.000 2.468 46 G HA2 0.495 4.507 3.960 0.087 0.000 0.320 46 G HA3 0.495 4.507 3.960 0.087 0.000 0.320 46 G C -0.142 174.700 174.900 -0.096 0.000 1.137 46 G CA -0.261 44.755 45.100 -0.140 0.000 0.984 46 G HN 0.600 nan 8.290 nan 0.000 0.462 47 T N 1.485 115.977 114.554 -0.103 0.000 2.744 47 T HA 0.487 4.889 4.350 0.087 0.000 0.291 47 T C 0.816 175.443 174.700 -0.122 0.000 0.957 47 T CA 0.916 62.929 62.100 -0.146 0.000 1.002 47 T CB 1.301 70.028 68.868 -0.234 0.000 0.919 47 T HN 1.734 nan 8.240 nan 0.000 0.468 48 A N 3.148 125.928 122.820 -0.066 0.000 2.971 48 A HA 0.152 4.524 4.320 0.087 0.000 0.280 48 A C 1.238 178.843 177.584 0.034 0.000 1.430 48 A CA 0.620 52.660 52.037 0.004 0.000 0.749 48 A CB -2.309 16.677 19.000 -0.022 0.000 1.038 48 A HN 2.524 nan 8.150 nan 0.000 0.510 49 A N -2.679 120.165 122.820 0.040 0.000 2.872 49 A HA 0.272 4.644 4.320 0.087 0.000 0.273 49 A C 1.322 178.893 177.584 -0.022 0.000 1.442 49 A CA 2.446 54.517 52.037 0.057 0.000 0.801 49 A CB -2.278 16.860 19.000 0.230 0.000 1.031 49 A HN 3.229 nan 8.150 nan 0.000 0.582 50 T N -1.654 112.865 114.554 -0.059 0.000 3.159 50 T HA 0.471 4.873 4.350 0.087 0.000 0.343 50 T C -0.731 173.911 174.700 -0.097 0.000 1.364 50 T CA 0.290 62.343 62.100 -0.079 0.000 1.102 50 T CB 1.313 70.141 68.868 -0.068 0.000 1.263 50 T HN 1.186 nan 8.240 nan 0.000 0.477 51 V N 6.286 126.133 119.914 -0.112 0.000 2.372 51 V HA 0.308 4.480 4.120 0.087 0.000 0.261 51 V C 0.818 176.869 176.094 -0.072 0.000 1.055 51 V CA -0.535 61.697 62.300 -0.112 0.000 0.930 51 V CB 0.342 32.082 31.823 -0.138 0.000 1.031 51 V HN 0.826 nan 8.190 nan 0.000 0.479 52 K N 4.554 124.916 120.400 -0.065 0.000 2.476 52 K HA 0.053 4.425 4.320 0.087 0.000 0.273 52 K C 1.170 177.746 176.600 -0.039 0.000 1.056 52 K CA 0.879 57.136 56.287 -0.050 0.000 1.150 52 K CB -0.053 32.419 32.500 -0.048 0.000 0.838 52 K HN 1.118 nan 8.250 nan 0.000 0.486 53 A N 2.351 125.149 122.820 -0.037 0.000 3.021 53 A HA -0.198 4.174 4.320 0.087 0.000 0.257 53 A C -0.188 177.384 177.584 -0.019 0.000 1.277 53 A CA 0.840 52.858 52.037 -0.032 0.000 1.012 53 A CB -1.996 16.982 19.000 -0.036 0.000 1.147 53 A HN 0.562 nan 8.150 nan 0.000 0.861 54 L N -0.932 120.281 121.223 -0.016 0.000 2.408 54 L HA 0.475 4.867 4.340 0.087 0.000 0.268 54 L C 0.320 177.196 176.870 0.011 0.000 0.986 54 L CA -0.872 53.971 54.840 0.004 0.000 0.820 54 L CB 1.963 44.029 42.059 0.011 0.000 1.303 54 L HN 0.240 nan 8.230 nan 0.000 0.411 55 K N 2.389 122.809 120.400 0.033 0.000 2.202 55 K HA 0.203 4.575 4.320 0.087 0.000 0.264 55 K C -1.664 174.990 176.600 0.089 0.000 1.010 55 K CA -1.470 54.846 56.287 0.047 0.000 0.940 55 K CB 1.089 33.620 32.500 0.052 0.000 0.983 55 K HN 0.227 nan 8.250 nan 0.000 0.475 56 P HA -0.258 nan 4.420 nan 0.000 0.216 56 P C 0.738 178.217 177.300 0.299 0.000 1.150 56 P CA 1.400 64.665 63.100 0.275 0.000 0.843 56 P CB 0.113 32.008 31.700 0.325 0.000 0.787 57 E N -1.184 119.121 120.200 0.175 0.000 2.153 57 E HA -0.140 4.262 4.350 0.087 0.000 0.194 57 E C 1.316 178.001 176.600 0.143 0.000 0.988 57 E CA 1.495 57.975 56.400 0.134 0.000 0.811 57 E CB -1.454 28.296 29.700 0.083 0.000 0.746 57 E HN 0.167 nan 8.360 nan 0.000 0.466 58 T N 1.156 115.791 114.554 0.134 0.000 2.857 58 T HA -0.056 4.346 4.350 0.087 0.000 0.266 58 T C 2.108 176.895 174.700 0.145 0.000 1.048 58 T CA 1.093 63.268 62.100 0.125 0.000 1.139 58 T CB -0.146 68.782 68.868 0.100 0.000 0.874 58 T HN 0.026 nan 8.240 nan 0.000 0.455 59 V N 1.921 121.933 119.914 0.164 0.000 2.332 59 V HA -0.179 3.993 4.120 0.087 0.000 0.248 59 V C 2.677 178.933 176.094 0.269 0.000 1.055 59 V CA 1.723 64.121 62.300 0.162 0.000 1.038 59 V CB -0.562 31.303 31.823 0.069 0.000 0.651 59 V HN 0.261 nan 8.190 nan 0.000 0.450 60 R N 1.200 121.928 120.500 0.381 0.000 2.075 60 R HA -0.039 4.353 4.340 0.087 0.000 0.232 60 R C 2.124 178.530 176.300 0.175 0.000 1.126 60 R CA 1.854 58.138 56.100 0.306 0.000 0.963 60 R CB -1.064 29.334 30.300 0.163 0.000 0.858 60 R HN 0.424 nan 8.270 nan 0.000 0.435 61 A N -0.334 122.575 122.820 0.147 0.000 1.978 61 A HA -0.164 4.208 4.320 0.087 0.000 0.220 61 A C 2.109 179.765 177.584 0.121 0.000 1.170 61 A CA 2.080 54.186 52.037 0.116 0.000 0.636 61 A CB -1.200 17.866 19.000 0.111 0.000 0.810 61 A HN 0.643 nan 8.150 nan 0.000 0.448 62 T N -4.456 110.180 114.554 0.137 0.000 3.035 62 T HA 0.328 4.730 4.350 0.087 0.000 0.268 62 T C 1.425 176.200 174.700 0.126 0.000 1.109 62 T CA 1.401 63.580 62.100 0.132 0.000 1.119 62 T CB -0.044 68.904 68.868 0.132 0.000 0.900 62 T HN 1.668 nan 8.240 nan 0.000 0.503 63 G N 0.666 109.546 108.800 0.133 0.000 2.192 63 G HA2 0.108 4.120 3.960 0.087 0.000 0.193 63 G HA3 0.108 4.120 3.960 0.087 0.000 0.193 63 G C 0.242 175.232 174.900 0.150 0.000 0.999 63 G CA -0.187 44.985 45.100 0.119 0.000 0.659 63 G HN 1.072 nan 8.290 nan 0.000 0.503 64 A N 0.432 123.371 122.820 0.198 0.000 2.520 64 A HA 0.528 4.900 4.320 0.087 0.000 0.245 64 A C 1.017 178.783 177.584 0.304 0.000 1.072 64 A CA 0.980 53.155 52.037 0.229 0.000 0.761 64 A CB 0.290 19.407 19.000 0.194 0.000 1.004 64 A HN 0.172 nan 8.150 nan 0.000 0.499 65 D N 0.621 121.165 120.400 0.239 0.000 2.388 65 D HA 0.207 4.899 4.640 0.087 0.000 0.208 65 D C 0.245 176.749 176.300 0.341 0.000 1.035 65 D CA 0.842 54.978 54.000 0.227 0.000 0.875 65 D CB 0.469 41.344 40.800 0.125 0.000 0.984 65 D HN 0.588 nan 8.370 nan 0.000 0.508 66 I N 0.462 121.216 120.570 0.306 0.000 2.908 66 I HA 0.298 4.520 4.170 0.087 0.000 0.300 66 I C -1.751 174.340 176.117 -0.043 0.000 1.385 66 I CA -0.977 60.475 61.300 0.253 0.000 1.004 66 I CB 2.337 40.392 38.000 0.092 0.000 1.309 66 I HN -0.227 nan 8.210 nan 0.000 0.449 67 I N 3.956 124.381 120.570 -0.241 0.000 2.957 67 I HA 0.574 4.796 4.170 0.087 0.000 0.310 67 I C -1.784 174.145 176.117 -0.313 0.000 1.063 67 I CA -0.960 60.075 61.300 -0.443 0.000 1.033 67 I CB 2.101 39.608 38.000 -0.822 0.000 1.230 67 I HN 0.620 nan 8.210 nan 0.000 0.447 68 L N 2.826 123.879 121.223 -0.284 0.000 2.295 68 L HA 0.776 5.168 4.340 0.087 0.000 0.285 68 L C 0.039 176.814 176.870 -0.158 0.000 1.035 68 L CA -0.244 54.480 54.840 -0.193 0.000 0.806 68 L CB 1.318 43.284 42.059 -0.154 0.000 1.214 68 L HN 0.915 nan 8.230 nan 0.000 0.426 69 G N 3.385 112.120 108.800 -0.108 0.000 2.335 69 G HA2 0.274 4.286 3.960 0.087 0.000 0.316 69 G HA3 0.274 4.286 3.960 0.087 0.000 0.316 69 G C -0.822 174.080 174.900 0.004 0.000 1.129 69 G CA -0.589 44.470 45.100 -0.069 0.000 0.899 69 G HN 0.802 nan 8.290 nan 0.000 0.448 70 N N 2.082 120.808 118.700 0.043 0.000 2.420 70 N HA 0.115 4.907 4.740 0.087 0.000 0.262 70 N C 1.106 176.708 175.510 0.153 0.000 1.144 70 N CA -0.275 52.861 53.050 0.144 0.000 0.952 70 N CB 1.246 39.875 38.487 0.236 0.000 1.081 70 N HN 0.412 nan 8.380 nan 0.000 0.480 71 T N 1.498 116.141 114.554 0.148 0.000 2.781 71 T HA -0.161 4.241 4.350 0.087 0.000 0.252 71 T C 1.631 176.403 174.700 0.119 0.000 1.039 71 T CA 0.681 62.852 62.100 0.117 0.000 1.147 71 T CB -0.483 68.455 68.868 0.116 0.000 0.865 71 T HN 0.578 nan 8.240 nan 0.000 0.423 72 Y N 2.297 122.603 120.300 0.009 0.000 2.096 72 Y HA -0.359 4.242 4.550 0.086 0.000 0.276 72 Y C 2.465 178.312 175.900 -0.089 0.000 1.209 72 Y CA 1.866 59.913 58.100 -0.089 0.000 1.137 72 Y CB -0.686 37.639 38.460 -0.224 0.000 0.956 72 Y HN 0.418 nan 8.280 nan 0.000 0.506 73 H N -0.422 118.627 119.070 -0.035 0.000 2.357 73 H HA -0.117 4.492 4.556 0.089 0.000 0.301 73 H C 2.441 177.706 175.328 -0.105 0.000 1.082 73 H CA 1.906 57.897 56.048 -0.096 0.000 1.342 73 H CB -0.441 29.353 29.762 0.052 0.000 1.389 73 H HN 0.395 nan 8.280 nan 0.000 0.511 74 L N 0.938 122.202 121.223 0.068 0.000 2.141 74 L HA -0.159 4.233 4.340 0.087 0.000 0.209 74 L C 2.812 179.647 176.870 -0.059 0.000 1.094 74 L CA 0.908 55.755 54.840 0.012 0.000 0.763 74 L CB -0.393 41.679 42.059 0.021 0.000 0.908 74 L HN 0.293 nan 8.230 nan 0.000 0.437 75 M N -1.512 118.034 119.600 -0.089 0.000 2.296 75 M HA -0.121 4.411 4.480 0.087 0.000 0.265 75 M C 1.864 178.046 176.300 -0.196 0.000 1.064 75 M CA 1.749 56.976 55.300 -0.121 0.000 1.109 75 M CB -0.292 32.252 32.600 -0.093 0.000 1.396 75 M HN 0.146 nan 8.290 nan 0.000 0.430 76 L N 0.785 121.864 121.223 -0.241 0.000 2.145 76 L HA 0.136 4.528 4.340 0.087 0.000 0.201 76 L C 1.115 177.911 176.870 -0.123 0.000 1.075 76 L CA 0.515 55.208 54.840 -0.246 0.000 0.773 76 L CB -0.035 41.844 42.059 -0.300 0.000 0.936 76 L HN 0.424 nan 8.230 nan 0.000 0.451 77 R N -0.494 119.957 120.500 -0.080 0.000 2.515 77 R HA 0.274 4.666 4.340 0.087 0.000 0.278 77 R C -2.625 173.677 176.300 0.004 0.000 1.107 77 R CA -1.344 54.738 56.100 -0.030 0.000 0.945 77 R CB 1.166 31.459 30.300 -0.012 0.000 1.219 77 R HN -0.280 nan 8.270 nan 0.000 0.434 78 P HA 0.059 nan 4.420 nan 0.000 0.241 78 P C 0.153 177.407 177.300 -0.077 0.000 1.191 78 P CA 0.984 64.066 63.100 -0.031 0.000 0.771 78 P CB 0.421 32.103 31.700 -0.031 0.000 0.929 79 G N -0.522 108.221 108.800 -0.094 0.000 2.885 79 G HA2 0.108 4.121 3.960 0.087 0.000 0.685 79 G HA3 0.108 4.121 3.960 0.087 0.000 0.685 79 G C 0.612 175.442 174.900 -0.118 0.000 1.216 79 G CA -0.391 44.651 45.100 -0.096 0.000 0.790 79 G HN 0.160 nan 8.290 nan 0.000 0.631 80 A N 1.048 123.812 122.820 -0.094 0.000 1.877 80 A HA 0.099 4.471 4.320 0.087 0.000 0.216 80 A C 2.118 179.641 177.584 -0.101 0.000 1.186 80 A CA 2.488 54.470 52.037 -0.092 0.000 0.620 80 A CB -0.435 18.531 19.000 -0.057 0.000 0.822 80 A HN 0.900 nan 8.150 nan 0.000 0.443 81 E N -0.534 119.620 120.200 -0.078 0.000 2.085 81 E HA -0.186 4.216 4.350 0.087 0.000 0.194 81 E C 2.152 178.695 176.600 -0.094 0.000 0.994 81 E CA 1.483 57.840 56.400 -0.071 0.000 0.801 81 E CB -0.267 29.404 29.700 -0.048 0.000 0.743 81 E HN 0.638 nan 8.360 nan 0.000 0.453 82 R N 0.419 120.853 120.500 -0.111 0.000 2.073 82 R HA -0.096 4.296 4.340 0.087 0.000 0.234 82 R C 2.234 178.407 176.300 -0.211 0.000 1.134 82 R CA 1.453 57.472 56.100 -0.135 0.000 0.952 82 R CB -0.359 29.862 30.300 -0.132 0.000 0.850 82 R HN 0.180 nan 8.270 nan 0.000 0.433 83 I N 0.882 121.275 120.570 -0.294 0.000 2.264 83 I HA -0.259 3.963 4.170 0.087 0.000 0.248 83 I C 2.558 178.536 176.117 -0.232 0.000 1.111 83 I CA 1.277 62.328 61.300 -0.415 0.000 1.382 83 I CB -0.423 37.323 38.000 -0.424 0.000 1.060 83 I HN 0.367 nan 8.210 nan 0.000 0.418 84 A N 0.649 123.371 122.820 -0.163 0.000 1.902 84 A HA -0.267 4.105 4.320 0.087 0.000 0.217 84 A C 2.388 179.919 177.584 -0.089 0.000 1.181 84 A CA 1.874 53.839 52.037 -0.120 0.000 0.623 84 A CB -0.528 18.402 19.000 -0.117 0.000 0.818 84 A HN 0.339 nan 8.150 nan 0.000 0.443 85 K N -0.318 120.031 120.400 -0.086 0.000 2.097 85 K HA -0.035 4.337 4.320 0.087 0.000 0.206 85 K C 1.450 178.024 176.600 -0.043 0.000 1.049 85 K CA 1.253 57.506 56.287 -0.056 0.000 0.933 85 K CB -0.268 32.200 32.500 -0.053 0.000 0.717 85 K HN 0.501 nan 8.250 nan 0.000 0.442 86 L N -0.639 120.546 121.223 -0.064 0.000 2.599 86 L HA 0.096 4.488 4.340 0.087 0.000 0.230 86 L C 1.110 177.994 176.870 0.023 0.000 1.141 86 L CA 0.588 55.419 54.840 -0.014 0.000 0.877 86 L CB 0.235 42.281 42.059 -0.022 0.000 1.009 86 L HN 0.601 nan 8.230 nan 0.000 0.447 87 G N -0.823 107.975 108.800 -0.004 0.000 2.192 87 G HA2 0.009 4.021 3.960 0.087 0.000 0.193 87 G HA3 0.009 4.021 3.960 0.087 0.000 0.193 87 G C 0.496 175.417 174.900 0.035 0.000 0.999 87 G CA -0.310 44.804 45.100 0.023 0.000 0.659 87 G HN 0.783 nan 8.290 nan 0.000 0.503 88 G N -1.628 107.175 108.800 0.005 0.000 2.619 88 G HA2 0.214 4.226 3.960 0.087 0.000 0.686 88 G HA3 0.214 4.226 3.960 0.087 0.000 0.686 88 G C 0.411 175.368 174.900 0.095 0.000 1.256 88 G CA -0.043 45.078 45.100 0.033 0.000 0.826 88 G HN 1.487 nan 8.290 nan 0.000 0.619 89 L N 0.507 121.779 121.223 0.082 0.000 2.046 89 L HA 0.073 4.465 4.340 0.087 0.000 0.208 89 L C 2.541 179.497 176.870 0.143 0.000 1.077 89 L CA 3.107 58.007 54.840 0.099 0.000 0.747 89 L CB -0.992 41.057 42.059 -0.017 0.000 0.896 89 L HN 0.766 nan 8.230 nan 0.000 0.432 90 H N -1.598 117.568 119.070 0.159 0.000 2.290 90 H HA -0.163 4.444 4.556 0.085 0.000 0.298 90 H C 2.561 177.983 175.328 0.158 0.000 1.087 90 H CA 2.099 58.253 56.048 0.177 0.000 1.291 90 H CB -0.554 29.283 29.762 0.124 0.000 1.369 90 H HN 0.417 nan 8.280 nan 0.000 0.492 91 S N -0.436 115.424 115.700 0.267 0.000 2.356 91 S HA -0.195 4.327 4.470 0.087 0.000 0.223 91 S C 2.050 176.775 174.600 0.209 0.000 1.032 91 S CA 1.094 59.407 58.200 0.189 0.000 1.005 91 S CB -0.532 62.757 63.200 0.149 0.000 0.867 91 S HN 0.344 nan 8.310 nan 0.000 0.449 92 F N 3.184 123.170 119.950 0.059 0.000 2.043 92 F HA -0.142 4.442 4.527 0.094 0.000 0.297 92 F C 2.216 178.039 175.800 0.039 0.000 1.121 92 F CA 2.373 60.395 58.000 0.036 0.000 1.199 92 F CB -0.566 38.446 39.000 0.020 0.000 0.968 92 F HN 0.408 nan 8.300 nan 0.000 0.478 93 M N -1.519 118.116 119.600 0.059 0.000 2.502 93 M HA 0.400 4.932 4.480 0.087 0.000 0.243 93 M C 1.295 177.618 176.300 0.039 0.000 1.130 93 M CA 0.975 56.243 55.300 -0.054 0.000 1.055 93 M CB -0.007 32.597 32.600 0.008 0.000 1.457 93 M HN 0.237 nan 8.290 nan 0.000 0.488 94 G N 1.490 110.353 108.800 0.104 0.000 2.171 94 G HA2 -0.238 3.774 3.960 0.087 0.000 0.238 94 G HA3 -0.238 3.774 3.960 0.087 0.000 0.238 94 G C -0.787 174.238 174.900 0.209 0.000 1.039 94 G CA 0.137 45.309 45.100 0.120 0.000 0.759 94 G HN 0.762 nan 8.290 nan 0.000 0.501 95 W N 1.839 123.168 121.300 0.049 0.000 2.424 95 W HA 0.501 5.202 4.660 0.069 0.000 0.318 95 W C 0.094 176.713 176.519 0.167 0.000 1.016 95 W CA -0.171 57.212 57.345 0.063 0.000 1.268 95 W CB 1.212 30.680 29.460 0.014 0.000 1.297 95 W HN 0.281 nan 8.180 nan 0.000 0.428 96 D N 3.433 123.692 120.400 -0.234 0.000 2.340 96 D HA 0.082 4.774 4.640 0.087 0.000 0.217 96 D C 0.404 176.548 176.300 -0.260 0.000 1.081 96 D CA 0.143 54.059 54.000 -0.140 0.000 0.842 96 D CB 0.357 41.072 40.800 -0.141 0.000 0.934 96 D HN 0.192 nan 8.370 nan 0.000 0.511 97 R N 0.072 120.186 120.500 -0.642 0.000 2.606 97 R HA 0.498 4.890 4.340 0.087 0.000 0.249 97 R C -2.428 174.009 176.300 0.229 0.000 1.127 97 R CA -2.066 53.828 56.100 -0.343 0.000 1.133 97 R CB 0.144 30.088 30.300 -0.593 0.000 1.243 97 R HN -0.045 nan 8.270 nan 0.000 0.558 98 P HA 0.005 nan 4.420 nan 0.000 0.267 98 P C -0.832 176.745 177.300 0.461 0.000 1.200 98 P CA 0.784 64.094 63.100 0.350 0.000 0.772 98 P CB 0.431 32.248 31.700 0.195 0.000 0.855 99 I N 2.478 123.235 120.570 0.312 0.000 2.534 99 I HA 0.330 4.552 4.170 0.087 0.000 0.288 99 I C -0.444 175.677 176.117 0.007 0.000 1.077 99 I CA -0.843 60.514 61.300 0.095 0.000 1.051 99 I CB 1.875 39.845 38.000 -0.050 0.000 1.234 99 I HN 0.173 nan 8.210 nan 0.000 0.425 100 L N 6.642 127.811 121.223 -0.090 0.000 2.295 100 L HA 0.629 5.021 4.340 0.087 0.000 0.285 100 L C -0.104 176.709 176.870 -0.095 0.000 1.035 100 L CA -0.039 54.714 54.840 -0.145 0.000 0.806 100 L CB 1.544 43.435 42.059 -0.279 0.000 1.214 100 L HN 0.706 nan 8.230 nan 0.000 0.426 101 T N -0.176 114.347 114.554 -0.051 0.000 2.829 101 T HA 0.376 4.778 4.350 0.087 0.000 0.280 101 T C -0.412 174.306 174.700 0.030 0.000 0.999 101 T CA -0.893 61.206 62.100 -0.001 0.000 0.983 101 T CB 1.686 70.570 68.868 0.027 0.000 0.968 101 T HN 0.504 nan 8.240 nan 0.000 0.446 102 D N 0.982 121.417 120.400 0.059 0.000 2.377 102 D HA 0.234 4.926 4.640 0.087 0.000 0.245 102 D C 1.475 177.840 176.300 0.109 0.000 1.196 102 D CA -0.417 53.632 54.000 0.082 0.000 0.962 102 D CB 1.440 42.293 40.800 0.089 0.000 1.127 102 D HN 0.606 nan 8.370 nan 0.000 0.471 103 S N 0.366 116.142 115.700 0.127 0.000 2.522 103 S HA 0.168 4.690 4.470 0.087 0.000 0.227 103 S C 1.644 176.409 174.600 0.275 0.000 0.986 103 S CA 0.586 58.915 58.200 0.216 0.000 0.929 103 S CB 0.007 63.366 63.200 0.264 0.000 0.769 103 S HN 0.884 nan 8.310 nan 0.000 0.529 104 G N 0.709 109.623 108.800 0.190 0.000 2.199 104 G HA2 -0.212 3.800 3.960 0.087 0.000 0.254 104 G HA3 -0.212 3.800 3.960 0.087 0.000 0.254 104 G C 0.839 175.804 174.900 0.109 0.000 0.982 104 G CA 0.053 45.261 45.100 0.181 0.000 0.632 104 G HN 1.073 nan 8.290 nan 0.000 0.529 105 G N -0.801 108.041 108.800 0.069 0.000 2.882 105 G HA2 0.258 4.270 3.960 0.087 0.000 0.206 105 G HA3 0.258 4.270 3.960 0.087 0.000 0.206 105 G C 0.913 175.745 174.900 -0.112 0.000 1.155 105 G CA 1.664 46.643 45.100 -0.201 0.000 0.800 105 G HN 0.790 nan 8.290 nan 0.000 0.524 106 Y N -0.231 119.952 120.300 -0.194 0.000 2.678 106 Y HA 0.193 4.794 4.550 0.086 0.000 0.274 106 Y C 2.582 178.312 175.900 -0.283 0.000 1.114 106 Y CA 0.529 58.512 58.100 -0.195 0.000 1.274 106 Y CB 0.163 38.538 38.460 -0.141 0.000 1.438 106 Y HN 0.154 nan 8.280 nan 0.000 0.493 107 Q N 0.493 119.971 119.800 -0.536 0.000 2.170 107 Q HA -0.112 4.280 4.340 0.087 0.000 0.203 107 Q C 2.225 177.481 176.000 -1.240 0.000 0.976 107 Q CA 2.126 57.402 55.803 -0.879 0.000 0.858 107 Q CB -0.623 27.704 28.738 -0.684 0.000 0.907 107 Q HN 0.426 nan 8.270 nan 0.000 0.433 108 V N 1.178 120.407 119.914 -1.141 0.000 2.287 108 V HA -0.247 3.925 4.120 0.087 0.000 0.248 108 V C 1.646 177.366 176.094 -0.623 0.000 1.053 108 V CA 1.990 63.653 62.300 -1.061 0.000 1.027 108 V CB -0.763 30.599 31.823 -0.767 0.000 0.646 108 V HN 0.601 nan 8.190 nan 0.000 0.447 109 M N 0.383 119.705 119.600 -0.463 0.000 3.376 109 M HA 0.348 4.880 4.480 0.087 0.000 0.218 109 M C 0.576 176.656 176.300 -0.367 0.000 1.295 109 M CA 0.783 55.903 55.300 -0.300 0.000 1.386 109 M CB 0.130 32.624 32.600 -0.176 0.000 1.205 109 M HN 0.322 nan 8.290 nan 0.000 0.496 110 S N -1.420 114.016 115.700 -0.441 0.000 1.766 110 S HA 0.114 4.636 4.470 0.087 0.000 0.211 110 S C 0.739 175.121 174.600 -0.363 0.000 0.790 110 S CA -0.452 57.505 58.200 -0.406 0.000 1.562 110 S CB -0.400 62.437 63.200 -0.606 0.000 1.003 110 S HN 0.548 nan 8.310 nan 0.000 0.425 111 L N 2.510 123.445 121.223 -0.480 0.000 2.515 111 L HA 0.447 4.839 4.340 0.087 0.000 0.223 111 L C 0.900 177.621 176.870 -0.249 0.000 1.079 111 L CA 0.883 55.463 54.840 -0.434 0.000 0.857 111 L CB 0.799 42.498 42.059 -0.601 0.000 1.050 111 L HN 0.574 nan 8.230 nan 0.000 0.476 116 K N 2.090 122.579 120.400 0.147 0.000 2.413 116 K HA 0.474 4.846 4.320 0.087 0.000 0.257 116 K C -0.706 175.985 176.600 0.151 0.000 0.946 116 K CA -0.557 55.803 56.287 0.122 0.000 0.823 116 K CB 1.626 34.185 32.500 0.099 0.000 1.109 116 K HN 0.730 nan 8.250 nan 0.000 0.427 117 Q N 1.601 121.487 119.800 0.145 0.000 2.235 117 Q HA 0.382 4.774 4.340 0.087 0.000 0.256 117 Q C -0.817 175.293 176.000 0.183 0.000 0.951 117 Q CA -0.631 55.287 55.803 0.192 0.000 0.890 117 Q CB 2.056 30.902 28.738 0.180 0.000 1.279 117 Q HN 0.819 nan 8.270 nan 0.000 0.444 118 S N -0.415 115.436 115.700 0.251 0.000 2.656 118 S HA 0.182 4.704 4.470 0.087 0.000 0.273 118 S C 0.299 175.111 174.600 0.353 0.000 1.168 118 S CA -0.789 57.545 58.200 0.223 0.000 0.817 118 S CB 1.289 64.589 63.200 0.166 0.000 1.146 118 S HN 0.660 nan 8.310 nan 0.000 0.475 119 E N 0.440 120.810 120.200 0.284 0.000 2.265 119 E HA -0.075 4.327 4.350 0.087 0.000 0.196 119 E C 1.291 178.197 176.600 0.510 0.000 0.996 119 E CA 1.528 58.158 56.400 0.383 0.000 0.832 119 E CB -0.089 29.744 29.700 0.222 0.000 0.756 119 E HN 0.555 nan 8.360 nan 0.000 0.491 120 E N -0.572 119.805 120.200 0.294 0.000 2.299 120 E HA 0.177 4.580 4.350 0.087 0.000 0.193 120 E C 0.937 177.535 176.600 -0.004 0.000 0.998 120 E CA 0.873 57.358 56.400 0.141 0.000 0.851 120 E CB 0.637 30.382 29.700 0.076 0.000 0.795 120 E HN 0.296 nan 8.360 nan 0.000 0.492 121 G N -0.454 108.414 108.800 0.113 0.000 2.403 121 G HA2 0.078 4.090 3.960 0.087 0.000 0.223 121 G HA3 0.078 4.090 3.960 0.087 0.000 0.223 121 G C -1.612 173.408 174.900 0.200 0.000 1.287 121 G CA -0.169 44.894 45.100 -0.062 0.000 0.982 121 G HN 0.107 nan 8.290 nan 0.000 0.471 122 V N 1.249 121.271 119.914 0.181 0.000 2.686 122 V HA 0.775 4.947 4.120 0.087 0.000 0.306 122 V C -0.074 176.213 176.094 0.323 0.000 1.065 122 V CA 0.589 63.054 62.300 0.274 0.000 0.894 122 V CB 1.705 33.718 31.823 0.318 0.000 1.004 122 V HN 1.761 nan 8.190 nan 0.000 0.424 123 T N 4.309 119.034 114.554 0.284 0.000 2.859 123 T HA 0.881 5.283 4.350 0.087 0.000 0.281 123 T C -0.707 174.213 174.700 0.367 0.000 1.005 123 T CA -0.458 61.789 62.100 0.244 0.000 1.025 123 T CB 1.460 70.387 68.868 0.099 0.000 0.977 123 T HN 1.182 nan 8.240 nan 0.000 0.458 124 F N -1.421 118.602 119.950 0.122 0.000 2.711 124 F HA 0.763 5.342 4.527 0.086 0.000 0.313 124 F C -1.099 174.788 175.800 0.145 0.000 1.141 124 F CA -1.613 56.466 58.000 0.131 0.000 0.941 124 F CB 1.810 40.906 39.000 0.161 0.000 1.349 124 F HN 0.671 nan 8.300 nan 0.000 0.464 125 K N 1.735 122.280 120.400 0.242 0.000 2.425 125 K HA 0.444 4.816 4.320 0.087 0.000 0.259 125 K C -0.290 176.495 176.600 0.308 0.000 0.978 125 K CA -0.541 55.827 56.287 0.135 0.000 0.883 125 K CB 1.441 33.995 32.500 0.091 0.000 1.110 125 K HN 0.885 nan 8.250 nan 0.000 0.436 126 S N 3.596 119.487 115.700 0.319 0.000 2.561 126 S HA -0.083 4.439 4.470 0.087 0.000 0.294 126 S C 0.493 175.250 174.600 0.262 0.000 1.294 126 S CA -0.443 57.983 58.200 0.377 0.000 1.055 126 S CB 0.120 63.431 63.200 0.185 0.000 0.819 126 S HN 0.690 nan 8.310 nan 0.000 0.503 133 H N 2.663 121.412 119.070 -0.535 0.000 2.996 133 H HA 0.554 5.162 4.556 0.087 0.000 0.368 133 H C -1.172 173.851 175.328 -0.508 0.000 1.185 133 H CA -0.813 54.837 56.048 -0.663 0.000 1.160 133 H CB 2.173 31.233 29.762 -1.170 0.000 1.820 133 H HN 0.456 nan 8.280 nan 0.000 0.547 134 M N 2.752 122.312 119.600 -0.066 0.000 2.465 134 M HA 0.490 5.022 4.480 0.087 0.000 0.316 134 M C -2.104 174.269 176.300 0.122 0.000 1.121 134 M CA -0.874 54.456 55.300 0.051 0.000 0.934 134 M CB 1.399 33.997 32.600 -0.003 0.000 1.692 134 M HN 0.373 nan 8.290 nan 0.000 0.444 135 L N 4.367 125.669 121.223 0.132 0.000 2.441 135 L HA 0.829 5.221 4.340 0.087 0.000 0.270 135 L C -1.188 175.422 176.870 -0.432 0.000 0.973 135 L CA 0.312 55.120 54.840 -0.053 0.000 0.842 135 L CB 1.850 44.001 42.059 0.152 0.000 1.239 135 L HN 0.960 nan 8.230 nan 0.000 0.406 136 S N 3.565 118.881 115.700 -0.640 0.000 2.709 136 S HA 0.747 5.269 4.470 0.087 0.000 0.302 136 S C -2.430 171.512 174.600 -1.096 0.000 1.127 136 S CA -1.397 56.291 58.200 -0.852 0.000 0.905 136 S CB 1.753 64.696 63.200 -0.427 0.000 1.151 136 S HN 0.395 nan 8.310 nan 0.000 0.510 137 P HA -0.078 nan 4.420 nan 0.000 0.215 137 P C 0.943 178.093 177.300 -0.250 0.000 1.157 137 P CA 1.423 64.260 63.100 -0.439 0.000 0.868 137 P CB -0.012 31.570 31.700 -0.197 0.000 0.788 138 E N -0.966 119.105 120.200 -0.215 0.000 2.051 138 E HA -0.202 4.200 4.350 0.087 0.000 0.192 138 E C 2.145 178.675 176.600 -0.116 0.000 0.991 138 E CA 1.130 57.461 56.400 -0.115 0.000 0.799 138 E CB -0.592 29.052 29.700 -0.093 0.000 0.748 138 E HN 0.004 nan 8.360 nan 0.000 0.449 139 R N 0.409 120.800 120.500 -0.180 0.000 2.092 139 R HA 0.005 4.397 4.340 0.087 0.000 0.231 139 R C 2.254 178.486 176.300 -0.115 0.000 1.119 139 R CA 1.634 57.654 56.100 -0.133 0.000 0.970 139 R CB -0.871 29.342 30.300 -0.145 0.000 0.864 139 R HN 0.154 nan 8.270 nan 0.000 0.440 140 S N -0.183 115.394 115.700 -0.205 0.000 2.356 140 S HA -0.060 4.462 4.470 0.087 0.000 0.223 140 S C 1.840 176.455 174.600 0.026 0.000 1.032 140 S CA 1.306 59.452 58.200 -0.090 0.000 1.005 140 S CB -0.228 62.907 63.200 -0.109 0.000 0.867 140 S HN 0.321 nan 8.310 nan 0.000 0.449 141 I N 1.939 122.529 120.570 0.033 0.000 2.226 141 I HA -0.105 4.117 4.170 0.087 0.000 0.245 141 I C 2.582 178.762 176.117 0.104 0.000 1.100 141 I CA 1.542 62.908 61.300 0.110 0.000 1.374 141 I CB -1.591 36.487 38.000 0.130 0.000 1.057 141 I HN 0.569 nan 8.210 nan 0.000 0.413 142 E N 1.346 121.579 120.200 0.055 0.000 2.077 142 E HA -0.201 4.201 4.350 0.087 0.000 0.193 142 E C 2.412 179.069 176.600 0.094 0.000 0.989 142 E CA 1.136 57.582 56.400 0.077 0.000 0.800 142 E CB -0.017 29.700 29.700 0.029 0.000 0.746 142 E HN 0.433 nan 8.360 nan 0.000 0.452 143 I N 0.949 121.548 120.570 0.049 0.000 2.226 143 I HA -0.308 3.914 4.170 0.087 0.000 0.245 143 I C 2.588 178.733 176.117 0.046 0.000 1.100 143 I CA 1.353 62.672 61.300 0.031 0.000 1.374 143 I CB -0.285 37.727 38.000 0.019 0.000 1.057 143 I HN 0.225 nan 8.210 nan 0.000 0.413 144 Q N -0.526 119.324 119.800 0.083 0.000 2.170 144 Q HA -0.276 4.116 4.340 0.087 0.000 0.203 144 Q C 2.096 178.162 176.000 0.110 0.000 0.976 144 Q CA 1.721 57.581 55.803 0.096 0.000 0.858 144 Q CB -0.335 28.481 28.738 0.129 0.000 0.907 144 Q HN 0.584 nan 8.270 nan 0.000 0.433 145 H N 0.896 119.989 119.070 0.038 0.000 2.326 145 H HA -0.047 4.561 4.556 0.088 0.000 0.301 145 H C 1.790 177.124 175.328 0.010 0.000 1.081 145 H CA 1.393 57.451 56.048 0.015 0.000 1.334 145 H CB -0.229 29.523 29.762 -0.018 0.000 1.385 145 H HN 0.108 nan 8.280 nan 0.000 0.504 146 L N -0.073 121.035 121.223 -0.192 0.000 2.127 146 L HA -0.167 4.225 4.340 0.087 0.000 0.211 146 L C 2.373 179.139 176.870 -0.173 0.000 1.089 146 L CA 1.026 55.723 54.840 -0.237 0.000 0.757 146 L CB -0.338 41.664 42.059 -0.096 0.000 0.899 146 L HN 0.338 nan 8.230 nan 0.000 0.434 147 L N -0.599 120.569 121.223 -0.092 0.000 2.313 147 L HA 0.035 4.427 4.340 0.087 0.000 0.214 147 L C 1.414 178.281 176.870 -0.005 0.000 1.119 147 L CA 0.678 55.487 54.840 -0.052 0.000 0.809 147 L CB -0.554 41.493 42.059 -0.021 0.000 0.933 147 L HN 0.509 nan 8.230 nan 0.000 0.449 148 G N 0.417 109.209 108.800 -0.013 0.000 2.171 148 G HA2 -0.272 3.740 3.960 0.087 0.000 0.238 148 G HA3 -0.272 3.740 3.960 0.087 0.000 0.238 148 G C 0.297 175.320 174.900 0.205 0.000 1.039 148 G CA 0.366 45.513 45.100 0.079 0.000 0.759 148 G HN 0.302 nan 8.290 nan 0.000 0.501 149 S N -0.548 115.238 115.700 0.143 0.000 2.560 149 S HA 0.307 4.829 4.470 0.087 0.000 0.284 149 S C 1.412 176.125 174.600 0.188 0.000 1.327 149 S CA 0.610 58.903 58.200 0.154 0.000 1.055 149 S CB 0.478 63.739 63.200 0.102 0.000 0.868 149 S HN 0.300 nan 8.310 nan 0.000 0.506 150 D N 3.052 123.567 120.400 0.191 0.000 2.201 150 D HA 0.133 4.825 4.640 0.087 0.000 0.209 150 D C 0.209 176.575 176.300 0.109 0.000 0.961 150 D CA 0.973 55.072 54.000 0.166 0.000 0.861 150 D CB 0.222 41.129 40.800 0.179 0.000 0.997 150 D HN 0.495 nan 8.370 nan 0.000 0.486 151 I N 2.144 122.718 120.570 0.006 0.000 2.382 151 I HA 0.151 4.373 4.170 0.087 0.000 0.285 151 I C -0.559 175.478 176.117 -0.133 0.000 1.007 151 I CA -0.568 60.633 61.300 -0.165 0.000 1.142 151 I CB 2.408 40.137 38.000 -0.452 0.000 1.289 151 I HN -0.350 nan 8.210 nan 0.000 0.453 152 V N 6.836 126.724 119.914 -0.043 0.000 2.439 152 V HA 0.380 4.552 4.120 0.087 0.000 0.282 152 V C 0.390 176.470 176.094 -0.023 0.000 1.039 152 V CA -0.517 61.805 62.300 0.038 0.000 0.913 152 V CB 1.517 33.472 31.823 0.220 0.000 0.983 152 V HN 0.570 nan 8.190 nan 0.000 0.460 153 M N 3.650 123.262 119.600 0.020 0.000 2.264 153 M HA 0.524 5.056 4.480 0.087 0.000 0.352 153 M C 0.330 176.670 176.300 0.067 0.000 1.173 153 M CA -0.506 54.813 55.300 0.031 0.000 1.075 153 M CB 1.246 33.876 32.600 0.050 0.000 1.621 153 M HN 0.736 nan 8.290 nan 0.000 0.457 154 A N 2.955 125.788 122.820 0.023 0.000 2.466 154 A HA 0.249 4.622 4.320 0.087 0.000 0.238 154 A C -0.508 177.167 177.584 0.151 0.000 1.074 154 A CA -0.217 51.873 52.037 0.088 0.000 0.774 154 A CB -0.040 18.951 19.000 -0.014 0.000 1.015 154 A HN 0.739 nan 8.150 nan 0.000 0.498 155 F N 2.869 122.866 119.950 0.078 0.000 2.444 155 F HA 0.369 4.947 4.527 0.086 0.000 0.360 155 F C 0.308 176.256 175.800 0.247 0.000 1.106 155 F CA -0.185 57.868 58.000 0.088 0.000 1.170 155 F CB 0.409 39.391 39.000 -0.030 0.000 1.113 155 F HN 0.760 nan 8.300 nan 0.000 0.521 156 D N 3.821 124.062 120.400 -0.264 0.000 2.727 156 D HA 0.253 4.945 4.640 0.087 0.000 0.264 156 D C -1.460 174.744 176.300 -0.160 0.000 1.101 156 D CA -0.745 53.218 54.000 -0.061 0.000 1.122 156 D CB 1.300 42.058 40.800 -0.069 0.000 1.390 156 D HN 0.581 nan 8.370 nan 0.000 0.606 157 E N -0.336 119.813 120.200 -0.086 0.000 2.235 157 E HA 0.347 4.749 4.350 0.087 0.000 0.252 157 E C -1.319 175.241 176.600 -0.067 0.000 0.886 157 E CA -0.799 55.553 56.400 -0.080 0.000 0.767 157 E CB 1.120 30.721 29.700 -0.165 0.000 1.205 157 E HN 0.516 nan 8.360 nan 0.000 0.421 158 C N 4.544 123.830 119.300 -0.023 0.000 2.627 158 C HA 0.250 4.762 4.460 0.087 0.000 0.404 158 C C 0.429 175.430 174.990 0.019 0.000 1.340 158 C CA 0.043 59.063 59.018 0.004 0.000 1.758 158 C CB -0.736 27.057 27.740 0.089 0.000 2.501 158 C HN 0.703 nan 8.230 nan 0.000 0.588 159 T N 9.750 124.309 114.554 0.009 0.000 2.794 159 T HA 0.297 4.699 4.350 0.087 0.000 0.296 159 T C -2.010 172.729 174.700 0.065 0.000 0.949 159 T CA -0.314 61.804 62.100 0.030 0.000 1.101 159 T CB 0.641 69.532 68.868 0.038 0.000 0.905 159 T HN 0.702 nan 8.240 nan 0.000 0.516 160 P HA 0.124 nan 4.420 nan 0.000 0.271 160 P C -1.243 176.132 177.300 0.123 0.000 1.216 160 P CA -0.421 62.731 63.100 0.087 0.000 0.776 160 P CB 0.540 32.269 31.700 0.048 0.000 0.881 161 Y N 3.616 123.920 120.300 0.006 0.000 2.352 161 Y HA 0.493 5.095 4.550 0.087 0.000 0.339 161 Y C -2.144 173.758 175.900 0.003 0.000 0.992 161 Y CA -2.298 55.800 58.100 -0.003 0.000 1.100 161 Y CB 0.587 39.032 38.460 -0.024 0.000 1.192 161 Y HN 0.336 nan 8.280 nan 0.000 0.458 162 P HA 0.645 nan 4.420 nan 0.000 0.276 162 P C -1.711 175.470 177.300 -0.199 0.000 1.252 162 P CA -0.585 62.039 63.100 -0.793 0.000 0.802 162 P CB 1.184 32.451 31.700 -0.722 0.000 1.035 163 A N 0.297 123.101 122.820 -0.027 0.000 2.422 163 A HA 0.620 4.992 4.320 0.087 0.000 0.302 163 A C -0.020 177.688 177.584 0.207 0.000 1.041 163 A CA -0.556 51.539 52.037 0.096 0.000 0.708 163 A CB 0.813 19.905 19.000 0.153 0.000 1.257 163 A HN 0.609 nan 8.150 nan 0.000 0.414 164 T N 0.555 115.173 114.554 0.106 0.000 2.860 164 T HA 0.379 4.781 4.350 0.087 0.000 0.299 164 T C -1.814 172.875 174.700 -0.018 0.000 1.045 164 T CA -0.971 61.164 62.100 0.058 0.000 1.071 164 T CB 0.575 69.437 68.868 -0.010 0.000 0.985 164 T HN 0.262 nan 8.240 nan 0.000 0.537 165 P HA -0.143 nan 4.420 nan 0.000 0.216 165 P C 1.947 179.094 177.300 -0.255 0.000 1.150 165 P CA 1.216 63.954 63.100 -0.603 0.000 0.843 165 P CB -0.071 31.225 31.700 -0.674 0.000 0.787 166 S N -0.930 114.677 115.700 -0.156 0.000 2.356 166 S HA -0.162 4.360 4.470 0.087 0.000 0.223 166 S C 2.011 176.577 174.600 -0.056 0.000 1.032 166 S CA 1.160 59.303 58.200 -0.094 0.000 1.005 166 S CB -0.495 62.662 63.200 -0.072 0.000 0.867 166 S HN -0.010 nan 8.310 nan 0.000 0.449 167 R N 0.453 120.935 120.500 -0.031 0.000 2.092 167 R HA 0.060 4.452 4.340 0.087 0.000 0.231 167 R C 2.625 178.931 176.300 0.010 0.000 1.119 167 R CA 1.157 57.251 56.100 -0.009 0.000 0.970 167 R CB -0.523 29.781 30.300 0.006 0.000 0.864 167 R HN 0.515 nan 8.270 nan 0.000 0.440 168 A N 1.117 123.969 122.820 0.053 0.000 1.930 168 A HA -0.082 4.290 4.320 0.087 0.000 0.217 168 A C 2.326 179.939 177.584 0.049 0.000 1.175 168 A CA 1.595 53.698 52.037 0.110 0.000 0.627 168 A CB -0.510 18.678 19.000 0.314 0.000 0.815 168 A HN 0.385 nan 8.150 nan 0.000 0.443 169 A N -0.576 122.244 122.820 -0.000 0.000 1.873 169 A HA -0.051 4.321 4.320 0.087 0.000 0.215 169 A C 2.453 180.012 177.584 -0.040 0.000 1.186 169 A CA 2.008 54.030 52.037 -0.024 0.000 0.616 169 A CB -0.930 18.037 19.000 -0.056 0.000 0.823 169 A HN 0.435 nan 8.150 nan 0.000 0.442 170 S N -0.405 115.266 115.700 -0.048 0.000 2.359 170 S HA -0.168 4.354 4.470 0.087 0.000 0.224 170 S C 2.364 176.904 174.600 -0.100 0.000 1.035 170 S CA 1.595 59.755 58.200 -0.067 0.000 1.018 170 S CB -0.405 62.761 63.200 -0.057 0.000 0.876 170 S HN 0.685 nan 8.310 nan 0.000 0.448 171 S N 1.029 116.677 115.700 -0.086 0.000 2.356 171 S HA -0.075 4.447 4.470 0.087 0.000 0.223 171 S C 1.984 176.499 174.600 -0.142 0.000 1.032 171 S CA 1.246 59.371 58.200 -0.125 0.000 1.005 171 S CB -0.390 62.767 63.200 -0.071 0.000 0.867 171 S HN 0.424 nan 8.310 nan 0.000 0.449 172 M N 1.295 120.849 119.600 -0.077 0.000 2.086 172 M HA -0.106 4.426 4.480 0.087 0.000 0.261 172 M C 1.792 178.042 176.300 -0.083 0.000 1.067 172 M CA 1.891 57.154 55.300 -0.061 0.000 1.116 172 M CB -1.081 31.514 32.600 -0.009 0.000 1.348 172 M HN 0.394 nan 8.290 nan 0.000 0.407 173 E N -0.337 119.812 120.200 -0.085 0.000 2.077 173 E HA -0.242 4.160 4.350 0.087 0.000 0.193 173 E C 2.140 178.654 176.600 -0.144 0.000 0.989 173 E CA 1.550 57.901 56.400 -0.083 0.000 0.800 173 E CB -0.269 29.391 29.700 -0.067 0.000 0.746 173 E HN 0.524 nan 8.360 nan 0.000 0.452 174 R N 0.553 120.903 120.500 -0.251 0.000 2.075 174 R HA -0.095 4.297 4.340 0.087 0.000 0.232 174 R C 2.232 178.185 176.300 -0.578 0.000 1.126 174 R CA 1.619 57.431 56.100 -0.480 0.000 0.963 174 R CB -0.083 29.822 30.300 -0.658 0.000 0.858 174 R HN -0.020 nan 8.270 nan 0.000 0.435 175 S N 0.412 115.881 115.700 -0.386 0.000 2.382 175 S HA -0.106 4.416 4.470 0.087 0.000 0.228 175 S C 1.810 176.410 174.600 -0.000 0.000 1.027 175 S CA 1.292 59.387 58.200 -0.174 0.000 0.991 175 S CB -0.055 63.077 63.200 -0.113 0.000 0.823 175 S HN 0.303 nan 8.310 nan 0.000 0.469 176 M N 1.033 120.622 119.600 -0.017 0.000 2.254 176 M HA 0.055 4.587 4.480 0.087 0.000 0.265 176 M C 1.997 178.366 176.300 0.115 0.000 1.066 176 M CA 1.204 56.542 55.300 0.063 0.000 1.123 176 M CB -1.128 31.498 32.600 0.043 0.000 1.388 176 M HN 0.253 nan 8.290 nan 0.000 0.425 177 R N -1.133 119.410 120.500 0.072 0.000 2.075 177 R HA -0.165 4.227 4.340 0.087 0.000 0.232 177 R C 2.058 178.556 176.300 0.330 0.000 1.126 177 R CA 1.226 57.415 56.100 0.148 0.000 0.963 177 R CB -0.249 30.106 30.300 0.091 0.000 0.858 177 R HN 0.374 nan 8.270 nan 0.000 0.435 178 W N 0.564 121.933 121.300 0.115 0.000 2.425 178 W HA 0.064 4.776 4.660 0.086 0.000 0.277 178 W C 2.267 178.888 176.519 0.169 0.000 1.231 178 W CA 0.422 57.863 57.345 0.160 0.000 1.248 178 W CB -0.729 28.850 29.460 0.197 0.000 1.117 178 W HN 0.170 nan 8.180 nan 0.000 0.568 179 A N 0.243 123.286 122.820 0.370 0.000 1.930 179 A HA -0.186 4.186 4.320 0.087 0.000 0.217 179 A C 2.039 179.847 177.584 0.374 0.000 1.175 179 A CA 2.077 54.318 52.037 0.341 0.000 0.627 179 A CB -0.536 18.630 19.000 0.277 0.000 0.815 179 A HN 0.092 nan 8.150 nan 0.000 0.443 180 K N 0.311 120.878 120.400 0.278 0.000 2.057 180 K HA -0.044 4.328 4.320 0.087 0.000 0.206 180 K C 2.018 178.719 176.600 0.169 0.000 1.050 180 K CA 1.568 57.968 56.287 0.188 0.000 0.935 180 K CB -0.353 32.234 32.500 0.146 0.000 0.715 180 K HN 0.441 nan 8.250 nan 0.000 0.439 181 R N -0.158 120.462 120.500 0.200 0.000 2.092 181 R HA 0.000 4.392 4.340 0.087 0.000 0.231 181 R C 2.372 178.760 176.300 0.146 0.000 1.119 181 R CA 1.512 57.704 56.100 0.154 0.000 0.970 181 R CB -0.252 30.140 30.300 0.153 0.000 0.864 181 R HN 0.138 nan 8.270 nan 0.000 0.440 182 S N 0.531 116.352 115.700 0.201 0.000 2.368 182 S HA -0.154 4.368 4.470 0.087 0.000 0.225 182 S C 1.800 176.526 174.600 0.210 0.000 1.030 182 S CA 1.319 59.644 58.200 0.208 0.000 0.999 182 S CB -0.184 63.171 63.200 0.257 0.000 0.844 182 S HN 0.208 nan 8.310 nan 0.000 0.459 183 R N 1.933 122.548 120.500 0.191 0.000 2.080 183 R HA -0.114 4.278 4.340 0.087 0.000 0.236 183 R C 1.493 177.859 176.300 0.110 0.000 1.137 183 R CA 2.033 58.177 56.100 0.074 0.000 0.943 183 R CB -0.785 29.460 30.300 -0.092 0.000 0.846 183 R HN 0.233 nan 8.270 nan 0.000 0.431 184 D N -0.046 120.408 120.400 0.090 0.000 2.144 184 D HA -0.095 4.597 4.640 0.087 0.000 0.199 184 D C 1.724 178.074 176.300 0.084 0.000 0.984 184 D CA 1.633 55.677 54.000 0.074 0.000 0.834 184 D CB -0.421 40.412 40.800 0.055 0.000 0.955 184 D HN 0.413 nan 8.370 nan 0.000 0.465 185 A N 0.436 123.316 122.820 0.099 0.000 1.902 185 A HA -0.162 4.210 4.320 0.087 0.000 0.217 185 A C 2.112 179.752 177.584 0.093 0.000 1.181 185 A CA 0.982 53.062 52.037 0.072 0.000 0.623 185 A CB -0.996 18.044 19.000 0.066 0.000 0.818 185 A HN 0.249 nan 8.150 nan 0.000 0.443 186 F N 1.243 121.194 119.950 0.002 0.000 2.102 186 F HA -0.183 4.396 4.527 0.086 0.000 0.298 186 F C 1.714 177.499 175.800 -0.026 0.000 1.105 186 F CA 2.161 60.159 58.000 -0.003 0.000 1.239 186 F CB -0.120 38.899 39.000 0.033 0.000 0.991 186 F HN 0.231 nan 8.300 nan 0.000 0.474 187 D N -0.471 120.062 120.400 0.222 0.000 2.219 187 D HA -0.112 4.580 4.640 0.087 0.000 0.205 187 D C 2.309 178.592 176.300 -0.028 0.000 0.970 187 D CA 1.261 55.316 54.000 0.092 0.000 0.851 187 D CB -0.273 40.591 40.800 0.107 0.000 0.943 187 D HN 0.245 nan 8.370 nan 0.000 0.488 188 S N -0.209 115.473 115.700 -0.031 0.000 2.515 188 S HA -0.028 4.494 4.470 0.087 0.000 0.231 188 S C 1.132 175.667 174.600 -0.109 0.000 0.987 188 S CA 0.031 58.198 58.200 -0.054 0.000 0.936 188 S CB 0.337 63.517 63.200 -0.033 0.000 0.766 188 S HN 0.136 nan 8.310 nan 0.000 0.528 189 R N 1.325 121.715 120.500 -0.184 0.000 2.346 189 R HA 0.221 4.613 4.340 0.087 0.000 0.309 189 R C 0.284 176.418 176.300 -0.277 0.000 1.119 189 R CA -0.299 55.642 56.100 -0.264 0.000 1.112 189 R CB 0.221 30.283 30.300 -0.396 0.000 1.132 189 R HN -0.076 nan 8.270 nan 0.000 0.538 190 K N 1.464 121.756 120.400 -0.180 0.000 2.052 190 K HA -0.278 4.094 4.320 0.087 0.000 0.215 190 K C 1.501 178.013 176.600 -0.147 0.000 1.053 190 K CA 2.144 58.349 56.287 -0.137 0.000 0.934 190 K CB -0.101 32.348 32.500 -0.084 0.000 0.717 190 K HN 0.606 nan 8.250 nan 0.000 0.450 191 E N 0.515 120.631 120.200 -0.141 0.000 2.085 191 E HA -0.315 4.087 4.350 0.087 0.000 0.194 191 E C 2.265 178.797 176.600 -0.114 0.000 0.994 191 E CA 1.573 57.923 56.400 -0.083 0.000 0.801 191 E CB -0.008 29.688 29.700 -0.007 0.000 0.743 191 E HN 0.449 nan 8.360 nan 0.000 0.453 192 Q N -0.231 119.415 119.800 -0.257 0.000 2.049 192 Q HA -0.127 4.265 4.340 0.087 0.000 0.198 192 Q C 2.089 177.761 176.000 -0.547 0.000 0.971 192 Q CA 1.375 56.969 55.803 -0.349 0.000 0.833 192 Q CB -0.200 28.218 28.738 -0.532 0.000 0.896 192 Q HN 0.334 nan 8.270 nan 0.000 0.434 193 A N 0.726 123.169 122.820 -0.628 0.000 1.972 193 A HA -0.209 4.163 4.320 0.087 0.000 0.219 193 A C 1.654 179.200 177.584 -0.063 0.000 1.169 193 A CA 1.692 53.472 52.037 -0.427 0.000 0.635 193 A CB -0.392 18.475 19.000 -0.221 0.000 0.810 193 A HN 0.545 nan 8.150 nan 0.000 0.446 194 E N -0.782 119.378 120.200 -0.067 0.000 2.318 194 E HA -0.009 4.393 4.350 0.087 0.000 0.193 194 E C 0.919 177.545 176.600 0.044 0.000 0.998 194 E CA 0.533 56.938 56.400 0.009 0.000 0.859 194 E CB 0.047 29.743 29.700 -0.007 0.000 0.812 194 E HN 0.576 nan 8.360 nan 0.000 0.492 195 N N -0.277 118.444 118.700 0.034 0.000 2.273 195 N HA 0.139 4.931 4.740 0.087 0.000 0.192 195 N C 0.042 175.624 175.510 0.120 0.000 1.132 195 N CA 0.180 53.270 53.050 0.067 0.000 0.887 195 N CB 1.235 39.746 38.487 0.040 0.000 1.048 195 N HN -0.033 nan 8.380 nan 0.000 0.490 196 A N 0.441 123.356 122.820 0.159 0.000 2.347 196 A HA 0.888 5.260 4.320 0.087 0.000 0.301 196 A C -0.831 176.992 177.584 0.398 0.000 1.163 196 A CA -0.455 51.739 52.037 0.261 0.000 0.860 196 A CB 1.318 20.486 19.000 0.280 0.000 1.367 196 A HN 0.096 nan 8.150 nan 0.000 0.461 197 A N -0.823 122.172 122.820 0.292 0.000 2.384 197 A HA 0.754 5.126 4.320 0.087 0.000 0.312 197 A C -1.383 176.124 177.584 -0.128 0.000 1.113 197 A CA -0.451 51.621 52.037 0.059 0.000 0.779 197 A CB 1.302 20.219 19.000 -0.137 0.000 1.307 197 A HN 1.570 nan 8.150 nan 0.000 0.436 198 L N 0.870 121.865 121.223 -0.381 0.000 2.381 198 L HA 0.796 5.188 4.340 0.087 0.000 0.274 198 L C -1.900 175.027 176.870 0.095 0.000 0.988 198 L CA -0.293 54.314 54.840 -0.388 0.000 0.824 198 L CB 1.227 42.691 42.059 -0.993 0.000 1.263 198 L HN 0.524 nan 8.230 nan 0.000 0.410 199 F N 2.647 122.437 119.950 -0.267 0.000 2.443 199 F HA 0.763 5.343 4.527 0.088 0.000 0.335 199 F C 0.924 176.343 175.800 -0.635 0.000 1.104 199 F CA -0.986 56.797 58.000 -0.362 0.000 1.013 199 F CB 1.938 40.812 39.000 -0.209 0.000 1.136 199 F HN 0.565 nan 8.300 nan 0.000 0.470 200 G N 2.862 111.009 108.800 -1.087 0.000 2.437 200 G HA2 0.648 4.660 3.960 0.087 0.000 0.319 200 G HA3 0.648 4.660 3.960 0.087 0.000 0.319 200 G C -1.000 173.557 174.900 -0.573 0.000 1.158 200 G CA -0.593 43.626 45.100 -1.469 0.000 0.899 200 G HN 0.529 nan 8.290 nan 0.000 0.502 201 I N 0.613 120.963 120.570 -0.367 0.000 2.418 201 I HA 0.226 4.448 4.170 0.087 0.000 0.287 201 I C 0.147 176.191 176.117 -0.121 0.000 1.008 201 I CA -0.526 60.660 61.300 -0.190 0.000 1.104 201 I CB 2.036 39.943 38.000 -0.155 0.000 1.264 201 I HN 0.409 nan 8.210 nan 0.000 0.438 202 Q N 5.912 125.663 119.800 -0.082 0.000 2.304 202 Q HA 0.228 4.620 4.340 0.087 0.000 0.260 202 Q C -0.844 175.125 176.000 -0.053 0.000 0.965 202 Q CA -0.169 55.608 55.803 -0.043 0.000 0.898 202 Q CB 1.108 29.830 28.738 -0.028 0.000 1.196 202 Q HN 0.526 nan 8.270 nan 0.000 0.402 203 Q N 1.107 120.889 119.800 -0.029 0.000 3.105 203 Q HA 0.568 4.960 4.340 0.087 0.000 0.280 203 Q C 0.013 176.024 176.000 0.017 0.000 1.042 203 Q CA 0.008 55.797 55.803 -0.024 0.000 0.857 203 Q CB 1.718 30.434 28.738 -0.035 0.000 1.468 203 Q HN 0.949 nan 8.270 nan 0.000 0.494 204 G N -0.308 108.518 108.800 0.043 0.000 2.173 204 G HA2 -0.160 3.852 3.960 0.087 0.000 0.142 204 G HA3 -0.160 3.852 3.960 0.087 0.000 0.142 204 G C 0.332 175.322 174.900 0.149 0.000 1.019 204 G CA 0.853 46.019 45.100 0.110 0.000 0.699 204 G HN 0.743 nan 8.290 nan 0.000 0.495 205 S N -2.246 113.497 115.700 0.071 0.000 3.736 205 S HA -0.360 4.162 4.470 0.087 0.000 0.627 205 S C 1.833 176.356 174.600 -0.128 0.000 2.426 205 S CA 3.327 61.522 58.200 -0.008 0.000 4.022 205 S CB -1.189 62.039 63.200 0.045 0.000 0.237 205 S HN 1.985 nan 8.310 nan 0.000 0.967 206 V N -0.272 119.391 119.914 -0.419 0.000 3.444 206 V HA 0.524 4.697 4.120 0.087 0.000 0.308 206 V C 0.260 176.190 176.094 -0.274 0.000 1.371 206 V CA 0.251 62.350 62.300 -0.336 0.000 1.141 206 V CB -0.715 30.904 31.823 -0.339 0.000 1.037 206 V HN 0.454 nan 8.190 nan 0.000 0.433 207 F N 1.346 121.397 119.950 0.168 0.000 2.411 207 F HA 0.487 5.066 4.527 0.087 0.000 0.355 207 F C 1.607 177.406 175.800 -0.000 0.000 1.117 207 F CA -0.847 57.199 58.000 0.077 0.000 1.139 207 F CB 1.255 40.272 39.000 0.028 0.000 1.120 207 F HN 0.113 nan 8.300 nan 0.000 0.493 208 E N 3.205 123.323 120.200 -0.137 0.000 2.070 208 E HA -0.302 4.100 4.350 0.087 0.000 0.197 208 E C 1.738 178.222 176.600 -0.194 0.000 1.004 208 E CA 2.224 58.277 56.400 -0.578 0.000 0.805 208 E CB -0.062 29.012 29.700 -1.043 0.000 0.744 208 E HN 0.878 nan 8.360 nan 0.000 0.451 209 N N -0.363 118.282 118.700 -0.093 0.000 2.166 209 N HA -0.189 4.603 4.740 0.087 0.000 0.186 209 N C 1.838 177.348 175.510 0.000 0.000 1.019 209 N CA 0.849 53.869 53.050 -0.050 0.000 0.856 209 N CB -0.168 38.290 38.487 -0.047 0.000 0.993 209 N HN 0.083 nan 8.380 nan 0.000 0.426 210 L N 1.063 122.320 121.223 0.057 0.000 2.093 210 L HA 0.033 4.425 4.340 0.087 0.000 0.208 210 L C 2.610 179.523 176.870 0.072 0.000 1.085 210 L CA 1.241 56.125 54.840 0.074 0.000 0.755 210 L CB -0.730 41.415 42.059 0.143 0.000 0.904 210 L HN 0.186 nan 8.230 nan 0.000 0.435 211 R N -0.700 119.860 120.500 0.100 0.000 2.096 211 R HA -0.176 4.216 4.340 0.087 0.000 0.235 211 R C 2.169 178.504 176.300 0.059 0.000 1.127 211 R CA 1.082 57.245 56.100 0.105 0.000 0.968 211 R CB -0.455 29.979 30.300 0.223 0.000 0.861 211 R HN 0.386 nan 8.270 nan 0.000 0.440 212 Q N 1.142 120.960 119.800 0.030 0.000 2.046 212 Q HA -0.131 4.261 4.340 0.087 0.000 0.200 212 Q C 1.969 177.973 176.000 0.007 0.000 0.975 212 Q CA 1.692 57.499 55.803 0.007 0.000 0.836 212 Q CB -0.049 28.677 28.738 -0.020 0.000 0.896 212 Q HN 0.355 nan 8.270 nan 0.000 0.428 213 Q N -0.759 119.046 119.800 0.009 0.000 2.084 213 Q HA -0.153 4.239 4.340 0.087 0.000 0.202 213 Q C 2.218 178.231 176.000 0.021 0.000 0.978 213 Q CA 1.539 57.348 55.803 0.011 0.000 0.844 213 Q CB -0.292 28.450 28.738 0.007 0.000 0.898 213 Q HN 0.363 nan 8.270 nan 0.000 0.426 214 S N 0.061 115.777 115.700 0.026 0.000 2.356 214 S HA -0.160 4.362 4.470 0.087 0.000 0.223 214 S C 1.997 176.621 174.600 0.040 0.000 1.032 214 S CA 1.079 59.298 58.200 0.032 0.000 1.005 214 S CB -0.237 62.978 63.200 0.025 0.000 0.867 214 S HN 0.459 nan 8.310 nan 0.000 0.449 215 A N 1.624 124.457 122.820 0.022 0.000 1.883 215 A HA -0.137 4.235 4.320 0.087 0.000 0.217 215 A C 1.908 179.496 177.584 0.007 0.000 1.186 215 A CA 1.989 54.024 52.037 -0.003 0.000 0.624 215 A CB -0.988 17.988 19.000 -0.040 0.000 0.822 215 A HN 0.577 nan 8.150 nan 0.000 0.444 216 D N 0.055 120.461 120.400 0.011 0.000 2.117 216 D HA -0.061 4.631 4.640 0.087 0.000 0.197 216 D C 2.232 178.565 176.300 0.054 0.000 0.987 216 D CA 1.509 55.520 54.000 0.018 0.000 0.829 216 D CB -0.461 40.346 40.800 0.011 0.000 0.961 216 D HN 0.437 nan 8.370 nan 0.000 0.460 217 A N 0.674 123.535 122.820 0.069 0.000 1.902 217 A HA -0.141 4.231 4.320 0.087 0.000 0.217 217 A C 2.135 179.822 177.584 0.171 0.000 1.181 217 A CA 0.910 53.005 52.037 0.097 0.000 0.623 217 A CB -0.586 18.464 19.000 0.084 0.000 0.818 217 A HN 0.128 nan 8.150 nan 0.000 0.443 218 L N -0.431 120.925 121.223 0.222 0.000 2.046 218 L HA -0.080 4.312 4.340 0.087 0.000 0.208 218 L C 2.941 180.115 176.870 0.507 0.000 1.077 218 L CA 1.905 57.005 54.840 0.433 0.000 0.747 218 L CB -1.136 41.159 42.059 0.392 0.000 0.896 218 L HN 0.402 nan 8.230 nan 0.000 0.432 219 A N -1.459 121.529 122.820 0.280 0.000 1.930 219 A HA -0.181 4.191 4.320 0.087 0.000 0.217 219 A C 2.294 179.960 177.584 0.135 0.000 1.175 219 A CA 1.357 53.502 52.037 0.180 0.000 0.627 219 A CB -0.423 18.572 19.000 -0.009 0.000 0.815 219 A HN 0.401 nan 8.150 nan 0.000 0.443 220 E N 0.162 120.425 120.200 0.105 0.000 2.077 220 E HA -0.152 4.250 4.350 0.087 0.000 0.193 220 E C 1.908 178.532 176.600 0.040 0.000 0.989 220 E CA 1.195 57.632 56.400 0.062 0.000 0.800 220 E CB -0.206 29.527 29.700 0.056 0.000 0.746 220 E HN 0.704 nan 8.360 nan 0.000 0.452 221 I N -0.182 120.421 120.570 0.055 0.000 2.233 221 I HA -0.083 4.139 4.170 0.087 0.000 0.243 221 I C 1.089 177.071 176.117 -0.226 0.000 1.093 221 I CA 0.906 62.163 61.300 -0.072 0.000 1.380 221 I CB -0.181 37.788 38.000 -0.052 0.000 1.067 221 I HN 0.178 nan 8.210 nan 0.000 0.413 222 G N 1.020 109.722 108.800 -0.163 0.000 3.322 222 G HA2 -0.152 3.860 3.960 0.087 0.000 0.686 222 G HA3 -0.152 3.860 3.960 0.087 0.000 0.686 222 G C -0.877 173.671 174.900 -0.586 0.000 1.015 222 G CA -0.849 44.151 45.100 -0.167 0.000 0.826 222 G HN 0.065 nan 8.290 nan 0.000 0.538 223 F N 0.484 120.350 119.950 -0.140 0.000 2.643 223 F HA 0.533 5.112 4.527 0.087 0.000 0.314 223 F C 0.969 176.495 175.800 -0.457 0.000 1.096 223 F CA -0.971 56.772 58.000 -0.428 0.000 0.953 223 F CB 1.594 40.131 39.000 -0.773 0.000 1.345 223 F HN 0.338 nan 8.300 nan 0.000 0.468 224 D N 0.372 120.573 120.400 -0.331 0.000 2.277 224 D HA 0.190 4.882 4.640 0.087 0.000 0.208 224 D C 0.631 176.510 176.300 -0.701 0.000 0.962 224 D CA 0.882 54.562 54.000 -0.533 0.000 0.865 224 D CB 0.435 40.666 40.800 -0.948 0.000 0.939 224 D HN 0.589 nan 8.370 nan 0.000 0.510 225 G N -0.731 107.360 108.800 -1.182 0.000 2.677 225 G HA2 0.475 4.487 3.960 0.087 0.000 0.291 225 G HA3 0.475 4.487 3.960 0.087 0.000 0.291 225 G C -2.033 172.024 174.900 -1.405 0.000 1.435 225 G CA -0.706 43.377 45.100 -1.696 0.000 0.826 225 G HN -0.089 nan 8.290 nan 0.000 0.491 226 Y N 0.056 120.025 120.300 -0.551 0.000 2.338 226 Y HA 0.676 5.278 4.550 0.087 0.000 0.333 226 Y C 0.542 176.374 175.900 -0.113 0.000 0.968 226 Y CA -0.682 57.267 58.100 -0.251 0.000 1.123 226 Y CB 2.281 40.666 38.460 -0.126 0.000 1.165 226 Y HN 0.806 nan 8.280 nan 0.000 0.452 227 A N 2.358 125.181 122.820 0.005 0.000 2.303 227 A HA 0.758 5.130 4.320 0.087 0.000 0.317 227 A C -0.958 176.556 177.584 -0.116 0.000 1.149 227 A CA -0.706 51.304 52.037 -0.046 0.000 0.822 227 A CB 0.758 19.673 19.000 -0.141 0.000 1.131 227 A HN 0.536 nan 8.150 nan 0.000 0.493 228 V N 2.682 122.493 119.914 -0.172 0.000 2.318 228 V HA 0.522 4.694 4.120 0.087 0.000 0.271 228 V C 0.981 176.952 176.094 -0.204 0.000 1.030 228 V CA 0.252 62.459 62.300 -0.154 0.000 0.844 228 V CB 0.568 32.309 31.823 -0.136 0.000 1.015 228 V HN 1.109 nan 8.190 nan 0.000 0.460 229 G N 2.589 111.283 108.800 -0.177 0.000 2.531 229 G HA2 0.563 4.575 3.960 0.087 0.000 0.313 229 G HA3 0.563 4.575 3.960 0.087 0.000 0.313 229 G C 0.899 175.709 174.900 -0.149 0.000 1.238 229 G CA -0.039 44.945 45.100 -0.193 0.000 0.994 229 G HN 1.467 nan 8.290 nan 0.000 0.493 230 G N -1.920 106.790 108.800 -0.150 0.000 2.162 230 G HA2 -0.228 3.784 3.960 0.087 0.000 0.260 230 G HA3 -0.228 3.784 3.960 0.087 0.000 0.260 230 G C 0.310 175.134 174.900 -0.127 0.000 0.976 230 G CA 0.805 45.840 45.100 -0.109 0.000 0.655 230 G HN 0.590 nan 8.290 nan 0.000 0.533 231 L N -1.426 119.703 121.223 -0.157 0.000 2.298 231 L HA 0.708 5.100 4.340 0.087 0.000 0.268 231 L C 1.584 178.360 176.870 -0.157 0.000 1.010 231 L CA -0.594 54.145 54.840 -0.168 0.000 0.812 231 L CB 1.542 43.513 42.059 -0.147 0.000 1.331 231 L HN 1.195 nan 8.230 nan 0.000 0.450 232 A N 0.431 123.161 122.820 -0.151 0.000 2.869 232 A HA -0.126 4.246 4.320 0.087 0.000 0.280 232 A C 0.372 177.898 177.584 -0.096 0.000 1.458 232 A CA 0.771 52.744 52.037 -0.107 0.000 0.776 232 A CB -2.296 16.661 19.000 -0.071 0.000 1.028 232 A HN 0.933 nan 8.150 nan 0.000 0.547 233 V N -4.267 115.577 119.914 -0.116 0.000 3.176 233 V HA 0.676 4.848 4.120 0.087 0.000 0.332 233 V C 1.344 177.445 176.094 0.013 0.000 1.414 233 V CA 0.593 62.875 62.300 -0.031 0.000 1.133 233 V CB -0.176 31.652 31.823 0.008 0.000 1.088 233 V HN 2.424 nan 8.190 nan 0.000 0.473 234 G N 1.651 110.418 108.800 -0.056 0.000 2.141 234 G HA2 -0.191 3.821 3.960 0.087 0.000 0.164 234 G HA3 -0.191 3.821 3.960 0.087 0.000 0.164 234 G C 0.581 175.437 174.900 -0.074 0.000 1.009 234 G CA 0.299 45.407 45.100 0.013 0.000 0.677 234 G HN 0.711 nan 8.290 nan 0.000 0.508 235 E N 0.905 120.852 120.200 -0.423 0.000 2.400 235 E HA 0.405 4.807 4.350 0.087 0.000 0.195 235 E C 1.154 177.605 176.600 -0.248 0.000 1.012 235 E CA 1.075 57.098 56.400 -0.628 0.000 0.875 235 E CB 0.192 29.301 29.700 -0.985 0.000 0.859 235 E HN 1.996 nan 8.360 nan 0.000 0.498 236 G N 1.936 110.624 108.800 -0.187 0.000 2.719 236 G HA2 -0.290 3.722 3.960 0.087 0.000 0.686 236 G HA3 -0.290 3.722 3.960 0.087 0.000 0.686 236 G C 0.139 174.905 174.900 -0.225 0.000 1.201 236 G CA 0.056 45.066 45.100 -0.150 0.000 0.768 236 G HN 0.204 nan 8.290 nan 0.000 0.629 237 Q N 0.121 119.759 119.800 -0.270 0.000 2.096 237 Q HA -0.174 4.218 4.340 0.087 0.000 0.204 237 Q C 2.009 177.674 176.000 -0.558 0.000 0.982 237 Q CA 2.464 57.962 55.803 -0.508 0.000 0.850 237 Q CB -0.132 28.273 28.738 -0.555 0.000 0.901 237 Q HN 0.685 nan 8.270 nan 0.000 0.422 238 D N 0.229 120.446 120.400 -0.304 0.000 2.106 238 D HA -0.203 4.489 4.640 0.087 0.000 0.191 238 D C 1.749 177.990 176.300 -0.098 0.000 0.997 238 D CA 1.639 55.549 54.000 -0.150 0.000 0.834 238 D CB -0.209 40.546 40.800 -0.075 0.000 0.956 238 D HN 0.318 nan 8.370 nan 0.000 0.448 239 E N 0.046 120.171 120.200 -0.125 0.000 2.072 239 E HA -0.127 4.275 4.350 0.087 0.000 0.191 239 E C 2.045 178.559 176.600 -0.144 0.000 0.985 239 E CA 0.735 57.067 56.400 -0.114 0.000 0.801 239 E CB -0.256 29.360 29.700 -0.141 0.000 0.750 239 E HN 0.269 nan 8.360 nan 0.000 0.452 240 M N -0.759 118.727 119.600 -0.191 0.000 2.080 240 M HA -0.167 4.365 4.480 0.087 0.000 0.260 240 M C 1.349 177.661 176.300 0.020 0.000 1.068 240 M CA 1.528 56.741 55.300 -0.146 0.000 1.109 240 M CB -0.152 32.342 32.600 -0.177 0.000 1.342 240 M HN 0.127 nan 8.290 nan 0.000 0.405 241 F N 0.325 120.214 119.950 -0.102 0.000 2.171 241 F HA -0.125 4.454 4.527 0.086 0.000 0.300 241 F C 2.661 178.374 175.800 -0.145 0.000 1.090 241 F CA 1.395 59.343 58.000 -0.088 0.000 1.293 241 F CB -1.313 37.664 39.000 -0.039 0.000 1.013 241 F HN 0.273 nan 8.300 nan 0.000 0.486 242 R N 0.321 120.847 120.500 0.044 0.000 2.081 242 R HA -0.123 4.269 4.340 0.087 0.000 0.235 242 R C 2.107 178.178 176.300 -0.383 0.000 1.131 242 R CA 1.562 57.620 56.100 -0.070 0.000 0.960 242 R CB -0.377 29.918 30.300 -0.008 0.000 0.856 242 R HN 0.130 nan 8.270 nan 0.000 0.436 243 V N 1.315 120.954 119.914 -0.459 0.000 2.358 243 V HA -0.223 3.949 4.120 0.087 0.000 0.246 243 V C 2.353 177.925 176.094 -0.870 0.000 1.047 243 V CA 1.519 63.270 62.300 -0.914 0.000 1.035 243 V CB -0.379 31.190 31.823 -0.424 0.000 0.658 243 V HN 0.336 nan 8.190 nan 0.000 0.452 244 L N -0.250 120.738 121.223 -0.390 0.000 2.083 244 L HA -0.182 4.210 4.340 0.087 0.000 0.209 244 L C 2.439 179.158 176.870 -0.251 0.000 1.083 244 L CA 1.468 56.162 54.840 -0.243 0.000 0.752 244 L CB -0.806 41.211 42.059 -0.069 0.000 0.899 244 L HN 0.339 nan 8.230 nan 0.000 0.433 245 D N 0.468 120.719 120.400 -0.248 0.000 2.133 245 D HA -0.235 4.457 4.640 0.087 0.000 0.192 245 D C 1.850 178.118 176.300 -0.053 0.000 1.001 245 D CA 1.893 55.817 54.000 -0.127 0.000 0.844 245 D CB -0.200 40.562 40.800 -0.062 0.000 0.944 245 D HN 0.497 nan 8.370 nan 0.000 0.447 246 F N -0.583 119.363 119.950 -0.007 0.000 2.714 246 F HA 0.375 4.955 4.527 0.087 0.000 0.294 246 F C 2.059 177.839 175.800 -0.033 0.000 1.120 246 F CA -0.167 57.824 58.000 -0.015 0.000 1.398 246 F CB -0.429 38.568 39.000 -0.004 0.000 1.120 246 F HN -0.250 nan 8.300 nan 0.000 0.589 247 S N 0.939 116.657 115.700 0.030 0.000 2.388 247 S HA -0.033 4.489 4.470 0.087 0.000 0.223 247 S C 2.151 176.719 174.600 -0.054 0.000 1.034 247 S CA 1.097 59.334 58.200 0.062 0.000 0.963 247 S CB -0.471 62.688 63.200 -0.067 0.000 0.827 247 S HN 0.248 nan 8.310 nan 0.000 0.481 248 V N 2.850 122.692 119.914 -0.120 0.000 2.407 248 V HA -0.079 4.093 4.120 0.087 0.000 0.248 248 V C -0.956 175.011 176.094 -0.212 0.000 1.055 248 V CA 1.562 63.734 62.300 -0.214 0.000 1.049 248 V CB -1.843 29.874 31.823 -0.177 0.000 0.662 248 V HN 0.324 nan 8.190 nan 0.000 0.455 249 P HA -0.095 nan 4.420 nan 0.000 0.225 249 P C 1.726 178.988 177.300 -0.062 0.000 1.148 249 P CA 1.296 64.367 63.100 -0.049 0.000 0.779 249 P CB -0.114 31.589 31.700 0.005 0.000 0.780 250 M N -1.887 117.671 119.600 -0.069 0.000 2.419 250 M HA -0.013 4.519 4.480 0.087 0.000 0.264 250 M C 0.727 176.940 176.300 -0.146 0.000 1.082 250 M CA 0.845 56.103 55.300 -0.070 0.000 1.119 250 M CB -0.478 32.105 32.600 -0.029 0.000 1.398 250 M HN -0.100 nan 8.290 nan 0.000 0.453 251 L N 0.498 121.580 121.223 -0.234 0.000 2.418 251 L HA 0.264 4.656 4.340 0.087 0.000 0.265 251 L C -2.089 174.620 176.870 -0.268 0.000 1.143 251 L CA -2.203 52.421 54.840 -0.360 0.000 0.809 251 L CB -0.412 41.369 42.059 -0.463 0.000 1.124 251 L HN -0.249 nan 8.230 nan 0.000 0.456 252 P HA -0.076 nan 4.420 nan 0.000 0.263 252 P C 0.174 177.540 177.300 0.109 0.000 1.195 252 P CA 0.209 63.225 63.100 -0.140 0.000 0.762 252 P CB 0.474 32.047 31.700 -0.212 0.000 0.799 253 D N 2.928 123.398 120.400 0.117 0.000 2.178 253 D HA -0.176 4.516 4.640 0.087 0.000 0.202 253 D C 0.691 177.095 176.300 0.173 0.000 0.974 253 D CA 1.126 55.239 54.000 0.189 0.000 0.841 253 D CB 0.125 40.993 40.800 0.114 0.000 0.953 253 D HN 0.426 nan 8.370 nan 0.000 0.478 254 D N -0.127 120.366 120.400 0.155 0.000 2.324 254 D HA -0.023 4.669 4.640 0.087 0.000 0.235 254 D C 0.038 176.550 176.300 0.354 0.000 1.095 254 D CA 0.175 54.289 54.000 0.190 0.000 0.871 254 D CB 0.084 40.959 40.800 0.125 0.000 0.906 254 D HN -0.030 nan 8.370 nan 0.000 0.522 255 K N 0.520 121.092 120.400 0.287 0.000 2.340 255 K HA 0.483 4.855 4.320 0.087 0.000 0.244 255 K C -2.820 173.613 176.600 -0.278 0.000 0.973 255 K CA -2.429 53.976 56.287 0.196 0.000 0.828 255 K CB 1.446 34.116 32.500 0.285 0.000 1.226 255 K HN -0.122 nan 8.250 nan 0.000 0.437 256 P HA 0.062 nan 4.420 nan 0.000 0.269 256 P C -0.836 176.256 177.300 -0.347 0.000 1.209 256 P CA 0.208 62.774 63.100 -0.891 0.000 0.776 256 P CB 0.333 31.612 31.700 -0.702 0.000 0.876 257 H N 1.914 120.886 119.070 -0.163 0.000 2.551 257 H HA 0.278 4.886 4.556 0.087 0.000 0.321 257 H C -0.919 174.392 175.328 -0.027 0.000 1.028 257 H CA -0.378 55.631 56.048 -0.065 0.000 1.215 257 H CB 0.365 30.094 29.762 -0.054 0.000 1.414 257 H HN 0.380 nan 8.280 nan 0.000 0.480 258 Y N 4.425 124.718 120.300 -0.012 0.000 2.334 258 Y HA 0.311 4.913 4.550 0.088 0.000 0.336 258 Y C -1.338 174.485 175.900 -0.130 0.000 0.960 258 Y CA -1.624 56.428 58.100 -0.080 0.000 1.164 258 Y CB 0.675 39.188 38.460 0.089 0.000 1.155 258 Y HN 0.473 nan 8.280 nan 0.000 0.478 259 L N 7.837 128.965 121.223 -0.159 0.000 2.268 259 L HA 0.426 4.818 4.340 0.087 0.000 0.289 259 L C -0.582 176.115 176.870 -0.289 0.000 1.064 259 L CA -0.261 54.430 54.840 -0.249 0.000 0.824 259 L CB 0.135 42.102 42.059 -0.154 0.000 1.202 259 L HN 0.694 nan 8.230 nan 0.000 0.433 260 M N 4.926 124.188 119.600 -0.563 0.000 2.238 260 M HA 0.246 4.778 4.480 0.087 0.000 0.350 260 M C 1.422 177.608 176.300 -0.189 0.000 1.321 260 M CA 0.717 55.708 55.300 -0.514 0.000 1.097 260 M CB 0.315 32.555 32.600 -0.601 0.000 1.713 260 M HN 0.864 nan 8.290 nan 0.000 0.455 261 G N 2.425 111.193 108.800 -0.054 0.000 2.168 261 G HA2 -0.193 3.819 3.960 0.087 0.000 0.257 261 G HA3 -0.193 3.819 3.960 0.087 0.000 0.257 261 G C -0.219 174.730 174.900 0.082 0.000 0.997 261 G CA -0.113 44.983 45.100 -0.007 0.000 0.708 261 G HN 0.585 nan 8.290 nan 0.000 0.520 262 V N -0.206 119.821 119.914 0.188 0.000 2.398 262 V HA 0.752 4.924 4.120 0.087 0.000 0.286 262 V C 1.114 177.434 176.094 0.377 0.000 1.026 262 V CA 0.638 63.093 62.300 0.258 0.000 0.868 262 V CB 1.431 33.436 31.823 0.303 0.000 0.982 262 V HN 0.680 nan 8.190 nan 0.000 0.443 263 G N 3.681 112.651 108.800 0.282 0.000 2.801 263 G HA2 0.093 4.105 3.960 0.087 0.000 0.191 263 G HA3 0.093 4.105 3.960 0.087 0.000 0.191 263 G C 0.400 175.404 174.900 0.172 0.000 1.223 263 G CA -0.347 44.947 45.100 0.323 0.000 0.904 263 G HN 0.520 nan 8.290 nan 0.000 0.789 264 K N 1.411 121.887 120.400 0.125 0.000 2.511 264 K HA 0.077 4.449 4.320 0.087 0.000 0.280 264 K C -1.580 174.941 176.600 -0.133 0.000 1.008 264 K CA -0.915 55.414 56.287 0.070 0.000 1.050 264 K CB 1.423 34.016 32.500 0.155 0.000 0.889 264 K HN -0.073 nan 8.250 nan 0.000 0.484 265 P HA -0.276 nan 4.420 nan 0.000 0.217 265 P C 0.646 177.763 177.300 -0.305 0.000 1.162 265 P CA 1.630 64.403 63.100 -0.545 0.000 0.901 265 P CB 0.102 31.474 31.700 -0.546 0.000 0.793 266 D N -1.313 119.065 120.400 -0.037 0.000 2.219 266 D HA -0.170 4.522 4.640 0.087 0.000 0.205 266 D C 1.233 177.689 176.300 0.260 0.000 0.970 266 D CA 1.085 55.234 54.000 0.249 0.000 0.851 266 D CB -1.026 40.090 40.800 0.527 0.000 0.943 266 D HN 0.150 nan 8.370 nan 0.000 0.488 267 D N 0.985 121.492 120.400 0.178 0.000 2.117 267 D HA -0.045 4.647 4.640 0.087 0.000 0.198 267 D C 2.411 178.843 176.300 0.220 0.000 0.982 267 D CA 0.456 54.609 54.000 0.255 0.000 0.828 267 D CB -0.181 40.708 40.800 0.148 0.000 0.967 267 D HN 0.326 nan 8.370 nan 0.000 0.464 268 I N 0.512 121.031 120.570 -0.086 0.000 2.142 268 I HA -0.242 3.980 4.170 0.087 0.000 0.240 268 I C 2.447 178.449 176.117 -0.193 0.000 1.078 268 I CA 0.674 61.710 61.300 -0.440 0.000 1.343 268 I CB -0.248 37.270 38.000 -0.804 0.000 1.046 268 I HN -0.109 nan 8.210 nan 0.000 0.405 269 V N 1.145 120.975 119.914 -0.140 0.000 2.287 269 V HA -0.268 3.904 4.120 0.087 0.000 0.248 269 V C 2.593 178.758 176.094 0.119 0.000 1.053 269 V CA 2.334 64.643 62.300 0.014 0.000 1.027 269 V CB -1.512 30.234 31.823 -0.129 0.000 0.646 269 V HN 0.603 nan 8.190 nan 0.000 0.447 270 G N -0.746 108.098 108.800 0.074 0.000 2.422 270 G HA2 -0.172 3.840 3.960 0.087 0.000 0.218 270 G HA3 -0.172 3.840 3.960 0.087 0.000 0.218 270 G C 1.727 176.452 174.900 -0.291 0.000 1.146 270 G CA 1.024 45.961 45.100 -0.272 0.000 0.769 270 G HN 0.627 nan 8.290 nan 0.000 0.547 271 A N 0.096 122.967 122.820 0.085 0.000 1.930 271 A HA 0.149 4.521 4.320 0.087 0.000 0.217 271 A C 2.567 180.304 177.584 0.254 0.000 1.175 271 A CA 1.584 53.759 52.037 0.229 0.000 0.627 271 A CB -0.510 18.828 19.000 0.564 0.000 0.815 271 A HN 0.227 nan 8.150 nan 0.000 0.443 272 V N 0.342 120.462 119.914 0.344 0.000 2.407 272 V HA -0.256 3.916 4.120 0.087 0.000 0.248 272 V C 2.262 178.491 176.094 0.225 0.000 1.055 272 V CA 2.182 64.644 62.300 0.270 0.000 1.049 272 V CB -0.826 31.100 31.823 0.172 0.000 0.662 272 V HN 0.634 nan 8.190 nan 0.000 0.455 273 E N -0.216 120.171 120.200 0.311 0.000 2.333 273 E HA -0.160 4.242 4.350 0.087 0.000 0.198 273 E C 1.897 178.558 176.600 0.102 0.000 1.007 273 E CA 0.674 57.247 56.400 0.290 0.000 0.845 273 E CB -0.062 29.698 29.700 0.099 0.000 0.766 273 E HN 0.550 nan 8.360 nan 0.000 0.507 274 R N -0.875 119.650 120.500 0.042 0.000 2.468 274 R HA 0.154 4.546 4.340 0.087 0.000 0.280 274 R C 0.706 177.033 176.300 0.045 0.000 0.963 274 R CA 0.422 56.523 56.100 0.002 0.000 1.083 274 R CB 1.113 31.366 30.300 -0.078 0.000 1.200 274 R HN 0.171 nan 8.270 nan 0.000 0.541 275 G N 0.867 109.726 108.800 0.097 0.000 2.144 275 G HA2 -0.185 3.827 3.960 0.087 0.000 0.218 275 G HA3 -0.185 3.827 3.960 0.087 0.000 0.218 275 G C 0.033 175.055 174.900 0.202 0.000 0.988 275 G CA -0.615 44.576 45.100 0.151 0.000 0.659 275 G HN 0.102 nan 8.290 nan 0.000 0.522 276 I N 1.569 122.215 120.570 0.127 0.000 2.428 276 I HA 0.315 4.537 4.170 0.087 0.000 0.289 276 I C 0.503 176.621 176.117 0.002 0.000 1.019 276 I CA -0.285 61.032 61.300 0.028 0.000 1.351 276 I CB 1.214 39.133 38.000 -0.135 0.000 1.412 276 I HN 0.046 nan 8.210 nan 0.000 0.513 277 D N 4.964 125.320 120.400 -0.073 0.000 2.423 277 D HA 0.194 4.886 4.640 0.087 0.000 0.212 277 D C 0.294 176.558 176.300 -0.060 0.000 1.060 277 D CA 0.738 54.717 54.000 -0.035 0.000 0.872 277 D CB 1.021 41.763 40.800 -0.097 0.000 1.012 277 D HN 0.404 nan 8.370 nan 0.000 0.503 278 M N 0.220 119.676 119.600 -0.241 0.000 2.446 278 M HA 0.436 4.968 4.480 0.087 0.000 0.294 278 M C -1.476 174.617 176.300 -0.345 0.000 1.158 278 M CA -0.589 54.610 55.300 -0.169 0.000 0.899 278 M CB 2.898 35.396 32.600 -0.171 0.000 1.687 278 M HN -0.308 nan 8.290 nan 0.000 0.455 279 F N 0.091 120.136 119.950 0.158 0.000 2.613 279 F HA 0.667 5.245 4.527 0.086 0.000 0.314 279 F C -0.830 174.978 175.800 0.014 0.000 1.075 279 F CA -0.834 57.312 58.000 0.242 0.000 0.945 279 F CB 2.019 41.236 39.000 0.362 0.000 1.310 279 F HN 0.634 nan 8.300 nan 0.000 0.467 280 D N -0.523 120.042 120.400 0.275 0.000 2.736 280 D HA 0.603 5.295 4.640 0.087 0.000 0.223 280 D C -1.696 174.695 176.300 0.152 0.000 1.231 280 D CA -0.412 53.542 54.000 -0.077 0.000 0.818 280 D CB 2.029 42.823 40.800 -0.010 0.000 1.587 280 D HN 0.829 nan 8.370 nan 0.000 0.463 281 C N 2.088 121.463 119.300 0.126 0.000 3.283 281 C HA 0.463 4.975 4.460 0.087 0.000 0.359 281 C C 0.668 175.748 174.990 0.149 0.000 1.160 281 C CA -0.159 58.988 59.018 0.216 0.000 1.232 281 C CB 1.065 29.018 27.740 0.355 0.000 1.571 281 C HN 0.918 nan 8.230 nan 0.000 0.522 282 V N 3.806 123.776 119.914 0.093 0.000 3.541 282 V HA 0.138 4.310 4.120 0.087 0.000 0.267 282 V C 1.716 177.843 176.094 0.056 0.000 1.213 282 V CA 1.173 63.507 62.300 0.056 0.000 1.149 282 V CB -0.800 31.051 31.823 0.047 0.000 0.822 282 V HN 0.878 nan 8.190 nan 0.000 0.462 283 L N 1.261 122.532 121.223 0.080 0.000 1.978 283 L HA -0.096 4.296 4.340 0.087 0.000 0.218 283 L C 0.559 177.495 176.870 0.110 0.000 1.075 283 L CA 2.865 57.777 54.840 0.119 0.000 0.767 283 L CB -1.211 40.956 42.059 0.180 0.000 0.890 283 L HN 0.344 nan 8.230 nan 0.000 0.434 284 P HA -0.171 nan 4.420 nan 0.000 0.215 284 P C 1.415 178.722 177.300 0.012 0.000 1.153 284 P CA 2.511 65.546 63.100 -0.108 0.000 0.853 284 P CB -0.254 31.041 31.700 -0.675 0.000 0.788 285 T N -0.521 114.026 114.554 -0.011 0.000 2.770 285 T HA -0.104 4.298 4.350 0.087 0.000 0.258 285 T C 2.028 176.733 174.700 0.009 0.000 1.039 285 T CA 1.090 63.189 62.100 -0.001 0.000 1.143 285 T CB -0.871 67.987 68.868 -0.015 0.000 0.866 285 T HN 0.137 nan 8.240 nan 0.000 0.428 286 R N 2.175 122.687 120.500 0.019 0.000 2.083 286 R HA 0.066 4.458 4.340 0.087 0.000 0.237 286 R C 2.414 178.726 176.300 0.019 0.000 1.137 286 R CA 2.059 58.170 56.100 0.019 0.000 0.951 286 R CB -1.338 28.981 30.300 0.032 0.000 0.851 286 R HN 0.325 nan 8.270 nan 0.000 0.434 287 S N 0.294 116.021 115.700 0.046 0.000 2.368 287 S HA -0.028 4.494 4.470 0.087 0.000 0.225 287 S C 2.029 176.614 174.600 -0.025 0.000 1.030 287 S CA 1.175 59.386 58.200 0.018 0.000 0.999 287 S CB -0.855 62.378 63.200 0.054 0.000 0.844 287 S HN 0.708 nan 8.310 nan 0.000 0.459 288 G N 2.079 110.881 108.800 0.004 0.000 2.491 288 G HA2 -0.257 3.755 3.960 0.087 0.000 0.218 288 G HA3 -0.257 3.755 3.960 0.087 0.000 0.218 288 G C 1.416 176.291 174.900 -0.042 0.000 1.180 288 G CA 0.644 45.735 45.100 -0.014 0.000 0.774 288 G HN 0.443 nan 8.290 nan 0.000 0.562 289 R N 0.209 120.688 120.500 -0.035 0.000 2.189 289 R HA -0.022 4.370 4.340 0.087 0.000 0.223 289 R C 2.054 178.320 176.300 -0.057 0.000 1.092 289 R CA 0.913 56.983 56.100 -0.050 0.000 0.989 289 R CB -0.298 29.978 30.300 -0.040 0.000 0.876 289 R HN 0.371 nan 8.270 nan 0.000 0.457 290 N N -0.014 118.656 118.700 -0.049 0.000 2.412 290 N HA -0.070 4.722 4.740 0.087 0.000 0.184 290 N C 0.809 176.279 175.510 -0.068 0.000 1.101 290 N CA 1.063 54.082 53.050 -0.051 0.000 0.881 290 N CB 0.734 39.201 38.487 -0.034 0.000 0.969 290 N HN 0.349 nan 8.380 nan 0.000 0.459 291 G N 0.746 109.495 108.800 -0.086 0.000 2.184 291 G HA2 -0.238 3.774 3.960 0.087 0.000 0.206 291 G HA3 -0.238 3.774 3.960 0.087 0.000 0.206 291 G C -0.143 174.677 174.900 -0.132 0.000 0.995 291 G CA 0.042 45.081 45.100 -0.101 0.000 0.651 291 G HN 0.537 nan 8.290 nan 0.000 0.511 292 Q N 0.683 120.388 119.800 -0.158 0.000 2.274 292 Q HA 0.682 5.074 4.340 0.087 0.000 0.256 292 Q C -0.051 175.736 176.000 -0.354 0.000 0.927 292 Q CA 0.185 55.828 55.803 -0.266 0.000 0.939 292 Q CB 0.997 29.557 28.738 -0.297 0.000 1.201 292 Q HN 0.873 nan 8.270 nan 0.000 0.426 293 A N 4.350 126.930 122.820 -0.400 0.000 2.331 293 A HA 0.617 4.989 4.320 0.087 0.000 0.320 293 A C -1.374 175.918 177.584 -0.487 0.000 1.138 293 A CA -0.624 51.221 52.037 -0.321 0.000 0.790 293 A CB 0.611 19.456 19.000 -0.259 0.000 1.206 293 A HN 0.733 nan 8.150 nan 0.000 0.470 294 F N 1.578 121.408 119.950 -0.200 0.000 2.396 294 F HA 0.559 5.136 4.527 0.083 0.000 0.343 294 F C 1.317 176.562 175.800 -0.925 0.000 1.104 294 F CA 0.584 58.238 58.000 -0.577 0.000 1.161 294 F CB 1.911 40.461 39.000 -0.749 0.000 1.146 294 F HN 0.655 nan 8.300 nan 0.000 0.522 295 T N -1.676 112.483 114.554 -0.660 0.000 2.883 295 T HA 0.261 4.663 4.350 0.087 0.000 0.296 295 T C 0.124 174.705 174.700 -0.198 0.000 1.117 295 T CA -0.903 60.911 62.100 -0.478 0.000 1.006 295 T CB 0.759 69.520 68.868 -0.177 0.000 1.191 295 T HN 0.587 nan 8.240 nan 0.000 0.508 296 W N 0.284 121.795 121.300 0.352 0.000 2.525 296 W HA 0.125 4.837 4.660 0.086 0.000 0.259 296 W C 1.159 177.779 176.519 0.167 0.000 1.253 296 W CA 0.138 57.743 57.345 0.434 0.000 1.262 296 W CB 0.116 29.791 29.460 0.358 0.000 1.122 296 W HN 0.651 nan 8.180 nan 0.000 0.607 297 D N -0.345 120.155 120.400 0.166 0.000 2.358 297 D HA 0.271 4.963 4.640 0.087 0.000 0.224 297 D C 1.035 177.172 176.300 -0.272 0.000 1.123 297 D CA 0.881 54.868 54.000 -0.021 0.000 0.833 297 D CB 0.150 40.960 40.800 0.017 0.000 0.946 297 D HN 0.104 nan 8.370 nan 0.000 0.505 298 G N 2.303 110.777 108.800 -0.542 0.000 2.555 298 G HA2 -0.137 3.875 3.960 0.087 0.000 0.686 298 G HA3 -0.137 3.875 3.960 0.087 0.000 0.686 298 G C -3.061 171.535 174.900 -0.507 0.000 1.275 298 G CA -1.136 43.386 45.100 -0.964 0.000 0.871 298 G HN -0.130 nan 8.290 nan 0.000 0.603 299 P HA 0.590 nan 4.420 nan 0.000 0.277 299 P C 0.055 177.199 177.300 -0.261 0.000 1.240 299 P CA -0.226 62.660 63.100 -0.357 0.000 0.798 299 P CB 1.078 32.553 31.700 -0.374 0.000 0.979 300 I N -1.564 118.849 120.570 -0.263 0.000 2.730 300 I HA 0.541 4.763 4.170 0.087 0.000 0.298 300 I C -0.624 175.409 176.117 -0.140 0.000 1.089 300 I CA -1.120 60.104 61.300 -0.127 0.000 1.041 300 I CB 2.411 40.339 38.000 -0.120 0.000 1.235 300 I HN 0.090 nan 8.210 nan 0.000 0.423 301 N N 3.931 122.641 118.700 0.017 0.000 2.485 301 N HA 0.224 5.016 4.740 0.087 0.000 0.243 301 N C 0.410 175.982 175.510 0.105 0.000 0.987 301 N CA -0.347 52.705 53.050 0.004 0.000 0.940 301 N CB 1.517 40.022 38.487 0.029 0.000 1.122 301 N HN 0.861 nan 8.380 nan 0.000 0.509 302 I N 4.302 124.824 120.570 -0.082 0.000 2.657 302 I HA -0.136 4.086 4.170 0.087 0.000 0.261 302 I C 1.938 178.208 176.117 0.256 0.000 1.212 302 I CA 1.128 62.373 61.300 -0.092 0.000 1.453 302 I CB 0.072 37.950 38.000 -0.203 0.000 1.092 302 I HN 0.489 nan 8.210 nan 0.000 0.452 303 R N 0.218 120.812 120.500 0.156 0.000 2.189 303 R HA -0.054 4.338 4.340 0.087 0.000 0.218 303 R C 0.976 177.455 176.300 0.299 0.000 1.074 303 R CA 0.067 56.236 56.100 0.115 0.000 0.991 303 R CB -0.555 29.745 30.300 0.001 0.000 0.883 303 R HN 0.371 nan 8.270 nan 0.000 0.457 304 N N 1.164 120.065 118.700 0.335 0.000 2.412 304 N HA -0.082 4.710 4.740 0.087 0.000 0.258 304 N C 0.778 176.380 175.510 0.153 0.000 1.236 304 N CA 0.366 53.531 53.050 0.191 0.000 0.882 304 N CB 1.124 39.652 38.487 0.068 0.000 1.066 304 N HN 0.122 nan 8.380 nan 0.000 0.465 305 A N 4.958 127.820 122.820 0.069 0.000 2.032 305 A HA -0.230 4.142 4.320 0.087 0.000 0.221 305 A C 1.998 179.456 177.584 -0.211 0.000 1.165 305 A CA 1.742 53.772 52.037 -0.012 0.000 0.645 305 A CB -0.403 18.594 19.000 -0.004 0.000 0.807 305 A HN 0.919 nan 8.150 nan 0.000 0.453 306 R N -1.970 118.333 120.500 -0.330 0.000 2.293 306 R HA -0.044 4.348 4.340 0.087 0.000 0.219 306 R C 0.603 176.577 176.300 -0.543 0.000 1.091 306 R CA 1.573 57.391 56.100 -0.471 0.000 1.004 306 R CB -0.495 29.428 30.300 -0.628 0.000 0.865 306 R HN 0.406 nan 8.270 nan 0.000 0.469 307 F N 1.263 121.070 119.950 -0.238 0.000 2.695 307 F HA 0.214 4.796 4.527 0.091 0.000 0.303 307 F C 2.097 177.623 175.800 -0.456 0.000 1.091 307 F CA -0.010 57.831 58.000 -0.264 0.000 1.300 307 F CB 0.461 39.371 39.000 -0.151 0.000 1.071 307 F HN 0.109 nan 8.300 nan 0.000 0.578 308 S N 0.123 115.505 115.700 -0.529 0.000 2.419 308 S HA -0.190 4.332 4.470 0.087 0.000 0.235 308 S C 1.083 175.625 174.600 -0.096 0.000 1.019 308 S CA 1.510 59.448 58.200 -0.437 0.000 0.982 308 S CB -0.372 62.689 63.200 -0.232 0.000 0.789 308 S HN 0.569 nan 8.310 nan 0.000 0.490 309 E N 0.495 120.659 120.200 -0.060 0.000 2.876 309 E HA 0.204 4.606 4.350 0.087 0.000 0.208 309 E C -1.112 175.501 176.600 0.022 0.000 0.981 309 E CA -0.295 56.104 56.400 -0.002 0.000 1.174 309 E CB 0.349 30.042 29.700 -0.011 0.000 1.047 309 E HN 0.316 nan 8.360 nan 0.000 0.477 310 D N 1.478 121.908 120.400 0.051 0.000 2.336 310 D HA 0.094 4.786 4.640 0.087 0.000 0.249 310 D C 0.784 177.135 176.300 0.085 0.000 1.213 310 D CA -0.085 53.968 54.000 0.089 0.000 0.870 310 D CB 0.951 41.872 40.800 0.200 0.000 1.076 310 D HN 0.180 nan 8.370 nan 0.000 0.483 311 L N 3.002 124.262 121.223 0.062 0.000 2.554 311 L HA 0.052 4.444 4.340 0.087 0.000 0.226 311 L C 1.283 178.185 176.870 0.052 0.000 1.137 311 L CA 0.306 55.180 54.840 0.058 0.000 0.863 311 L CB -0.082 41.999 42.059 0.038 0.000 0.985 311 L HN 0.131 nan 8.230 nan 0.000 0.451 312 K N 1.240 121.671 120.400 0.051 0.000 2.219 312 K HA 0.172 4.544 4.320 0.087 0.000 0.258 312 K C -2.149 174.467 176.600 0.027 0.000 1.008 312 K CA -1.620 54.690 56.287 0.038 0.000 0.928 312 K CB 0.136 32.661 32.500 0.042 0.000 0.983 312 K HN -0.152 nan 8.250 nan 0.000 0.484 313 P HA -0.005 nan 4.420 nan 0.000 0.276 313 P C 0.623 177.881 177.300 -0.071 0.000 1.261 313 P CA -0.448 62.652 63.100 0.001 0.000 0.800 313 P CB 0.557 32.269 31.700 0.019 0.000 1.066 314 L N -0.162 120.961 121.223 -0.165 0.000 2.021 314 L HA -0.123 4.269 4.340 0.087 0.000 0.215 314 L C 1.197 177.920 176.870 -0.245 0.000 1.074 314 L CA 1.994 56.630 54.840 -0.340 0.000 0.760 314 L CB -1.124 40.509 42.059 -0.711 0.000 0.889 314 L HN 0.551 nan 8.230 nan 0.000 0.433 315 D N -2.394 117.934 120.400 -0.120 0.000 2.780 315 D HA 0.100 4.792 4.640 0.087 0.000 0.242 315 D C 0.836 177.201 176.300 0.107 0.000 1.135 315 D CA 0.529 54.556 54.000 0.045 0.000 0.859 315 D CB 1.982 42.888 40.800 0.177 0.000 1.530 315 D HN 0.075 nan 8.370 nan 0.000 0.493 316 S N 2.527 118.304 115.700 0.129 0.000 2.442 316 S HA -0.115 4.407 4.470 0.087 0.000 0.236 316 S C 1.047 175.711 174.600 0.107 0.000 1.007 316 S CA 0.961 59.225 58.200 0.106 0.000 0.965 316 S CB 0.009 63.269 63.200 0.100 0.000 0.773 316 S HN 0.609 nan 8.310 nan 0.000 0.504 317 E N -0.421 119.896 120.200 0.197 0.000 2.434 317 E HA 0.210 4.612 4.350 0.087 0.000 0.207 317 E C 0.451 177.062 176.600 0.018 0.000 0.929 317 E CA -0.265 56.204 56.400 0.115 0.000 1.001 317 E CB 0.516 30.334 29.700 0.198 0.000 1.016 317 E HN 0.499 nan 8.360 nan 0.000 0.502 318 C N 2.015 121.465 119.300 0.250 0.000 2.465 318 C HA -0.068 4.444 4.460 0.087 0.000 0.402 318 C C 0.999 176.024 174.990 0.059 0.000 1.448 318 C CA 0.190 59.378 59.018 0.283 0.000 1.589 318 C CB -0.520 27.479 27.740 0.431 0.000 2.535 318 C HN 0.415 nan 8.230 nan 0.000 0.600 319 H N 3.505 122.716 119.070 0.234 0.000 2.519 319 H HA 0.193 4.799 4.556 0.083 0.000 0.289 319 H C 1.211 176.635 175.328 0.160 0.000 1.040 319 H CA 0.198 56.345 56.048 0.165 0.000 1.165 319 H CB -0.448 29.390 29.762 0.127 0.000 1.462 319 H HN 0.874 nan 8.280 nan 0.000 0.555 320 C N -0.466 119.003 119.300 0.283 0.000 2.656 320 C HA 0.583 5.095 4.460 0.087 0.000 0.391 320 C C 2.250 177.372 174.990 0.220 0.000 1.300 320 C CA -0.063 59.105 59.018 0.250 0.000 2.302 320 C CB 0.448 28.355 27.740 0.277 0.000 2.655 320 C HN 0.536 nan 8.230 nan 0.000 0.656 321 A N 2.099 125.045 122.820 0.208 0.000 1.978 321 A HA -0.025 4.347 4.320 0.087 0.000 0.220 321 A C 2.049 179.785 177.584 0.254 0.000 1.170 321 A CA 2.172 54.324 52.037 0.191 0.000 0.636 321 A CB -0.858 18.264 19.000 0.204 0.000 0.810 321 A HN 1.051 nan 8.150 nan 0.000 0.448 322 V N -1.187 118.942 119.914 0.357 0.000 2.358 322 V HA -0.281 3.891 4.120 0.087 0.000 0.246 322 V C 2.448 178.747 176.094 0.341 0.000 1.047 322 V CA 1.966 64.567 62.300 0.501 0.000 1.035 322 V CB -1.039 31.016 31.823 0.387 0.000 0.658 322 V HN 0.684 nan 8.190 nan 0.000 0.452 323 C N -0.449 118.987 119.300 0.226 0.000 2.481 323 C HA -0.049 4.463 4.460 0.087 0.000 0.275 323 C C 2.659 177.690 174.990 0.068 0.000 1.419 323 C CA 0.359 59.457 59.018 0.133 0.000 1.773 323 C CB -1.122 26.700 27.740 0.137 0.000 1.862 323 C HN 0.593 nan 8.230 nan 0.000 0.530 324 Q N 0.268 120.097 119.800 0.048 0.000 2.269 324 Q HA -0.026 4.366 4.340 0.087 0.000 0.201 324 Q C 1.896 177.806 176.000 -0.149 0.000 0.946 324 Q CA 0.915 56.703 55.803 -0.026 0.000 0.877 324 Q CB 0.155 28.888 28.738 -0.009 0.000 0.963 324 Q HN 0.688 nan 8.270 nan 0.000 0.472 325 K N -1.449 118.784 120.400 -0.279 0.000 2.387 325 K HA 0.095 4.467 4.320 0.087 0.000 0.197 325 K C 0.261 176.414 176.600 -0.744 0.000 1.127 325 K CA 0.161 56.029 56.287 -0.699 0.000 0.950 325 K CB 0.863 32.508 32.500 -1.425 0.000 1.017 325 K HN 0.000 nan 8.250 nan 0.000 0.519 326 W N 2.047 123.377 121.300 0.049 0.000 2.706 326 W HA 0.326 5.011 4.660 0.042 0.000 0.346 326 W C 0.287 176.848 176.519 0.070 0.000 1.071 326 W CA -0.990 56.399 57.345 0.074 0.000 1.206 326 W CB 1.450 31.025 29.460 0.193 0.000 1.413 326 W HN -0.099 nan 8.180 nan 0.000 0.542 327 S N 0.759 116.651 115.700 0.320 0.000 2.672 327 S HA 0.413 4.935 4.470 0.087 0.000 0.276 327 S C 0.964 175.676 174.600 0.188 0.000 1.207 327 S CA -0.572 57.745 58.200 0.195 0.000 1.002 327 S CB 2.036 65.329 63.200 0.155 0.000 0.998 327 S HN 0.487 nan 8.310 nan 0.000 0.542 328 R N 0.579 121.129 120.500 0.084 0.000 2.096 328 R HA -0.074 4.318 4.340 0.087 0.000 0.235 328 R C 2.542 178.911 176.300 0.116 0.000 1.127 328 R CA 1.408 57.513 56.100 0.008 0.000 0.968 328 R CB -0.996 29.259 30.300 -0.076 0.000 0.861 328 R HN 0.825 nan 8.270 nan 0.000 0.440 329 A N 0.431 123.347 122.820 0.160 0.000 1.908 329 A HA -0.234 4.138 4.320 0.087 0.000 0.218 329 A C 1.968 179.730 177.584 0.297 0.000 1.181 329 A CA 1.309 53.463 52.037 0.195 0.000 0.627 329 A CB -0.685 18.404 19.000 0.148 0.000 0.818 329 A HN 0.431 nan 8.150 nan 0.000 0.445 330 Y N 0.452 120.851 120.300 0.164 0.000 2.163 330 Y HA -0.120 4.477 4.550 0.078 0.000 0.288 330 Y C 2.003 177.992 175.900 0.149 0.000 1.136 330 Y CA 1.478 59.688 58.100 0.183 0.000 1.147 330 Y CB -0.342 38.240 38.460 0.203 0.000 0.987 330 Y HN 0.265 nan 8.280 nan 0.000 0.509 331 I N -0.563 120.014 120.570 0.011 0.000 2.286 331 I HA -0.319 3.903 4.170 0.087 0.000 0.248 331 I C 2.419 178.468 176.117 -0.113 0.000 1.115 331 I CA 1.750 62.955 61.300 -0.160 0.000 1.392 331 I CB -0.615 37.334 38.000 -0.086 0.000 1.065 331 I HN 0.299 nan 8.210 nan 0.000 0.418 332 H N 0.523 119.554 119.070 -0.066 0.000 2.290 332 H HA -0.313 4.295 4.556 0.086 0.000 0.298 332 H C 2.387 177.695 175.328 -0.032 0.000 1.087 332 H CA 2.531 58.568 56.048 -0.019 0.000 1.291 332 H CB -0.246 29.568 29.762 0.086 0.000 1.369 332 H HN 0.416 nan 8.280 nan 0.000 0.492 333 H N -0.450 118.598 119.070 -0.038 0.000 2.290 333 H HA -0.113 4.494 4.556 0.085 0.000 0.298 333 H C 2.021 177.213 175.328 -0.227 0.000 1.087 333 H CA 1.947 57.929 56.048 -0.110 0.000 1.291 333 H CB -0.508 29.255 29.762 0.002 0.000 1.369 333 H HN 0.342 nan 8.280 nan 0.000 0.492 334 L N 0.290 121.154 121.223 -0.598 0.000 1.989 334 L HA -0.190 4.202 4.340 0.087 0.000 0.211 334 L C 2.484 179.091 176.870 -0.438 0.000 1.071 334 L CA 1.347 55.816 54.840 -0.619 0.000 0.749 334 L CB -0.925 40.788 42.059 -0.577 0.000 0.890 334 L HN 0.434 nan 8.230 nan 0.000 0.431 335 I N -0.621 119.743 120.570 -0.345 0.000 2.179 335 I HA -0.269 3.954 4.170 0.087 0.000 0.242 335 I C 2.566 178.525 176.117 -0.262 0.000 1.088 335 I CA 1.342 62.484 61.300 -0.262 0.000 1.357 335 I CB -1.029 36.844 38.000 -0.212 0.000 1.051 335 I HN 0.338 nan 8.210 nan 0.000 0.409 336 R N 0.538 120.844 120.500 -0.325 0.000 2.189 336 R HA -0.028 4.364 4.340 0.087 0.000 0.223 336 R C 1.972 178.134 176.300 -0.230 0.000 1.092 336 R CA 1.120 57.056 56.100 -0.273 0.000 0.989 336 R CB -0.193 29.903 30.300 -0.341 0.000 0.876 336 R HN 0.329 nan 8.270 nan 0.000 0.457 337 A N 0.081 122.715 122.820 -0.310 0.000 2.218 337 A HA 0.228 4.600 4.320 0.087 0.000 0.209 337 A C 1.374 178.838 177.584 -0.201 0.000 1.168 337 A CA 0.610 52.487 52.037 -0.267 0.000 0.804 337 A CB 0.067 18.809 19.000 -0.431 0.000 0.834 337 A HN 0.384 nan 8.150 nan 0.000 0.482 338 G N -0.211 108.470 108.800 -0.198 0.000 2.160 338 G HA2 -0.215 3.797 3.960 0.087 0.000 0.251 338 G HA3 -0.215 3.797 3.960 0.087 0.000 0.251 338 G C -0.197 174.615 174.900 -0.147 0.000 1.008 338 G CA 0.301 45.312 45.100 -0.148 0.000 0.724 338 G HN 0.493 nan 8.290 nan 0.000 0.514 339 E N -0.579 119.505 120.200 -0.193 0.000 2.354 339 E HA 0.337 4.739 4.350 0.087 0.000 0.269 339 E C 1.818 178.327 176.600 -0.152 0.000 1.036 339 E CA -0.573 55.725 56.400 -0.171 0.000 0.876 339 E CB 0.748 30.317 29.700 -0.217 0.000 1.009 339 E HN 0.291 nan 8.360 nan 0.000 0.416 340 I N 2.053 122.555 120.570 -0.113 0.000 2.264 340 I HA -0.298 3.924 4.170 0.087 0.000 0.248 340 I C 2.218 178.263 176.117 -0.119 0.000 1.111 340 I CA 0.718 61.959 61.300 -0.098 0.000 1.382 340 I CB -0.177 37.781 38.000 -0.070 0.000 1.060 340 I HN 0.405 nan 8.210 nan 0.000 0.418 341 L N 1.192 122.331 121.223 -0.140 0.000 2.191 341 L HA -0.090 4.302 4.340 0.087 0.000 0.212 341 L C 2.240 178.971 176.870 -0.231 0.000 1.103 341 L CA 1.903 56.636 54.840 -0.179 0.000 0.769 341 L CB -1.043 40.904 42.059 -0.187 0.000 0.908 341 L HN 0.173 nan 8.230 nan 0.000 0.438 342 G N -1.086 107.570 108.800 -0.240 0.000 2.421 342 G HA2 -0.240 3.772 3.960 0.087 0.000 0.216 342 G HA3 -0.240 3.772 3.960 0.087 0.000 0.216 342 G C 1.606 176.405 174.900 -0.169 0.000 1.171 342 G CA 0.715 45.668 45.100 -0.246 0.000 0.775 342 G HN 0.592 nan 8.290 nan 0.000 0.543 343 A N 0.559 123.298 122.820 -0.135 0.000 1.902 343 A HA 0.033 4.405 4.320 0.087 0.000 0.217 343 A C 2.477 180.016 177.584 -0.075 0.000 1.181 343 A CA 1.850 53.831 52.037 -0.093 0.000 0.623 343 A CB -0.366 18.587 19.000 -0.079 0.000 0.818 343 A HN 0.388 nan 8.150 nan 0.000 0.443 344 M N -1.196 118.351 119.600 -0.088 0.000 2.065 344 M HA -0.151 4.381 4.480 0.087 0.000 0.259 344 M C 2.019 178.286 176.300 -0.055 0.000 1.069 344 M CA 1.342 56.603 55.300 -0.066 0.000 1.110 344 M CB -0.464 32.087 32.600 -0.081 0.000 1.328 344 M HN 0.327 nan 8.290 nan 0.000 0.405 345 L N -0.304 120.855 121.223 -0.108 0.000 2.027 345 L HA -0.150 4.242 4.340 0.087 0.000 0.206 345 L C 2.476 179.355 176.870 0.015 0.000 1.074 345 L CA 1.766 56.560 54.840 -0.077 0.000 0.745 345 L CB -0.862 41.077 42.059 -0.200 0.000 0.898 345 L HN 0.339 nan 8.230 nan 0.000 0.433 346 M N -1.281 118.306 119.600 -0.022 0.000 2.117 346 M HA -0.161 4.371 4.480 0.087 0.000 0.262 346 M C 2.193 178.538 176.300 0.075 0.000 1.065 346 M CA 1.719 57.031 55.300 0.020 0.000 1.114 346 M CB -1.449 31.126 32.600 -0.041 0.000 1.361 346 M HN 0.256 nan 8.290 nan 0.000 0.408 347 T N -0.201 114.374 114.554 0.035 0.000 2.777 347 T HA -0.164 4.238 4.350 0.087 0.000 0.266 347 T C 1.765 176.503 174.700 0.065 0.000 1.040 347 T CA 1.531 63.654 62.100 0.039 0.000 1.141 347 T CB -0.188 68.684 68.868 0.008 0.000 0.868 347 T HN 0.470 nan 8.240 nan 0.000 0.444 348 E N 0.182 120.431 120.200 0.081 0.000 2.077 348 E HA -0.255 4.147 4.350 0.087 0.000 0.193 348 E C 2.103 178.788 176.600 0.141 0.000 0.989 348 E CA 1.332 57.797 56.400 0.109 0.000 0.800 348 E CB -0.108 29.667 29.700 0.126 0.000 0.746 348 E HN 0.666 nan 8.360 nan 0.000 0.452 349 H N 0.602 119.739 119.070 0.111 0.000 2.321 349 H HA -0.078 4.527 4.556 0.082 0.000 0.300 349 H C 1.888 177.327 175.328 0.185 0.000 1.087 349 H CA 2.323 58.455 56.048 0.141 0.000 1.319 349 H CB -0.173 29.647 29.762 0.098 0.000 1.379 349 H HN 0.121 nan 8.280 nan 0.000 0.501 350 N N 0.351 119.023 118.700 -0.046 0.000 2.104 350 N HA -0.132 4.660 4.740 0.087 0.000 0.190 350 N C 2.144 177.684 175.510 0.050 0.000 1.024 350 N CA 1.599 54.671 53.050 0.037 0.000 0.853 350 N CB -0.274 38.331 38.487 0.197 0.000 1.008 350 N HN 0.469 nan 8.380 nan 0.000 0.424 351 I N 0.668 121.251 120.570 0.020 0.000 2.315 351 I HA -0.191 4.031 4.170 0.087 0.000 0.248 351 I C 2.161 178.332 176.117 0.089 0.000 1.117 351 I CA 0.767 62.090 61.300 0.039 0.000 1.404 351 I CB -0.211 37.828 38.000 0.065 0.000 1.071 351 I HN 0.069 nan 8.210 nan 0.000 0.419 352 A N 0.608 123.471 122.820 0.072 0.000 1.930 352 A HA -0.242 4.130 4.320 0.087 0.000 0.217 352 A C 2.204 179.829 177.584 0.068 0.000 1.175 352 A CA 1.223 53.314 52.037 0.091 0.000 0.627 352 A CB -0.880 18.192 19.000 0.120 0.000 0.815 352 A HN 0.438 nan 8.150 nan 0.000 0.443 353 F N -0.721 119.135 119.950 -0.157 0.000 2.102 353 F HA -0.195 4.382 4.527 0.082 0.000 0.298 353 F C 2.096 177.798 175.800 -0.162 0.000 1.105 353 F CA 1.763 59.638 58.000 -0.208 0.000 1.239 353 F CB -0.433 38.344 39.000 -0.372 0.000 0.991 353 F HN 0.294 nan 8.300 nan 0.000 0.474 354 Y N 0.757 120.890 120.300 -0.277 0.000 2.165 354 Y HA -0.253 4.349 4.550 0.087 0.000 0.286 354 Y C 2.623 178.325 175.900 -0.330 0.000 1.155 354 Y CA 1.801 59.611 58.100 -0.484 0.000 1.164 354 Y CB -0.811 37.197 38.460 -0.753 0.000 0.978 354 Y HN 0.130 nan 8.280 nan 0.000 0.513 355 Q N -0.013 119.795 119.800 0.012 0.000 2.119 355 Q HA -0.203 4.189 4.340 0.087 0.000 0.201 355 Q C 2.150 178.137 176.000 -0.020 0.000 0.972 355 Q CA 1.400 57.232 55.803 0.048 0.000 0.847 355 Q CB -0.462 28.340 28.738 0.106 0.000 0.903 355 Q HN 0.617 nan 8.270 nan 0.000 0.433 356 Q N 0.056 119.828 119.800 -0.046 0.000 2.119 356 Q HA -0.130 4.262 4.340 0.087 0.000 0.201 356 Q C 2.069 178.056 176.000 -0.021 0.000 0.972 356 Q CA 0.809 56.617 55.803 0.009 0.000 0.847 356 Q CB -0.105 28.713 28.738 0.133 0.000 0.903 356 Q HN 0.194 nan 8.270 nan 0.000 0.433 357 L N 0.007 121.118 121.223 -0.186 0.000 2.017 357 L HA -0.177 4.215 4.340 0.087 0.000 0.208 357 L C 1.938 178.702 176.870 -0.177 0.000 1.073 357 L CA 1.723 56.463 54.840 -0.165 0.000 0.745 357 L CB -0.343 41.387 42.059 -0.547 0.000 0.894 357 L HN 0.208 nan 8.230 nan 0.000 0.432 358 M N -0.919 118.580 119.600 -0.168 0.000 2.159 358 M HA -0.172 4.360 4.480 0.087 0.000 0.263 358 M C 2.321 178.555 176.300 -0.110 0.000 1.063 358 M CA 1.534 56.770 55.300 -0.106 0.000 1.110 358 M CB -1.478 31.123 32.600 0.002 0.000 1.374 358 M HN 0.406 nan 8.290 nan 0.000 0.411 359 Q N 0.950 120.692 119.800 -0.097 0.000 2.079 359 Q HA -0.090 4.302 4.340 0.087 0.000 0.200 359 Q C 1.885 177.768 176.000 -0.195 0.000 0.974 359 Q CA 1.760 57.498 55.803 -0.108 0.000 0.840 359 Q CB -0.102 28.594 28.738 -0.070 0.000 0.898 359 Q HN 0.458 nan 8.270 nan 0.000 0.430 360 K N -0.358 119.882 120.400 -0.266 0.000 2.147 360 K HA -0.069 4.303 4.320 0.087 0.000 0.205 360 K C 2.033 178.211 176.600 -0.704 0.000 1.049 360 K CA 1.292 57.273 56.287 -0.510 0.000 0.936 360 K CB -0.113 32.013 32.500 -0.622 0.000 0.722 360 K HN 0.282 nan 8.250 nan 0.000 0.446 361 I N 0.636 120.910 120.570 -0.493 0.000 2.202 361 I HA -0.262 3.960 4.170 0.087 0.000 0.242 361 I C 2.404 178.329 176.117 -0.320 0.000 1.091 361 I CA 1.171 62.260 61.300 -0.352 0.000 1.368 361 I CB -0.198 37.685 38.000 -0.195 0.000 1.058 361 I HN 0.130 nan 8.210 nan 0.000 0.410 362 R N 0.697 121.055 120.500 -0.237 0.000 2.083 362 R HA -0.181 4.211 4.340 0.087 0.000 0.237 362 R C 1.934 178.135 176.300 -0.165 0.000 1.137 362 R CA 1.735 57.728 56.100 -0.178 0.000 0.951 362 R CB -0.430 29.802 30.300 -0.113 0.000 0.851 362 R HN 0.393 nan 8.270 nan 0.000 0.434 363 D N 0.168 120.461 120.400 -0.179 0.000 2.117 363 D HA -0.125 4.567 4.640 0.087 0.000 0.197 363 D C 2.082 178.306 176.300 -0.127 0.000 0.987 363 D CA 1.872 55.783 54.000 -0.147 0.000 0.829 363 D CB -0.278 40.427 40.800 -0.158 0.000 0.961 363 D HN 0.225 nan 8.370 nan 0.000 0.460 364 S N 0.513 116.115 115.700 -0.164 0.000 2.382 364 S HA -0.110 4.412 4.470 0.087 0.000 0.228 364 S C 2.298 176.918 174.600 0.033 0.000 1.027 364 S CA 0.554 58.728 58.200 -0.043 0.000 0.991 364 S CB -0.649 62.557 63.200 0.011 0.000 0.823 364 S HN 0.241 nan 8.310 nan 0.000 0.469 365 I N 1.928 122.471 120.570 -0.046 0.000 2.202 365 I HA -0.141 4.081 4.170 0.087 0.000 0.242 365 I C 2.681 178.774 176.117 -0.039 0.000 1.091 365 I CA 1.297 62.563 61.300 -0.057 0.000 1.368 365 I CB -0.591 37.279 38.000 -0.218 0.000 1.058 365 I HN 0.295 nan 8.210 nan 0.000 0.410 366 S N 0.157 115.818 115.700 -0.064 0.000 2.419 366 S HA -0.187 4.335 4.470 0.087 0.000 0.235 366 S C 1.543 176.125 174.600 -0.030 0.000 1.019 366 S CA 1.275 59.444 58.200 -0.051 0.000 0.982 366 S CB -0.296 62.867 63.200 -0.062 0.000 0.789 366 S HN 0.490 nan 8.310 nan 0.000 0.490 367 E N -0.040 120.148 120.200 -0.019 0.000 2.476 367 E HA 0.267 4.669 4.350 0.087 0.000 0.196 367 E C 0.912 177.523 176.600 0.018 0.000 1.029 367 E CA 0.032 56.428 56.400 -0.005 0.000 0.896 367 E CB 0.291 29.984 29.700 -0.011 0.000 1.012 367 E HN 0.455 nan 8.360 nan 0.000 0.475 368 G N 3.078 111.897 108.800 0.033 0.000 2.305 368 G HA2 -0.347 3.665 3.960 0.087 0.000 0.287 368 G HA3 -0.347 3.665 3.960 0.087 0.000 0.287 368 G C 0.540 175.486 174.900 0.076 0.000 1.036 368 G CA 0.879 46.012 45.100 0.055 0.000 0.887 368 G HN 0.439 nan 8.290 nan 0.000 0.505 369 R N -1.643 118.920 120.500 0.104 0.000 2.615 369 R HA 0.425 4.817 4.340 0.087 0.000 0.448 369 R C 1.273 177.686 176.300 0.190 0.000 1.009 369 R CA -0.148 56.019 56.100 0.112 0.000 1.111 369 R CB -0.196 30.151 30.300 0.078 0.000 1.461 369 R HN 0.245 nan 8.270 nan 0.000 0.587 370 F N 1.705 121.695 119.950 0.067 0.000 2.146 370 F HA -0.036 4.543 4.527 0.086 0.000 0.298 370 F C 2.233 178.125 175.800 0.154 0.000 1.096 370 F CA 1.659 59.732 58.000 0.122 0.000 1.275 370 F CB -0.171 38.872 39.000 0.071 0.000 1.008 370 F HN 0.155 nan 8.300 nan 0.000 0.480 371 S N -0.303 115.335 115.700 -0.103 0.000 2.370 371 S HA -0.306 4.216 4.470 0.087 0.000 0.226 371 S C 2.097 176.597 174.600 -0.166 0.000 1.033 371 S CA 1.716 59.781 58.200 -0.225 0.000 1.011 371 S CB -0.519 62.641 63.200 -0.066 0.000 0.852 371 S HN 0.606 nan 8.310 nan 0.000 0.457 372 Q N 0.117 119.890 119.800 -0.044 0.000 2.079 372 Q HA -0.055 4.337 4.340 0.087 0.000 0.200 372 Q C 1.755 177.747 176.000 -0.012 0.000 0.974 372 Q CA 1.912 57.706 55.803 -0.014 0.000 0.840 372 Q CB -0.762 27.995 28.738 0.032 0.000 0.898 372 Q HN 0.647 nan 8.270 nan 0.000 0.430 373 F N 0.384 120.281 119.950 -0.088 0.000 2.134 373 F HA -0.104 4.475 4.527 0.086 0.000 0.299 373 F C 1.866 177.622 175.800 -0.073 0.000 1.097 373 F CA 1.625 59.593 58.000 -0.055 0.000 1.264 373 F CB -0.775 38.228 39.000 0.005 0.000 1.001 373 F HN 0.135 nan 8.300 nan 0.000 0.479 374 A N 0.172 122.724 122.820 -0.447 0.000 1.908 374 A HA -0.246 4.126 4.320 0.087 0.000 0.218 374 A C 2.166 179.609 177.584 -0.236 0.000 1.181 374 A CA 1.963 53.717 52.037 -0.471 0.000 0.627 374 A CB -0.896 17.760 19.000 -0.573 0.000 0.818 374 A HN 0.631 nan 8.150 nan 0.000 0.445 375 Q N -0.576 119.115 119.800 -0.182 0.000 2.079 375 Q HA -0.154 4.238 4.340 0.087 0.000 0.200 375 Q C 1.509 177.460 176.000 -0.082 0.000 0.974 375 Q CA 1.361 57.111 55.803 -0.088 0.000 0.840 375 Q CB -0.209 28.491 28.738 -0.064 0.000 0.898 375 Q HN 0.606 nan 8.270 nan 0.000 0.430 376 D N 0.380 120.710 120.400 -0.118 0.000 2.117 376 D HA -0.154 4.538 4.640 0.087 0.000 0.197 376 D C 1.580 177.804 176.300 -0.127 0.000 0.987 376 D CA 0.797 54.740 54.000 -0.096 0.000 0.829 376 D CB -0.327 40.431 40.800 -0.070 0.000 0.961 376 D HN 0.140 nan 8.370 nan 0.000 0.460 377 F N 2.293 121.996 119.950 -0.412 0.000 2.069 377 F HA -0.174 4.404 4.527 0.086 0.000 0.298 377 F C 2.290 178.000 175.800 -0.150 0.000 1.113 377 F CA 1.541 59.319 58.000 -0.369 0.000 1.214 377 F CB -0.080 38.489 39.000 -0.718 0.000 0.978 377 F HN -0.216 nan 8.300 nan 0.000 0.474 378 R N 0.384 120.733 120.500 -0.252 0.000 2.081 378 R HA -0.131 4.261 4.340 0.087 0.000 0.235 378 R C 2.501 178.778 176.300 -0.039 0.000 1.131 378 R CA 1.260 57.271 56.100 -0.149 0.000 0.960 378 R CB -1.056 29.364 30.300 0.200 0.000 0.856 378 R HN 0.440 nan 8.270 nan 0.000 0.436 379 A N 1.310 124.115 122.820 -0.025 0.000 1.883 379 A HA -0.226 4.146 4.320 0.087 0.000 0.217 379 A C 2.177 179.750 177.584 -0.018 0.000 1.186 379 A CA 1.641 53.685 52.037 0.011 0.000 0.624 379 A CB -0.472 18.526 19.000 -0.003 0.000 0.822 379 A HN 0.256 nan 8.150 nan 0.000 0.444 380 R N -2.713 117.740 120.500 -0.078 0.000 2.100 380 R HA -0.071 4.321 4.340 0.087 0.000 0.220 380 R C 2.050 178.285 176.300 -0.109 0.000 1.091 380 R CA 1.217 57.285 56.100 -0.054 0.000 0.986 380 R CB -0.379 29.920 30.300 -0.002 0.000 0.888 380 R HN 0.565 nan 8.270 nan 0.000 0.444 381 Y N -0.010 120.004 120.300 -0.476 0.000 2.242 381 Y HA -0.056 4.545 4.550 0.085 0.000 0.291 381 Y C -0.034 175.528 175.900 -0.564 0.000 1.137 381 Y CA 1.064 58.762 58.100 -0.669 0.000 1.181 381 Y CB 0.124 37.750 38.460 -1.389 0.000 0.989 381 Y HN -0.104 nan 8.280 nan 0.000 0.527 382 F N 0.000 119.913 119.950 -0.062 0.000 2.286 382 F HA 0.000 4.580 4.527 0.088 0.000 0.279 382 F CA 0.000 57.965 58.000 -0.059 0.000 1.383 382 F CB 0.000 39.000 39.000 -0.000 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574