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 2pot_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYXXXX DATA SEQUENCE XXXXXXXSEE GVTFKXXXXX XXHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGQGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.313 176.300 0.022 0.000 0.893 11 R CA 0.000 56.105 56.100 0.008 0.000 0.921 11 R CB 0.000 30.302 30.300 0.002 0.000 0.687 12 P HA 0.203 nan 4.420 nan 0.000 0.276 12 P C -0.057 177.291 177.300 0.080 0.000 1.244 12 P CA -0.720 62.411 63.100 0.051 0.000 0.801 12 P CB 0.875 32.601 31.700 0.043 0.000 1.006 13 R N 1.076 121.646 120.500 0.117 0.000 2.075 13 R HA 0.000 4.392 4.340 0.086 0.000 0.232 13 R C -0.381 176.095 176.300 0.293 0.000 1.126 13 R CA 1.273 57.477 56.100 0.173 0.000 0.963 13 R CB -0.102 30.301 30.300 0.172 0.000 0.858 13 R HN 0.484 nan 8.270 nan 0.000 0.435 14 F N 0.202 120.207 119.950 0.091 0.000 3.588 14 F HA 0.218 4.797 4.527 0.086 0.000 0.396 14 F C -1.554 174.313 175.800 0.111 0.000 1.213 14 F CA -0.524 57.542 58.000 0.110 0.000 1.387 14 F CB 1.340 40.418 39.000 0.131 0.000 2.059 14 F HN -0.148 nan 8.300 nan 0.000 0.754 15 S N 6.091 121.709 115.700 -0.136 0.000 2.594 15 S HA 0.467 4.988 4.470 0.086 0.000 0.322 15 S C -1.241 173.288 174.600 -0.119 0.000 1.085 15 S CA -0.351 57.809 58.200 -0.068 0.000 1.116 15 S CB 0.208 63.398 63.200 -0.017 0.000 0.979 15 S HN 0.424 nan 8.310 nan 0.000 0.465 16 F N 5.152 124.945 119.950 -0.261 0.000 2.421 16 F HA 0.610 5.188 4.527 0.086 0.000 0.358 16 F C 0.170 175.906 175.800 -0.107 0.000 1.115 16 F CA -0.592 57.281 58.000 -0.212 0.000 1.160 16 F CB 0.970 39.884 39.000 -0.144 0.000 1.123 16 F HN 0.470 nan 8.300 nan 0.000 0.508 17 S N 6.706 122.171 115.700 -0.391 0.000 2.500 17 S HA 0.653 5.174 4.470 0.086 0.000 0.301 17 S C -0.608 173.610 174.600 -0.636 0.000 1.092 17 S CA -0.710 57.211 58.200 -0.465 0.000 1.030 17 S CB 0.690 63.758 63.200 -0.220 0.000 1.031 17 S HN 0.515 nan 8.310 nan 0.000 0.483 18 I N 4.775 124.986 120.570 -0.598 0.000 2.291 18 I HA 0.310 4.532 4.170 0.086 0.000 0.290 18 I C 1.199 177.177 176.117 -0.231 0.000 1.050 18 I CA -0.453 60.587 61.300 -0.432 0.000 1.245 18 I CB 1.263 39.042 38.000 -0.368 0.000 1.405 18 I HN 0.855 nan 8.210 nan 0.000 0.478 19 A N 5.436 128.152 122.820 -0.173 0.000 1.930 19 A HA 0.485 4.856 4.320 0.086 0.000 0.215 19 A C 1.072 178.601 177.584 -0.092 0.000 1.176 19 A CA 1.190 53.157 52.037 -0.117 0.000 0.632 19 A CB 0.081 19.024 19.000 -0.094 0.000 0.819 19 A HN 0.728 nan 8.150 nan 0.000 0.445 20 A N -1.241 121.525 122.820 -0.090 0.000 2.606 20 A HA 0.736 5.107 4.320 0.086 0.000 0.293 20 A C -0.750 176.796 177.584 -0.063 0.000 1.082 20 A CA -0.846 51.151 52.037 -0.067 0.000 0.685 20 A CB 1.072 20.038 19.000 -0.058 0.000 1.284 20 A HN 0.336 nan 8.150 nan 0.000 0.408 21 R N 0.281 120.758 120.500 -0.039 0.000 2.740 21 R HA 0.733 5.125 4.340 0.086 0.000 0.273 21 R C -1.320 174.982 176.300 0.005 0.000 0.998 21 R CA -0.739 55.347 56.100 -0.023 0.000 0.900 21 R CB 2.544 32.837 30.300 -0.012 0.000 1.223 21 R HN 0.756 nan 8.270 nan 0.000 0.466 22 E N 0.984 121.201 120.200 0.029 0.000 2.317 22 E HA 0.313 4.714 4.350 0.086 0.000 0.270 22 E C 0.039 176.700 176.600 0.102 0.000 0.899 22 E CA 0.120 56.566 56.400 0.076 0.000 0.814 22 E CB 1.306 31.083 29.700 0.129 0.000 1.296 22 E HN 0.797 nan 8.360 nan 0.000 0.404 23 G N 4.547 113.394 108.800 0.079 0.000 2.611 23 G HA2 -0.402 3.609 3.960 0.086 0.000 0.301 23 G HA3 -0.402 3.609 3.960 0.086 0.000 0.301 23 G C 0.712 175.655 174.900 0.071 0.000 1.233 23 G CA 0.596 45.742 45.100 0.077 0.000 0.993 23 G HN 0.588 nan 8.290 nan 0.000 0.553 24 K N 1.302 121.751 120.400 0.082 0.000 2.365 24 K HA 0.442 4.814 4.320 0.086 0.000 0.197 24 K C 1.457 178.103 176.600 0.076 0.000 1.042 24 K CA 0.579 56.911 56.287 0.074 0.000 0.987 24 K CB 0.060 32.600 32.500 0.066 0.000 0.779 24 K HN 0.742 nan 8.250 nan 0.000 0.484 25 A N 1.775 124.639 122.820 0.075 0.000 2.340 25 A HA 0.427 4.798 4.320 0.086 0.000 0.268 25 A C -0.450 177.114 177.584 -0.034 0.000 1.100 25 A CA -0.318 51.718 52.037 -0.002 0.000 0.803 25 A CB 0.385 19.320 19.000 -0.109 0.000 1.043 25 A HN 0.144 nan 8.150 nan 0.000 0.488 26 R N 0.025 120.492 120.500 -0.054 0.000 2.744 26 R HA 0.759 5.151 4.340 0.086 0.000 0.279 26 R C -0.611 175.646 176.300 -0.071 0.000 0.977 26 R CA -0.434 55.638 56.100 -0.047 0.000 0.906 26 R CB 1.971 32.275 30.300 0.007 0.000 1.197 26 R HN 0.655 nan 8.270 nan 0.000 0.463 27 T N -0.159 114.347 114.554 -0.080 0.000 2.909 27 T HA 0.846 5.247 4.350 0.086 0.000 0.299 27 T C -0.574 174.081 174.700 -0.074 0.000 1.073 27 T CA 0.102 62.159 62.100 -0.072 0.000 0.999 27 T CB 1.499 70.303 68.868 -0.107 0.000 1.098 27 T HN 0.797 nan 8.240 nan 0.000 0.477 28 G N 1.710 110.486 108.800 -0.040 0.000 2.392 28 G HA2 0.540 4.551 3.960 0.086 0.000 0.260 28 G HA3 0.540 4.551 3.960 0.086 0.000 0.260 28 G C -0.852 174.044 174.900 -0.007 0.000 1.226 28 G CA 0.069 45.123 45.100 -0.077 0.000 0.913 28 G HN 1.180 nan 8.290 nan 0.000 0.483 29 T N -1.708 112.833 114.554 -0.022 0.000 2.903 29 T HA 0.735 5.137 4.350 0.086 0.000 0.299 29 T C -0.835 173.926 174.700 0.101 0.000 1.093 29 T CA -0.621 61.496 62.100 0.029 0.000 1.002 29 T CB 1.999 70.855 68.868 -0.021 0.000 1.127 29 T HN 0.675 nan 8.240 nan 0.000 0.488 30 I N 1.866 122.466 120.570 0.049 0.000 2.390 30 I HA 0.310 4.532 4.170 0.086 0.000 0.283 30 I C 0.010 176.056 176.117 -0.118 0.000 1.016 30 I CA -0.715 60.533 61.300 -0.086 0.000 1.151 30 I CB 1.400 39.276 38.000 -0.206 0.000 1.293 30 I HN 0.662 nan 8.210 nan 0.000 0.458 31 E N 7.667 127.790 120.200 -0.128 0.000 2.229 31 E HA 0.536 4.937 4.350 0.086 0.000 0.283 31 E C -0.625 175.941 176.600 -0.056 0.000 1.030 31 E CA -0.248 56.110 56.400 -0.070 0.000 0.836 31 E CB 1.491 31.164 29.700 -0.044 0.000 1.068 31 E HN 0.482 nan 8.360 nan 0.000 0.401 32 M N 1.635 121.235 119.600 -0.001 0.000 2.691 32 M HA 0.309 4.840 4.480 0.086 0.000 0.293 32 M C 0.885 177.212 176.300 0.046 0.000 1.259 32 M CA -1.065 54.272 55.300 0.061 0.000 0.827 32 M CB 1.626 34.291 32.600 0.108 0.000 1.753 32 M HN 0.233 nan 8.290 nan 0.000 0.465 33 K N 0.738 121.172 120.400 0.057 0.000 2.063 33 K HA -0.102 4.270 4.320 0.086 0.000 0.208 33 K C 1.351 177.948 176.600 -0.005 0.000 1.048 33 K CA 1.673 57.974 56.287 0.022 0.000 0.928 33 K CB -0.124 32.388 32.500 0.019 0.000 0.713 33 K HN 0.551 nan 8.250 nan 0.000 0.442 34 R N 0.086 120.584 120.500 -0.004 0.000 2.356 34 R HA 0.128 4.520 4.340 0.086 0.000 0.234 34 R C 0.626 176.908 176.300 -0.029 0.000 0.929 34 R CA 0.185 56.261 56.100 -0.040 0.000 1.084 34 R CB 0.577 30.839 30.300 -0.064 0.000 1.105 34 R HN 0.236 nan 8.270 nan 0.000 0.515 35 G N -0.613 108.183 108.800 -0.007 0.000 2.369 35 G HA2 0.005 4.017 3.960 0.086 0.000 0.295 35 G HA3 0.005 4.017 3.960 0.086 0.000 0.295 35 G C -1.565 173.336 174.900 0.001 0.000 1.298 35 G CA -1.031 44.060 45.100 -0.015 0.000 0.940 35 G HN -0.083 nan 8.290 nan 0.000 0.536 36 V N 0.380 120.292 119.914 -0.004 0.000 2.547 36 V HA 0.659 4.831 4.120 0.086 0.000 0.299 36 V C 0.262 176.365 176.094 0.015 0.000 1.040 36 V CA -0.592 61.707 62.300 -0.002 0.000 0.913 36 V CB 1.568 33.385 31.823 -0.011 0.000 0.992 36 V HN 0.617 nan 8.190 nan 0.000 0.449 37 I N 4.435 125.012 120.570 0.011 0.000 2.355 37 I HA 0.474 4.695 4.170 0.086 0.000 0.288 37 I C 0.230 176.364 176.117 0.028 0.000 0.999 37 I CA -0.472 60.844 61.300 0.026 0.000 1.163 37 I CB 1.214 39.224 38.000 0.017 0.000 1.316 37 I HN 0.487 nan 8.210 nan 0.000 0.454 38 R N 3.906 124.427 120.500 0.034 0.000 2.340 38 R HA 0.443 4.835 4.340 0.086 0.000 0.300 38 R C -0.107 176.221 176.300 0.046 0.000 1.069 38 R CA -0.310 55.808 56.100 0.031 0.000 0.984 38 R CB 1.034 31.346 30.300 0.020 0.000 1.003 38 R HN 0.660 nan 8.270 nan 0.000 0.459 39 T N 0.383 114.969 114.554 0.054 0.000 2.863 39 T HA 0.446 4.848 4.350 0.086 0.000 0.285 39 T C -2.657 172.064 174.700 0.035 0.000 1.009 39 T CA -2.877 59.267 62.100 0.074 0.000 0.989 39 T CB 2.154 71.102 68.868 0.132 0.000 1.004 39 T HN 0.197 nan 8.240 nan 0.000 0.455 40 P HA 0.393 nan 4.420 nan 0.000 0.265 40 P C -0.996 176.392 177.300 0.147 0.000 1.193 40 P CA -0.111 63.058 63.100 0.116 0.000 0.765 40 P CB 0.319 32.105 31.700 0.145 0.000 0.823 41 A N 3.723 126.664 122.820 0.202 0.000 2.342 41 A HA 0.646 5.018 4.320 0.086 0.000 0.323 41 A C -1.372 176.395 177.584 0.306 0.000 1.125 41 A CA -0.493 51.651 52.037 0.179 0.000 0.785 41 A CB 0.431 19.471 19.000 0.067 0.000 1.221 41 A HN 0.464 nan 8.150 nan 0.000 0.463 42 F N 2.996 123.024 119.950 0.130 0.000 2.426 42 F HA 0.655 5.231 4.527 0.082 0.000 0.348 42 F C -0.229 175.603 175.800 0.052 0.000 1.124 42 F CA -0.931 57.151 58.000 0.136 0.000 1.008 42 F CB 1.432 40.508 39.000 0.128 0.000 1.139 42 F HN 0.499 nan 8.300 nan 0.000 0.452 43 M N 8.564 127.618 119.600 -0.909 0.000 2.047 43 M HA 0.350 4.882 4.480 0.086 0.000 0.342 43 M C -2.513 173.210 176.300 -0.962 0.000 1.058 43 M CA -1.897 52.982 55.300 -0.702 0.000 0.991 43 M CB 0.973 33.277 32.600 -0.494 0.000 1.474 43 M HN 0.307 nan 8.290 nan 0.000 0.419 44 P HA 0.030 nan 4.420 nan 0.000 0.265 44 P C -0.592 176.521 177.300 -0.311 0.000 1.193 44 P CA -0.130 62.803 63.100 -0.279 0.000 0.765 44 P CB 0.442 32.055 31.700 -0.145 0.000 0.823 45 V N 3.933 123.715 119.914 -0.219 0.000 2.406 45 V HA 0.376 4.547 4.120 0.086 0.000 0.272 45 V C 1.343 177.328 176.094 -0.181 0.000 1.043 45 V CA 0.139 62.321 62.300 -0.197 0.000 0.915 45 V CB 0.826 32.565 31.823 -0.140 0.000 0.988 45 V HN 0.749 nan 8.190 nan 0.000 0.466 46 G N 2.642 111.318 108.800 -0.207 0.000 4.126 46 G HA2 0.215 4.227 3.960 0.086 0.000 0.282 46 G HA3 0.215 4.227 3.960 0.086 0.000 0.282 46 G C 0.360 175.172 174.900 -0.147 0.000 1.221 46 G CA -0.238 44.749 45.100 -0.187 0.000 1.527 46 G HN 0.600 nan 8.290 nan 0.000 0.612 47 T N 1.583 116.046 114.554 -0.152 0.000 2.765 47 T HA 0.343 4.745 4.350 0.086 0.000 0.284 47 T C 1.178 175.811 174.700 -0.112 0.000 0.946 47 T CA 1.409 63.396 62.100 -0.188 0.000 1.185 47 T CB 0.278 69.006 68.868 -0.233 0.000 0.887 47 T HN 1.521 nan 8.240 nan 0.000 0.532 48 A N 3.848 126.630 122.820 -0.064 0.000 3.232 48 A HA 0.134 4.506 4.320 0.086 0.000 0.238 48 A C 1.253 178.859 177.584 0.035 0.000 1.344 48 A CA 0.650 52.699 52.037 0.020 0.000 0.875 48 A CB -2.285 16.730 19.000 0.025 0.000 1.070 48 A HN 2.509 nan 8.150 nan 0.000 0.653 49 A N -2.991 119.839 122.820 0.017 0.000 2.925 49 A HA 0.294 4.665 4.320 0.086 0.000 0.265 49 A C 1.301 178.864 177.584 -0.035 0.000 1.419 49 A CA 2.412 54.469 52.037 0.033 0.000 0.807 49 A CB -2.368 16.745 19.000 0.188 0.000 1.043 49 A HN 3.194 nan 8.150 nan 0.000 0.600 50 T N -1.555 112.961 114.554 -0.063 0.000 3.012 50 T HA 0.504 4.906 4.350 0.086 0.000 0.330 50 T C -0.749 173.893 174.700 -0.097 0.000 1.321 50 T CA 0.285 62.339 62.100 -0.077 0.000 1.067 50 T CB 1.492 70.324 68.868 -0.060 0.000 1.235 50 T HN 1.192 nan 8.240 nan 0.000 0.479 51 V N 4.397 124.247 119.914 -0.106 0.000 2.389 51 V HA 0.577 4.748 4.120 0.086 0.000 0.264 51 V C 1.156 177.210 176.094 -0.065 0.000 1.049 51 V CA -0.311 61.925 62.300 -0.108 0.000 0.932 51 V CB 0.255 31.999 31.823 -0.133 0.000 1.011 51 V HN 1.216 nan 8.190 nan 0.000 0.475 52 K N 3.999 124.364 120.400 -0.060 0.000 2.441 52 K HA 0.329 4.701 4.320 0.086 0.000 0.273 52 K C 1.290 177.871 176.600 -0.033 0.000 1.090 52 K CA 0.886 57.147 56.287 -0.043 0.000 1.158 52 K CB -1.112 31.364 32.500 -0.039 0.000 0.847 52 K HN 2.312 nan 8.250 nan 0.000 0.483 53 A N 1.132 123.934 122.820 -0.030 0.000 3.201 53 A HA -0.101 4.271 4.320 0.086 0.000 0.260 53 A C 0.252 177.828 177.584 -0.014 0.000 1.222 53 A CA 1.190 53.212 52.037 -0.026 0.000 1.124 53 A CB -2.308 16.674 19.000 -0.030 0.000 1.155 53 A HN 1.116 nan 8.150 nan 0.000 0.924 54 L N -0.344 120.874 121.223 -0.009 0.000 2.385 54 L HA 0.444 4.836 4.340 0.086 0.000 0.273 54 L C 0.417 177.300 176.870 0.022 0.000 0.990 54 L CA -0.920 53.928 54.840 0.013 0.000 0.821 54 L CB 1.849 43.922 42.059 0.023 0.000 1.279 54 L HN 0.235 nan 8.230 nan 0.000 0.412 55 K N 2.610 123.034 120.400 0.039 0.000 2.319 55 K HA 0.112 4.484 4.320 0.086 0.000 0.265 55 K C -1.643 175.015 176.600 0.097 0.000 1.000 55 K CA -1.356 54.963 56.287 0.053 0.000 0.943 55 K CB 0.723 33.255 32.500 0.054 0.000 0.950 55 K HN 0.260 nan 8.250 nan 0.000 0.485 56 P HA -0.227 nan 4.420 nan 0.000 0.218 56 P C 0.857 178.322 177.300 0.275 0.000 1.149 56 P CA 1.247 64.518 63.100 0.285 0.000 0.817 56 P CB 0.070 31.987 31.700 0.362 0.000 0.785 57 E N -0.747 119.545 120.200 0.154 0.000 2.110 57 E HA -0.151 4.251 4.350 0.086 0.000 0.193 57 E C 1.200 177.876 176.600 0.127 0.000 0.988 57 E CA 1.573 58.039 56.400 0.110 0.000 0.804 57 E CB -1.534 28.207 29.700 0.069 0.000 0.745 57 E HN 0.148 nan 8.360 nan 0.000 0.458 58 T N 1.109 115.739 114.554 0.126 0.000 2.857 58 T HA -0.042 4.359 4.350 0.086 0.000 0.266 58 T C 2.085 176.873 174.700 0.146 0.000 1.048 58 T CA 1.057 63.230 62.100 0.122 0.000 1.139 58 T CB -0.103 68.826 68.868 0.101 0.000 0.874 58 T HN 0.034 nan 8.240 nan 0.000 0.455 59 V N 1.860 121.882 119.914 0.179 0.000 2.407 59 V HA -0.162 4.010 4.120 0.086 0.000 0.248 59 V C 2.661 178.924 176.094 0.280 0.000 1.055 59 V CA 1.596 64.015 62.300 0.197 0.000 1.049 59 V CB -0.569 31.345 31.823 0.152 0.000 0.662 59 V HN 0.252 nan 8.190 nan 0.000 0.455 60 R N 1.192 121.895 120.500 0.338 0.000 2.092 60 R HA -0.026 4.366 4.340 0.086 0.000 0.231 60 R C 2.136 178.527 176.300 0.150 0.000 1.119 60 R CA 1.781 58.028 56.100 0.245 0.000 0.970 60 R CB -1.012 29.337 30.300 0.082 0.000 0.864 60 R HN 0.427 nan 8.270 nan 0.000 0.440 61 A N -0.413 122.486 122.820 0.132 0.000 1.972 61 A HA -0.159 4.213 4.320 0.086 0.000 0.219 61 A C 2.099 179.753 177.584 0.118 0.000 1.169 61 A CA 2.069 54.171 52.037 0.108 0.000 0.635 61 A CB -1.161 17.902 19.000 0.107 0.000 0.810 61 A HN 0.623 nan 8.150 nan 0.000 0.446 62 T N -4.417 110.217 114.554 0.134 0.000 3.035 62 T HA 0.339 4.741 4.350 0.086 0.000 0.268 62 T C 1.386 176.163 174.700 0.128 0.000 1.109 62 T CA 1.353 63.532 62.100 0.131 0.000 1.119 62 T CB -0.023 68.921 68.868 0.128 0.000 0.900 62 T HN 1.681 nan 8.240 nan 0.000 0.503 63 G N 0.624 109.505 108.800 0.134 0.000 2.175 63 G HA2 0.130 4.142 3.960 0.086 0.000 0.182 63 G HA3 0.130 4.142 3.960 0.086 0.000 0.182 63 G C 0.171 175.161 174.900 0.149 0.000 1.003 63 G CA -0.215 44.958 45.100 0.122 0.000 0.666 63 G HN 1.041 nan 8.290 nan 0.000 0.506 64 A N 0.225 123.165 122.820 0.199 0.000 2.440 64 A HA 0.591 4.962 4.320 0.086 0.000 0.251 64 A C 0.934 178.703 177.584 0.308 0.000 1.089 64 A CA 0.687 52.862 52.037 0.231 0.000 0.779 64 A CB 0.398 19.521 19.000 0.205 0.000 1.022 64 A HN 0.123 nan 8.150 nan 0.000 0.492 65 D N 0.448 120.993 120.400 0.241 0.000 2.392 65 D HA 0.213 4.905 4.640 0.086 0.000 0.206 65 D C 0.117 176.617 176.300 0.334 0.000 1.046 65 D CA 0.837 54.975 54.000 0.230 0.000 0.865 65 D CB 0.497 41.369 40.800 0.120 0.000 0.969 65 D HN 0.558 nan 8.370 nan 0.000 0.509 66 I N 0.538 121.280 120.570 0.286 0.000 2.842 66 I HA 0.289 4.511 4.170 0.086 0.000 0.297 66 I C -1.737 174.307 176.117 -0.122 0.000 1.380 66 I CA -0.941 60.471 61.300 0.186 0.000 1.018 66 I CB 2.188 40.219 38.000 0.051 0.000 1.311 66 I HN -0.220 nan 8.210 nan 0.000 0.439 67 I N 4.340 124.711 120.570 -0.332 0.000 3.108 67 I HA 0.645 4.866 4.170 0.086 0.000 0.312 67 I C -1.859 174.034 176.117 -0.374 0.000 1.095 67 I CA -0.956 60.034 61.300 -0.516 0.000 1.000 67 I CB 2.123 39.580 38.000 -0.905 0.000 1.229 67 I HN 0.653 nan 8.210 nan 0.000 0.454 68 L N 2.236 123.255 121.223 -0.341 0.000 2.346 68 L HA 0.906 5.298 4.340 0.086 0.000 0.276 68 L C -0.323 176.425 176.870 -0.204 0.000 1.006 68 L CA -0.171 54.521 54.840 -0.246 0.000 0.817 68 L CB 1.633 43.560 42.059 -0.220 0.000 1.272 68 L HN 0.909 nan 8.230 nan 0.000 0.421 69 G N 1.489 110.201 108.800 -0.146 0.000 2.420 69 G HA2 0.553 4.565 3.960 0.086 0.000 0.331 69 G HA3 0.553 4.565 3.960 0.086 0.000 0.331 69 G C -1.053 173.831 174.900 -0.027 0.000 1.168 69 G CA -0.236 44.808 45.100 -0.094 0.000 0.936 69 G HN 0.901 nan 8.290 nan 0.000 0.479 70 N N 0.211 118.923 118.700 0.020 0.000 2.408 70 N HA 0.455 5.247 4.740 0.086 0.000 0.280 70 N C 1.108 176.730 175.510 0.187 0.000 1.002 70 N CA -0.048 53.082 53.050 0.134 0.000 0.907 70 N CB 1.201 39.821 38.487 0.221 0.000 1.161 70 N HN 0.437 nan 8.380 nan 0.000 0.488 71 T N 0.129 114.789 114.554 0.177 0.000 2.684 71 T HA -0.167 4.235 4.350 0.086 0.000 0.267 71 T C 1.633 176.444 174.700 0.184 0.000 1.036 71 T CA 1.896 64.088 62.100 0.154 0.000 1.148 71 T CB -0.483 68.475 68.868 0.149 0.000 0.863 71 T HN 0.712 nan 8.240 nan 0.000 0.436 72 Y N 1.608 121.970 120.300 0.103 0.000 2.114 72 Y HA -0.219 4.382 4.550 0.086 0.000 0.284 72 Y C 2.562 178.461 175.900 -0.002 0.000 1.143 72 Y CA 1.528 59.642 58.100 0.024 0.000 1.135 72 Y CB -0.547 37.865 38.460 -0.080 0.000 0.980 72 Y HN 0.400 nan 8.280 nan 0.000 0.499 73 H N -0.130 118.990 119.070 0.083 0.000 2.290 73 H HA -0.169 4.440 4.556 0.088 0.000 0.298 73 H C 2.295 177.582 175.328 -0.068 0.000 1.087 73 H CA 2.145 58.172 56.048 -0.035 0.000 1.291 73 H CB -0.518 29.287 29.762 0.072 0.000 1.369 73 H HN 0.367 nan 8.280 nan 0.000 0.492 74 L N 1.079 122.367 121.223 0.109 0.000 2.291 74 L HA -0.135 4.257 4.340 0.086 0.000 0.214 74 L C 2.850 179.706 176.870 -0.023 0.000 1.120 74 L CA 0.613 55.475 54.840 0.037 0.000 0.799 74 L CB -0.359 41.722 42.059 0.037 0.000 0.925 74 L HN 0.309 nan 8.230 nan 0.000 0.446 75 M N -1.728 117.853 119.600 -0.031 0.000 2.319 75 M HA -0.116 4.416 4.480 0.086 0.000 0.265 75 M C 1.869 178.118 176.300 -0.085 0.000 1.068 75 M CA 1.755 57.026 55.300 -0.049 0.000 1.118 75 M CB -0.327 32.266 32.600 -0.012 0.000 1.395 75 M HN 0.160 nan 8.290 nan 0.000 0.435 76 L N 0.553 121.697 121.223 -0.132 0.000 2.168 76 L HA 0.150 4.541 4.340 0.086 0.000 0.203 76 L C 1.489 178.306 176.870 -0.088 0.000 1.078 76 L CA 0.731 55.487 54.840 -0.140 0.000 0.780 76 L CB -0.273 41.650 42.059 -0.228 0.000 0.939 76 L HN 0.475 nan 8.230 nan 0.000 0.451 77 R N 0.555 121.018 120.500 -0.061 0.000 2.515 77 R HA 0.401 4.793 4.340 0.086 0.000 0.291 77 R C -2.545 173.756 176.300 0.002 0.000 1.046 77 R CA -1.354 54.733 56.100 -0.022 0.000 0.914 77 R CB -0.244 30.057 30.300 0.001 0.000 1.191 77 R HN -0.119 nan 8.270 nan 0.000 0.435 78 P HA 0.217 nan 4.420 nan 0.000 0.257 78 P C 0.382 177.628 177.300 -0.091 0.000 1.281 78 P CA 0.822 63.895 63.100 -0.046 0.000 0.826 78 P CB 0.498 32.167 31.700 -0.052 0.000 1.237 79 G N -0.220 108.522 108.800 -0.097 0.000 2.674 79 G HA2 0.077 4.089 3.960 0.086 0.000 0.686 79 G HA3 0.077 4.089 3.960 0.086 0.000 0.686 79 G C 0.602 175.430 174.900 -0.120 0.000 1.195 79 G CA -0.437 44.603 45.100 -0.099 0.000 0.776 79 G HN 0.146 nan 8.290 nan 0.000 0.654 80 A N 0.364 123.127 122.820 -0.095 0.000 1.897 80 A HA 0.153 4.524 4.320 0.086 0.000 0.215 80 A C 2.020 179.535 177.584 -0.114 0.000 1.181 80 A CA 2.106 54.085 52.037 -0.097 0.000 0.620 80 A CB -0.311 18.650 19.000 -0.065 0.000 0.821 80 A HN 0.764 nan 8.150 nan 0.000 0.443 81 E N -0.404 119.736 120.200 -0.100 0.000 2.150 81 E HA -0.191 4.211 4.350 0.086 0.000 0.193 81 E C 2.158 178.691 176.600 -0.112 0.000 0.985 81 E CA 1.049 57.391 56.400 -0.098 0.000 0.814 81 E CB -0.239 29.414 29.700 -0.078 0.000 0.752 81 E HN 0.676 nan 8.360 nan 0.000 0.466 82 R N 0.972 121.394 120.500 -0.129 0.000 2.092 82 R HA -0.050 4.342 4.340 0.086 0.000 0.231 82 R C 2.316 178.487 176.300 -0.216 0.000 1.119 82 R CA 0.766 56.777 56.100 -0.148 0.000 0.970 82 R CB -0.116 30.097 30.300 -0.146 0.000 0.864 82 R HN 0.090 nan 8.270 nan 0.000 0.440 83 I N 0.841 121.244 120.570 -0.278 0.000 2.315 83 I HA -0.186 4.035 4.170 0.086 0.000 0.248 83 I C 2.497 178.489 176.117 -0.207 0.000 1.117 83 I CA 1.063 62.132 61.300 -0.385 0.000 1.404 83 I CB -0.260 37.499 38.000 -0.401 0.000 1.071 83 I HN 0.317 nan 8.210 nan 0.000 0.419 84 A N 1.138 123.867 122.820 -0.152 0.000 1.883 84 A HA -0.294 4.078 4.320 0.086 0.000 0.217 84 A C 2.610 180.142 177.584 -0.086 0.000 1.186 84 A CA 2.635 54.605 52.037 -0.111 0.000 0.624 84 A CB -1.004 17.923 19.000 -0.122 0.000 0.822 84 A HN 0.364 nan 8.150 nan 0.000 0.444 85 K N -0.142 120.205 120.400 -0.089 0.000 2.152 85 K HA 0.087 4.459 4.320 0.086 0.000 0.206 85 K C 1.646 178.221 176.600 -0.042 0.000 1.048 85 K CA 1.647 57.898 56.287 -0.060 0.000 0.933 85 K CB -1.129 31.336 32.500 -0.059 0.000 0.721 85 K HN 0.536 nan 8.250 nan 0.000 0.447 86 L N -0.750 120.440 121.223 -0.054 0.000 2.612 86 L HA 0.274 4.666 4.340 0.086 0.000 0.230 86 L C 1.580 178.472 176.870 0.037 0.000 1.140 86 L CA 0.484 55.324 54.840 -0.000 0.000 0.896 86 L CB 0.155 42.221 42.059 0.011 0.000 1.065 86 L HN 0.608 nan 8.230 nan 0.000 0.447 87 G N -1.009 107.797 108.800 0.011 0.000 2.192 87 G HA2 0.022 4.033 3.960 0.086 0.000 0.193 87 G HA3 0.022 4.033 3.960 0.086 0.000 0.193 87 G C 0.504 175.438 174.900 0.056 0.000 0.999 87 G CA -0.332 44.791 45.100 0.038 0.000 0.659 87 G HN 0.807 nan 8.290 nan 0.000 0.503 88 G N -1.602 107.216 108.800 0.030 0.000 2.663 88 G HA2 0.191 4.202 3.960 0.086 0.000 0.686 88 G HA3 0.191 4.202 3.960 0.086 0.000 0.686 88 G C 0.428 175.399 174.900 0.118 0.000 1.246 88 G CA -0.063 45.073 45.100 0.059 0.000 0.795 88 G HN 1.440 nan 8.290 nan 0.000 0.627 89 L N 0.498 121.777 121.223 0.094 0.000 2.131 89 L HA 0.074 4.466 4.340 0.086 0.000 0.210 89 L C 2.503 179.448 176.870 0.125 0.000 1.092 89 L CA 3.017 57.918 54.840 0.100 0.000 0.759 89 L CB -0.710 41.340 42.059 -0.016 0.000 0.903 89 L HN 0.760 nan 8.230 nan 0.000 0.435 90 H N -1.983 117.184 119.070 0.161 0.000 2.293 90 H HA -0.140 4.467 4.556 0.085 0.000 0.300 90 H C 2.542 177.963 175.328 0.155 0.000 1.082 90 H CA 1.903 58.056 56.048 0.175 0.000 1.308 90 H CB -0.423 29.419 29.762 0.132 0.000 1.375 90 H HN 0.344 nan 8.280 nan 0.000 0.495 91 S N -0.387 115.475 115.700 0.270 0.000 2.353 91 S HA -0.212 4.310 4.470 0.086 0.000 0.222 91 S C 2.027 176.746 174.600 0.199 0.000 1.035 91 S CA 1.315 59.628 58.200 0.188 0.000 1.025 91 S CB -0.537 62.755 63.200 0.154 0.000 0.902 91 S HN 0.363 nan 8.310 nan 0.000 0.440 92 F N 2.880 122.867 119.950 0.061 0.000 2.065 92 F HA -0.146 4.438 4.527 0.095 0.000 0.298 92 F C 2.120 177.945 175.800 0.042 0.000 1.112 92 F CA 2.328 60.350 58.000 0.038 0.000 1.212 92 F CB -0.493 38.520 39.000 0.021 0.000 0.975 92 F HN 0.398 nan 8.300 nan 0.000 0.476 93 M N -1.625 118.001 119.600 0.043 0.000 2.428 93 M HA 0.435 4.967 4.480 0.086 0.000 0.239 93 M C 1.213 177.528 176.300 0.026 0.000 1.121 93 M CA 0.880 56.132 55.300 -0.079 0.000 1.019 93 M CB 0.275 32.868 32.600 -0.011 0.000 1.485 93 M HN 0.203 nan 8.290 nan 0.000 0.484 94 G N 1.442 110.299 108.800 0.094 0.000 2.182 94 G HA2 -0.239 3.773 3.960 0.086 0.000 0.248 94 G HA3 -0.239 3.773 3.960 0.086 0.000 0.248 94 G C -0.820 174.202 174.900 0.203 0.000 1.042 94 G CA 0.134 45.300 45.100 0.111 0.000 0.775 94 G HN 0.749 nan 8.290 nan 0.000 0.501 95 W N 1.892 123.220 121.300 0.047 0.000 2.393 95 W HA 0.491 5.193 4.660 0.070 0.000 0.315 95 W C 0.137 176.764 176.519 0.181 0.000 1.009 95 W CA -0.175 57.212 57.345 0.069 0.000 1.313 95 W CB 1.111 30.585 29.460 0.023 0.000 1.269 95 W HN 0.290 nan 8.180 nan 0.000 0.420 96 D N 3.327 123.629 120.400 -0.163 0.000 2.339 96 D HA 0.058 4.750 4.640 0.086 0.000 0.217 96 D C 0.522 176.710 176.300 -0.186 0.000 1.050 96 D CA 0.204 54.155 54.000 -0.081 0.000 0.856 96 D CB 0.331 41.051 40.800 -0.134 0.000 0.922 96 D HN 0.184 nan 8.370 nan 0.000 0.518 97 R N 0.212 120.396 120.500 -0.526 0.000 2.541 97 R HA 0.462 4.854 4.340 0.086 0.000 0.254 97 R C -2.377 174.137 176.300 0.357 0.000 1.130 97 R CA -1.937 54.019 56.100 -0.240 0.000 1.152 97 R CB 0.200 30.163 30.300 -0.561 0.000 1.222 97 R HN -0.038 nan 8.270 nan 0.000 0.579 98 P HA -0.003 nan 4.420 nan 0.000 0.267 98 P C -0.840 176.730 177.300 0.449 0.000 1.201 98 P CA 0.736 64.068 63.100 0.386 0.000 0.775 98 P CB 0.447 32.278 31.700 0.220 0.000 0.854 99 I N 1.782 122.515 120.570 0.271 0.000 2.534 99 I HA 0.256 4.477 4.170 0.086 0.000 0.288 99 I C -0.923 175.184 176.117 -0.016 0.000 1.077 99 I CA -1.040 60.282 61.300 0.037 0.000 1.051 99 I CB 1.921 39.858 38.000 -0.105 0.000 1.234 99 I HN 0.117 nan 8.210 nan 0.000 0.425 100 L N 6.829 127.984 121.223 -0.112 0.000 2.295 100 L HA 0.629 5.021 4.340 0.086 0.000 0.285 100 L C -0.019 176.783 176.870 -0.113 0.000 1.035 100 L CA 0.064 54.812 54.840 -0.154 0.000 0.806 100 L CB 1.258 43.140 42.059 -0.294 0.000 1.214 100 L HN 0.706 nan 8.230 nan 0.000 0.426 101 T N 0.983 115.501 114.554 -0.060 0.000 2.779 101 T HA 0.402 4.804 4.350 0.086 0.000 0.280 101 T C -0.057 174.653 174.700 0.016 0.000 0.987 101 T CA -0.867 61.225 62.100 -0.014 0.000 0.966 101 T CB 1.193 70.074 68.868 0.020 0.000 0.933 101 T HN 0.599 nan 8.240 nan 0.000 0.442 102 D N 1.412 121.835 120.400 0.038 0.000 2.363 102 D HA 0.120 4.811 4.640 0.086 0.000 0.240 102 D C 1.338 177.706 176.300 0.113 0.000 1.236 102 D CA -0.221 53.820 54.000 0.069 0.000 0.927 102 D CB 1.178 42.020 40.800 0.070 0.000 1.150 102 D HN 0.639 nan 8.370 nan 0.000 0.458 103 S N 0.025 115.811 115.700 0.145 0.000 2.524 103 S HA 0.284 4.806 4.470 0.086 0.000 0.216 103 S C 1.505 176.292 174.600 0.312 0.000 0.987 103 S CA 0.448 58.788 58.200 0.233 0.000 0.909 103 S CB 0.694 64.071 63.200 0.294 0.000 0.781 103 S HN 0.828 nan 8.310 nan 0.000 0.521 104 G N 0.604 109.564 108.800 0.267 0.000 2.238 104 G HA2 -0.177 3.834 3.960 0.086 0.000 0.217 104 G HA3 -0.177 3.834 3.960 0.086 0.000 0.217 104 G C 1.017 176.041 174.900 0.206 0.000 0.996 104 G CA 0.071 45.333 45.100 0.270 0.000 0.632 104 G HN 0.789 nan 8.290 nan 0.000 0.503 105 G N -0.047 108.888 108.800 0.225 0.000 2.446 105 G HA2 0.089 4.101 3.960 0.086 0.000 0.217 105 G HA3 0.089 4.101 3.960 0.086 0.000 0.217 105 G C 0.940 175.809 174.900 -0.052 0.000 1.168 105 G CA 1.495 46.563 45.100 -0.053 0.000 0.771 105 G HN 0.773 nan 8.290 nan 0.000 0.551 119 E N 0.932 121.301 120.200 0.282 0.000 2.338 119 E HA 0.012 4.414 4.350 0.086 0.000 0.197 119 E C 1.812 178.733 176.600 0.535 0.000 1.007 119 E CA 1.991 58.620 56.400 0.380 0.000 0.849 119 E CB -0.325 29.505 29.700 0.216 0.000 0.774 119 E HN 0.775 nan 8.360 nan 0.000 0.506 120 E N -0.213 120.170 120.200 0.306 0.000 2.299 120 E HA 0.341 4.742 4.350 0.086 0.000 0.193 120 E C 1.099 177.689 176.600 -0.017 0.000 0.998 120 E CA 0.943 57.426 56.400 0.139 0.000 0.851 120 E CB -0.086 29.660 29.700 0.077 0.000 0.795 120 E HN 0.429 nan 8.360 nan 0.000 0.492 121 G N -2.620 106.228 108.800 0.081 0.000 2.332 121 G HA2 0.506 4.517 3.960 0.086 0.000 0.265 121 G HA3 0.506 4.517 3.960 0.086 0.000 0.265 121 G C -0.927 174.062 174.900 0.149 0.000 1.329 121 G CA 0.145 45.161 45.100 -0.139 0.000 0.949 121 G HN 1.247 nan 8.290 nan 0.000 0.476 122 V N -0.877 119.119 119.914 0.138 0.000 2.656 122 V HA 1.011 5.182 4.120 0.086 0.000 0.307 122 V C 0.579 176.833 176.094 0.267 0.000 1.051 122 V CA 0.240 62.678 62.300 0.231 0.000 0.893 122 V CB 1.497 33.477 31.823 0.262 0.000 0.999 122 V HN 2.120 nan 8.190 nan 0.000 0.426 123 T N 2.777 117.481 114.554 0.249 0.000 2.829 123 T HA 0.882 5.284 4.350 0.086 0.000 0.282 123 T C -0.598 174.318 174.700 0.360 0.000 0.990 123 T CA -0.363 61.878 62.100 0.235 0.000 1.028 123 T CB 0.493 69.423 68.868 0.104 0.000 0.951 123 T HN 1.763 nan 8.240 nan 0.000 0.460 124 F N -0.594 119.383 119.950 0.046 0.000 2.631 124 F HA 0.831 5.410 4.527 0.086 0.000 0.308 124 F C -0.160 175.668 175.800 0.047 0.000 1.097 124 F CA -1.956 56.078 58.000 0.057 0.000 0.952 124 F CB 0.433 39.488 39.000 0.092 0.000 1.307 124 F HN 0.738 nan 8.300 nan 0.000 0.450 134 M N 1.756 121.170 119.600 -0.310 0.000 2.321 134 M HA 0.871 5.403 4.480 0.086 0.000 0.315 134 M C -1.620 174.741 176.300 0.103 0.000 1.052 134 M CA -1.070 54.213 55.300 -0.028 0.000 0.936 134 M CB 0.962 33.526 32.600 -0.059 0.000 1.639 134 M HN 1.100 nan 8.290 nan 0.000 0.433 135 L N 3.105 124.419 121.223 0.152 0.000 2.410 135 L HA 0.958 5.350 4.340 0.086 0.000 0.270 135 L C 0.114 176.706 176.870 -0.463 0.000 0.983 135 L CA -0.424 54.329 54.840 -0.146 0.000 0.822 135 L CB 2.309 44.313 42.059 -0.090 0.000 1.285 135 L HN 1.217 nan 8.230 nan 0.000 0.409 136 S N 3.056 118.313 115.700 -0.739 0.000 2.638 136 S HA 0.699 5.221 4.470 0.086 0.000 0.274 136 S C -2.565 171.517 174.600 -0.864 0.000 1.157 136 S CA -1.155 56.555 58.200 -0.817 0.000 0.826 136 S CB 1.736 64.684 63.200 -0.421 0.000 1.139 136 S HN 0.330 nan 8.310 nan 0.000 0.474 137 P HA -0.094 nan 4.420 nan 0.000 0.216 137 P C 0.948 178.160 177.300 -0.148 0.000 1.150 137 P CA 1.503 64.488 63.100 -0.192 0.000 0.843 137 P CB -0.003 31.680 31.700 -0.029 0.000 0.787 138 E N -0.941 119.165 120.200 -0.156 0.000 2.047 138 E HA -0.170 4.232 4.350 0.086 0.000 0.191 138 E C 2.206 178.754 176.600 -0.087 0.000 0.987 138 E CA 0.947 57.300 56.400 -0.078 0.000 0.799 138 E CB -0.575 29.089 29.700 -0.061 0.000 0.752 138 E HN -0.037 nan 8.360 nan 0.000 0.449 139 R N 0.485 120.896 120.500 -0.148 0.000 2.081 139 R HA -0.042 4.350 4.340 0.086 0.000 0.235 139 R C 2.293 178.522 176.300 -0.118 0.000 1.131 139 R CA 1.741 57.764 56.100 -0.128 0.000 0.960 139 R CB -1.018 29.187 30.300 -0.158 0.000 0.856 139 R HN 0.130 nan 8.270 nan 0.000 0.436 140 S N -0.487 115.090 115.700 -0.205 0.000 2.359 140 S HA -0.097 4.425 4.470 0.086 0.000 0.224 140 S C 1.728 176.333 174.600 0.009 0.000 1.035 140 S CA 1.422 59.546 58.200 -0.127 0.000 1.018 140 S CB -0.268 62.804 63.200 -0.214 0.000 0.876 140 S HN 0.279 nan 8.310 nan 0.000 0.448 141 I N 1.700 122.289 120.570 0.033 0.000 2.315 141 I HA -0.023 4.199 4.170 0.086 0.000 0.248 141 I C 2.394 178.577 176.117 0.110 0.000 1.117 141 I CA 1.260 62.625 61.300 0.107 0.000 1.404 141 I CB -0.976 37.106 38.000 0.137 0.000 1.071 141 I HN 0.392 nan 8.210 nan 0.000 0.419 142 E N 0.952 121.196 120.200 0.074 0.000 2.106 142 E HA -0.148 4.254 4.350 0.086 0.000 0.192 142 E C 2.198 178.853 176.600 0.092 0.000 0.984 142 E CA 1.346 57.814 56.400 0.113 0.000 0.806 142 E CB -0.317 29.419 29.700 0.059 0.000 0.750 142 E HN 0.487 nan 8.360 nan 0.000 0.458 143 I N 0.539 121.134 120.570 0.042 0.000 2.142 143 I HA -0.300 3.922 4.170 0.086 0.000 0.240 143 I C 2.513 178.659 176.117 0.048 0.000 1.078 143 I CA 1.501 62.814 61.300 0.021 0.000 1.343 143 I CB -0.344 37.661 38.000 0.008 0.000 1.046 143 I HN 0.218 nan 8.210 nan 0.000 0.405 144 Q N -0.508 119.342 119.800 0.083 0.000 2.181 144 Q HA -0.285 4.106 4.340 0.086 0.000 0.205 144 Q C 2.140 178.224 176.000 0.140 0.000 0.980 144 Q CA 1.607 57.471 55.803 0.103 0.000 0.862 144 Q CB -0.356 28.456 28.738 0.122 0.000 0.905 144 Q HN 0.529 nan 8.270 nan 0.000 0.429 145 H N 1.191 120.279 119.070 0.030 0.000 2.290 145 H HA -0.092 4.515 4.556 0.086 0.000 0.298 145 H C 1.777 177.107 175.328 0.003 0.000 1.087 145 H CA 1.601 57.653 56.048 0.006 0.000 1.291 145 H CB -0.336 29.416 29.762 -0.016 0.000 1.369 145 H HN 0.145 nan 8.280 nan 0.000 0.492 146 L N -0.256 120.891 121.223 -0.126 0.000 2.131 146 L HA -0.164 4.228 4.340 0.086 0.000 0.210 146 L C 2.592 179.400 176.870 -0.104 0.000 1.092 146 L CA 0.904 55.629 54.840 -0.192 0.000 0.759 146 L CB -0.373 41.611 42.059 -0.125 0.000 0.903 146 L HN 0.283 nan 8.230 nan 0.000 0.435 147 L N -0.417 120.784 121.223 -0.037 0.000 2.217 147 L HA -0.013 4.378 4.340 0.086 0.000 0.211 147 L C 1.499 178.390 176.870 0.035 0.000 1.107 147 L CA 0.814 55.646 54.840 -0.013 0.000 0.783 147 L CB -0.671 41.390 42.059 0.003 0.000 0.919 147 L HN 0.525 nan 8.230 nan 0.000 0.442 148 G N 0.405 109.246 108.800 0.068 0.000 2.149 148 G HA2 -0.283 3.729 3.960 0.086 0.000 0.235 148 G HA3 -0.283 3.729 3.960 0.086 0.000 0.235 148 G C 0.353 175.381 174.900 0.214 0.000 1.018 148 G CA 0.386 45.573 45.100 0.146 0.000 0.728 148 G HN 0.341 nan 8.290 nan 0.000 0.508 149 S N -0.606 115.184 115.700 0.151 0.000 2.558 149 S HA 0.216 4.738 4.470 0.086 0.000 0.287 149 S C 1.423 176.138 174.600 0.191 0.000 1.321 149 S CA 0.863 59.149 58.200 0.143 0.000 1.048 149 S CB 0.430 63.687 63.200 0.096 0.000 0.844 149 S HN 0.320 nan 8.310 nan 0.000 0.512 150 D N 2.562 123.079 120.400 0.195 0.000 2.201 150 D HA 0.143 4.834 4.640 0.086 0.000 0.209 150 D C 0.248 176.635 176.300 0.146 0.000 0.961 150 D CA 0.947 55.061 54.000 0.190 0.000 0.861 150 D CB 0.201 41.129 40.800 0.213 0.000 0.997 150 D HN 0.498 nan 8.370 nan 0.000 0.486 151 I N 2.294 122.898 120.570 0.056 0.000 2.382 151 I HA 0.168 4.390 4.170 0.086 0.000 0.286 151 I C -0.502 175.575 176.117 -0.065 0.000 1.002 151 I CA -0.641 60.622 61.300 -0.061 0.000 1.135 151 I CB 2.403 40.226 38.000 -0.295 0.000 1.288 151 I HN -0.337 nan 8.210 nan 0.000 0.448 152 V N 6.610 126.535 119.914 0.018 0.000 2.439 152 V HA 0.381 4.553 4.120 0.086 0.000 0.282 152 V C 0.386 176.479 176.094 -0.001 0.000 1.039 152 V CA -0.552 61.788 62.300 0.067 0.000 0.913 152 V CB 1.447 33.414 31.823 0.240 0.000 0.983 152 V HN 0.579 nan 8.190 nan 0.000 0.460 153 M N 3.557 123.169 119.600 0.021 0.000 2.264 153 M HA 0.520 5.052 4.480 0.086 0.000 0.352 153 M C 0.351 176.679 176.300 0.047 0.000 1.173 153 M CA -0.525 54.785 55.300 0.016 0.000 1.075 153 M CB 1.217 33.835 32.600 0.030 0.000 1.621 153 M HN 0.747 nan 8.290 nan 0.000 0.457 154 A N 3.216 126.025 122.820 -0.019 0.000 2.520 154 A HA 0.158 4.529 4.320 0.086 0.000 0.235 154 A C -0.419 177.236 177.584 0.119 0.000 1.065 154 A CA -0.076 51.978 52.037 0.029 0.000 0.764 154 A CB -0.125 18.799 19.000 -0.126 0.000 1.002 154 A HN 0.760 nan 8.150 nan 0.000 0.502 155 F N 2.823 122.804 119.950 0.052 0.000 2.456 155 F HA 0.418 4.996 4.527 0.085 0.000 0.358 155 F C 0.271 176.201 175.800 0.218 0.000 1.095 155 F CA 0.058 58.101 58.000 0.072 0.000 1.216 155 F CB 0.600 39.582 39.000 -0.030 0.000 1.125 155 F HN 0.756 nan 8.300 nan 0.000 0.549 156 D N 3.306 123.377 120.400 -0.549 0.000 2.552 156 D HA 0.392 5.084 4.640 0.086 0.000 0.239 156 D C -1.451 174.661 176.300 -0.314 0.000 1.139 156 D CA -0.505 53.362 54.000 -0.222 0.000 0.914 156 D CB 1.481 42.205 40.800 -0.126 0.000 1.461 156 D HN 0.557 nan 8.370 nan 0.000 0.462 157 E N 0.113 120.242 120.200 -0.119 0.000 2.376 157 E HA 0.465 4.867 4.350 0.086 0.000 0.236 157 E C -0.267 176.270 176.600 -0.105 0.000 0.962 157 E CA -0.896 55.445 56.400 -0.098 0.000 0.768 157 E CB -0.015 29.595 29.700 -0.150 0.000 1.236 157 E HN 0.676 nan 8.360 nan 0.000 0.431 158 C N 2.706 121.957 119.300 -0.081 0.000 2.465 158 C HA 0.168 4.680 4.460 0.086 0.000 0.402 158 C C 1.134 176.100 174.990 -0.040 0.000 1.448 158 C CA 0.877 59.872 59.018 -0.038 0.000 1.589 158 C CB -0.733 27.005 27.740 -0.004 0.000 2.535 158 C HN 0.702 nan 8.230 nan 0.000 0.600 159 T N 8.577 123.123 114.554 -0.012 0.000 2.987 159 T HA 0.190 4.592 4.350 0.086 0.000 0.288 159 T C -2.031 172.690 174.700 0.035 0.000 0.981 159 T CA -0.560 61.546 62.100 0.009 0.000 1.031 159 T CB -0.283 68.605 68.868 0.033 0.000 0.976 159 T HN 0.646 nan 8.240 nan 0.000 0.612 160 P HA -0.016 nan 4.420 nan 0.000 0.262 160 P C -0.714 176.627 177.300 0.068 0.000 1.182 160 P CA -0.302 62.813 63.100 0.025 0.000 0.761 160 P CB 0.260 31.947 31.700 -0.022 0.000 0.795 161 Y N 6.514 126.800 120.300 -0.024 0.000 2.327 161 Y HA 0.455 5.057 4.550 0.086 0.000 0.336 161 Y C -2.036 173.851 175.900 -0.022 0.000 1.035 161 Y CA -2.471 55.609 58.100 -0.033 0.000 1.165 161 Y CB 0.446 38.881 38.460 -0.041 0.000 1.181 161 Y HN 0.324 nan 8.280 nan 0.000 0.494 162 P HA 0.708 nan 4.420 nan 0.000 0.278 162 P C -1.009 176.246 177.300 -0.076 0.000 1.258 162 P CA 0.098 63.026 63.100 -0.286 0.000 0.811 162 P CB 2.227 33.727 31.700 -0.332 0.000 1.063 163 A N 0.151 123.002 122.820 0.053 0.000 3.371 163 A HA 0.362 4.734 4.320 0.086 0.000 0.114 163 A C 0.050 177.822 177.584 0.312 0.000 1.346 163 A CA 0.550 52.712 52.037 0.208 0.000 1.555 163 A CB -1.238 17.895 19.000 0.222 0.000 1.387 163 A HN 1.012 nan 8.150 nan 0.000 0.615 164 T N 1.005 115.715 114.554 0.260 0.000 0.569 164 T HA -0.065 4.336 4.350 0.086 0.000 0.770 164 T C -1.000 173.670 174.700 -0.050 0.000 0.992 164 T CA 1.090 63.250 62.100 0.099 0.000 4.060 164 T CB -0.414 68.470 68.868 0.026 0.000 2.292 164 T HN 0.355 nan 8.240 nan 0.000 0.395 165 P HA -0.044 nan 4.420 nan 0.000 0.214 165 P C 1.795 178.908 177.300 -0.311 0.000 1.163 165 P CA 2.365 65.011 63.100 -0.756 0.000 0.889 165 P CB -0.366 30.904 31.700 -0.717 0.000 0.790 166 S N -1.623 113.962 115.700 -0.191 0.000 2.660 166 S HA 0.141 4.662 4.470 0.086 0.000 0.223 166 S C 1.972 176.529 174.600 -0.071 0.000 0.963 166 S CA 0.982 59.113 58.200 -0.116 0.000 0.932 166 S CB -0.878 62.266 63.200 -0.092 0.000 0.775 166 S HN 0.135 nan 8.310 nan 0.000 0.531 167 R N 0.153 120.621 120.500 -0.052 0.000 2.121 167 R HA 0.673 5.065 4.340 0.086 0.000 0.206 167 R C 2.457 178.761 176.300 0.007 0.000 1.094 167 R CA 1.226 57.316 56.100 -0.017 0.000 1.055 167 R CB -1.333 28.969 30.300 0.004 0.000 0.964 167 R HN 0.612 nan 8.270 nan 0.000 0.473 168 A N 0.817 123.673 122.820 0.059 0.000 2.067 168 A HA 0.329 4.701 4.320 0.086 0.000 0.219 168 A C 2.538 180.160 177.584 0.064 0.000 1.158 168 A CA 1.683 53.797 52.037 0.129 0.000 0.661 168 A CB -0.483 18.744 19.000 0.378 0.000 0.801 168 A HN 0.903 nan 8.150 nan 0.000 0.452 169 A N -1.078 121.748 122.820 0.009 0.000 2.132 169 A HA 0.413 4.784 4.320 0.086 0.000 0.213 169 A C 2.353 179.911 177.584 -0.044 0.000 1.154 169 A CA 1.466 53.493 52.037 -0.016 0.000 0.753 169 A CB -0.726 18.249 19.000 -0.042 0.000 0.826 169 A HN 0.662 nan 8.150 nan 0.000 0.469 170 S N 0.047 115.717 115.700 -0.050 0.000 2.335 170 S HA -0.111 4.411 4.470 0.086 0.000 0.217 170 S C 2.266 176.802 174.600 -0.107 0.000 1.032 170 S CA 1.905 60.062 58.200 -0.071 0.000 0.985 170 S CB -0.789 62.375 63.200 -0.060 0.000 0.896 170 S HN 0.523 nan 8.310 nan 0.000 0.445 171 S N 0.371 116.016 115.700 -0.092 0.000 2.374 171 S HA -0.177 4.345 4.470 0.086 0.000 0.227 171 S C 2.110 176.623 174.600 -0.146 0.000 1.037 171 S CA 2.024 60.149 58.200 -0.126 0.000 1.024 171 S CB -0.395 62.763 63.200 -0.070 0.000 0.861 171 S HN 0.561 nan 8.310 nan 0.000 0.456 172 M N 1.548 121.099 119.600 -0.081 0.000 2.117 172 M HA -0.066 4.466 4.480 0.086 0.000 0.262 172 M C 2.240 178.479 176.300 -0.101 0.000 1.065 172 M CA 2.394 57.653 55.300 -0.068 0.000 1.114 172 M CB -1.641 30.952 32.600 -0.011 0.000 1.361 172 M HN 0.575 nan 8.290 nan 0.000 0.408 173 E N 0.615 120.752 120.200 -0.105 0.000 2.033 173 E HA -0.258 4.143 4.350 0.086 0.000 0.199 173 E C 2.186 178.673 176.600 -0.188 0.000 1.011 173 E CA 3.051 59.385 56.400 -0.111 0.000 0.815 173 E CB -1.599 28.045 29.700 -0.095 0.000 0.755 173 E HN 0.745 nan 8.360 nan 0.000 0.451 174 R N 0.449 120.760 120.500 -0.315 0.000 2.091 174 R HA -0.065 4.327 4.340 0.086 0.000 0.238 174 R C 2.788 178.680 176.300 -0.680 0.000 1.136 174 R CA 2.026 57.761 56.100 -0.609 0.000 0.959 174 R CB -1.532 28.248 30.300 -0.867 0.000 0.856 174 R HN 0.477 nan 8.270 nan 0.000 0.437 175 S N 0.178 115.613 115.700 -0.442 0.000 2.365 175 S HA -0.153 4.369 4.470 0.086 0.000 0.225 175 S C 2.156 176.743 174.600 -0.022 0.000 1.039 175 S CA 1.790 59.871 58.200 -0.198 0.000 1.033 175 S CB -0.215 62.908 63.200 -0.128 0.000 0.887 175 S HN 0.529 nan 8.310 nan 0.000 0.447 176 M N 0.932 120.509 119.600 -0.037 0.000 2.175 176 M HA 0.009 4.541 4.480 0.086 0.000 0.264 176 M C 1.969 178.325 176.300 0.094 0.000 1.063 176 M CA 1.345 56.673 55.300 0.046 0.000 1.119 176 M CB -1.248 31.370 32.600 0.029 0.000 1.377 176 M HN 0.267 nan 8.290 nan 0.000 0.415 177 R N -1.439 119.084 120.500 0.038 0.000 2.148 177 R HA -0.150 4.241 4.340 0.086 0.000 0.223 177 R C 2.000 178.491 176.300 0.318 0.000 1.088 177 R CA 0.925 57.101 56.100 0.128 0.000 0.985 177 R CB -0.202 30.140 30.300 0.069 0.000 0.880 177 R HN 0.380 nan 8.270 nan 0.000 0.451 178 W N 0.699 122.053 121.300 0.090 0.000 2.467 178 W HA 0.134 4.845 4.660 0.086 0.000 0.275 178 W C 2.275 178.878 176.519 0.140 0.000 1.239 178 W CA 0.262 57.684 57.345 0.127 0.000 1.266 178 W CB -0.683 28.859 29.460 0.135 0.000 1.112 178 W HN 0.133 nan 8.180 nan 0.000 0.576 179 A N 0.364 123.387 122.820 0.338 0.000 1.898 179 A HA -0.198 4.174 4.320 0.086 0.000 0.216 179 A C 2.043 179.854 177.584 0.379 0.000 1.181 179 A CA 2.127 54.348 52.037 0.307 0.000 0.620 179 A CB -0.594 18.546 19.000 0.234 0.000 0.819 179 A HN 0.073 nan 8.150 nan 0.000 0.442 180 K N 0.336 120.909 120.400 0.287 0.000 2.057 180 K HA -0.095 4.277 4.320 0.086 0.000 0.207 180 K C 2.040 178.749 176.600 0.182 0.000 1.049 180 K CA 1.808 58.214 56.287 0.199 0.000 0.931 180 K CB -0.411 32.178 32.500 0.149 0.000 0.714 180 K HN 0.441 nan 8.250 nan 0.000 0.440 181 R N -0.181 120.447 120.500 0.213 0.000 2.096 181 R HA -0.021 4.371 4.340 0.086 0.000 0.235 181 R C 2.349 178.742 176.300 0.156 0.000 1.127 181 R CA 1.624 57.825 56.100 0.168 0.000 0.968 181 R CB -0.218 30.185 30.300 0.173 0.000 0.861 181 R HN 0.183 nan 8.270 nan 0.000 0.440 182 S N 0.458 116.280 115.700 0.202 0.000 2.368 182 S HA -0.150 4.371 4.470 0.086 0.000 0.224 182 S C 1.767 176.489 174.600 0.203 0.000 1.029 182 S CA 1.284 59.601 58.200 0.195 0.000 0.988 182 S CB -0.203 63.124 63.200 0.213 0.000 0.838 182 S HN 0.250 nan 8.310 nan 0.000 0.462 183 R N 1.905 122.530 120.500 0.208 0.000 2.103 183 R HA -0.134 4.258 4.340 0.086 0.000 0.242 183 R C 1.396 177.768 176.300 0.121 0.000 1.142 183 R CA 1.949 58.111 56.100 0.104 0.000 0.960 183 R CB -0.571 29.696 30.300 -0.055 0.000 0.858 183 R HN 0.217 nan 8.270 nan 0.000 0.439 184 D N -0.206 120.258 120.400 0.107 0.000 2.123 184 D HA -0.023 4.669 4.640 0.086 0.000 0.200 184 D C 1.737 178.094 176.300 0.095 0.000 0.976 184 D CA 1.559 55.610 54.000 0.086 0.000 0.831 184 D CB -0.346 40.494 40.800 0.067 0.000 0.974 184 D HN 0.397 nan 8.370 nan 0.000 0.469 185 A N 0.448 123.332 122.820 0.108 0.000 1.902 185 A HA -0.165 4.207 4.320 0.086 0.000 0.217 185 A C 2.091 179.736 177.584 0.101 0.000 1.181 185 A CA 0.958 53.044 52.037 0.083 0.000 0.623 185 A CB -0.966 18.077 19.000 0.073 0.000 0.818 185 A HN 0.259 nan 8.150 nan 0.000 0.443 186 F N 1.403 121.349 119.950 -0.006 0.000 2.102 186 F HA -0.172 4.406 4.527 0.085 0.000 0.298 186 F C 1.586 177.356 175.800 -0.051 0.000 1.105 186 F CA 2.117 60.100 58.000 -0.029 0.000 1.239 186 F CB -0.149 38.860 39.000 0.014 0.000 0.991 186 F HN 0.241 nan 8.300 nan 0.000 0.474 187 D N -0.512 120.032 120.400 0.241 0.000 2.269 187 D HA -0.100 4.592 4.640 0.086 0.000 0.208 187 D C 2.354 178.646 176.300 -0.015 0.000 0.963 187 D CA 1.063 55.128 54.000 0.108 0.000 0.864 187 D CB -0.151 40.721 40.800 0.120 0.000 0.936 187 D HN 0.277 nan 8.370 nan 0.000 0.505 188 S N 0.163 115.852 115.700 -0.019 0.000 2.406 188 S HA 0.005 4.526 4.470 0.086 0.000 0.228 188 S C 0.929 175.472 174.600 -0.095 0.000 1.020 188 S CA 0.317 58.492 58.200 -0.041 0.000 0.965 188 S CB 0.208 63.396 63.200 -0.019 0.000 0.798 188 S HN 0.209 nan 8.310 nan 0.000 0.488 189 R N 1.755 122.149 120.500 -0.176 0.000 2.308 189 R HA 0.285 4.676 4.340 0.086 0.000 0.325 189 R C 1.115 177.228 176.300 -0.310 0.000 1.161 189 R CA -0.023 55.905 56.100 -0.287 0.000 1.022 189 R CB 0.203 30.204 30.300 -0.499 0.000 1.091 189 R HN 0.241 nan 8.270 nan 0.000 0.497 190 K N 2.937 123.226 120.400 -0.186 0.000 2.366 190 K HA -0.107 4.265 4.320 0.086 0.000 0.198 190 K C 1.543 178.056 176.600 -0.146 0.000 1.044 190 K CA 1.161 57.360 56.287 -0.146 0.000 0.973 190 K CB -0.179 32.275 32.500 -0.077 0.000 0.767 190 K HN 0.660 nan 8.250 nan 0.000 0.475 191 E N 0.261 120.371 120.200 -0.150 0.000 2.107 191 E HA -0.240 4.161 4.350 0.086 0.000 0.191 191 E C 2.003 178.515 176.600 -0.146 0.000 0.982 191 E CA 1.269 57.617 56.400 -0.087 0.000 0.809 191 E CB -0.319 29.387 29.700 0.011 0.000 0.756 191 E HN 0.732 nan 8.360 nan 0.000 0.459 192 Q N 0.836 120.436 119.800 -0.332 0.000 2.046 192 Q HA -0.042 4.350 4.340 0.086 0.000 0.200 192 Q C 2.241 177.893 176.000 -0.581 0.000 0.975 192 Q CA 1.665 57.178 55.803 -0.483 0.000 0.836 192 Q CB -0.144 28.121 28.738 -0.789 0.000 0.896 192 Q HN 0.353 nan 8.270 nan 0.000 0.428 193 A N 0.747 123.202 122.820 -0.608 0.000 1.930 193 A HA -0.198 4.174 4.320 0.086 0.000 0.217 193 A C 1.697 179.229 177.584 -0.086 0.000 1.175 193 A CA 1.587 53.399 52.037 -0.375 0.000 0.627 193 A CB -0.438 18.446 19.000 -0.193 0.000 0.815 193 A HN 0.505 nan 8.150 nan 0.000 0.443 194 E N -0.324 119.825 120.200 -0.084 0.000 2.274 194 E HA -0.064 4.337 4.350 0.086 0.000 0.194 194 E C 0.763 177.373 176.600 0.017 0.000 0.996 194 E CA 0.884 57.276 56.400 -0.013 0.000 0.840 194 E CB -0.051 29.639 29.700 -0.017 0.000 0.772 194 E HN 0.619 nan 8.360 nan 0.000 0.491 195 N N -0.558 118.141 118.700 -0.002 0.000 2.166 195 N HA 0.183 4.974 4.740 0.086 0.000 0.213 195 N C -0.234 175.328 175.510 0.086 0.000 1.222 195 N CA 0.112 53.186 53.050 0.040 0.000 0.900 195 N CB 1.603 40.103 38.487 0.022 0.000 1.055 195 N HN -0.043 nan 8.380 nan 0.000 0.515 196 A N 0.394 123.273 122.820 0.098 0.000 2.486 196 A HA 0.884 5.256 4.320 0.086 0.000 0.289 196 A C -1.233 176.561 177.584 0.350 0.000 1.176 196 A CA -0.527 51.629 52.037 0.197 0.000 0.757 196 A CB 1.514 20.616 19.000 0.171 0.000 1.337 196 A HN 0.058 nan 8.150 nan 0.000 0.423 197 A N -0.435 122.565 122.820 0.301 0.000 2.356 197 A HA 0.745 5.117 4.320 0.086 0.000 0.323 197 A C -1.299 176.281 177.584 -0.007 0.000 1.119 197 A CA -0.447 51.639 52.037 0.081 0.000 0.790 197 A CB 1.184 20.003 19.000 -0.302 0.000 1.273 197 A HN 1.616 nan 8.150 nan 0.000 0.452 198 L N 1.525 122.530 121.223 -0.362 0.000 2.333 198 L HA 0.776 5.167 4.340 0.086 0.000 0.280 198 L C -1.793 175.056 176.870 -0.035 0.000 1.004 198 L CA -0.283 54.292 54.840 -0.442 0.000 0.820 198 L CB 0.913 42.290 42.059 -1.137 0.000 1.247 198 L HN 0.523 nan 8.230 nan 0.000 0.416 199 F N 2.714 122.470 119.950 -0.323 0.000 2.443 199 F HA 0.753 5.333 4.527 0.088 0.000 0.335 199 F C 0.952 176.352 175.800 -0.668 0.000 1.104 199 F CA -0.932 56.830 58.000 -0.397 0.000 1.013 199 F CB 1.903 40.764 39.000 -0.231 0.000 1.136 199 F HN 0.566 nan 8.300 nan 0.000 0.470 200 G N 2.781 110.994 108.800 -0.979 0.000 2.437 200 G HA2 0.647 4.659 3.960 0.086 0.000 0.319 200 G HA3 0.647 4.659 3.960 0.086 0.000 0.319 200 G C -1.017 173.612 174.900 -0.451 0.000 1.158 200 G CA -0.575 43.784 45.100 -1.234 0.000 0.899 200 G HN 0.536 nan 8.290 nan 0.000 0.502 201 I N 0.728 121.120 120.570 -0.297 0.000 2.418 201 I HA 0.213 4.434 4.170 0.086 0.000 0.287 201 I C 0.050 176.120 176.117 -0.079 0.000 1.008 201 I CA -0.535 60.680 61.300 -0.142 0.000 1.104 201 I CB 2.095 40.017 38.000 -0.129 0.000 1.264 201 I HN 0.393 nan 8.210 nan 0.000 0.438 202 Q N 6.106 125.882 119.800 -0.040 0.000 2.296 202 Q HA 0.215 4.607 4.340 0.086 0.000 0.262 202 Q C -0.860 175.123 176.000 -0.028 0.000 0.981 202 Q CA -0.160 55.634 55.803 -0.015 0.000 0.905 202 Q CB 1.107 29.842 28.738 -0.005 0.000 1.186 202 Q HN 0.524 nan 8.270 nan 0.000 0.399 203 Q N 1.118 120.911 119.800 -0.012 0.000 2.852 203 Q HA 0.579 4.971 4.340 0.086 0.000 0.262 203 Q C 0.196 176.215 176.000 0.031 0.000 1.051 203 Q CA -0.007 55.794 55.803 -0.003 0.000 0.894 203 Q CB 1.759 30.487 28.738 -0.017 0.000 1.381 203 Q HN 0.945 nan 8.270 nan 0.000 0.501 204 G N -0.647 108.186 108.800 0.056 0.000 2.273 204 G HA2 -0.162 3.850 3.960 0.086 0.000 0.162 204 G HA3 -0.162 3.850 3.960 0.086 0.000 0.162 204 G C 0.370 175.342 174.900 0.121 0.000 1.006 204 G CA 0.652 45.825 45.100 0.121 0.000 0.704 204 G HN 0.703 nan 8.290 nan 0.000 0.487 205 S N -2.269 113.450 115.700 0.031 0.000 3.762 205 S HA -0.334 4.188 4.470 0.086 0.000 0.627 205 S C 1.604 176.095 174.600 -0.182 0.000 2.389 205 S CA 3.099 61.248 58.200 -0.084 0.000 3.978 205 S CB -1.240 61.886 63.200 -0.124 0.000 0.234 205 S HN 2.007 nan 8.310 nan 0.000 0.960 206 V N -0.024 119.624 119.914 -0.444 0.000 3.249 206 V HA 0.566 4.738 4.120 0.086 0.000 0.338 206 V C -0.029 175.942 176.094 -0.205 0.000 1.363 206 V CA 0.064 62.209 62.300 -0.258 0.000 1.205 206 V CB -0.604 31.082 31.823 -0.229 0.000 1.164 206 V HN 0.449 nan 8.190 nan 0.000 0.458 207 F N 1.208 121.235 119.950 0.127 0.000 2.404 207 F HA 0.481 5.060 4.527 0.087 0.000 0.358 207 F C 1.589 177.375 175.800 -0.024 0.000 1.120 207 F CA -0.929 57.091 58.000 0.035 0.000 1.144 207 F CB 1.319 40.326 39.000 0.011 0.000 1.133 207 F HN 0.210 nan 8.300 nan 0.000 0.495 208 E N 2.937 123.071 120.200 -0.110 0.000 2.160 208 E HA -0.271 4.131 4.350 0.086 0.000 0.195 208 E C 1.853 178.369 176.600 -0.139 0.000 0.991 208 E CA 1.774 57.893 56.400 -0.469 0.000 0.810 208 E CB 0.070 29.187 29.700 -0.972 0.000 0.742 208 E HN 0.746 nan 8.360 nan 0.000 0.466 209 N N 0.647 119.320 118.700 -0.046 0.000 2.290 209 N HA -0.138 4.653 4.740 0.086 0.000 0.179 209 N C 2.015 177.537 175.510 0.020 0.000 1.016 209 N CA 0.796 53.830 53.050 -0.028 0.000 0.871 209 N CB -0.422 38.039 38.487 -0.044 0.000 0.987 209 N HN 0.282 nan 8.380 nan 0.000 0.431 210 L N 0.174 121.448 121.223 0.085 0.000 2.141 210 L HA 0.040 4.432 4.340 0.086 0.000 0.209 210 L C 2.758 179.680 176.870 0.087 0.000 1.094 210 L CA 0.700 55.596 54.840 0.094 0.000 0.763 210 L CB -0.336 41.830 42.059 0.178 0.000 0.908 210 L HN 0.100 nan 8.230 nan 0.000 0.437 211 R N 0.247 120.814 120.500 0.112 0.000 2.066 211 R HA -0.186 4.206 4.340 0.086 0.000 0.232 211 R C 2.200 178.538 176.300 0.063 0.000 1.131 211 R CA 1.335 57.498 56.100 0.105 0.000 0.955 211 R CB -0.510 29.907 30.300 0.194 0.000 0.851 211 R HN 0.302 nan 8.270 nan 0.000 0.432 212 Q N 1.231 121.058 119.800 0.046 0.000 2.096 212 Q HA -0.181 4.211 4.340 0.086 0.000 0.204 212 Q C 1.999 178.005 176.000 0.010 0.000 0.982 212 Q CA 1.801 57.615 55.803 0.017 0.000 0.850 212 Q CB -0.306 28.430 28.738 -0.004 0.000 0.901 212 Q HN 0.304 nan 8.270 nan 0.000 0.422 213 Q N -0.832 118.975 119.800 0.013 0.000 2.224 213 Q HA -0.111 4.281 4.340 0.086 0.000 0.203 213 Q C 1.939 177.950 176.000 0.019 0.000 0.970 213 Q CA 1.452 57.261 55.803 0.010 0.000 0.865 213 Q CB -0.149 28.592 28.738 0.005 0.000 0.922 213 Q HN 0.452 nan 8.270 nan 0.000 0.445 214 S N -0.509 115.207 115.700 0.025 0.000 2.414 214 S HA -0.024 4.498 4.470 0.086 0.000 0.227 214 S C 1.893 176.516 174.600 0.038 0.000 1.022 214 S CA 0.864 59.083 58.200 0.032 0.000 0.958 214 S CB -0.096 63.121 63.200 0.028 0.000 0.797 214 S HN 0.490 nan 8.310 nan 0.000 0.493 215 A N 1.942 124.770 122.820 0.015 0.000 1.877 215 A HA -0.126 4.246 4.320 0.086 0.000 0.216 215 A C 1.908 179.484 177.584 -0.013 0.000 1.186 215 A CA 1.895 53.920 52.037 -0.020 0.000 0.620 215 A CB -0.934 18.035 19.000 -0.051 0.000 0.822 215 A HN 0.596 nan 8.150 nan 0.000 0.443 216 D N 0.192 120.592 120.400 -0.001 0.000 2.097 216 D HA -0.096 4.596 4.640 0.086 0.000 0.195 216 D C 2.279 178.604 176.300 0.043 0.000 0.989 216 D CA 1.567 55.572 54.000 0.009 0.000 0.827 216 D CB -0.518 40.285 40.800 0.005 0.000 0.966 216 D HN 0.435 nan 8.370 nan 0.000 0.456 217 A N 1.266 124.121 122.820 0.058 0.000 1.865 217 A HA -0.155 4.217 4.320 0.086 0.000 0.217 217 A C 2.491 180.168 177.584 0.155 0.000 1.191 217 A CA 1.102 53.191 52.037 0.086 0.000 0.623 217 A CB -0.946 18.101 19.000 0.078 0.000 0.826 217 A HN 0.178 nan 8.150 nan 0.000 0.444 218 L N -0.806 120.542 121.223 0.208 0.000 2.012 218 L HA -0.226 4.166 4.340 0.086 0.000 0.210 218 L C 3.025 180.154 176.870 0.431 0.000 1.073 218 L CA 1.297 56.389 54.840 0.420 0.000 0.748 218 L CB -0.586 41.725 42.059 0.419 0.000 0.891 218 L HN 0.441 nan 8.230 nan 0.000 0.431 219 A N -0.164 122.792 122.820 0.227 0.000 2.067 219 A HA -0.125 4.247 4.320 0.086 0.000 0.219 219 A C 2.352 179.994 177.584 0.096 0.000 1.158 219 A CA 1.582 53.710 52.037 0.151 0.000 0.661 219 A CB -0.636 18.345 19.000 -0.031 0.000 0.801 219 A HN 0.470 nan 8.150 nan 0.000 0.452 220 E N 0.217 120.463 120.200 0.077 0.000 2.107 220 E HA -0.031 4.371 4.350 0.086 0.000 0.191 220 E C 1.762 178.364 176.600 0.003 0.000 0.982 220 E CA 1.244 57.666 56.400 0.036 0.000 0.809 220 E CB -0.714 29.008 29.700 0.036 0.000 0.756 220 E HN 0.721 nan 8.360 nan 0.000 0.459 221 I N -0.582 119.992 120.570 0.006 0.000 2.233 221 I HA 0.248 4.470 4.170 0.086 0.000 0.243 221 I C 1.460 177.391 176.117 -0.310 0.000 1.093 221 I CA 1.107 62.317 61.300 -0.151 0.000 1.380 221 I CB 0.023 37.932 38.000 -0.153 0.000 1.067 221 I HN 0.460 nan 8.210 nan 0.000 0.413 222 G N 1.073 109.691 108.800 -0.303 0.000 3.439 222 G HA2 -0.137 3.875 3.960 0.086 0.000 0.686 222 G HA3 -0.137 3.875 3.960 0.086 0.000 0.686 222 G C -0.828 173.659 174.900 -0.689 0.000 1.075 222 G CA -0.888 44.046 45.100 -0.276 0.000 0.926 222 G HN 0.034 nan 8.290 nan 0.000 0.485 223 F N 0.643 120.484 119.950 -0.182 0.000 2.620 223 F HA 0.555 5.134 4.527 0.086 0.000 0.320 223 F C 1.116 176.613 175.800 -0.505 0.000 1.069 223 F CA -1.057 56.665 58.000 -0.464 0.000 0.953 223 F CB 1.514 40.069 39.000 -0.742 0.000 1.322 223 F HN 0.311 nan 8.300 nan 0.000 0.479 224 D N 0.364 120.530 120.400 -0.391 0.000 2.277 224 D HA 0.167 4.859 4.640 0.086 0.000 0.208 224 D C 0.675 176.556 176.300 -0.698 0.000 0.962 224 D CA 0.938 54.623 54.000 -0.525 0.000 0.865 224 D CB 0.360 40.594 40.800 -0.943 0.000 0.939 224 D HN 0.597 nan 8.370 nan 0.000 0.510 225 G N -0.907 107.132 108.800 -1.269 0.000 2.660 225 G HA2 0.484 4.495 3.960 0.086 0.000 0.290 225 G HA3 0.484 4.495 3.960 0.086 0.000 0.290 225 G C -2.036 171.975 174.900 -1.481 0.000 1.432 225 G CA -0.726 43.369 45.100 -1.674 0.000 0.807 225 G HN -0.066 nan 8.290 nan 0.000 0.485 226 Y N -0.076 119.932 120.300 -0.486 0.000 2.373 226 Y HA 0.675 5.277 4.550 0.086 0.000 0.336 226 Y C 0.525 176.415 175.900 -0.016 0.000 0.979 226 Y CA -0.609 57.390 58.100 -0.169 0.000 1.080 226 Y CB 2.365 40.788 38.460 -0.062 0.000 1.190 226 Y HN 0.808 nan 8.280 nan 0.000 0.446 227 A N 2.255 125.130 122.820 0.092 0.000 2.306 227 A HA 0.779 5.151 4.320 0.086 0.000 0.330 227 A C -1.047 176.490 177.584 -0.077 0.000 1.146 227 A CA -0.725 51.309 52.037 -0.005 0.000 0.827 227 A CB 0.865 19.776 19.000 -0.147 0.000 1.178 227 A HN 0.531 nan 8.150 nan 0.000 0.490 228 V N 2.496 122.325 119.914 -0.142 0.000 2.304 228 V HA 0.502 4.674 4.120 0.086 0.000 0.269 228 V C 0.988 176.986 176.094 -0.161 0.000 1.036 228 V CA 0.096 62.322 62.300 -0.122 0.000 0.840 228 V CB 0.642 32.402 31.823 -0.105 0.000 1.036 228 V HN 1.098 nan 8.190 nan 0.000 0.466 229 G N 2.622 111.345 108.800 -0.127 0.000 2.502 229 G HA2 0.527 4.539 3.960 0.086 0.000 0.305 229 G HA3 0.527 4.539 3.960 0.086 0.000 0.305 229 G C 0.957 175.816 174.900 -0.068 0.000 1.190 229 G CA 0.145 45.174 45.100 -0.117 0.000 0.933 229 G HN 1.505 nan 8.290 nan 0.000 0.503 230 G N -1.253 107.530 108.800 -0.029 0.000 2.168 230 G HA2 -0.206 3.806 3.960 0.086 0.000 0.263 230 G HA3 -0.206 3.806 3.960 0.086 0.000 0.263 230 G C 0.759 175.642 174.900 -0.028 0.000 0.977 230 G CA 0.549 45.655 45.100 0.011 0.000 0.659 230 G HN 0.729 nan 8.290 nan 0.000 0.533 231 L N 0.461 121.647 121.223 -0.062 0.000 2.769 231 L HA 0.680 5.072 4.340 0.086 0.000 0.240 231 L C 1.921 178.753 176.870 -0.063 0.000 1.163 231 L CA 0.773 55.555 54.840 -0.096 0.000 0.962 231 L CB 0.169 42.171 42.059 -0.094 0.000 1.258 231 L HN 0.574 nan 8.230 nan 0.000 0.513 232 A N -0.689 122.121 122.820 -0.017 0.000 3.012 232 A HA 0.594 4.966 4.320 0.086 0.000 0.295 232 A C -0.360 177.276 177.584 0.088 0.000 1.338 232 A CA -0.084 51.958 52.037 0.008 0.000 0.981 232 A CB 0.020 18.982 19.000 -0.065 0.000 1.091 232 A HN -0.006 nan 8.150 nan 0.000 0.602 233 V N -1.134 118.827 119.914 0.079 0.000 2.781 233 V HA 0.539 4.711 4.120 0.086 0.000 0.289 233 V C 0.728 176.931 176.094 0.181 0.000 1.275 233 V CA 0.381 62.766 62.300 0.141 0.000 0.936 233 V CB 1.124 33.066 31.823 0.197 0.000 1.074 233 V HN 1.434 nan 8.190 nan 0.000 0.444 234 G N 5.048 113.949 108.800 0.169 0.000 4.677 234 G HA2 -0.237 3.775 3.960 0.086 0.000 0.215 234 G HA3 -0.237 3.775 3.960 0.086 0.000 0.215 234 G C 0.138 175.138 174.900 0.166 0.000 1.506 234 G CA 0.195 45.459 45.100 0.273 0.000 1.016 234 G HN 0.923 nan 8.290 nan 0.000 0.653 235 Q N 2.484 122.260 119.800 -0.040 0.000 3.359 235 Q HA 0.366 4.758 4.340 0.086 0.000 0.378 235 Q C 1.190 177.121 176.000 -0.115 0.000 1.043 235 Q CA 0.788 56.436 55.803 -0.258 0.000 1.248 235 Q CB -0.261 28.137 28.738 -0.566 0.000 0.987 235 Q HN 1.080 nan 8.270 nan 0.000 0.436 236 G N 1.803 110.563 108.800 -0.065 0.000 2.712 236 G HA2 -0.139 3.873 3.960 0.086 0.000 0.258 236 G HA3 -0.139 3.873 3.960 0.086 0.000 0.258 236 G C 0.446 175.243 174.900 -0.172 0.000 1.241 236 G CA -0.251 44.798 45.100 -0.085 0.000 0.923 236 G HN 0.827 nan 8.290 nan 0.000 0.548 237 Q N -1.051 118.609 119.800 -0.234 0.000 2.050 237 Q HA -0.142 4.250 4.340 0.086 0.000 0.202 237 Q C 1.979 177.637 176.000 -0.570 0.000 0.980 237 Q CA 1.990 57.502 55.803 -0.486 0.000 0.840 237 Q CB -0.135 28.293 28.738 -0.517 0.000 0.898 237 Q HN 0.649 nan 8.270 nan 0.000 0.424 238 D N 0.250 120.466 120.400 -0.307 0.000 2.116 238 D HA -0.216 4.475 4.640 0.086 0.000 0.193 238 D C 1.690 177.940 176.300 -0.084 0.000 0.998 238 D CA 1.649 55.564 54.000 -0.142 0.000 0.836 238 D CB -0.169 40.595 40.800 -0.060 0.000 0.951 238 D HN 0.370 nan 8.370 nan 0.000 0.449 239 E N 0.135 120.271 120.200 -0.106 0.000 2.047 239 E HA -0.162 4.240 4.350 0.086 0.000 0.191 239 E C 2.018 178.550 176.600 -0.112 0.000 0.987 239 E CA 0.811 57.158 56.400 -0.088 0.000 0.799 239 E CB -0.227 29.407 29.700 -0.109 0.000 0.752 239 E HN 0.261 nan 8.360 nan 0.000 0.449 240 M N -0.373 119.136 119.600 -0.152 0.000 2.073 240 M HA -0.200 4.332 4.480 0.086 0.000 0.258 240 M C 1.480 177.812 176.300 0.054 0.000 1.070 240 M CA 1.790 57.030 55.300 -0.100 0.000 1.103 240 M CB -0.277 32.256 32.600 -0.111 0.000 1.321 240 M HN 0.166 nan 8.290 nan 0.000 0.405 241 F N 0.855 120.758 119.950 -0.078 0.000 2.134 241 F HA -0.167 4.411 4.527 0.085 0.000 0.299 241 F C 3.213 178.935 175.800 -0.130 0.000 1.097 241 F CA 1.985 59.943 58.000 -0.070 0.000 1.264 241 F CB -1.972 37.018 39.000 -0.017 0.000 1.001 241 F HN 0.327 nan 8.300 nan 0.000 0.479 242 R N 0.339 120.876 120.500 0.062 0.000 2.092 242 R HA -0.045 4.347 4.340 0.086 0.000 0.231 242 R C 2.294 178.362 176.300 -0.387 0.000 1.119 242 R CA 1.599 57.670 56.100 -0.049 0.000 0.970 242 R CB -1.761 28.561 30.300 0.036 0.000 0.864 242 R HN 0.236 nan 8.270 nan 0.000 0.440 243 V N 1.217 120.876 119.914 -0.425 0.000 2.407 243 V HA -0.183 3.989 4.120 0.086 0.000 0.248 243 V C 2.577 178.189 176.094 -0.803 0.000 1.055 243 V CA 1.736 63.532 62.300 -0.841 0.000 1.049 243 V CB -0.467 31.145 31.823 -0.352 0.000 0.662 243 V HN 0.499 nan 8.190 nan 0.000 0.455 244 L N -0.343 120.661 121.223 -0.366 0.000 2.109 244 L HA -0.130 4.261 4.340 0.086 0.000 0.207 244 L C 2.412 179.127 176.870 -0.259 0.000 1.086 244 L CA 1.284 55.977 54.840 -0.245 0.000 0.760 244 L CB -0.775 41.235 42.059 -0.082 0.000 0.910 244 L HN 0.349 nan 8.230 nan 0.000 0.437 245 D N 0.664 120.912 120.400 -0.253 0.000 2.133 245 D HA -0.227 4.465 4.640 0.086 0.000 0.195 245 D C 1.847 178.108 176.300 -0.064 0.000 0.997 245 D CA 1.793 55.718 54.000 -0.125 0.000 0.840 245 D CB -0.134 40.638 40.800 -0.046 0.000 0.947 245 D HN 0.500 nan 8.370 nan 0.000 0.452 246 F N -0.642 119.309 119.950 0.001 0.000 2.678 246 F HA 0.379 4.958 4.527 0.087 0.000 0.291 246 F C 2.189 177.972 175.800 -0.028 0.000 1.123 246 F CA -0.249 57.745 58.000 -0.009 0.000 1.395 246 F CB -0.445 38.556 39.000 0.001 0.000 1.121 246 F HN -0.268 nan 8.300 nan 0.000 0.592 247 S N 1.238 116.901 115.700 -0.062 0.000 2.357 247 S HA -0.078 4.444 4.470 0.086 0.000 0.221 247 S C 2.182 176.744 174.600 -0.063 0.000 1.031 247 S CA 1.405 59.615 58.200 0.017 0.000 0.982 247 S CB -0.504 62.647 63.200 -0.081 0.000 0.853 247 S HN 0.248 nan 8.310 nan 0.000 0.458 248 V N 2.716 122.556 119.914 -0.124 0.000 2.343 248 V HA -0.079 4.093 4.120 0.086 0.000 0.247 248 V C -0.951 175.020 176.094 -0.205 0.000 1.051 248 V CA 1.512 63.686 62.300 -0.210 0.000 1.036 248 V CB -1.911 29.815 31.823 -0.162 0.000 0.654 248 V HN 0.337 nan 8.190 nan 0.000 0.451 249 P HA -0.093 nan 4.420 nan 0.000 0.225 249 P C 1.712 178.974 177.300 -0.064 0.000 1.148 249 P CA 1.269 64.338 63.100 -0.051 0.000 0.779 249 P CB -0.127 31.574 31.700 0.003 0.000 0.780 250 M N -1.799 117.759 119.600 -0.071 0.000 2.394 250 M HA -0.030 4.501 4.480 0.086 0.000 0.264 250 M C 0.687 176.898 176.300 -0.148 0.000 1.073 250 M CA 0.871 56.128 55.300 -0.072 0.000 1.111 250 M CB -0.480 32.100 32.600 -0.033 0.000 1.401 250 M HN -0.099 nan 8.290 nan 0.000 0.448 251 L N 0.808 121.888 121.223 -0.238 0.000 2.417 251 L HA 0.234 4.626 4.340 0.086 0.000 0.268 251 L C -2.033 174.696 176.870 -0.236 0.000 1.158 251 L CA -2.194 52.430 54.840 -0.360 0.000 0.819 251 L CB -0.331 41.421 42.059 -0.512 0.000 1.112 251 L HN -0.231 nan 8.230 nan 0.000 0.458 252 P HA -0.074 nan 4.420 nan 0.000 0.260 252 P C 0.009 177.403 177.300 0.156 0.000 1.185 252 P CA 0.319 63.373 63.100 -0.077 0.000 0.763 252 P CB 0.466 32.094 31.700 -0.120 0.000 0.776 253 D N 3.101 123.584 120.400 0.140 0.000 2.149 253 D HA -0.208 4.484 4.640 0.086 0.000 0.198 253 D C 1.045 177.456 176.300 0.184 0.000 0.990 253 D CA 1.457 55.578 54.000 0.202 0.000 0.839 253 D CB -0.057 40.810 40.800 0.111 0.000 0.948 253 D HN 0.405 nan 8.370 nan 0.000 0.460 254 D N -0.976 119.522 120.400 0.162 0.000 2.328 254 D HA -0.029 4.663 4.640 0.086 0.000 0.226 254 D C 0.021 176.516 176.300 0.325 0.000 1.066 254 D CA 0.167 54.278 54.000 0.185 0.000 0.861 254 D CB 0.082 40.955 40.800 0.123 0.000 0.912 254 D HN 0.052 nan 8.370 nan 0.000 0.521 255 K N 0.828 121.387 120.400 0.265 0.000 2.340 255 K HA 0.478 4.850 4.320 0.086 0.000 0.244 255 K C -2.776 173.668 176.600 -0.260 0.000 0.973 255 K CA -2.443 53.947 56.287 0.172 0.000 0.828 255 K CB 1.329 33.991 32.500 0.270 0.000 1.226 255 K HN -0.135 nan 8.250 nan 0.000 0.437 256 P HA 0.037 nan 4.420 nan 0.000 0.267 256 P C -0.802 176.343 177.300 -0.259 0.000 1.200 256 P CA 0.264 62.894 63.100 -0.783 0.000 0.772 256 P CB 0.295 31.619 31.700 -0.626 0.000 0.855 257 H N 1.844 120.872 119.070 -0.069 0.000 2.587 257 H HA 0.287 4.895 4.556 0.086 0.000 0.325 257 H C -0.876 174.473 175.328 0.034 0.000 1.012 257 H CA -0.383 55.669 56.048 0.005 0.000 1.213 257 H CB 0.302 30.057 29.762 -0.011 0.000 1.431 257 H HN 0.381 nan 8.280 nan 0.000 0.492 258 Y N 4.316 124.652 120.300 0.060 0.000 2.328 258 Y HA 0.330 4.933 4.550 0.087 0.000 0.333 258 Y C -1.388 174.450 175.900 -0.103 0.000 0.958 258 Y CA -1.681 56.389 58.100 -0.049 0.000 1.167 258 Y CB 0.816 39.329 38.460 0.088 0.000 1.151 258 Y HN 0.478 nan 8.280 nan 0.000 0.470 259 L N 7.747 128.881 121.223 -0.148 0.000 2.268 259 L HA 0.428 4.820 4.340 0.086 0.000 0.289 259 L C -0.647 176.081 176.870 -0.237 0.000 1.064 259 L CA -0.201 54.513 54.840 -0.210 0.000 0.824 259 L CB 0.159 42.146 42.059 -0.119 0.000 1.202 259 L HN 0.720 nan 8.230 nan 0.000 0.433 260 M N 5.084 124.404 119.600 -0.467 0.000 2.200 260 M HA 0.283 4.815 4.480 0.086 0.000 0.355 260 M C 1.340 177.533 176.300 -0.178 0.000 1.283 260 M CA 0.585 55.601 55.300 -0.473 0.000 1.124 260 M CB 0.612 32.873 32.600 -0.564 0.000 1.625 260 M HN 0.877 nan 8.290 nan 0.000 0.463 261 G N 2.467 111.228 108.800 -0.066 0.000 2.160 261 G HA2 -0.175 3.837 3.960 0.086 0.000 0.251 261 G HA3 -0.175 3.837 3.960 0.086 0.000 0.251 261 G C -0.348 174.598 174.900 0.076 0.000 1.008 261 G CA -0.125 44.951 45.100 -0.039 0.000 0.724 261 G HN 0.587 nan 8.290 nan 0.000 0.514 262 V N -0.443 119.587 119.914 0.194 0.000 2.540 262 V HA 0.971 5.143 4.120 0.086 0.000 0.302 262 V C 0.745 177.089 176.094 0.416 0.000 1.035 262 V CA 0.416 62.881 62.300 0.275 0.000 0.873 262 V CB 1.440 33.443 31.823 0.301 0.000 0.992 262 V HN 1.441 nan 8.190 nan 0.000 0.428 263 G N 2.511 111.491 108.800 0.299 0.000 2.441 263 G HA2 0.573 4.585 3.960 0.086 0.000 0.225 263 G HA3 0.573 4.585 3.960 0.086 0.000 0.225 263 G C -0.506 174.469 174.900 0.126 0.000 1.200 263 G CA -0.020 45.194 45.100 0.189 0.000 0.947 263 G HN 0.841 nan 8.290 nan 0.000 0.484 264 K N 0.393 120.842 120.400 0.082 0.000 2.219 264 K HA 0.627 4.999 4.320 0.086 0.000 0.258 264 K C -1.159 175.325 176.600 -0.194 0.000 1.008 264 K CA -0.154 56.144 56.287 0.018 0.000 0.928 264 K CB -0.456 32.136 32.500 0.153 0.000 0.983 264 K HN 0.249 nan 8.250 nan 0.000 0.484 265 P HA -0.246 nan 4.420 nan 0.000 0.216 265 P C 0.765 177.871 177.300 -0.322 0.000 1.153 265 P CA 1.650 64.410 63.100 -0.565 0.000 0.858 265 P CB 0.232 31.628 31.700 -0.506 0.000 0.789 266 D N -1.312 119.030 120.400 -0.097 0.000 2.224 266 D HA -0.152 4.539 4.640 0.086 0.000 0.205 266 D C 1.160 177.599 176.300 0.233 0.000 0.965 266 D CA 0.938 55.036 54.000 0.164 0.000 0.852 266 D CB -0.910 40.078 40.800 0.313 0.000 0.947 266 D HN 0.130 nan 8.370 nan 0.000 0.494 267 D N 1.191 121.693 120.400 0.168 0.000 2.097 267 D HA -0.067 4.625 4.640 0.086 0.000 0.195 267 D C 2.416 178.840 176.300 0.207 0.000 0.989 267 D CA 0.529 54.692 54.000 0.272 0.000 0.827 267 D CB -0.165 40.732 40.800 0.162 0.000 0.966 267 D HN 0.337 nan 8.370 nan 0.000 0.456 268 I N 0.629 121.134 120.570 -0.108 0.000 2.179 268 I HA -0.239 3.982 4.170 0.086 0.000 0.242 268 I C 2.469 178.483 176.117 -0.173 0.000 1.088 268 I CA 0.666 61.703 61.300 -0.438 0.000 1.357 268 I CB -0.242 37.260 38.000 -0.830 0.000 1.051 268 I HN -0.111 nan 8.210 nan 0.000 0.409 269 V N 1.127 120.966 119.914 -0.125 0.000 2.287 269 V HA -0.247 3.925 4.120 0.086 0.000 0.248 269 V C 2.615 178.778 176.094 0.115 0.000 1.053 269 V CA 2.285 64.599 62.300 0.022 0.000 1.027 269 V CB -1.507 30.247 31.823 -0.114 0.000 0.646 269 V HN 0.590 nan 8.190 nan 0.000 0.447 270 G N -0.577 108.253 108.800 0.049 0.000 2.422 270 G HA2 -0.194 3.818 3.960 0.086 0.000 0.218 270 G HA3 -0.194 3.818 3.960 0.086 0.000 0.218 270 G C 1.719 176.391 174.900 -0.381 0.000 1.146 270 G CA 1.049 45.951 45.100 -0.330 0.000 0.769 270 G HN 0.626 nan 8.290 nan 0.000 0.547 271 A N -0.036 122.781 122.820 -0.005 0.000 1.968 271 A HA 0.197 4.569 4.320 0.086 0.000 0.217 271 A C 2.555 180.264 177.584 0.209 0.000 1.169 271 A CA 1.490 53.614 52.037 0.146 0.000 0.638 271 A CB -0.407 18.868 19.000 0.458 0.000 0.812 271 A HN 0.227 nan 8.150 nan 0.000 0.446 272 V N 0.278 120.373 119.914 0.302 0.000 2.343 272 V HA -0.257 3.915 4.120 0.086 0.000 0.247 272 V C 2.283 178.495 176.094 0.197 0.000 1.051 272 V CA 2.160 64.604 62.300 0.240 0.000 1.036 272 V CB -0.806 31.107 31.823 0.150 0.000 0.654 272 V HN 0.629 nan 8.190 nan 0.000 0.451 273 E N -0.047 120.331 120.200 0.297 0.000 2.267 273 E HA -0.195 4.207 4.350 0.086 0.000 0.197 273 E C 1.785 178.442 176.600 0.096 0.000 0.998 273 E CA 0.858 57.424 56.400 0.277 0.000 0.830 273 E CB -0.075 29.688 29.700 0.104 0.000 0.751 273 E HN 0.580 nan 8.360 nan 0.000 0.491 274 R N -0.785 119.731 120.500 0.027 0.000 2.507 274 R HA 0.185 4.577 4.340 0.086 0.000 0.298 274 R C 0.623 176.943 176.300 0.034 0.000 0.999 274 R CA 0.415 56.511 56.100 -0.007 0.000 1.082 274 R CB 1.053 31.300 30.300 -0.088 0.000 1.246 274 R HN 0.139 nan 8.270 nan 0.000 0.553 275 G N 1.217 110.066 108.800 0.082 0.000 2.130 275 G HA2 -0.190 3.822 3.960 0.086 0.000 0.216 275 G HA3 -0.190 3.822 3.960 0.086 0.000 0.216 275 G C 0.028 175.034 174.900 0.177 0.000 0.999 275 G CA -0.565 44.614 45.100 0.132 0.000 0.686 275 G HN 0.148 nan 8.290 nan 0.000 0.515 276 I N 1.106 121.741 120.570 0.109 0.000 2.428 276 I HA 0.318 4.539 4.170 0.086 0.000 0.289 276 I C 0.472 176.584 176.117 -0.008 0.000 1.019 276 I CA -0.281 61.030 61.300 0.019 0.000 1.351 276 I CB 1.285 39.202 38.000 -0.138 0.000 1.412 276 I HN 0.049 nan 8.210 nan 0.000 0.513 277 D N 4.864 125.224 120.400 -0.068 0.000 2.423 277 D HA 0.211 4.903 4.640 0.086 0.000 0.208 277 D C 0.283 176.541 176.300 -0.069 0.000 1.068 277 D CA 0.717 54.697 54.000 -0.033 0.000 0.860 277 D CB 1.134 41.897 40.800 -0.062 0.000 0.992 277 D HN 0.401 nan 8.370 nan 0.000 0.504 278 M N 0.108 119.561 119.600 -0.245 0.000 2.484 278 M HA 0.435 4.967 4.480 0.086 0.000 0.289 278 M C -1.570 174.530 176.300 -0.332 0.000 1.206 278 M CA -0.571 54.620 55.300 -0.181 0.000 0.892 278 M CB 3.055 35.537 32.600 -0.197 0.000 1.712 278 M HN -0.306 nan 8.290 nan 0.000 0.462 279 F N 0.311 120.321 119.950 0.100 0.000 2.613 279 F HA 0.577 5.156 4.527 0.086 0.000 0.310 279 F C -0.625 175.146 175.800 -0.048 0.000 1.085 279 F CA -0.773 57.349 58.000 0.204 0.000 0.945 279 F CB 1.866 41.074 39.000 0.347 0.000 1.298 279 F HN 0.547 nan 8.300 nan 0.000 0.455 280 D N 0.404 120.952 120.400 0.246 0.000 2.581 280 D HA 0.614 5.306 4.640 0.086 0.000 0.232 280 D C -1.609 174.775 176.300 0.140 0.000 1.143 280 D CA -0.469 53.477 54.000 -0.088 0.000 0.881 280 D CB 2.344 43.112 40.800 -0.053 0.000 1.500 280 D HN 0.737 nan 8.370 nan 0.000 0.458 281 C N 1.148 120.508 119.300 0.100 0.000 3.268 281 C HA 0.253 4.765 4.460 0.086 0.000 0.374 281 C C 0.844 175.903 174.990 0.116 0.000 1.126 281 C CA -0.194 58.932 59.018 0.179 0.000 1.162 281 C CB 0.794 28.723 27.740 0.315 0.000 1.503 281 C HN 0.621 nan 8.230 nan 0.000 0.538 282 V N 3.146 123.094 119.914 0.057 0.000 3.461 282 V HA 0.103 4.275 4.120 0.086 0.000 0.267 282 V C 1.707 177.818 176.094 0.030 0.000 1.186 282 V CA 1.267 63.581 62.300 0.025 0.000 1.154 282 V CB -0.679 31.154 31.823 0.017 0.000 0.802 282 V HN 0.852 nan 8.190 nan 0.000 0.474 283 L N 2.349 123.601 121.223 0.048 0.000 1.978 283 L HA -0.031 4.361 4.340 0.086 0.000 0.218 283 L C 0.279 177.186 176.870 0.063 0.000 1.075 283 L CA 2.885 57.776 54.840 0.086 0.000 0.767 283 L CB -1.984 40.145 42.059 0.116 0.000 0.890 283 L HN 0.305 nan 8.230 nan 0.000 0.434 284 P HA -0.121 nan 4.420 nan 0.000 0.217 284 P C 1.483 178.777 177.300 -0.009 0.000 1.150 284 P CA 2.358 65.356 63.100 -0.171 0.000 0.832 284 P CB -0.358 30.916 31.700 -0.710 0.000 0.787 285 T N -2.166 112.367 114.554 -0.034 0.000 2.684 285 T HA -0.037 4.365 4.350 0.086 0.000 0.253 285 T C 2.319 177.022 174.700 0.005 0.000 1.057 285 T CA 1.569 63.662 62.100 -0.012 0.000 1.162 285 T CB -1.492 67.360 68.868 -0.026 0.000 0.868 285 T HN 0.032 nan 8.240 nan 0.000 0.409 286 R N 1.988 122.495 120.500 0.011 0.000 2.112 286 R HA -0.113 4.279 4.340 0.086 0.000 0.242 286 R C 2.866 179.179 176.300 0.022 0.000 1.137 286 R CA 2.824 58.934 56.100 0.017 0.000 0.944 286 R CB -1.962 28.356 30.300 0.030 0.000 0.857 286 R HN 0.811 nan 8.270 nan 0.000 0.435 287 S N -0.684 115.049 115.700 0.054 0.000 2.481 287 S HA 0.105 4.627 4.470 0.086 0.000 0.231 287 S C 2.341 176.933 174.600 -0.012 0.000 0.996 287 S CA 1.038 59.256 58.200 0.030 0.000 0.942 287 S CB -0.447 62.796 63.200 0.072 0.000 0.768 287 S HN 0.801 nan 8.310 nan 0.000 0.520 288 G N 2.441 111.251 108.800 0.016 0.000 2.433 288 G HA2 -0.163 3.849 3.960 0.086 0.000 0.216 288 G HA3 -0.163 3.849 3.960 0.086 0.000 0.216 288 G C 1.707 176.585 174.900 -0.037 0.000 1.186 288 G CA 0.485 45.581 45.100 -0.006 0.000 0.779 288 G HN 0.582 nan 8.290 nan 0.000 0.543 289 R N 0.255 120.736 120.500 -0.031 0.000 2.159 289 R HA -0.034 4.357 4.340 0.086 0.000 0.237 289 R C 1.768 178.036 176.300 -0.055 0.000 1.131 289 R CA 1.114 57.187 56.100 -0.046 0.000 0.982 289 R CB -0.269 30.009 30.300 -0.036 0.000 0.868 289 R HN 0.213 nan 8.270 nan 0.000 0.453 290 N N -0.417 118.255 118.700 -0.047 0.000 2.461 290 N HA 0.003 4.795 4.740 0.086 0.000 0.188 290 N C 0.913 176.381 175.510 -0.069 0.000 1.134 290 N CA 1.035 54.055 53.050 -0.050 0.000 0.878 290 N CB 0.867 39.334 38.487 -0.034 0.000 0.972 290 N HN 0.479 nan 8.380 nan 0.000 0.456 291 G N 0.142 108.891 108.800 -0.085 0.000 2.176 291 G HA2 -0.268 3.744 3.960 0.086 0.000 0.232 291 G HA3 -0.268 3.744 3.960 0.086 0.000 0.232 291 G C -0.017 174.805 174.900 -0.131 0.000 0.986 291 G CA -0.059 44.979 45.100 -0.104 0.000 0.643 291 G HN 0.468 nan 8.290 nan 0.000 0.522 292 Q N 0.562 120.271 119.800 -0.151 0.000 2.274 292 Q HA 0.685 5.076 4.340 0.086 0.000 0.256 292 Q C 0.041 175.849 176.000 -0.320 0.000 0.927 292 Q CA 0.172 55.822 55.803 -0.255 0.000 0.939 292 Q CB 0.991 29.546 28.738 -0.304 0.000 1.201 292 Q HN 0.889 nan 8.270 nan 0.000 0.426 293 A N 4.172 126.775 122.820 -0.361 0.000 2.342 293 A HA 0.639 5.011 4.320 0.086 0.000 0.323 293 A C -1.406 175.918 177.584 -0.432 0.000 1.125 293 A CA -0.614 51.264 52.037 -0.265 0.000 0.785 293 A CB 0.649 19.529 19.000 -0.200 0.000 1.221 293 A HN 0.734 nan 8.150 nan 0.000 0.463 294 F N 1.501 121.359 119.950 -0.153 0.000 2.394 294 F HA 0.566 5.142 4.527 0.083 0.000 0.340 294 F C 1.260 176.557 175.800 -0.838 0.000 1.105 294 F CA 0.475 58.173 58.000 -0.502 0.000 1.124 294 F CB 2.074 40.726 39.000 -0.580 0.000 1.145 294 F HN 0.680 nan 8.300 nan 0.000 0.505 295 T N -1.888 112.293 114.554 -0.622 0.000 2.865 295 T HA 0.267 4.669 4.350 0.086 0.000 0.294 295 T C 0.249 174.824 174.700 -0.208 0.000 1.119 295 T CA -0.857 60.960 62.100 -0.471 0.000 1.007 295 T CB 0.827 69.601 68.868 -0.158 0.000 1.225 295 T HN 0.596 nan 8.240 nan 0.000 0.515 296 W N 0.155 121.642 121.300 0.311 0.000 2.465 296 W HA 0.124 4.836 4.660 0.086 0.000 0.268 296 W C 1.222 177.820 176.519 0.131 0.000 1.242 296 W CA 0.172 57.754 57.345 0.395 0.000 1.248 296 W CB 0.141 29.792 29.460 0.319 0.000 1.118 296 W HN 0.635 nan 8.180 nan 0.000 0.587 297 D N -0.330 120.179 120.400 0.180 0.000 2.358 297 D HA 0.267 4.959 4.640 0.086 0.000 0.224 297 D C 1.022 177.179 176.300 -0.238 0.000 1.123 297 D CA 0.935 54.928 54.000 -0.011 0.000 0.833 297 D CB 0.075 40.891 40.800 0.026 0.000 0.946 297 D HN 0.106 nan 8.370 nan 0.000 0.505 298 G N 2.144 110.647 108.800 -0.495 0.000 2.603 298 G HA2 -0.153 3.859 3.960 0.086 0.000 0.686 298 G HA3 -0.153 3.859 3.960 0.086 0.000 0.686 298 G C -2.981 171.605 174.900 -0.523 0.000 1.286 298 G CA -1.128 43.390 45.100 -0.969 0.000 0.871 298 G HN -0.105 nan 8.290 nan 0.000 0.568 299 P HA 0.580 nan 4.420 nan 0.000 0.274 299 P C -0.013 177.130 177.300 -0.261 0.000 1.231 299 P CA -0.110 62.775 63.100 -0.359 0.000 0.790 299 P CB 0.932 32.419 31.700 -0.355 0.000 0.951 300 I N -1.643 118.770 120.570 -0.263 0.000 2.730 300 I HA 0.536 4.758 4.170 0.086 0.000 0.298 300 I C -0.631 175.399 176.117 -0.144 0.000 1.089 300 I CA -1.079 60.140 61.300 -0.134 0.000 1.041 300 I CB 2.451 40.367 38.000 -0.140 0.000 1.235 300 I HN 0.098 nan 8.210 nan 0.000 0.423 301 N N 3.769 122.470 118.700 0.000 0.000 2.457 301 N HA 0.244 5.036 4.740 0.086 0.000 0.250 301 N C 0.407 175.964 175.510 0.078 0.000 0.982 301 N CA -0.370 52.672 53.050 -0.015 0.000 0.941 301 N CB 1.716 40.209 38.487 0.010 0.000 1.120 301 N HN 0.846 nan 8.380 nan 0.000 0.505 302 I N 4.417 124.931 120.570 -0.092 0.000 2.700 302 I HA -0.111 4.111 4.170 0.086 0.000 0.261 302 I C 2.008 178.245 176.117 0.200 0.000 1.219 302 I CA 1.017 62.252 61.300 -0.108 0.000 1.463 302 I CB 0.012 37.893 38.000 -0.199 0.000 1.092 302 I HN 0.496 nan 8.210 nan 0.000 0.452 303 R N 0.245 120.807 120.500 0.103 0.000 2.237 303 R HA -0.070 4.322 4.340 0.086 0.000 0.219 303 R C 0.991 177.436 176.300 0.242 0.000 1.080 303 R CA 0.080 56.212 56.100 0.054 0.000 0.995 303 R CB -0.621 29.659 30.300 -0.032 0.000 0.875 303 R HN 0.384 nan 8.270 nan 0.000 0.462 304 N N 1.094 119.993 118.700 0.332 0.000 2.458 304 N HA -0.066 4.726 4.740 0.086 0.000 0.258 304 N C 0.720 176.356 175.510 0.211 0.000 1.219 304 N CA 0.338 53.515 53.050 0.212 0.000 0.902 304 N CB 1.174 39.730 38.487 0.115 0.000 1.076 304 N HN 0.099 nan 8.380 nan 0.000 0.455 305 A N 4.900 127.787 122.820 0.111 0.000 2.076 305 A HA -0.205 4.167 4.320 0.086 0.000 0.220 305 A C 1.955 179.443 177.584 -0.160 0.000 1.160 305 A CA 1.406 53.475 52.037 0.053 0.000 0.653 305 A CB -0.360 18.656 19.000 0.027 0.000 0.801 305 A HN 0.912 nan 8.150 nan 0.000 0.455 306 R N -1.897 118.427 120.500 -0.294 0.000 2.241 306 R HA -0.061 4.330 4.340 0.086 0.000 0.224 306 R C 0.608 176.566 176.300 -0.570 0.000 1.101 306 R CA 1.484 57.304 56.100 -0.467 0.000 0.995 306 R CB -0.560 29.375 30.300 -0.609 0.000 0.870 306 R HN 0.411 nan 8.270 nan 0.000 0.463 307 F N 1.664 121.501 119.950 -0.189 0.000 2.727 307 F HA 0.176 4.757 4.527 0.090 0.000 0.302 307 F C 2.111 177.636 175.800 -0.458 0.000 1.097 307 F CA 0.038 57.901 58.000 -0.230 0.000 1.330 307 F CB 0.342 39.285 39.000 -0.094 0.000 1.084 307 F HN 0.090 nan 8.300 nan 0.000 0.578 308 S N 0.038 115.415 115.700 -0.540 0.000 2.400 308 S HA -0.202 4.320 4.470 0.086 0.000 0.232 308 S C 1.201 175.703 174.600 -0.164 0.000 1.025 308 S CA 1.546 59.416 58.200 -0.550 0.000 0.993 308 S CB -0.351 62.684 63.200 -0.276 0.000 0.808 308 S HN 0.561 nan 8.310 nan 0.000 0.478 309 E N 0.507 120.651 120.200 -0.093 0.000 2.812 309 E HA 0.208 4.610 4.350 0.086 0.000 0.211 309 E C -1.070 175.539 176.600 0.014 0.000 0.986 309 E CA -0.294 56.094 56.400 -0.020 0.000 1.119 309 E CB 0.367 30.053 29.700 -0.024 0.000 1.046 309 E HN 0.311 nan 8.360 nan 0.000 0.474 310 D N 1.331 121.757 120.400 0.043 0.000 2.338 310 D HA 0.073 4.765 4.640 0.086 0.000 0.255 310 D C 0.747 177.101 176.300 0.090 0.000 1.237 310 D CA 0.067 54.121 54.000 0.090 0.000 0.883 310 D CB 0.972 41.896 40.800 0.207 0.000 1.087 310 D HN 0.183 nan 8.370 nan 0.000 0.485 311 L N 3.137 124.401 121.223 0.068 0.000 2.558 311 L HA 0.069 4.461 4.340 0.086 0.000 0.225 311 L C 1.236 178.144 176.870 0.063 0.000 1.128 311 L CA 0.214 55.092 54.840 0.064 0.000 0.868 311 L CB 0.006 42.091 42.059 0.042 0.000 1.006 311 L HN 0.135 nan 8.230 nan 0.000 0.454 312 K N 1.415 121.853 120.400 0.064 0.000 2.319 312 K HA 0.133 4.505 4.320 0.086 0.000 0.265 312 K C -2.146 174.483 176.600 0.049 0.000 1.000 312 K CA -1.637 54.683 56.287 0.055 0.000 0.943 312 K CB 0.087 32.622 32.500 0.058 0.000 0.950 312 K HN -0.151 nan 8.250 nan 0.000 0.485 313 P HA -0.022 nan 4.420 nan 0.000 0.273 313 P C 0.721 178.000 177.300 -0.035 0.000 1.250 313 P CA -0.068 63.052 63.100 0.033 0.000 0.793 313 P CB 0.537 32.269 31.700 0.054 0.000 1.011 314 L N -1.030 120.119 121.223 -0.124 0.000 2.043 314 L HA -0.108 4.284 4.340 0.086 0.000 0.212 314 L C 1.391 178.130 176.870 -0.217 0.000 1.075 314 L CA 1.716 56.380 54.840 -0.295 0.000 0.752 314 L CB -0.382 41.300 42.059 -0.629 0.000 0.891 314 L HN 0.499 nan 8.230 nan 0.000 0.432 315 D N -1.525 118.820 120.400 -0.092 0.000 2.896 315 D HA 0.076 4.768 4.640 0.086 0.000 0.241 315 D C 0.745 177.124 176.300 0.131 0.000 1.188 315 D CA 0.216 54.257 54.000 0.069 0.000 0.879 315 D CB 1.931 42.856 40.800 0.208 0.000 1.553 315 D HN -0.025 nan 8.370 nan 0.000 0.515 316 S N 2.726 118.511 115.700 0.142 0.000 2.440 316 S HA -0.146 4.376 4.470 0.086 0.000 0.238 316 S C 1.046 175.733 174.600 0.146 0.000 1.010 316 S CA 1.074 59.350 58.200 0.127 0.000 0.972 316 S CB 0.038 63.306 63.200 0.113 0.000 0.774 316 S HN 0.621 nan 8.310 nan 0.000 0.501 317 E N -0.754 119.574 120.200 0.212 0.000 2.485 317 E HA 0.242 4.644 4.350 0.086 0.000 0.213 317 E C 0.204 176.824 176.600 0.034 0.000 0.923 317 E CA -0.333 56.159 56.400 0.153 0.000 1.054 317 E CB 0.830 30.628 29.700 0.164 0.000 1.077 317 E HN 0.498 nan 8.360 nan 0.000 0.509 318 C N 1.686 121.092 119.300 0.176 0.000 2.563 318 C HA -0.032 4.479 4.460 0.086 0.000 0.411 318 C C 1.163 176.144 174.990 -0.014 0.000 1.386 318 C CA 0.228 59.307 59.018 0.103 0.000 1.703 318 C CB -0.447 27.487 27.740 0.323 0.000 2.596 318 C HN 0.471 nan 8.230 nan 0.000 0.605 319 H N 3.375 122.582 119.070 0.229 0.000 2.524 319 H HA 0.166 4.771 4.556 0.083 0.000 0.280 319 H C 1.205 176.625 175.328 0.155 0.000 1.018 319 H CA -0.018 56.127 56.048 0.162 0.000 1.165 319 H CB -0.247 29.592 29.762 0.128 0.000 1.411 319 H HN 0.825 nan 8.280 nan 0.000 0.569 320 C N 0.124 119.574 119.300 0.250 0.000 2.656 320 C HA 0.569 5.080 4.460 0.086 0.000 0.391 320 C C 2.266 177.385 174.990 0.215 0.000 1.300 320 C CA 0.010 59.168 59.018 0.233 0.000 2.302 320 C CB 0.416 28.311 27.740 0.258 0.000 2.655 320 C HN 0.556 nan 8.230 nan 0.000 0.656 321 A N 2.832 125.776 122.820 0.206 0.000 1.917 321 A HA -0.085 4.286 4.320 0.086 0.000 0.219 321 A C 2.135 179.870 177.584 0.252 0.000 1.182 321 A CA 2.502 54.656 52.037 0.195 0.000 0.633 321 A CB -1.065 18.063 19.000 0.214 0.000 0.819 321 A HN 1.090 nan 8.150 nan 0.000 0.448 322 V N -1.126 119.003 119.914 0.357 0.000 2.295 322 V HA -0.310 3.861 4.120 0.086 0.000 0.246 322 V C 2.500 178.811 176.094 0.362 0.000 1.049 322 V CA 2.094 64.700 62.300 0.510 0.000 1.024 322 V CB -0.958 31.095 31.823 0.383 0.000 0.648 322 V HN 0.700 nan 8.190 nan 0.000 0.447 323 C N -0.131 119.315 119.300 0.243 0.000 2.500 323 C HA -0.014 4.498 4.460 0.086 0.000 0.273 323 C C 2.568 177.619 174.990 0.101 0.000 1.428 323 C CA 0.084 59.197 59.018 0.159 0.000 1.766 323 C CB -1.003 26.833 27.740 0.160 0.000 1.817 323 C HN 0.575 nan 8.230 nan 0.000 0.543 324 Q N 0.551 120.398 119.800 0.078 0.000 2.331 324 Q HA 0.057 4.449 4.340 0.086 0.000 0.203 324 Q C 1.947 177.873 176.000 -0.124 0.000 0.944 324 Q CA 0.943 56.747 55.803 0.002 0.000 0.892 324 Q CB -0.094 28.652 28.738 0.014 0.000 0.983 324 Q HN 0.629 nan 8.270 nan 0.000 0.482 325 K N -1.536 118.717 120.400 -0.245 0.000 2.344 325 K HA 0.117 4.489 4.320 0.086 0.000 0.200 325 K C 0.266 176.470 176.600 -0.659 0.000 1.132 325 K CA 0.313 56.189 56.287 -0.685 0.000 0.935 325 K CB 1.007 32.591 32.500 -1.526 0.000 1.089 325 K HN 0.082 nan 8.250 nan 0.000 0.496 326 W N 2.066 123.407 121.300 0.068 0.000 2.706 326 W HA 0.293 4.977 4.660 0.041 0.000 0.346 326 W C 0.364 176.934 176.519 0.085 0.000 1.071 326 W CA -0.768 56.636 57.345 0.098 0.000 1.206 326 W CB 1.345 30.937 29.460 0.219 0.000 1.413 326 W HN -0.089 nan 8.180 nan 0.000 0.542 327 S N 0.637 116.541 115.700 0.340 0.000 2.687 327 S HA 0.426 4.948 4.470 0.086 0.000 0.283 327 S C 0.953 175.669 174.600 0.194 0.000 1.170 327 S CA -0.640 57.682 58.200 0.204 0.000 1.008 327 S CB 2.079 65.373 63.200 0.157 0.000 1.026 327 S HN 0.478 nan 8.310 nan 0.000 0.541 328 R N 0.602 121.156 120.500 0.091 0.000 2.091 328 R HA -0.111 4.281 4.340 0.086 0.000 0.238 328 R C 2.508 178.882 176.300 0.123 0.000 1.136 328 R CA 1.572 57.684 56.100 0.020 0.000 0.959 328 R CB -1.028 29.232 30.300 -0.067 0.000 0.856 328 R HN 0.819 nan 8.270 nan 0.000 0.437 329 A N 0.238 123.158 122.820 0.167 0.000 1.933 329 A HA -0.216 4.155 4.320 0.086 0.000 0.218 329 A C 1.963 179.727 177.584 0.300 0.000 1.175 329 A CA 1.205 53.356 52.037 0.190 0.000 0.628 329 A CB -0.652 18.428 19.000 0.134 0.000 0.814 329 A HN 0.437 nan 8.150 nan 0.000 0.444 330 Y N 0.555 120.960 120.300 0.174 0.000 2.163 330 Y HA -0.133 4.463 4.550 0.077 0.000 0.288 330 Y C 1.955 177.952 175.900 0.162 0.000 1.136 330 Y CA 1.546 59.764 58.100 0.196 0.000 1.147 330 Y CB -0.302 38.289 38.460 0.219 0.000 0.987 330 Y HN 0.273 nan 8.280 nan 0.000 0.509 331 I N -0.761 119.818 120.570 0.015 0.000 2.353 331 I HA -0.273 3.948 4.170 0.086 0.000 0.248 331 I C 2.393 178.450 176.117 -0.099 0.000 1.119 331 I CA 1.545 62.747 61.300 -0.164 0.000 1.417 331 I CB -0.632 37.314 38.000 -0.090 0.000 1.078 331 I HN 0.276 nan 8.210 nan 0.000 0.421 332 H N 0.761 119.796 119.070 -0.058 0.000 2.289 332 H HA -0.333 4.274 4.556 0.085 0.000 0.296 332 H C 2.397 177.716 175.328 -0.015 0.000 1.091 332 H CA 2.626 58.670 56.048 -0.007 0.000 1.274 332 H CB -0.235 29.584 29.762 0.095 0.000 1.364 332 H HN 0.444 nan 8.280 nan 0.000 0.490 333 H N -0.192 118.875 119.070 -0.004 0.000 2.321 333 H HA -0.082 4.525 4.556 0.085 0.000 0.300 333 H C 2.291 177.500 175.328 -0.200 0.000 1.087 333 H CA 2.057 58.055 56.048 -0.083 0.000 1.319 333 H CB -0.505 29.277 29.762 0.033 0.000 1.379 333 H HN 0.414 nan 8.280 nan 0.000 0.501 334 L N -0.055 120.811 121.223 -0.596 0.000 2.012 334 L HA -0.188 4.204 4.340 0.086 0.000 0.210 334 L C 2.411 179.029 176.870 -0.421 0.000 1.073 334 L CA 1.039 55.506 54.840 -0.622 0.000 0.748 334 L CB -0.431 41.286 42.059 -0.570 0.000 0.891 334 L HN 0.385 nan 8.230 nan 0.000 0.431 335 I N -0.181 120.192 120.570 -0.329 0.000 2.315 335 I HA -0.223 3.998 4.170 0.086 0.000 0.248 335 I C 2.649 178.619 176.117 -0.244 0.000 1.117 335 I CA 1.481 62.632 61.300 -0.248 0.000 1.404 335 I CB -0.974 36.905 38.000 -0.201 0.000 1.071 335 I HN 0.292 nan 8.210 nan 0.000 0.419 336 R N 0.720 121.044 120.500 -0.294 0.000 2.148 336 R HA -0.014 4.378 4.340 0.086 0.000 0.227 336 R C 2.021 178.202 176.300 -0.198 0.000 1.103 336 R CA 1.195 57.150 56.100 -0.243 0.000 0.983 336 R CB -0.228 29.899 30.300 -0.289 0.000 0.874 336 R HN 0.294 nan 8.270 nan 0.000 0.451 337 A N 0.282 122.943 122.820 -0.266 0.000 2.238 337 A HA 0.204 4.576 4.320 0.086 0.000 0.208 337 A C 1.331 178.806 177.584 -0.180 0.000 1.177 337 A CA 0.619 52.521 52.037 -0.224 0.000 0.804 337 A CB -0.199 18.594 19.000 -0.344 0.000 0.823 337 A HN 0.417 nan 8.150 nan 0.000 0.482 338 G N -0.316 108.377 108.800 -0.177 0.000 2.198 338 G HA2 -0.225 3.787 3.960 0.086 0.000 0.260 338 G HA3 -0.225 3.787 3.960 0.086 0.000 0.260 338 G C -0.187 174.630 174.900 -0.139 0.000 1.025 338 G CA 0.324 45.343 45.100 -0.136 0.000 0.769 338 G HN 0.490 nan 8.290 nan 0.000 0.507 339 E N -0.623 119.465 120.200 -0.186 0.000 2.316 339 E HA 0.347 4.749 4.350 0.086 0.000 0.275 339 E C 1.788 178.296 176.600 -0.155 0.000 1.029 339 E CA -0.579 55.718 56.400 -0.172 0.000 0.871 339 E CB 0.763 30.326 29.700 -0.227 0.000 1.022 339 E HN 0.308 nan 8.360 nan 0.000 0.418 340 I N 2.528 123.029 120.570 -0.114 0.000 2.286 340 I HA -0.298 3.923 4.170 0.086 0.000 0.248 340 I C 2.207 178.253 176.117 -0.118 0.000 1.115 340 I CA 0.646 61.887 61.300 -0.098 0.000 1.392 340 I CB -0.148 37.811 38.000 -0.068 0.000 1.065 340 I HN 0.420 nan 8.210 nan 0.000 0.418 341 L N 1.134 122.276 121.223 -0.136 0.000 2.127 341 L HA -0.140 4.251 4.340 0.086 0.000 0.211 341 L C 2.267 178.998 176.870 -0.232 0.000 1.089 341 L CA 2.137 56.873 54.840 -0.173 0.000 0.757 341 L CB -1.204 40.750 42.059 -0.176 0.000 0.899 341 L HN 0.210 nan 8.230 nan 0.000 0.434 342 G N -1.147 107.506 108.800 -0.246 0.000 2.421 342 G HA2 -0.257 3.755 3.960 0.086 0.000 0.216 342 G HA3 -0.257 3.755 3.960 0.086 0.000 0.216 342 G C 1.612 176.405 174.900 -0.177 0.000 1.171 342 G CA 0.824 45.771 45.100 -0.255 0.000 0.775 342 G HN 0.628 nan 8.290 nan 0.000 0.543 343 A N 0.518 123.254 122.820 -0.139 0.000 1.902 343 A HA 0.012 4.383 4.320 0.086 0.000 0.217 343 A C 2.480 180.017 177.584 -0.078 0.000 1.181 343 A CA 1.895 53.874 52.037 -0.096 0.000 0.623 343 A CB -0.380 18.572 19.000 -0.079 0.000 0.818 343 A HN 0.391 nan 8.150 nan 0.000 0.443 344 M N -0.555 118.992 119.600 -0.089 0.000 2.065 344 M HA -0.160 4.372 4.480 0.086 0.000 0.259 344 M C 2.151 178.413 176.300 -0.063 0.000 1.069 344 M CA 1.697 56.955 55.300 -0.070 0.000 1.110 344 M CB -0.573 31.976 32.600 -0.085 0.000 1.328 344 M HN 0.381 nan 8.290 nan 0.000 0.405 345 L N -0.757 120.391 121.223 -0.124 0.000 2.046 345 L HA -0.215 4.177 4.340 0.086 0.000 0.208 345 L C 2.696 179.564 176.870 -0.002 0.000 1.077 345 L CA 0.874 55.655 54.840 -0.098 0.000 0.747 345 L CB -0.650 41.265 42.059 -0.240 0.000 0.896 345 L HN 0.404 nan 8.230 nan 0.000 0.432 346 M N -0.743 118.837 119.600 -0.032 0.000 2.159 346 M HA -0.150 4.382 4.480 0.086 0.000 0.263 346 M C 2.278 178.621 176.300 0.072 0.000 1.063 346 M CA 1.752 57.062 55.300 0.017 0.000 1.110 346 M CB -1.218 31.357 32.600 -0.041 0.000 1.374 346 M HN 0.249 nan 8.290 nan 0.000 0.411 347 T N -0.204 114.370 114.554 0.034 0.000 2.812 347 T HA -0.132 4.270 4.350 0.086 0.000 0.264 347 T C 1.742 176.477 174.700 0.057 0.000 1.042 347 T CA 1.372 63.492 62.100 0.034 0.000 1.140 347 T CB -0.078 68.793 68.868 0.005 0.000 0.870 347 T HN 0.479 nan 8.240 nan 0.000 0.445 348 E N 0.373 120.616 120.200 0.072 0.000 2.077 348 E HA -0.252 4.150 4.350 0.086 0.000 0.193 348 E C 2.069 178.752 176.600 0.139 0.000 0.989 348 E CA 1.344 57.805 56.400 0.102 0.000 0.800 348 E CB -0.150 29.619 29.700 0.113 0.000 0.746 348 E HN 0.663 nan 8.360 nan 0.000 0.452 349 H N 0.510 119.637 119.070 0.095 0.000 2.319 349 H HA -0.086 4.519 4.556 0.081 0.000 0.299 349 H C 1.846 177.268 175.328 0.156 0.000 1.092 349 H CA 2.349 58.469 56.048 0.120 0.000 1.302 349 H CB -0.123 29.689 29.762 0.083 0.000 1.373 349 H HN 0.132 nan 8.280 nan 0.000 0.497 350 N N 0.103 118.788 118.700 -0.024 0.000 2.188 350 N HA -0.093 4.699 4.740 0.086 0.000 0.184 350 N C 1.771 177.299 175.510 0.030 0.000 1.018 350 N CA 1.078 54.133 53.050 0.008 0.000 0.858 350 N CB -0.093 38.493 38.487 0.165 0.000 0.989 350 N HN 0.371 nan 8.380 nan 0.000 0.426 351 I N 0.904 121.477 120.570 0.006 0.000 2.394 351 I HA -0.082 4.140 4.170 0.086 0.000 0.251 351 I C 2.125 178.283 176.117 0.069 0.000 1.136 351 I CA 0.461 61.774 61.300 0.021 0.000 1.425 351 I CB -1.396 36.633 38.000 0.049 0.000 1.079 351 I HN -0.004 nan 8.210 nan 0.000 0.425 352 A N 0.559 123.410 122.820 0.052 0.000 1.898 352 A HA -0.240 4.132 4.320 0.086 0.000 0.216 352 A C 2.303 179.903 177.584 0.026 0.000 1.181 352 A CA 1.163 53.239 52.037 0.065 0.000 0.620 352 A CB -1.033 18.024 19.000 0.096 0.000 0.819 352 A HN 0.347 nan 8.150 nan 0.000 0.442 353 F N -0.653 119.175 119.950 -0.203 0.000 2.069 353 F HA -0.231 4.345 4.527 0.082 0.000 0.298 353 F C 2.166 177.834 175.800 -0.220 0.000 1.113 353 F CA 2.016 59.850 58.000 -0.277 0.000 1.214 353 F CB -0.506 38.231 39.000 -0.438 0.000 0.978 353 F HN 0.293 nan 8.300 nan 0.000 0.474 354 Y N 0.817 120.945 120.300 -0.288 0.000 2.165 354 Y HA -0.273 4.329 4.550 0.086 0.000 0.286 354 Y C 2.661 178.357 175.900 -0.340 0.000 1.155 354 Y CA 1.906 59.720 58.100 -0.477 0.000 1.164 354 Y CB -0.879 37.163 38.460 -0.696 0.000 0.978 354 Y HN 0.158 nan 8.280 nan 0.000 0.513 355 Q N -0.001 119.801 119.800 0.002 0.000 2.124 355 Q HA -0.217 4.175 4.340 0.086 0.000 0.202 355 Q C 2.181 178.164 176.000 -0.027 0.000 0.977 355 Q CA 1.443 57.268 55.803 0.038 0.000 0.850 355 Q CB -0.498 28.301 28.738 0.101 0.000 0.901 355 Q HN 0.624 nan 8.270 nan 0.000 0.429 356 Q N 0.104 119.866 119.800 -0.063 0.000 2.124 356 Q HA -0.143 4.249 4.340 0.086 0.000 0.202 356 Q C 2.098 178.073 176.000 -0.041 0.000 0.977 356 Q CA 0.891 56.694 55.803 0.000 0.000 0.850 356 Q CB -0.127 28.659 28.738 0.080 0.000 0.901 356 Q HN 0.206 nan 8.270 nan 0.000 0.429 357 L N -0.061 120.984 121.223 -0.297 0.000 2.046 357 L HA -0.179 4.212 4.340 0.086 0.000 0.208 357 L C 1.918 178.673 176.870 -0.193 0.000 1.077 357 L CA 1.684 56.367 54.840 -0.262 0.000 0.747 357 L CB -0.279 41.352 42.059 -0.713 0.000 0.896 357 L HN 0.206 nan 8.230 nan 0.000 0.432 358 M N -1.008 118.487 119.600 -0.176 0.000 2.175 358 M HA -0.133 4.398 4.480 0.086 0.000 0.264 358 M C 2.313 178.551 176.300 -0.104 0.000 1.063 358 M CA 1.463 56.697 55.300 -0.110 0.000 1.119 358 M CB -1.381 31.215 32.600 -0.007 0.000 1.377 358 M HN 0.391 nan 8.290 nan 0.000 0.415 359 Q N 1.033 120.788 119.800 -0.075 0.000 2.050 359 Q HA -0.098 4.294 4.340 0.086 0.000 0.202 359 Q C 1.929 177.839 176.000 -0.150 0.000 0.980 359 Q CA 1.791 57.551 55.803 -0.073 0.000 0.840 359 Q CB -0.092 28.635 28.738 -0.018 0.000 0.898 359 Q HN 0.430 nan 8.270 nan 0.000 0.424 360 K N -0.245 120.039 120.400 -0.193 0.000 2.103 360 K HA -0.123 4.248 4.320 0.086 0.000 0.207 360 K C 2.100 178.300 176.600 -0.667 0.000 1.048 360 K CA 1.495 57.537 56.287 -0.409 0.000 0.930 360 K CB -0.235 32.020 32.500 -0.408 0.000 0.716 360 K HN 0.297 nan 8.250 nan 0.000 0.444 361 I N 0.754 121.003 120.570 -0.534 0.000 2.179 361 I HA -0.285 3.937 4.170 0.086 0.000 0.242 361 I C 2.483 178.388 176.117 -0.354 0.000 1.088 361 I CA 1.226 62.266 61.300 -0.434 0.000 1.357 361 I CB -0.240 37.610 38.000 -0.250 0.000 1.051 361 I HN 0.136 nan 8.210 nan 0.000 0.409 362 R N 0.670 121.019 120.500 -0.251 0.000 2.080 362 R HA -0.189 4.203 4.340 0.086 0.000 0.236 362 R C 1.985 178.186 176.300 -0.165 0.000 1.137 362 R CA 1.868 57.859 56.100 -0.182 0.000 0.943 362 R CB -0.520 29.713 30.300 -0.112 0.000 0.846 362 R HN 0.371 nan 8.270 nan 0.000 0.431 363 D N 0.184 120.486 120.400 -0.164 0.000 2.117 363 D HA -0.129 4.563 4.640 0.086 0.000 0.197 363 D C 2.064 178.292 176.300 -0.121 0.000 0.987 363 D CA 1.904 55.826 54.000 -0.129 0.000 0.829 363 D CB -0.275 40.451 40.800 -0.122 0.000 0.961 363 D HN 0.237 nan 8.370 nan 0.000 0.460 364 S N 0.066 115.661 115.700 -0.175 0.000 2.402 364 S HA -0.076 4.446 4.470 0.086 0.000 0.229 364 S C 2.243 176.844 174.600 0.003 0.000 1.021 364 S CA 0.419 58.576 58.200 -0.071 0.000 0.974 364 S CB -0.502 62.646 63.200 -0.086 0.000 0.800 364 S HN 0.224 nan 8.310 nan 0.000 0.484 365 I N 1.732 122.251 120.570 -0.085 0.000 2.202 365 I HA -0.116 4.105 4.170 0.086 0.000 0.242 365 I C 2.979 179.066 176.117 -0.051 0.000 1.091 365 I CA 1.258 62.509 61.300 -0.081 0.000 1.368 365 I CB -0.547 37.308 38.000 -0.242 0.000 1.058 365 I HN 0.390 nan 8.210 nan 0.000 0.410 366 S N 0.415 116.072 115.700 -0.072 0.000 2.402 366 S HA -0.234 4.288 4.470 0.086 0.000 0.233 366 S C 1.777 176.358 174.600 -0.031 0.000 1.030 366 S CA 1.691 59.858 58.200 -0.054 0.000 1.003 366 S CB -0.265 62.899 63.200 -0.061 0.000 0.813 366 S HN 0.455 nan 8.310 nan 0.000 0.477 367 E N -0.561 119.626 120.200 -0.022 0.000 2.478 367 E HA 0.220 4.621 4.350 0.086 0.000 0.194 367 E C 1.040 177.650 176.600 0.015 0.000 1.045 367 E CA 0.272 56.668 56.400 -0.006 0.000 0.868 367 E CB 0.022 29.717 29.700 -0.009 0.000 0.885 367 E HN 0.601 nan 8.360 nan 0.000 0.505 368 G N 2.717 111.534 108.800 0.028 0.000 2.221 368 G HA2 -0.335 3.677 3.960 0.086 0.000 0.265 368 G HA3 -0.335 3.677 3.960 0.086 0.000 0.265 368 G C 0.420 175.366 174.900 0.075 0.000 1.041 368 G CA 0.659 45.789 45.100 0.051 0.000 0.807 368 G HN 0.406 nan 8.290 nan 0.000 0.502 369 R N -1.657 118.904 120.500 0.102 0.000 2.637 369 R HA 0.472 4.863 4.340 0.086 0.000 0.446 369 R C 1.146 177.561 176.300 0.191 0.000 1.024 369 R CA -0.312 55.855 56.100 0.113 0.000 1.080 369 R CB -0.223 30.126 30.300 0.081 0.000 1.421 369 R HN 0.240 nan 8.270 nan 0.000 0.593 370 F N 2.044 122.029 119.950 0.058 0.000 2.206 370 F HA -0.070 4.508 4.527 0.086 0.000 0.298 370 F C 2.330 178.219 175.800 0.148 0.000 1.090 370 F CA 1.648 59.710 58.000 0.104 0.000 1.323 370 F CB 0.070 39.097 39.000 0.045 0.000 1.028 370 F HN 0.213 nan 8.300 nan 0.000 0.492 371 S N -0.286 115.373 115.700 -0.068 0.000 2.368 371 S HA -0.268 4.253 4.470 0.086 0.000 0.225 371 S C 2.100 176.629 174.600 -0.119 0.000 1.030 371 S CA 1.400 59.491 58.200 -0.182 0.000 0.999 371 S CB -0.695 62.473 63.200 -0.053 0.000 0.844 371 S HN 0.524 nan 8.310 nan 0.000 0.459 372 Q N 0.530 120.319 119.800 -0.019 0.000 2.061 372 Q HA -0.069 4.323 4.340 0.086 0.000 0.204 372 Q C 1.773 177.772 176.000 -0.002 0.000 0.984 372 Q CA 2.061 57.864 55.803 0.001 0.000 0.846 372 Q CB -0.962 27.800 28.738 0.039 0.000 0.902 372 Q HN 0.685 nan 8.270 nan 0.000 0.421 373 F N 0.223 120.121 119.950 -0.086 0.000 2.095 373 F HA -0.182 4.397 4.527 0.085 0.000 0.298 373 F C 1.927 177.671 175.800 -0.093 0.000 1.104 373 F CA 1.848 59.810 58.000 -0.064 0.000 1.232 373 F CB -0.762 38.241 39.000 0.006 0.000 0.987 373 F HN 0.133 nan 8.300 nan 0.000 0.475 374 A N -0.201 122.430 122.820 -0.314 0.000 1.940 374 A HA -0.262 4.109 4.320 0.086 0.000 0.219 374 A C 2.247 179.723 177.584 -0.180 0.000 1.176 374 A CA 1.849 53.677 52.037 -0.349 0.000 0.631 374 A CB -1.047 17.659 19.000 -0.490 0.000 0.814 374 A HN 0.641 nan 8.150 nan 0.000 0.446 375 Q N -0.502 119.206 119.800 -0.152 0.000 1.993 375 Q HA -0.221 4.171 4.340 0.086 0.000 0.202 375 Q C 1.456 177.402 176.000 -0.091 0.000 0.984 375 Q CA 1.833 57.589 55.803 -0.078 0.000 0.837 375 Q CB -0.155 28.550 28.738 -0.056 0.000 0.902 375 Q HN 0.612 nan 8.270 nan 0.000 0.423 376 D N -0.042 120.280 120.400 -0.131 0.000 2.123 376 D HA -0.174 4.518 4.640 0.086 0.000 0.196 376 D C 1.521 177.715 176.300 -0.178 0.000 0.992 376 D CA 0.878 54.798 54.000 -0.134 0.000 0.833 376 D CB -0.434 40.291 40.800 -0.126 0.000 0.954 376 D HN 0.253 nan 8.370 nan 0.000 0.455 377 F N 1.947 121.615 119.950 -0.470 0.000 2.095 377 F HA -0.173 4.406 4.527 0.085 0.000 0.298 377 F C 2.219 177.865 175.800 -0.258 0.000 1.104 377 F CA 1.559 59.293 58.000 -0.443 0.000 1.232 377 F CB -0.062 38.520 39.000 -0.698 0.000 0.987 377 F HN -0.191 nan 8.300 nan 0.000 0.475 378 R N 0.282 120.580 120.500 -0.337 0.000 2.075 378 R HA -0.095 4.297 4.340 0.086 0.000 0.232 378 R C 2.488 178.632 176.300 -0.259 0.000 1.126 378 R CA 1.076 56.904 56.100 -0.452 0.000 0.963 378 R CB -0.984 29.353 30.300 0.062 0.000 0.858 378 R HN 0.425 nan 8.270 nan 0.000 0.435 379 A N 1.543 124.304 122.820 -0.098 0.000 1.849 379 A HA -0.237 4.135 4.320 0.086 0.000 0.217 379 A C 2.185 179.743 177.584 -0.043 0.000 1.202 379 A CA 1.510 53.539 52.037 -0.013 0.000 0.629 379 A CB -0.567 18.421 19.000 -0.020 0.000 0.834 379 A HN 0.214 nan 8.150 nan 0.000 0.447 380 R N -2.383 118.055 120.500 -0.104 0.000 2.088 380 R HA -0.180 4.212 4.340 0.086 0.000 0.232 380 R C 2.199 178.426 176.300 -0.122 0.000 1.136 380 R CA 2.017 58.070 56.100 -0.078 0.000 0.926 380 R CB -0.663 29.613 30.300 -0.041 0.000 0.837 380 R HN 0.652 nan 8.270 nan 0.000 0.429 381 Y N -0.013 120.007 120.300 -0.467 0.000 2.193 381 Y HA -0.255 4.346 4.550 0.085 0.000 0.285 381 Y C 1.651 177.324 175.900 -0.379 0.000 1.166 381 Y CA 1.748 59.501 58.100 -0.578 0.000 1.181 381 Y CB -0.056 37.653 38.460 -1.252 0.000 0.976 381 Y HN 0.038 nan 8.280 nan 0.000 0.520 382 F N -0.798 119.120 119.950 -0.052 0.000 2.619 382 F HA 0.325 4.905 4.527 0.087 0.000 0.293 382 F C 1.830 177.590 175.800 -0.067 0.000 1.119 382 F CA -0.129 57.842 58.000 -0.049 0.000 1.445 382 F CB -1.380 37.620 39.000 0.001 0.000 1.119 382 F HN -0.021 nan 8.300 nan 0.000 0.573 383 A N 0.000 122.871 122.820 0.084 0.000 2.254 383 A HA 0.000 4.372 4.320 0.086 0.000 0.244 383 A CA 0.000 52.062 52.037 0.041 0.000 0.836 383 A CB 0.000 19.006 19.000 0.010 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486