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 1p0e_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSXXTKQSEE GVTFXXXXXX XXHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR 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 0.000 176.320 176.300 0.034 0.000 0.893 11 R CA 0.000 56.111 56.100 0.018 0.000 0.921 11 R CB 0.000 30.308 30.300 0.014 0.000 0.687 12 P HA 0.231 nan 4.420 nan 0.000 0.274 12 P C 0.427 177.785 177.300 0.098 0.000 1.256 12 P CA -0.527 62.612 63.100 0.066 0.000 0.795 12 P CB 1.375 33.112 31.700 0.061 0.000 1.038 13 R N -0.033 120.550 120.500 0.139 0.000 2.062 13 R HA 0.015 4.357 4.340 0.003 0.000 0.229 13 R C -0.261 176.226 176.300 0.311 0.000 1.128 13 R CA 0.932 57.150 56.100 0.196 0.000 0.960 13 R CB -0.049 30.372 30.300 0.201 0.000 0.855 13 R HN 0.521 nan 8.270 nan 0.000 0.432 14 F N 0.141 120.160 119.950 0.115 0.000 2.911 14 F HA 0.256 4.785 4.527 0.004 0.000 0.349 14 F C -1.674 174.211 175.800 0.141 0.000 1.222 14 F CA -0.539 57.544 58.000 0.138 0.000 1.164 14 F CB 1.702 40.800 39.000 0.164 0.000 1.454 14 F HN -0.117 nan 8.300 nan 0.000 0.616 15 S N 6.890 122.487 115.700 -0.172 0.000 2.733 15 S HA 0.591 5.063 4.470 0.003 0.000 0.294 15 S C -1.742 172.803 174.600 -0.092 0.000 1.149 15 S CA -0.376 57.798 58.200 -0.042 0.000 1.034 15 S CB 0.583 63.789 63.200 0.011 0.000 1.015 15 S HN 0.523 nan 8.310 nan 0.000 0.486 16 F N 4.452 124.297 119.950 -0.174 0.000 2.420 16 F HA 0.768 5.297 4.527 0.003 0.000 0.342 16 F C -0.389 175.385 175.800 -0.044 0.000 1.113 16 F CA -0.526 57.396 58.000 -0.129 0.000 1.059 16 F CB 1.593 40.570 39.000 -0.039 0.000 1.128 16 F HN 0.483 nan 8.300 nan 0.000 0.475 17 S N 6.622 122.016 115.700 -0.511 0.000 2.547 17 S HA 0.612 5.084 4.470 0.003 0.000 0.281 17 S C -0.761 173.454 174.600 -0.642 0.000 1.118 17 S CA -0.691 57.212 58.200 -0.494 0.000 0.947 17 S CB 1.535 64.603 63.200 -0.222 0.000 1.053 17 S HN 0.520 nan 8.310 nan 0.000 0.482 18 I N 2.248 122.489 120.570 -0.549 0.000 2.321 18 I HA 0.412 4.584 4.170 0.003 0.000 0.291 18 I C 0.920 176.909 176.117 -0.213 0.000 0.998 18 I CA -0.531 60.535 61.300 -0.389 0.000 1.227 18 I CB 1.531 39.335 38.000 -0.326 0.000 1.368 18 I HN 0.874 nan 8.210 nan 0.000 0.466 19 A N 5.212 127.939 122.820 -0.154 0.000 2.220 19 A HA 0.721 5.043 4.320 0.003 0.000 0.211 19 A C 0.772 178.305 177.584 -0.085 0.000 1.176 19 A CA 0.395 52.368 52.037 -0.106 0.000 0.834 19 A CB 0.266 19.213 19.000 -0.087 0.000 0.868 19 A HN 0.765 nan 8.150 nan 0.000 0.488 20 A N -0.757 122.010 122.820 -0.088 0.000 2.605 20 A HA 0.750 5.072 4.320 0.003 0.000 0.294 20 A C -0.718 176.823 177.584 -0.073 0.000 1.062 20 A CA -0.690 51.304 52.037 -0.071 0.000 0.682 20 A CB 1.049 20.010 19.000 -0.065 0.000 1.278 20 A HN 0.263 nan 8.150 nan 0.000 0.410 21 R N 0.034 120.503 120.500 -0.053 0.000 2.799 21 R HA 0.800 5.142 4.340 0.003 0.000 0.270 21 R C -1.368 174.925 176.300 -0.012 0.000 1.010 21 R CA -0.708 55.366 56.100 -0.044 0.000 0.916 21 R CB 2.400 32.678 30.300 -0.036 0.000 1.228 21 R HN 0.776 nan 8.270 nan 0.000 0.469 22 E N 0.644 120.851 120.200 0.012 0.000 2.651 22 E HA 0.262 4.614 4.350 0.003 0.000 0.360 22 E C -0.358 176.300 176.600 0.097 0.000 0.932 22 E CA 0.393 56.833 56.400 0.065 0.000 0.761 22 E CB 0.837 30.607 29.700 0.117 0.000 1.462 22 E HN 0.828 nan 8.360 nan 0.000 0.392 23 G N 4.416 113.257 108.800 0.069 0.000 2.514 23 G HA2 -0.364 3.598 3.960 0.003 0.000 0.265 23 G HA3 -0.364 3.598 3.960 0.003 0.000 0.265 23 G C 0.523 175.453 174.900 0.051 0.000 1.150 23 G CA 0.358 45.499 45.100 0.069 0.000 0.959 23 G HN 0.516 nan 8.290 nan 0.000 0.556 24 K N 1.264 121.699 120.400 0.059 0.000 2.361 24 K HA 0.520 4.842 4.320 0.003 0.000 0.196 24 K C 1.461 178.064 176.600 0.005 0.000 1.039 24 K CA 0.585 56.891 56.287 0.031 0.000 1.001 24 K CB 0.240 32.762 32.500 0.037 0.000 0.795 24 K HN 0.849 nan 8.250 nan 0.000 0.495 25 A N 2.070 124.906 122.820 0.026 0.000 2.498 25 A HA 0.227 4.548 4.320 0.003 0.000 0.239 25 A C -0.232 177.284 177.584 -0.114 0.000 1.068 25 A CA 0.171 52.159 52.037 -0.081 0.000 0.766 25 A CB 0.202 19.063 19.000 -0.232 0.000 1.003 25 A HN 0.180 nan 8.150 nan 0.000 0.497 26 R N -0.071 120.350 120.500 -0.131 0.000 2.836 26 R HA 0.822 5.164 4.340 0.003 0.000 0.269 26 R C -0.596 175.649 176.300 -0.092 0.000 1.010 26 R CA -0.454 55.591 56.100 -0.092 0.000 0.930 26 R CB 1.989 32.266 30.300 -0.039 0.000 1.218 26 R HN 0.689 nan 8.270 nan 0.000 0.473 27 T N -0.582 113.927 114.554 -0.074 0.000 2.956 27 T HA 0.800 5.152 4.350 0.003 0.000 0.312 27 T C -0.876 173.801 174.700 -0.039 0.000 1.151 27 T CA 0.082 62.148 62.100 -0.057 0.000 1.024 27 T CB 1.485 70.291 68.868 -0.103 0.000 1.140 27 T HN 0.811 nan 8.240 nan 0.000 0.473 28 G N 1.659 110.465 108.800 0.011 0.000 2.348 28 G HA2 0.572 4.534 3.960 0.003 0.000 0.296 28 G HA3 0.572 4.534 3.960 0.003 0.000 0.296 28 G C -0.797 174.140 174.900 0.062 0.000 1.258 28 G CA 0.085 45.177 45.100 -0.014 0.000 0.868 28 G HN 1.178 nan 8.290 nan 0.000 0.488 29 T N -1.903 112.683 114.554 0.054 0.000 2.906 29 T HA 0.765 5.117 4.350 0.003 0.000 0.295 29 T C -0.802 173.988 174.700 0.150 0.000 1.075 29 T CA -0.673 61.474 62.100 0.078 0.000 1.005 29 T CB 1.979 70.853 68.868 0.009 0.000 1.136 29 T HN 0.654 nan 8.240 nan 0.000 0.498 30 I N 1.717 122.332 120.570 0.075 0.000 2.411 30 I HA 0.329 4.501 4.170 0.003 0.000 0.284 30 I C -0.002 176.046 176.117 -0.114 0.000 1.012 30 I CA -0.677 60.589 61.300 -0.057 0.000 1.119 30 I CB 1.651 39.562 38.000 -0.148 0.000 1.261 30 I HN 0.657 nan 8.210 nan 0.000 0.448 31 E N 7.463 127.582 120.200 -0.135 0.000 2.227 31 E HA 0.609 4.961 4.350 0.003 0.000 0.282 31 E C -0.764 175.796 176.600 -0.067 0.000 1.015 31 E CA -0.383 55.973 56.400 -0.072 0.000 0.823 31 E CB 2.053 31.730 29.700 -0.039 0.000 1.081 31 E HN 0.485 nan 8.360 nan 0.000 0.396 32 M N 1.445 121.047 119.600 0.003 0.000 2.667 32 M HA 0.266 4.748 4.480 0.003 0.000 0.286 32 M C 0.869 177.205 176.300 0.060 0.000 1.270 32 M CA -0.789 54.555 55.300 0.073 0.000 0.826 32 M CB 1.962 34.640 32.600 0.130 0.000 1.743 32 M HN 0.251 nan 8.290 nan 0.000 0.460 33 K N 0.328 120.772 120.400 0.074 0.000 2.113 33 K HA -0.123 4.199 4.320 0.003 0.000 0.208 33 K C 1.404 178.012 176.600 0.013 0.000 1.047 33 K CA 1.606 57.917 56.287 0.040 0.000 0.928 33 K CB -0.006 32.518 32.500 0.040 0.000 0.716 33 K HN 0.467 nan 8.250 nan 0.000 0.446 34 R N -0.146 120.365 120.500 0.017 0.000 2.310 34 R HA 0.068 4.410 4.340 0.003 0.000 0.202 34 R C 0.526 176.824 176.300 -0.003 0.000 0.933 34 R CA 0.251 56.346 56.100 -0.009 0.000 1.054 34 R CB 0.714 31.009 30.300 -0.008 0.000 0.985 34 R HN 0.222 nan 8.270 nan 0.000 0.489 35 G N -0.656 108.152 108.800 0.014 0.000 2.352 35 G HA2 0.066 4.028 3.960 0.003 0.000 0.302 35 G HA3 0.066 4.028 3.960 0.003 0.000 0.302 35 G C -1.552 173.358 174.900 0.017 0.000 1.370 35 G CA -1.033 44.071 45.100 0.006 0.000 0.918 35 G HN -0.095 nan 8.290 nan 0.000 0.610 36 V N 0.451 120.370 119.914 0.009 0.000 2.481 36 V HA 0.635 4.757 4.120 0.003 0.000 0.286 36 V C 0.288 176.397 176.094 0.024 0.000 1.042 36 V CA -0.464 61.840 62.300 0.007 0.000 0.928 36 V CB 1.382 33.204 31.823 -0.001 0.000 0.986 36 V HN 0.596 nan 8.190 nan 0.000 0.462 37 I N 4.727 125.311 120.570 0.023 0.000 2.389 37 I HA 0.484 4.656 4.170 0.003 0.000 0.288 37 I C 0.149 176.291 176.117 0.042 0.000 0.999 37 I CA -0.519 60.804 61.300 0.038 0.000 1.129 37 I CB 1.471 39.490 38.000 0.032 0.000 1.288 37 I HN 0.497 nan 8.210 nan 0.000 0.444 38 R N 3.915 124.441 120.500 0.044 0.000 2.265 38 R HA 0.419 4.761 4.340 0.003 0.000 0.314 38 R C -0.060 176.275 176.300 0.058 0.000 1.053 38 R CA -0.379 55.746 56.100 0.042 0.000 0.931 38 R CB 1.037 31.351 30.300 0.023 0.000 1.024 38 R HN 0.663 nan 8.270 nan 0.000 0.457 39 T N 0.505 115.106 114.554 0.079 0.000 2.888 39 T HA 0.466 4.818 4.350 0.003 0.000 0.284 39 T C -2.564 172.170 174.700 0.056 0.000 1.017 39 T CA -2.886 59.273 62.100 0.098 0.000 1.022 39 T CB 2.030 70.997 68.868 0.165 0.000 1.013 39 T HN 0.182 nan 8.240 nan 0.000 0.465 40 P HA 0.399 nan 4.420 nan 0.000 0.265 40 P C -1.014 176.369 177.300 0.138 0.000 1.193 40 P CA -0.117 63.059 63.100 0.127 0.000 0.765 40 P CB 0.359 32.128 31.700 0.115 0.000 0.823 41 A N 3.361 126.306 122.820 0.208 0.000 2.374 41 A HA 0.708 5.030 4.320 0.003 0.000 0.317 41 A C -1.449 176.308 177.584 0.288 0.000 1.094 41 A CA -0.488 51.656 52.037 0.178 0.000 0.765 41 A CB 0.686 19.736 19.000 0.084 0.000 1.268 41 A HN 0.459 nan 8.150 nan 0.000 0.438 42 F N 2.035 122.042 119.950 0.095 0.000 2.458 42 F HA 0.703 5.232 4.527 0.004 0.000 0.336 42 F C -0.361 175.468 175.800 0.048 0.000 1.114 42 F CA -0.979 57.089 58.000 0.113 0.000 0.987 42 F CB 1.601 40.663 39.000 0.103 0.000 1.130 42 F HN 0.481 nan 8.300 nan 0.000 0.458 43 M N 8.050 127.100 119.600 -0.917 0.000 2.114 43 M HA 0.361 4.843 4.480 0.003 0.000 0.332 43 M C -2.563 173.246 176.300 -0.817 0.000 1.014 43 M CA -1.802 53.098 55.300 -0.667 0.000 0.956 43 M CB 1.427 33.747 32.600 -0.467 0.000 1.551 43 M HN 0.313 nan 8.290 nan 0.000 0.427 44 P HA 0.092 nan 4.420 nan 0.000 0.268 44 P C -0.668 176.453 177.300 -0.298 0.000 1.205 44 P CA -0.230 62.706 63.100 -0.272 0.000 0.771 44 P CB 0.642 32.244 31.700 -0.163 0.000 0.858 45 V N 3.642 123.426 119.914 -0.216 0.000 2.461 45 V HA 0.405 4.527 4.120 0.003 0.000 0.275 45 V C 1.257 177.244 176.094 -0.178 0.000 1.047 45 V CA 0.206 62.394 62.300 -0.186 0.000 0.955 45 V CB 0.899 32.648 31.823 -0.123 0.000 0.988 45 V HN 0.755 nan 8.190 nan 0.000 0.471 46 G N 2.928 111.610 108.800 -0.196 0.000 4.477 46 G HA2 0.364 4.325 3.960 0.003 0.000 0.319 46 G HA3 0.364 4.325 3.960 0.003 0.000 0.319 46 G C 0.325 175.138 174.900 -0.144 0.000 1.391 46 G CA -0.341 44.649 45.100 -0.183 0.000 1.261 46 G HN 0.728 nan 8.290 nan 0.000 0.556 47 T N -0.940 113.523 114.554 -0.152 0.000 2.799 47 T HA 0.438 4.790 4.350 0.003 0.000 0.296 47 T C 1.122 175.744 174.700 -0.130 0.000 0.947 47 T CA 0.409 62.392 62.100 -0.195 0.000 1.141 47 T CB 1.503 70.180 68.868 -0.318 0.000 0.891 47 T HN 1.672 nan 8.240 nan 0.000 0.533 48 A N 2.603 125.384 122.820 -0.065 0.000 3.335 48 A HA 0.258 4.580 4.320 0.003 0.000 0.228 48 A C 1.323 178.923 177.584 0.026 0.000 1.322 48 A CA 0.479 52.520 52.037 0.006 0.000 1.050 48 A CB -2.316 16.683 19.000 -0.002 0.000 1.126 48 A HN 2.744 nan 8.150 nan 0.000 0.793 49 A N -2.846 119.981 122.820 0.011 0.000 2.925 49 A HA 0.318 4.640 4.320 0.003 0.000 0.265 49 A C 1.251 178.802 177.584 -0.054 0.000 1.419 49 A CA 2.383 54.433 52.037 0.022 0.000 0.807 49 A CB -2.332 16.773 19.000 0.176 0.000 1.043 49 A HN 3.144 nan 8.150 nan 0.000 0.600 50 T N -1.388 113.118 114.554 -0.079 0.000 3.225 50 T HA 0.475 4.827 4.350 0.003 0.000 0.356 50 T C -0.725 173.914 174.700 -0.103 0.000 1.460 50 T CA 0.312 62.358 62.100 -0.089 0.000 1.126 50 T CB 1.239 70.062 68.868 -0.075 0.000 1.321 50 T HN 1.237 nan 8.240 nan 0.000 0.478 51 V N 6.277 126.123 119.914 -0.113 0.000 2.389 51 V HA 0.323 4.445 4.120 0.003 0.000 0.264 51 V C 0.811 176.862 176.094 -0.072 0.000 1.049 51 V CA -0.575 61.656 62.300 -0.115 0.000 0.932 51 V CB 0.494 32.236 31.823 -0.136 0.000 1.011 51 V HN 0.826 nan 8.190 nan 0.000 0.475 52 K N 4.562 124.923 120.400 -0.066 0.000 2.441 52 K HA 0.102 4.424 4.320 0.003 0.000 0.273 52 K C 1.117 177.696 176.600 -0.036 0.000 1.090 52 K CA 0.900 57.158 56.287 -0.049 0.000 1.158 52 K CB -0.080 32.393 32.500 -0.046 0.000 0.847 52 K HN 1.133 nan 8.250 nan 0.000 0.483 53 A N 2.446 125.245 122.820 -0.033 0.000 3.028 53 A HA -0.188 4.134 4.320 0.003 0.000 0.248 53 A C -0.243 177.332 177.584 -0.014 0.000 1.316 53 A CA 0.697 52.718 52.037 -0.027 0.000 1.003 53 A CB -2.045 16.937 19.000 -0.031 0.000 1.148 53 A HN 0.561 nan 8.150 nan 0.000 0.828 54 L N -0.925 120.292 121.223 -0.010 0.000 2.431 54 L HA 0.485 4.827 4.340 0.003 0.000 0.266 54 L C 0.331 177.215 176.870 0.022 0.000 0.978 54 L CA -0.883 53.965 54.840 0.013 0.000 0.822 54 L CB 1.941 44.013 42.059 0.022 0.000 1.310 54 L HN 0.237 nan 8.230 nan 0.000 0.409 55 K N 2.354 122.779 120.400 0.042 0.000 2.295 55 K HA 0.184 4.506 4.320 0.003 0.000 0.270 55 K C -1.659 175.003 176.600 0.103 0.000 1.011 55 K CA -1.463 54.857 56.287 0.054 0.000 0.953 55 K CB 1.129 33.661 32.500 0.054 0.000 0.956 55 K HN 0.223 nan 8.250 nan 0.000 0.477 56 P HA -0.275 nan 4.420 nan 0.000 0.216 56 P C 0.821 178.288 177.300 0.278 0.000 1.153 56 P CA 1.484 64.763 63.100 0.299 0.000 0.858 56 P CB 0.108 32.003 31.700 0.325 0.000 0.789 57 E N -1.197 119.091 120.200 0.147 0.000 2.118 57 E HA -0.169 4.183 4.350 0.003 0.000 0.195 57 E C 1.446 178.120 176.600 0.122 0.000 0.992 57 E CA 1.644 58.104 56.400 0.099 0.000 0.804 57 E CB -1.609 28.126 29.700 0.059 0.000 0.741 57 E HN 0.156 nan 8.360 nan 0.000 0.458 58 T N 1.097 115.725 114.554 0.123 0.000 2.821 58 T HA -0.071 4.281 4.350 0.003 0.000 0.267 58 T C 2.073 176.861 174.700 0.146 0.000 1.046 58 T CA 1.180 63.352 62.100 0.121 0.000 1.139 58 T CB -0.137 68.792 68.868 0.101 0.000 0.871 58 T HN 0.038 nan 8.240 nan 0.000 0.454 59 V N 1.733 121.756 119.914 0.183 0.000 2.295 59 V HA -0.153 3.969 4.120 0.003 0.000 0.246 59 V C 2.664 178.935 176.094 0.294 0.000 1.049 59 V CA 1.644 64.067 62.300 0.204 0.000 1.024 59 V CB -0.537 31.396 31.823 0.182 0.000 0.648 59 V HN 0.255 nan 8.190 nan 0.000 0.447 60 R N 1.321 122.044 120.500 0.372 0.000 2.081 60 R HA -0.081 4.261 4.340 0.003 0.000 0.235 60 R C 2.105 178.497 176.300 0.152 0.000 1.131 60 R CA 1.946 58.199 56.100 0.256 0.000 0.960 60 R CB -1.083 29.254 30.300 0.062 0.000 0.856 60 R HN 0.432 nan 8.270 nan 0.000 0.436 61 A N -0.425 122.472 122.820 0.129 0.000 2.019 61 A HA -0.150 4.172 4.320 0.003 0.000 0.219 61 A C 2.069 179.720 177.584 0.112 0.000 1.164 61 A CA 1.999 54.097 52.037 0.103 0.000 0.644 61 A CB -1.138 17.921 19.000 0.099 0.000 0.805 61 A HN 0.643 nan 8.150 nan 0.000 0.449 62 T N -4.472 110.160 114.554 0.129 0.000 3.072 62 T HA 0.335 4.687 4.350 0.003 0.000 0.266 62 T C 1.434 176.205 174.700 0.117 0.000 1.127 62 T CA 1.350 63.524 62.100 0.124 0.000 1.107 62 T CB -0.009 68.933 68.868 0.122 0.000 0.910 62 T HN 1.630 nan 8.240 nan 0.000 0.513 63 G N 0.741 109.616 108.800 0.124 0.000 2.211 63 G HA2 0.084 4.046 3.960 0.003 0.000 0.201 63 G HA3 0.084 4.046 3.960 0.003 0.000 0.201 63 G C 0.283 175.268 174.900 0.141 0.000 0.997 63 G CA -0.197 44.969 45.100 0.110 0.000 0.652 63 G HN 1.082 nan 8.290 nan 0.000 0.500 64 A N 0.516 123.451 122.820 0.192 0.000 2.511 64 A HA 0.510 4.832 4.320 0.003 0.000 0.242 64 A C 1.025 178.789 177.584 0.300 0.000 1.069 64 A CA 1.067 53.238 52.037 0.223 0.000 0.763 64 A CB 0.259 19.376 19.000 0.196 0.000 1.001 64 A HN 0.205 nan 8.150 nan 0.000 0.498 65 D N 0.647 121.186 120.400 0.231 0.000 2.392 65 D HA 0.203 4.845 4.640 0.003 0.000 0.206 65 D C 0.182 176.684 176.300 0.336 0.000 1.046 65 D CA 0.805 54.941 54.000 0.226 0.000 0.865 65 D CB 0.507 41.380 40.800 0.121 0.000 0.969 65 D HN 0.572 nan 8.370 nan 0.000 0.509 66 I N 0.757 121.489 120.570 0.270 0.000 2.775 66 I HA 0.284 4.456 4.170 0.003 0.000 0.295 66 I C -1.752 174.296 176.117 -0.115 0.000 1.287 66 I CA -0.975 60.434 61.300 0.181 0.000 1.029 66 I CB 2.314 40.349 38.000 0.057 0.000 1.282 66 I HN -0.232 nan 8.210 nan 0.000 0.426 67 I N 4.734 125.106 120.570 -0.330 0.000 2.740 67 I HA 0.560 4.732 4.170 0.003 0.000 0.303 67 I C -1.671 174.231 176.117 -0.359 0.000 1.044 67 I CA -0.919 60.079 61.300 -0.503 0.000 1.064 67 I CB 2.064 39.523 38.000 -0.902 0.000 1.249 67 I HN 0.626 nan 8.210 nan 0.000 0.433 68 L N 4.027 125.061 121.223 -0.315 0.000 2.289 68 L HA 0.811 5.153 4.340 0.003 0.000 0.285 68 L C 0.008 176.765 176.870 -0.190 0.000 1.049 68 L CA -0.124 54.582 54.840 -0.224 0.000 0.804 68 L CB 1.127 43.074 42.059 -0.188 0.000 1.195 68 L HN 0.930 nan 8.230 nan 0.000 0.428 69 G N 1.929 110.647 108.800 -0.138 0.000 2.416 69 G HA2 0.499 4.461 3.960 0.003 0.000 0.329 69 G HA3 0.499 4.461 3.960 0.003 0.000 0.329 69 G C -0.763 174.117 174.900 -0.034 0.000 1.173 69 G CA -0.249 44.791 45.100 -0.099 0.000 0.929 69 G HN 0.871 nan 8.290 nan 0.000 0.475 70 N N 0.353 119.050 118.700 -0.005 0.000 2.434 70 N HA 0.439 5.181 4.740 0.003 0.000 0.272 70 N C 1.087 176.667 175.510 0.116 0.000 1.040 70 N CA -0.015 53.080 53.050 0.075 0.000 0.956 70 N CB 1.087 39.636 38.487 0.102 0.000 1.108 70 N HN 0.436 nan 8.380 nan 0.000 0.481 71 T N 0.148 114.785 114.554 0.138 0.000 2.851 71 T HA -0.088 4.264 4.350 0.003 0.000 0.262 71 T C 1.619 176.411 174.700 0.154 0.000 1.043 71 T CA 1.292 63.470 62.100 0.130 0.000 1.140 71 T CB -0.459 68.494 68.868 0.142 0.000 0.872 71 T HN 0.674 nan 8.240 nan 0.000 0.446 72 Y N 2.227 122.575 120.300 0.079 0.000 2.049 72 Y HA -0.276 4.276 4.550 0.003 0.000 0.277 72 Y C 2.519 178.413 175.900 -0.011 0.000 1.143 72 Y CA 1.563 59.663 58.100 -0.001 0.000 1.115 72 Y CB -0.853 37.566 38.460 -0.068 0.000 0.975 72 Y HN 0.381 nan 8.280 nan 0.000 0.487 73 H N -0.226 118.756 119.070 -0.146 0.000 2.352 73 H HA -0.187 4.371 4.556 0.003 0.000 0.299 73 H C 2.420 177.652 175.328 -0.160 0.000 1.097 73 H CA 1.986 57.904 56.048 -0.217 0.000 1.311 73 H CB -0.389 29.352 29.762 -0.035 0.000 1.377 73 H HN 0.378 nan 8.280 nan 0.000 0.504 74 L N 0.840 122.092 121.223 0.049 0.000 2.141 74 L HA -0.168 4.174 4.340 0.003 0.000 0.209 74 L C 2.894 179.738 176.870 -0.043 0.000 1.094 74 L CA 0.782 55.627 54.840 0.009 0.000 0.763 74 L CB -0.321 41.752 42.059 0.023 0.000 0.908 74 L HN 0.333 nan 8.230 nan 0.000 0.437 75 M N -0.981 118.585 119.600 -0.058 0.000 2.159 75 M HA -0.184 4.298 4.480 0.003 0.000 0.263 75 M C 1.992 178.241 176.300 -0.084 0.000 1.063 75 M CA 1.900 57.168 55.300 -0.054 0.000 1.110 75 M CB -0.439 32.153 32.600 -0.014 0.000 1.374 75 M HN 0.100 nan 8.290 nan 0.000 0.411 76 L N -0.152 120.979 121.223 -0.154 0.000 2.007 76 L HA 0.071 4.413 4.340 0.003 0.000 0.205 76 L C 1.690 178.498 176.870 -0.103 0.000 1.073 76 L CA 0.957 55.702 54.840 -0.159 0.000 0.744 76 L CB -0.265 41.627 42.059 -0.278 0.000 0.898 76 L HN 0.363 nan 8.230 nan 0.000 0.435 77 R N 0.222 120.672 120.500 -0.085 0.000 2.538 77 R HA 0.235 4.577 4.340 0.003 0.000 0.292 77 R C -2.261 174.038 176.300 -0.001 0.000 1.008 77 R CA -1.376 54.704 56.100 -0.034 0.000 0.896 77 R CB 2.094 32.384 30.300 -0.017 0.000 1.187 77 R HN -0.202 nan 8.270 nan 0.000 0.440 78 P HA 0.176 nan 4.420 nan 0.000 0.255 78 P C -0.230 177.025 177.300 -0.076 0.000 1.248 78 P CA 0.389 63.471 63.100 -0.029 0.000 0.807 78 P CB 0.667 32.357 31.700 -0.018 0.000 1.150 79 G N -0.055 108.695 108.800 -0.082 0.000 3.069 79 G HA2 0.065 4.027 3.960 0.003 0.000 0.686 79 G HA3 0.065 4.027 3.960 0.003 0.000 0.686 79 G C 0.648 175.485 174.900 -0.104 0.000 1.161 79 G CA -0.454 44.597 45.100 -0.082 0.000 0.804 79 G HN 0.186 nan 8.290 nan 0.000 0.608 80 A N 1.585 124.361 122.820 -0.074 0.000 1.845 80 A HA 0.064 4.386 4.320 0.003 0.000 0.215 80 A C 2.150 179.682 177.584 -0.087 0.000 1.195 80 A CA 2.497 54.490 52.037 -0.073 0.000 0.616 80 A CB -0.501 18.477 19.000 -0.035 0.000 0.832 80 A HN 0.973 nan 8.150 nan 0.000 0.443 81 E N -0.602 119.559 120.200 -0.066 0.000 2.097 81 E HA -0.204 4.148 4.350 0.003 0.000 0.196 81 E C 2.142 178.689 176.600 -0.089 0.000 1.000 81 E CA 1.508 57.870 56.400 -0.063 0.000 0.804 81 E CB -0.276 29.398 29.700 -0.043 0.000 0.740 81 E HN 0.622 nan 8.360 nan 0.000 0.454 82 R N 0.314 120.749 120.500 -0.108 0.000 2.073 82 R HA -0.105 4.237 4.340 0.003 0.000 0.234 82 R C 2.249 178.417 176.300 -0.220 0.000 1.134 82 R CA 1.449 57.465 56.100 -0.139 0.000 0.952 82 R CB -0.339 29.878 30.300 -0.139 0.000 0.850 82 R HN 0.189 nan 8.270 nan 0.000 0.433 83 I N 0.749 121.144 120.570 -0.292 0.000 2.226 83 I HA -0.255 3.917 4.170 0.003 0.000 0.245 83 I C 2.542 178.522 176.117 -0.228 0.000 1.100 83 I CA 1.284 62.336 61.300 -0.412 0.000 1.374 83 I CB -0.377 37.386 38.000 -0.396 0.000 1.057 83 I HN 0.343 nan 8.210 nan 0.000 0.413 84 A N 0.519 123.247 122.820 -0.154 0.000 1.940 84 A HA -0.277 4.045 4.320 0.003 0.000 0.219 84 A C 2.375 179.908 177.584 -0.086 0.000 1.176 84 A CA 1.938 53.909 52.037 -0.111 0.000 0.631 84 A CB -0.519 18.418 19.000 -0.104 0.000 0.814 84 A HN 0.367 nan 8.150 nan 0.000 0.446 85 K N -0.886 119.461 120.400 -0.088 0.000 2.097 85 K HA -0.063 4.259 4.320 0.003 0.000 0.205 85 K C 1.308 177.879 176.600 -0.047 0.000 1.050 85 K CA 0.977 57.228 56.287 -0.060 0.000 0.938 85 K CB -0.148 32.318 32.500 -0.057 0.000 0.718 85 K HN 0.315 nan 8.250 nan 0.000 0.442 86 L N -0.345 120.834 121.223 -0.073 0.000 2.478 86 L HA 0.095 4.437 4.340 0.003 0.000 0.223 86 L C 1.519 178.401 176.870 0.019 0.000 1.140 86 L CA 1.718 56.545 54.840 -0.022 0.000 0.842 86 L CB -0.070 41.965 42.059 -0.040 0.000 0.953 86 L HN 0.581 nan 8.230 nan 0.000 0.452 87 G N -2.292 106.504 108.800 -0.007 0.000 2.273 87 G HA2 0.184 4.146 3.960 0.003 0.000 0.162 87 G HA3 0.184 4.146 3.960 0.003 0.000 0.162 87 G C 0.607 175.526 174.900 0.033 0.000 1.006 87 G CA -0.224 44.888 45.100 0.021 0.000 0.704 87 G HN 0.805 nan 8.290 nan 0.000 0.487 88 G N -1.339 107.468 108.800 0.011 0.000 2.587 88 G HA2 0.230 4.192 3.960 0.003 0.000 0.686 88 G HA3 0.230 4.192 3.960 0.003 0.000 0.686 88 G C 0.430 175.402 174.900 0.119 0.000 1.236 88 G CA -0.065 45.061 45.100 0.042 0.000 0.820 88 G HN 1.458 nan 8.290 nan 0.000 0.645 89 L N 0.607 121.900 121.223 0.117 0.000 2.079 89 L HA 0.005 4.347 4.340 0.003 0.000 0.210 89 L C 2.542 179.507 176.870 0.158 0.000 1.081 89 L CA 3.212 58.135 54.840 0.138 0.000 0.752 89 L CB -0.856 41.217 42.059 0.024 0.000 0.896 89 L HN 0.767 nan 8.230 nan 0.000 0.433 90 H N -1.749 117.416 119.070 0.158 0.000 2.319 90 H HA -0.135 4.423 4.556 0.003 0.000 0.299 90 H C 2.555 177.977 175.328 0.157 0.000 1.092 90 H CA 1.856 58.011 56.048 0.178 0.000 1.302 90 H CB -0.463 29.381 29.762 0.137 0.000 1.373 90 H HN 0.426 nan 8.280 nan 0.000 0.497 91 S N -0.553 115.306 115.700 0.265 0.000 2.371 91 S HA -0.154 4.318 4.470 0.003 0.000 0.224 91 S C 2.027 176.752 174.600 0.209 0.000 1.029 91 S CA 0.754 59.068 58.200 0.189 0.000 0.978 91 S CB -0.472 62.818 63.200 0.151 0.000 0.833 91 S HN 0.327 nan 8.310 nan 0.000 0.466 92 F N 3.353 123.338 119.950 0.058 0.000 2.043 92 F HA -0.118 4.411 4.527 0.003 0.000 0.297 92 F C 2.238 178.060 175.800 0.038 0.000 1.121 92 F CA 2.325 60.347 58.000 0.036 0.000 1.199 92 F CB -0.612 38.401 39.000 0.021 0.000 0.968 92 F HN 0.400 nan 8.300 nan 0.000 0.478 93 M N -1.418 118.192 119.600 0.018 0.000 2.541 93 M HA 0.358 4.840 4.480 0.003 0.000 0.252 93 M C 1.338 177.650 176.300 0.021 0.000 1.125 93 M CA 1.148 56.399 55.300 -0.082 0.000 1.091 93 M CB -0.016 32.569 32.600 -0.025 0.000 1.420 93 M HN 0.262 nan 8.290 nan 0.000 0.486 94 G N 1.397 110.253 108.800 0.092 0.000 2.171 94 G HA2 -0.234 3.728 3.960 0.003 0.000 0.238 94 G HA3 -0.234 3.728 3.960 0.003 0.000 0.238 94 G C -0.775 174.233 174.900 0.180 0.000 1.039 94 G CA 0.124 45.287 45.100 0.105 0.000 0.759 94 G HN 0.746 nan 8.290 nan 0.000 0.501 95 W N 1.941 123.257 121.300 0.025 0.000 2.362 95 W HA 0.514 5.175 4.660 0.003 0.000 0.316 95 W C 0.142 176.745 176.519 0.139 0.000 1.024 95 W CA -0.158 57.209 57.345 0.037 0.000 1.270 95 W CB 1.181 30.628 29.460 -0.022 0.000 1.273 95 W HN 0.287 nan 8.180 nan 0.000 0.424 96 D N 3.441 123.698 120.400 -0.238 0.000 2.340 96 D HA 0.077 4.719 4.640 0.003 0.000 0.217 96 D C 0.371 176.583 176.300 -0.146 0.000 1.081 96 D CA 0.149 54.102 54.000 -0.079 0.000 0.842 96 D CB 0.357 41.092 40.800 -0.108 0.000 0.934 96 D HN 0.191 nan 8.370 nan 0.000 0.511 97 R N 0.073 120.283 120.500 -0.483 0.000 2.602 97 R HA 0.501 4.843 4.340 0.003 0.000 0.237 97 R C -2.429 174.122 176.300 0.419 0.000 1.219 97 R CA -2.059 53.950 56.100 -0.150 0.000 1.121 97 R CB 0.072 30.143 30.300 -0.381 0.000 1.408 97 R HN -0.029 nan 8.270 nan 0.000 0.559 98 P HA 0.021 nan 4.420 nan 0.000 0.266 98 P C -0.814 176.753 177.300 0.446 0.000 1.195 98 P CA 0.719 64.056 63.100 0.395 0.000 0.768 98 P CB 0.435 32.270 31.700 0.226 0.000 0.838 99 I N 2.769 123.531 120.570 0.319 0.000 2.498 99 I HA 0.371 4.543 4.170 0.003 0.000 0.290 99 I C -0.282 175.841 176.117 0.011 0.000 1.032 99 I CA -0.940 60.392 61.300 0.053 0.000 1.073 99 I CB 1.889 39.817 38.000 -0.120 0.000 1.251 99 I HN 0.180 nan 8.210 nan 0.000 0.426 100 L N 6.408 127.577 121.223 -0.090 0.000 2.295 100 L HA 0.620 4.962 4.340 0.003 0.000 0.285 100 L C -0.186 176.628 176.870 -0.093 0.000 1.035 100 L CA -0.054 54.711 54.840 -0.126 0.000 0.806 100 L CB 1.568 43.482 42.059 -0.243 0.000 1.214 100 L HN 0.713 nan 8.230 nan 0.000 0.426 101 T N -0.056 114.469 114.554 -0.048 0.000 2.786 101 T HA 0.326 4.678 4.350 0.003 0.000 0.283 101 T C -0.269 174.439 174.700 0.014 0.000 0.992 101 T CA -0.869 61.225 62.100 -0.010 0.000 0.954 101 T CB 1.336 70.218 68.868 0.024 0.000 0.934 101 T HN 0.536 nan 8.240 nan 0.000 0.440 102 D N 1.639 122.056 120.400 0.028 0.000 2.362 102 D HA 0.085 4.726 4.640 0.003 0.000 0.238 102 D C 1.512 177.858 176.300 0.077 0.000 1.212 102 D CA 0.027 54.053 54.000 0.044 0.000 0.902 102 D CB 1.246 42.079 40.800 0.055 0.000 1.180 102 D HN 0.637 nan 8.370 nan 0.000 0.445 103 S N 0.821 116.566 115.700 0.074 0.000 2.470 103 S HA 0.154 4.626 4.470 0.003 0.000 0.225 103 S C 1.587 176.327 174.600 0.233 0.000 1.006 103 S CA 0.864 59.157 58.200 0.154 0.000 0.934 103 S CB 0.221 63.495 63.200 0.123 0.000 0.778 103 S HN 0.878 nan 8.310 nan 0.000 0.517 104 G N 0.372 109.260 108.800 0.146 0.000 2.254 104 G HA2 -0.202 3.760 3.960 0.003 0.000 0.225 104 G HA3 -0.202 3.760 3.960 0.003 0.000 0.225 104 G C 1.108 176.023 174.900 0.024 0.000 1.003 104 G CA 0.098 45.302 45.100 0.174 0.000 0.622 104 G HN 0.965 nan 8.290 nan 0.000 0.507 105 G N 0.107 108.797 108.800 -0.184 0.000 2.469 105 G HA2 -0.160 3.802 3.960 0.003 0.000 0.219 105 G HA3 -0.160 3.802 3.960 0.003 0.000 0.219 105 G C 1.433 176.234 174.900 -0.165 0.000 1.150 105 G CA 1.947 46.801 45.100 -0.410 0.000 0.763 105 G HN 0.731 nan 8.290 nan 0.000 0.561 106 Y N 0.972 121.142 120.300 -0.217 0.000 2.114 106 Y HA -0.112 4.440 4.550 0.004 0.000 0.284 106 Y C 3.034 178.811 175.900 -0.206 0.000 1.143 106 Y CA 2.185 60.183 58.100 -0.171 0.000 1.135 106 Y CB -0.387 37.996 38.460 -0.128 0.000 0.980 106 Y HN 0.241 nan 8.280 nan 0.000 0.499 107 Q N -0.635 118.999 119.800 -0.275 0.000 2.167 107 Q HA -0.098 4.244 4.340 0.003 0.000 0.202 107 Q C 2.268 177.694 176.000 -0.956 0.000 0.970 107 Q CA 1.630 57.117 55.803 -0.527 0.000 0.855 107 Q CB -0.268 28.322 28.738 -0.248 0.000 0.911 107 Q HN 0.410 nan 8.270 nan 0.000 0.438 108 V N -0.085 119.281 119.914 -0.913 0.000 2.223 108 V HA -0.224 3.898 4.120 0.003 0.000 0.244 108 V C 1.752 177.511 176.094 -0.558 0.000 1.045 108 V CA 1.331 63.053 62.300 -0.964 0.000 1.000 108 V CB -0.398 31.077 31.823 -0.581 0.000 0.635 108 V HN 0.452 nan 8.190 nan 0.000 0.445 109 M N -0.097 119.294 119.600 -0.348 0.000 2.766 109 M HA 0.074 4.556 4.480 0.003 0.000 0.208 109 M C 1.126 177.268 176.300 -0.264 0.000 1.152 109 M CA 0.702 55.872 55.300 -0.216 0.000 1.013 109 M CB -0.622 31.912 32.600 -0.111 0.000 1.813 109 M HN 0.413 nan 8.290 nan 0.000 0.478 110 S N -1.474 114.007 115.700 -0.366 0.000 2.918 110 S HA 0.175 4.647 4.470 0.003 0.000 0.264 110 S C 1.226 175.673 174.600 -0.256 0.000 1.078 110 S CA -0.219 57.778 58.200 -0.340 0.000 0.918 110 S CB 0.601 63.485 63.200 -0.527 0.000 0.882 110 S HN 0.313 nan 8.310 nan 0.000 0.466 111 L N 2.196 123.229 121.223 -0.317 0.000 2.286 111 L HA 0.344 4.686 4.340 0.003 0.000 0.203 111 L C 1.412 178.227 176.870 -0.091 0.000 1.068 111 L CA 0.729 55.462 54.840 -0.179 0.000 0.811 111 L CB -0.575 41.393 42.059 -0.152 0.000 0.989 111 L HN 0.299 nan 8.230 nan 0.000 0.467 116 K N 2.939 123.423 120.400 0.140 0.000 2.530 116 K HA 0.340 4.662 4.320 0.003 0.000 0.230 116 K C -0.510 176.175 176.600 0.140 0.000 1.002 116 K CA -0.466 55.889 56.287 0.114 0.000 1.014 116 K CB 0.629 33.181 32.500 0.087 0.000 1.286 116 K HN 0.562 nan 8.250 nan 0.000 0.480 117 Q N 2.009 121.895 119.800 0.143 0.000 2.279 117 Q HA 0.170 4.511 4.340 0.003 0.000 0.256 117 Q C -0.216 175.889 176.000 0.176 0.000 0.937 117 Q CA -0.302 55.615 55.803 0.189 0.000 0.933 117 Q CB 1.626 30.475 28.738 0.185 0.000 1.189 117 Q HN 0.734 nan 8.270 nan 0.000 0.417 118 S N 0.814 116.650 115.700 0.227 0.000 3.081 118 S HA 0.299 4.771 4.470 0.003 0.000 0.316 118 S C 0.526 175.311 174.600 0.308 0.000 1.089 118 S CA -0.635 57.684 58.200 0.198 0.000 0.897 118 S CB 1.017 64.305 63.200 0.146 0.000 1.358 118 S HN 0.606 nan 8.310 nan 0.000 0.678 119 E N 0.239 120.598 120.200 0.265 0.000 2.307 119 E HA 0.145 4.497 4.350 0.003 0.000 0.195 119 E C 1.676 178.539 176.600 0.437 0.000 0.975 119 E CA 0.824 57.440 56.400 0.360 0.000 0.878 119 E CB -0.136 29.687 29.700 0.204 0.000 0.845 119 E HN 0.666 nan 8.360 nan 0.000 0.488 120 E N -0.620 119.722 120.200 0.235 0.000 2.107 120 E HA 0.017 4.369 4.350 0.003 0.000 0.191 120 E C 0.792 177.381 176.600 -0.018 0.000 0.982 120 E CA 1.054 57.520 56.400 0.109 0.000 0.809 120 E CB 0.148 29.879 29.700 0.052 0.000 0.756 120 E HN 0.262 nan 8.360 nan 0.000 0.459 121 G N -0.499 108.314 108.800 0.022 0.000 2.485 121 G HA2 0.263 4.225 3.960 0.003 0.000 0.182 121 G HA3 0.263 4.225 3.960 0.003 0.000 0.182 121 G C -1.663 173.275 174.900 0.063 0.000 1.172 121 G CA -0.070 44.919 45.100 -0.186 0.000 0.996 121 G HN 0.179 nan 8.290 nan 0.000 0.496 122 V N 0.062 120.020 119.914 0.074 0.000 2.841 122 V HA 0.830 4.952 4.120 0.003 0.000 0.310 122 V C -0.900 175.353 176.094 0.265 0.000 1.090 122 V CA -0.138 62.295 62.300 0.222 0.000 0.930 122 V CB 2.117 34.120 31.823 0.300 0.000 1.014 122 V HN 1.020 nan 8.190 nan 0.000 0.425 123 T N 7.203 121.913 114.554 0.261 0.000 2.824 123 T HA 0.794 5.146 4.350 0.003 0.000 0.282 123 T C -0.911 173.984 174.700 0.324 0.000 0.993 123 T CA -0.120 62.111 62.100 0.218 0.000 0.967 123 T CB 1.078 69.994 68.868 0.079 0.000 0.960 123 T HN 0.729 nan 8.240 nan 0.000 0.441 134 M N 2.820 122.380 119.600 -0.066 0.000 2.268 134 M HA 0.513 4.995 4.480 0.003 0.000 0.344 134 M C -1.557 174.762 176.300 0.032 0.000 1.106 134 M CA -1.061 54.235 55.300 -0.007 0.000 1.010 134 M CB 1.188 33.761 32.600 -0.045 0.000 1.649 134 M HN 0.326 nan 8.290 nan 0.000 0.443 135 L N 5.606 126.867 121.223 0.063 0.000 2.345 135 L HA 0.753 5.095 4.340 0.003 0.000 0.274 135 L C -1.028 175.546 176.870 -0.494 0.000 0.999 135 L CA 0.192 54.983 54.840 -0.081 0.000 0.849 135 L CB 1.116 43.266 42.059 0.151 0.000 1.220 135 L HN 0.888 nan 8.230 nan 0.000 0.422 136 S N 3.864 119.210 115.700 -0.591 0.000 2.607 136 S HA 0.704 5.176 4.470 0.003 0.000 0.303 136 S C -2.201 171.835 174.600 -0.941 0.000 1.086 136 S CA -1.397 56.334 58.200 -0.781 0.000 0.995 136 S CB 1.701 64.665 63.200 -0.395 0.000 1.084 136 S HN 0.435 nan 8.310 nan 0.000 0.507 137 P HA -0.180 nan 4.420 nan 0.000 0.217 137 P C 1.002 178.166 177.300 -0.226 0.000 1.158 137 P CA 1.619 64.453 63.100 -0.444 0.000 0.887 137 P CB 0.015 31.603 31.700 -0.188 0.000 0.792 138 E N -1.152 118.931 120.200 -0.195 0.000 2.038 138 E HA -0.217 4.135 4.350 0.003 0.000 0.195 138 E C 2.141 178.679 176.600 -0.104 0.000 1.000 138 E CA 1.229 57.568 56.400 -0.101 0.000 0.803 138 E CB -0.647 29.002 29.700 -0.085 0.000 0.750 138 E HN 0.017 nan 8.360 nan 0.000 0.448 139 R N 0.488 120.889 120.500 -0.165 0.000 2.096 139 R HA -0.030 4.312 4.340 0.003 0.000 0.235 139 R C 2.287 178.533 176.300 -0.090 0.000 1.127 139 R CA 1.732 57.761 56.100 -0.120 0.000 0.968 139 R CB -0.967 29.249 30.300 -0.141 0.000 0.861 139 R HN 0.161 nan 8.270 nan 0.000 0.440 140 S N -0.223 115.381 115.700 -0.160 0.000 2.359 140 S HA -0.070 4.402 4.470 0.003 0.000 0.224 140 S C 1.857 176.492 174.600 0.059 0.000 1.035 140 S CA 1.366 59.548 58.200 -0.031 0.000 1.018 140 S CB -0.242 62.971 63.200 0.021 0.000 0.876 140 S HN 0.331 nan 8.310 nan 0.000 0.448 141 I N 1.811 122.416 120.570 0.060 0.000 2.286 141 I HA -0.116 4.056 4.170 0.003 0.000 0.248 141 I C 2.568 178.750 176.117 0.108 0.000 1.115 141 I CA 1.505 62.877 61.300 0.119 0.000 1.392 141 I CB -1.512 36.568 38.000 0.134 0.000 1.065 141 I HN 0.560 nan 8.210 nan 0.000 0.418 142 E N 1.293 121.529 120.200 0.061 0.000 2.072 142 E HA -0.193 4.159 4.350 0.003 0.000 0.191 142 E C 2.436 179.107 176.600 0.118 0.000 0.985 142 E CA 1.021 57.472 56.400 0.085 0.000 0.801 142 E CB 0.034 29.755 29.700 0.034 0.000 0.750 142 E HN 0.411 nan 8.360 nan 0.000 0.452 143 I N 1.018 121.629 120.570 0.070 0.000 2.163 143 I HA -0.330 3.842 4.170 0.003 0.000 0.243 143 I C 2.603 178.760 176.117 0.067 0.000 1.085 143 I CA 1.460 62.792 61.300 0.054 0.000 1.347 143 I CB -0.324 37.704 38.000 0.046 0.000 1.044 143 I HN 0.232 nan 8.210 nan 0.000 0.408 144 Q N -0.604 119.255 119.800 0.099 0.000 2.226 144 Q HA -0.287 4.055 4.340 0.003 0.000 0.204 144 Q C 2.054 178.124 176.000 0.117 0.000 0.975 144 Q CA 1.763 57.631 55.803 0.107 0.000 0.866 144 Q CB -0.329 28.490 28.738 0.135 0.000 0.915 144 Q HN 0.597 nan 8.270 nan 0.000 0.440 145 H N 0.732 119.825 119.070 0.040 0.000 2.333 145 H HA -0.038 4.520 4.556 0.003 0.000 0.302 145 H C 1.789 177.125 175.328 0.013 0.000 1.075 145 H CA 1.370 57.428 56.048 0.015 0.000 1.348 145 H CB -0.209 29.541 29.762 -0.020 0.000 1.393 145 H HN 0.104 nan 8.280 nan 0.000 0.509 146 L N -0.004 121.104 121.223 -0.191 0.000 2.127 146 L HA -0.162 4.180 4.340 0.003 0.000 0.211 146 L C 2.423 179.196 176.870 -0.161 0.000 1.089 146 L CA 0.961 55.661 54.840 -0.233 0.000 0.757 146 L CB -0.362 41.649 42.059 -0.081 0.000 0.899 146 L HN 0.337 nan 8.230 nan 0.000 0.434 147 L N -0.414 120.763 121.223 -0.077 0.000 2.275 147 L HA -0.025 4.317 4.340 0.003 0.000 0.215 147 L C 1.472 178.356 176.870 0.024 0.000 1.119 147 L CA 0.765 55.589 54.840 -0.027 0.000 0.790 147 L CB -0.630 41.431 42.059 0.005 0.000 0.919 147 L HN 0.538 nan 8.230 nan 0.000 0.443 148 G N 0.214 109.009 108.800 -0.007 0.000 2.149 148 G HA2 -0.282 3.680 3.960 0.003 0.000 0.235 148 G HA3 -0.282 3.680 3.960 0.003 0.000 0.235 148 G C 0.333 175.351 174.900 0.196 0.000 1.018 148 G CA 0.397 45.535 45.100 0.062 0.000 0.728 148 G HN 0.324 nan 8.290 nan 0.000 0.508 149 S N -0.521 115.273 115.700 0.157 0.000 2.560 149 S HA 0.291 4.763 4.470 0.003 0.000 0.284 149 S C 1.405 176.121 174.600 0.193 0.000 1.327 149 S CA 0.621 58.928 58.200 0.179 0.000 1.055 149 S CB 0.459 63.728 63.200 0.115 0.000 0.868 149 S HN 0.301 nan 8.310 nan 0.000 0.506 150 D N 2.972 123.492 120.400 0.200 0.000 2.216 150 D HA 0.135 4.777 4.640 0.003 0.000 0.208 150 D C 0.165 176.545 176.300 0.134 0.000 0.960 150 D CA 0.972 55.078 54.000 0.177 0.000 0.861 150 D CB 0.259 41.177 40.800 0.195 0.000 0.985 150 D HN 0.491 nan 8.370 nan 0.000 0.493 151 I N 2.052 122.644 120.570 0.036 0.000 2.411 151 I HA 0.145 4.317 4.170 0.003 0.000 0.284 151 I C -0.594 175.464 176.117 -0.100 0.000 1.012 151 I CA -0.586 60.644 61.300 -0.116 0.000 1.119 151 I CB 2.557 40.330 38.000 -0.378 0.000 1.261 151 I HN -0.356 nan 8.210 nan 0.000 0.448 152 V N 6.738 126.646 119.914 -0.011 0.000 2.465 152 V HA 0.351 4.473 4.120 0.003 0.000 0.279 152 V C 0.470 176.548 176.094 -0.026 0.000 1.045 152 V CA -0.457 61.874 62.300 0.052 0.000 0.938 152 V CB 1.384 33.348 31.823 0.235 0.000 0.986 152 V HN 0.569 nan 8.190 nan 0.000 0.467 153 M N 3.629 123.225 119.600 -0.007 0.000 2.277 153 M HA 0.514 4.996 4.480 0.003 0.000 0.350 153 M C 0.337 176.642 176.300 0.008 0.000 1.180 153 M CA -0.485 54.800 55.300 -0.025 0.000 1.103 153 M CB 1.202 33.791 32.600 -0.019 0.000 1.577 153 M HN 0.709 nan 8.290 nan 0.000 0.459 154 A N 2.665 125.449 122.820 -0.060 0.000 2.462 154 A HA 0.304 4.626 4.320 0.003 0.000 0.243 154 A C -0.419 177.217 177.584 0.087 0.000 1.076 154 A CA -0.325 51.718 52.037 0.009 0.000 0.773 154 A CB -0.074 18.851 19.000 -0.125 0.000 1.010 154 A HN 0.725 nan 8.150 nan 0.000 0.493 155 F N 3.001 122.980 119.950 0.049 0.000 2.484 155 F HA 0.379 4.908 4.527 0.004 0.000 0.360 155 F C 0.583 176.500 175.800 0.196 0.000 1.101 155 F CA 0.783 58.811 58.000 0.046 0.000 1.251 155 F CB 0.520 39.476 39.000 -0.073 0.000 1.132 155 F HN 0.808 nan 8.300 nan 0.000 0.570 156 D N 3.376 123.466 120.400 -0.516 0.000 2.921 156 D HA 0.224 4.866 4.640 0.003 0.000 0.329 156 D C -1.761 174.483 176.300 -0.093 0.000 1.293 156 D CA -0.689 53.281 54.000 -0.049 0.000 0.964 156 D CB 1.443 42.211 40.800 -0.053 0.000 1.435 156 D HN 0.575 nan 8.370 nan 0.000 0.548 157 E N -0.377 119.846 120.200 0.038 0.000 2.244 157 E HA 0.383 4.735 4.350 0.003 0.000 0.260 157 E C -1.474 175.130 176.600 0.007 0.000 0.884 157 E CA -0.820 55.605 56.400 0.042 0.000 0.777 157 E CB 1.661 31.402 29.700 0.068 0.000 1.197 157 E HN 0.535 nan 8.360 nan 0.000 0.416 158 C N 5.279 124.603 119.300 0.040 0.000 2.289 158 C HA 0.318 4.780 4.460 0.003 0.000 0.340 158 C C 0.370 175.402 174.990 0.069 0.000 1.152 158 C CA -0.165 58.894 59.018 0.069 0.000 1.650 158 C CB -1.326 26.548 27.740 0.224 0.000 2.203 158 C HN 0.699 nan 8.230 nan 0.000 0.511 159 T N 9.598 124.180 114.554 0.047 0.000 2.871 159 T HA 0.144 4.496 4.350 0.003 0.000 0.296 159 T C -1.953 172.800 174.700 0.088 0.000 0.998 159 T CA 0.032 62.169 62.100 0.061 0.000 1.162 159 T CB 0.255 69.164 68.868 0.067 0.000 0.947 159 T HN 0.631 nan 8.240 nan 0.000 0.536 160 P HA 0.201 nan 4.420 nan 0.000 0.271 160 P C -1.175 176.219 177.300 0.156 0.000 1.244 160 P CA -0.448 62.712 63.100 0.101 0.000 0.793 160 P CB 0.373 32.108 31.700 0.058 0.000 0.984 161 Y N 0.966 121.273 120.300 0.011 0.000 2.391 161 Y HA 0.446 4.998 4.550 0.004 0.000 0.341 161 Y C -2.037 173.868 175.900 0.007 0.000 0.965 161 Y CA -2.077 56.024 58.100 0.002 0.000 1.067 161 Y CB 0.790 39.242 38.460 -0.014 0.000 1.199 161 Y HN 0.367 nan 8.280 nan 0.000 0.450 162 P HA 0.712 nan 4.420 nan 0.000 0.307 162 P C -1.764 175.416 177.300 -0.200 0.000 1.306 162 P CA -0.603 62.021 63.100 -0.794 0.000 0.742 162 P CB 0.977 32.252 31.700 -0.707 0.000 1.349 163 A N -0.358 122.420 122.820 -0.069 0.000 2.511 163 A HA 0.491 4.813 4.320 0.003 0.000 0.292 163 A C -0.006 177.702 177.584 0.207 0.000 1.045 163 A CA -0.504 51.581 52.037 0.080 0.000 0.870 163 A CB -0.018 19.063 19.000 0.135 0.000 1.361 163 A HN 0.696 nan 8.150 nan 0.000 0.396 164 T N 1.446 116.068 114.554 0.113 0.000 2.906 164 T HA 0.324 4.676 4.350 0.003 0.000 0.320 164 T C -1.450 173.264 174.700 0.024 0.000 1.088 164 T CA -0.218 61.929 62.100 0.078 0.000 1.120 164 T CB 0.238 69.108 68.868 0.004 0.000 1.000 164 T HN 0.265 nan 8.240 nan 0.000 0.550 165 P HA -0.184 nan 4.420 nan 0.000 0.216 165 P C 2.016 179.171 177.300 -0.243 0.000 1.157 165 P CA 1.473 64.200 63.100 -0.622 0.000 0.880 165 P CB -0.171 31.113 31.700 -0.694 0.000 0.791 166 S N -1.011 114.599 115.700 -0.150 0.000 2.359 166 S HA -0.246 4.226 4.470 0.003 0.000 0.222 166 S C 1.963 176.539 174.600 -0.042 0.000 1.038 166 S CA 1.551 59.700 58.200 -0.085 0.000 1.051 166 S CB -0.584 62.578 63.200 -0.063 0.000 0.944 166 S HN 0.003 nan 8.310 nan 0.000 0.433 167 R N 0.823 121.315 120.500 -0.013 0.000 2.080 167 R HA -0.076 4.266 4.340 0.003 0.000 0.236 167 R C 2.684 179.006 176.300 0.036 0.000 1.137 167 R CA 1.459 57.567 56.100 0.014 0.000 0.943 167 R CB -0.835 29.483 30.300 0.031 0.000 0.846 167 R HN 0.507 nan 8.270 nan 0.000 0.431 168 A N 1.230 124.108 122.820 0.097 0.000 1.986 168 A HA -0.154 4.168 4.320 0.003 0.000 0.220 168 A C 2.308 179.944 177.584 0.087 0.000 1.171 168 A CA 1.858 53.990 52.037 0.159 0.000 0.640 168 A CB -0.568 18.678 19.000 0.410 0.000 0.811 168 A HN 0.454 nan 8.150 nan 0.000 0.451 169 A N -1.444 121.392 122.820 0.026 0.000 2.072 169 A HA 0.120 4.442 4.320 0.003 0.000 0.216 169 A C 2.315 179.880 177.584 -0.030 0.000 1.156 169 A CA 1.619 53.651 52.037 -0.009 0.000 0.701 169 A CB -0.545 18.426 19.000 -0.048 0.000 0.816 169 A HN 0.507 nan 8.150 nan 0.000 0.458 170 S N -0.324 115.355 115.700 -0.034 0.000 2.336 170 S HA -0.099 4.373 4.470 0.003 0.000 0.216 170 S C 2.270 176.814 174.600 -0.093 0.000 1.032 170 S CA 1.684 59.849 58.200 -0.057 0.000 0.973 170 S CB -0.423 62.751 63.200 -0.043 0.000 0.888 170 S HN 0.553 nan 8.310 nan 0.000 0.455 171 S N 2.240 117.893 115.700 -0.078 0.000 2.369 171 S HA -0.189 4.283 4.470 0.003 0.000 0.225 171 S C 1.956 176.465 174.600 -0.152 0.000 1.043 171 S CA 1.797 59.925 58.200 -0.120 0.000 1.074 171 S CB -0.608 62.560 63.200 -0.052 0.000 0.962 171 S HN 0.521 nan 8.310 nan 0.000 0.433 172 M N 1.620 121.174 119.600 -0.077 0.000 2.088 172 M HA -0.194 4.288 4.480 0.003 0.000 0.256 172 M C 1.941 178.183 176.300 -0.095 0.000 1.071 172 M CA 1.825 57.088 55.300 -0.062 0.000 1.097 172 M CB -1.073 31.525 32.600 -0.005 0.000 1.315 172 M HN 0.339 nan 8.290 nan 0.000 0.406 173 E N -0.608 119.534 120.200 -0.096 0.000 2.058 173 E HA -0.257 4.095 4.350 0.003 0.000 0.194 173 E C 2.119 178.611 176.600 -0.181 0.000 0.997 173 E CA 1.753 58.092 56.400 -0.101 0.000 0.801 173 E CB -0.253 29.400 29.700 -0.078 0.000 0.746 173 E HN 0.504 nan 8.360 nan 0.000 0.450 174 R N 0.491 120.814 120.500 -0.295 0.000 2.081 174 R HA -0.131 4.211 4.340 0.003 0.000 0.235 174 R C 2.306 178.139 176.300 -0.778 0.000 1.131 174 R CA 1.749 57.512 56.100 -0.561 0.000 0.960 174 R CB -0.122 29.760 30.300 -0.697 0.000 0.856 174 R HN -0.011 nan 8.270 nan 0.000 0.436 175 S N 0.499 115.878 115.700 -0.534 0.000 2.353 175 S HA -0.143 4.329 4.470 0.003 0.000 0.222 175 S C 1.847 176.412 174.600 -0.059 0.000 1.035 175 S CA 1.565 59.606 58.200 -0.265 0.000 1.025 175 S CB -0.127 62.999 63.200 -0.124 0.000 0.902 175 S HN 0.306 nan 8.310 nan 0.000 0.440 176 M N 1.037 120.601 119.600 -0.061 0.000 2.267 176 M HA -0.012 4.470 4.480 0.003 0.000 0.263 176 M C 1.949 178.288 176.300 0.065 0.000 1.063 176 M CA 1.233 56.550 55.300 0.029 0.000 1.090 176 M CB -1.160 31.451 32.600 0.018 0.000 1.392 176 M HN 0.262 nan 8.290 nan 0.000 0.422 177 R N -1.392 119.106 120.500 -0.003 0.000 2.093 177 R HA -0.132 4.210 4.340 0.003 0.000 0.224 177 R C 2.064 178.519 176.300 0.259 0.000 1.101 177 R CA 0.948 57.091 56.100 0.072 0.000 0.979 177 R CB -0.093 30.205 30.300 -0.003 0.000 0.877 177 R HN 0.388 nan 8.270 nan 0.000 0.441 178 W N 0.621 121.990 121.300 0.115 0.000 2.436 178 W HA 0.087 4.749 4.660 0.003 0.000 0.284 178 W C 2.291 178.905 176.519 0.159 0.000 1.225 178 W CA 0.393 57.831 57.345 0.155 0.000 1.271 178 W CB -0.920 28.671 29.460 0.217 0.000 1.114 178 W HN 0.142 nan 8.180 nan 0.000 0.559 179 A N 0.713 123.749 122.820 0.360 0.000 1.883 179 A HA -0.276 4.046 4.320 0.003 0.000 0.217 179 A C 2.062 179.858 177.584 0.353 0.000 1.186 179 A CA 2.636 54.871 52.037 0.330 0.000 0.624 179 A CB -0.744 18.430 19.000 0.290 0.000 0.822 179 A HN 0.124 nan 8.150 nan 0.000 0.444 180 K N 0.063 120.614 120.400 0.251 0.000 2.026 180 K HA -0.091 4.231 4.320 0.003 0.000 0.208 180 K C 2.082 178.778 176.600 0.160 0.000 1.048 180 K CA 1.798 58.183 56.287 0.163 0.000 0.929 180 K CB -0.359 32.212 32.500 0.118 0.000 0.713 180 K HN 0.480 nan 8.250 nan 0.000 0.439 181 R N -0.211 120.405 120.500 0.195 0.000 2.092 181 R HA -0.003 4.339 4.340 0.003 0.000 0.231 181 R C 2.450 178.846 176.300 0.159 0.000 1.119 181 R CA 1.508 57.703 56.100 0.159 0.000 0.970 181 R CB -0.324 30.078 30.300 0.170 0.000 0.864 181 R HN 0.128 nan 8.270 nan 0.000 0.440 182 S N 0.583 116.410 115.700 0.213 0.000 2.359 182 S HA -0.181 4.291 4.470 0.003 0.000 0.224 182 S C 1.823 176.568 174.600 0.241 0.000 1.035 182 S CA 1.511 59.844 58.200 0.221 0.000 1.018 182 S CB -0.226 63.125 63.200 0.252 0.000 0.876 182 S HN 0.198 nan 8.310 nan 0.000 0.448 183 R N 2.186 122.828 120.500 0.236 0.000 2.080 183 R HA -0.110 4.232 4.340 0.003 0.000 0.236 183 R C 1.488 177.882 176.300 0.156 0.000 1.137 183 R CA 2.123 58.315 56.100 0.153 0.000 0.943 183 R CB -1.189 29.093 30.300 -0.029 0.000 0.846 183 R HN 0.288 nan 8.270 nan 0.000 0.431 184 D N 0.201 120.669 120.400 0.113 0.000 2.097 184 D HA -0.096 4.546 4.640 0.003 0.000 0.195 184 D C 1.775 178.136 176.300 0.101 0.000 0.989 184 D CA 1.780 55.833 54.000 0.089 0.000 0.827 184 D CB -0.495 40.342 40.800 0.060 0.000 0.966 184 D HN 0.391 nan 8.370 nan 0.000 0.456 185 A N 0.629 123.515 122.820 0.109 0.000 1.948 185 A HA -0.214 4.108 4.320 0.003 0.000 0.220 185 A C 2.079 179.721 177.584 0.096 0.000 1.177 185 A CA 1.223 53.307 52.037 0.079 0.000 0.636 185 A CB -0.964 18.082 19.000 0.077 0.000 0.815 185 A HN 0.274 nan 8.150 nan 0.000 0.449 186 F N 0.965 120.927 119.950 0.020 0.000 2.163 186 F HA -0.080 4.449 4.527 0.004 0.000 0.297 186 F C 1.511 177.308 175.800 -0.004 0.000 1.094 186 F CA 1.763 59.773 58.000 0.018 0.000 1.290 186 F CB -0.055 38.980 39.000 0.059 0.000 1.017 186 F HN 0.218 nan 8.300 nan 0.000 0.483 187 D N -0.263 120.283 120.400 0.244 0.000 2.348 187 D HA -0.104 4.538 4.640 0.003 0.000 0.216 187 D C 2.412 178.703 176.300 -0.016 0.000 0.970 187 D CA 1.236 55.308 54.000 0.121 0.000 0.889 187 D CB -0.228 40.654 40.800 0.138 0.000 0.912 187 D HN 0.438 nan 8.370 nan 0.000 0.524 188 S N 0.106 115.781 115.700 -0.042 0.000 2.414 188 S HA -0.060 4.412 4.470 0.003 0.000 0.227 188 S C 1.438 175.963 174.600 -0.124 0.000 1.022 188 S CA -0.040 58.121 58.200 -0.065 0.000 0.958 188 S CB 0.029 63.200 63.200 -0.048 0.000 0.797 188 S HN -0.080 nan 8.310 nan 0.000 0.493 189 R N 2.748 123.122 120.500 -0.210 0.000 2.429 189 R HA 0.246 4.588 4.340 0.003 0.000 0.302 189 R C 1.474 177.621 176.300 -0.255 0.000 1.268 189 R CA -0.193 55.735 56.100 -0.288 0.000 1.090 189 R CB 0.092 30.110 30.300 -0.471 0.000 1.102 189 R HN 0.265 nan 8.270 nan 0.000 0.522 190 K N 1.966 122.273 120.400 -0.155 0.000 2.077 190 K HA -0.248 4.074 4.320 0.003 0.000 0.213 190 K C 0.504 177.044 176.600 -0.099 0.000 1.051 190 K CA 1.735 57.959 56.287 -0.104 0.000 0.929 190 K CB 0.310 32.773 32.500 -0.061 0.000 0.715 190 K HN 0.502 nan 8.250 nan 0.000 0.451 191 E N 0.413 120.559 120.200 -0.090 0.000 2.358 191 E HA -0.131 4.221 4.350 0.003 0.000 0.195 191 E C 1.863 178.432 176.600 -0.053 0.000 1.010 191 E CA 0.597 56.973 56.400 -0.040 0.000 0.856 191 E CB 0.164 29.872 29.700 0.013 0.000 0.795 191 E HN 0.497 nan 8.360 nan 0.000 0.504 192 Q N 0.021 119.717 119.800 -0.172 0.000 2.061 192 Q HA 0.023 4.365 4.340 0.003 0.000 0.195 192 Q C 2.033 177.794 176.000 -0.399 0.000 0.967 192 Q CA 1.013 56.670 55.803 -0.244 0.000 0.829 192 Q CB -0.045 28.434 28.738 -0.431 0.000 0.900 192 Q HN 0.154 nan 8.270 nan 0.000 0.450 193 A N 0.886 123.377 122.820 -0.549 0.000 2.024 193 A HA -0.218 4.104 4.320 0.003 0.000 0.220 193 A C 1.631 179.241 177.584 0.043 0.000 1.164 193 A CA 1.735 53.587 52.037 -0.308 0.000 0.643 193 A CB -0.414 18.505 19.000 -0.135 0.000 0.806 193 A HN 0.561 nan 8.150 nan 0.000 0.451 194 E N -1.017 119.181 120.200 -0.003 0.000 2.318 194 E HA -0.007 4.345 4.350 0.003 0.000 0.193 194 E C 0.924 177.574 176.600 0.083 0.000 0.998 194 E CA 0.410 56.842 56.400 0.054 0.000 0.859 194 E CB 0.066 29.781 29.700 0.025 0.000 0.812 194 E HN 0.570 nan 8.360 nan 0.000 0.492 195 N N -0.251 118.496 118.700 0.078 0.000 2.332 195 N HA 0.125 4.867 4.740 0.003 0.000 0.190 195 N C 0.135 175.738 175.510 0.154 0.000 1.117 195 N CA 0.203 53.313 53.050 0.100 0.000 0.883 195 N CB 1.101 39.626 38.487 0.063 0.000 1.089 195 N HN -0.030 nan 8.380 nan 0.000 0.480 196 A N 0.449 123.393 122.820 0.207 0.000 2.373 196 A HA 0.892 5.214 4.320 0.003 0.000 0.291 196 A C -0.720 177.095 177.584 0.385 0.000 1.171 196 A CA -0.380 51.830 52.037 0.289 0.000 0.922 196 A CB 1.121 20.309 19.000 0.314 0.000 1.400 196 A HN 0.112 nan 8.150 nan 0.000 0.474 197 A N -0.799 122.172 122.820 0.252 0.000 2.423 197 A HA 0.753 5.075 4.320 0.003 0.000 0.304 197 A C -1.282 176.189 177.584 -0.188 0.000 1.104 197 A CA -0.467 51.551 52.037 -0.031 0.000 0.757 197 A CB 1.219 20.016 19.000 -0.339 0.000 1.313 197 A HN 1.005 nan 8.150 nan 0.000 0.423 198 L N 1.223 122.206 121.223 -0.401 0.000 2.381 198 L HA 0.661 5.003 4.340 0.003 0.000 0.274 198 L C -1.794 175.085 176.870 0.015 0.000 0.988 198 L CA -0.518 54.099 54.840 -0.372 0.000 0.824 198 L CB 1.362 42.892 42.059 -0.883 0.000 1.263 198 L HN 0.688 nan 8.230 nan 0.000 0.410 199 F N 1.766 121.490 119.950 -0.376 0.000 2.450 199 F HA 0.664 5.192 4.527 0.003 0.000 0.332 199 F C 0.864 176.164 175.800 -0.834 0.000 1.093 199 F CA -0.974 56.735 58.000 -0.485 0.000 1.003 199 F CB 2.040 40.881 39.000 -0.264 0.000 1.151 199 F HN 0.364 nan 8.300 nan 0.000 0.474 200 G N 2.415 110.485 108.800 -1.217 0.000 2.434 200 G HA2 0.688 4.650 3.960 0.003 0.000 0.330 200 G HA3 0.688 4.650 3.960 0.003 0.000 0.330 200 G C -1.158 173.370 174.900 -0.620 0.000 1.155 200 G CA -0.658 43.555 45.100 -1.479 0.000 0.917 200 G HN 0.520 nan 8.290 nan 0.000 0.493 201 I N 0.600 120.937 120.570 -0.389 0.000 2.418 201 I HA 0.252 4.424 4.170 0.003 0.000 0.287 201 I C 0.147 176.179 176.117 -0.141 0.000 1.008 201 I CA -0.616 60.547 61.300 -0.227 0.000 1.104 201 I CB 2.035 39.916 38.000 -0.199 0.000 1.264 201 I HN 0.483 nan 8.210 nan 0.000 0.438 202 Q N 6.234 125.977 119.800 -0.096 0.000 2.327 202 Q HA 0.300 4.642 4.340 0.003 0.000 0.254 202 Q C -1.006 174.964 176.000 -0.050 0.000 0.952 202 Q CA -0.208 55.572 55.803 -0.038 0.000 0.884 202 Q CB 1.343 30.076 28.738 -0.008 0.000 1.224 202 Q HN 0.539 nan 8.270 nan 0.000 0.422 203 Q N 1.206 120.994 119.800 -0.020 0.000 3.146 203 Q HA 0.552 4.894 4.340 0.003 0.000 0.318 203 Q C -0.254 175.764 176.000 0.029 0.000 0.992 203 Q CA -0.089 55.706 55.803 -0.015 0.000 0.809 203 Q CB 1.747 30.471 28.738 -0.024 0.000 1.490 203 Q HN 1.002 nan 8.270 nan 0.000 0.493 204 G N 0.056 108.889 108.800 0.054 0.000 2.147 204 G HA2 -0.143 3.819 3.960 0.003 0.000 0.128 204 G HA3 -0.143 3.819 3.960 0.003 0.000 0.128 204 G C 0.277 175.263 174.900 0.143 0.000 1.026 204 G CA 0.762 45.935 45.100 0.121 0.000 0.693 204 G HN 0.728 nan 8.290 nan 0.000 0.499 205 S N -2.243 113.498 115.700 0.069 0.000 3.366 205 S HA -0.356 4.116 4.470 0.003 0.000 0.625 205 S C 1.848 176.372 174.600 -0.127 0.000 2.797 205 S CA 3.080 61.266 58.200 -0.024 0.000 3.953 205 S CB -1.054 62.127 63.200 -0.031 0.000 0.301 205 S HN 1.993 nan 8.310 nan 0.000 1.237 206 V N -0.241 119.445 119.914 -0.379 0.000 3.415 206 V HA 0.512 4.634 4.120 0.003 0.000 0.325 206 V C 0.109 176.053 176.094 -0.250 0.000 1.313 206 V CA 0.136 62.267 62.300 -0.282 0.000 1.228 206 V CB -1.029 30.643 31.823 -0.252 0.000 1.131 206 V HN 0.449 nan 8.190 nan 0.000 0.433 207 F N 1.122 121.179 119.950 0.179 0.000 2.391 207 F HA 0.503 5.032 4.527 0.004 0.000 0.359 207 F C 1.546 177.379 175.800 0.055 0.000 1.122 207 F CA -1.137 56.923 58.000 0.100 0.000 1.120 207 F CB 1.449 40.478 39.000 0.049 0.000 1.142 207 F HN 0.144 nan 8.300 nan 0.000 0.483 208 E N 3.128 123.321 120.200 -0.011 0.000 2.049 208 E HA -0.300 4.052 4.350 0.003 0.000 0.198 208 E C 1.892 178.419 176.600 -0.121 0.000 1.007 208 E CA 2.193 58.336 56.400 -0.427 0.000 0.809 208 E CB 0.032 29.199 29.700 -0.888 0.000 0.749 208 E HN 0.733 nan 8.360 nan 0.000 0.450 209 N N 0.609 119.278 118.700 -0.052 0.000 2.166 209 N HA -0.196 4.546 4.740 0.003 0.000 0.186 209 N C 1.883 177.410 175.510 0.028 0.000 1.019 209 N CA 1.231 54.269 53.050 -0.021 0.000 0.856 209 N CB -0.509 37.959 38.487 -0.031 0.000 0.993 209 N HN 0.197 nan 8.380 nan 0.000 0.426 210 L N 0.976 122.251 121.223 0.086 0.000 2.056 210 L HA 0.009 4.351 4.340 0.003 0.000 0.207 210 L C 2.728 179.658 176.870 0.099 0.000 1.078 210 L CA 1.236 56.136 54.840 0.100 0.000 0.749 210 L CB -0.652 41.515 42.059 0.179 0.000 0.901 210 L HN 0.082 nan 8.230 nan 0.000 0.433 211 R N -0.484 120.097 120.500 0.135 0.000 2.081 211 R HA -0.190 4.152 4.340 0.003 0.000 0.235 211 R C 2.244 178.602 176.300 0.097 0.000 1.131 211 R CA 1.283 57.466 56.100 0.138 0.000 0.960 211 R CB -0.637 29.814 30.300 0.252 0.000 0.856 211 R HN 0.388 nan 8.270 nan 0.000 0.436 212 Q N 1.143 120.988 119.800 0.075 0.000 2.050 212 Q HA -0.147 4.195 4.340 0.003 0.000 0.202 212 Q C 2.033 178.056 176.000 0.037 0.000 0.980 212 Q CA 1.766 57.597 55.803 0.046 0.000 0.840 212 Q CB -0.135 28.613 28.738 0.016 0.000 0.898 212 Q HN 0.362 nan 8.270 nan 0.000 0.424 213 Q N -0.569 119.251 119.800 0.033 0.000 2.014 213 Q HA -0.229 4.113 4.340 0.003 0.000 0.207 213 Q C 2.257 178.282 176.000 0.040 0.000 0.993 213 Q CA 1.794 57.614 55.803 0.028 0.000 0.850 213 Q CB -0.532 28.219 28.738 0.021 0.000 0.916 213 Q HN 0.422 nan 8.270 nan 0.000 0.417 214 S N -0.073 115.655 115.700 0.047 0.000 2.372 214 S HA -0.275 4.197 4.470 0.003 0.000 0.227 214 S C 1.971 176.616 174.600 0.076 0.000 1.044 214 S CA 1.418 59.650 58.200 0.054 0.000 1.050 214 S CB -0.355 62.873 63.200 0.047 0.000 0.901 214 S HN 0.488 nan 8.310 nan 0.000 0.447 215 A N 1.558 124.418 122.820 0.067 0.000 1.883 215 A HA -0.167 4.155 4.320 0.003 0.000 0.217 215 A C 1.967 179.597 177.584 0.076 0.000 1.186 215 A CA 2.013 54.089 52.037 0.065 0.000 0.624 215 A CB -1.065 17.947 19.000 0.021 0.000 0.822 215 A HN 0.626 nan 8.150 nan 0.000 0.444 216 D N -0.053 120.379 120.400 0.053 0.000 2.117 216 D HA -0.095 4.547 4.640 0.003 0.000 0.197 216 D C 2.284 178.628 176.300 0.073 0.000 0.987 216 D CA 1.564 55.593 54.000 0.048 0.000 0.829 216 D CB -0.408 40.410 40.800 0.031 0.000 0.961 216 D HN 0.439 nan 8.370 nan 0.000 0.460 217 A N 0.834 123.703 122.820 0.081 0.000 1.902 217 A HA -0.161 4.161 4.320 0.003 0.000 0.217 217 A C 2.181 179.854 177.584 0.148 0.000 1.181 217 A CA 1.002 53.094 52.037 0.091 0.000 0.623 217 A CB -0.591 18.456 19.000 0.079 0.000 0.818 217 A HN 0.116 nan 8.150 nan 0.000 0.443 218 L N -0.425 120.931 121.223 0.221 0.000 1.994 218 L HA -0.087 4.255 4.340 0.003 0.000 0.208 218 L C 2.997 180.117 176.870 0.416 0.000 1.071 218 L CA 1.999 57.080 54.840 0.402 0.000 0.745 218 L CB -1.218 41.098 42.059 0.427 0.000 0.892 218 L HN 0.396 nan 8.230 nan 0.000 0.431 219 A N -1.092 121.939 122.820 0.353 0.000 1.972 219 A HA -0.234 4.088 4.320 0.003 0.000 0.219 219 A C 2.275 179.927 177.584 0.114 0.000 1.169 219 A CA 1.700 53.886 52.037 0.248 0.000 0.635 219 A CB -0.476 18.567 19.000 0.072 0.000 0.810 219 A HN 0.423 nan 8.150 nan 0.000 0.446 220 E N 0.411 120.658 120.200 0.078 0.000 2.072 220 E HA -0.116 4.236 4.350 0.003 0.000 0.191 220 E C 1.693 178.277 176.600 -0.025 0.000 0.985 220 E CA 1.427 57.843 56.400 0.025 0.000 0.801 220 E CB -0.358 29.359 29.700 0.029 0.000 0.750 220 E HN 0.652 nan 8.360 nan 0.000 0.452 221 I N -0.337 120.200 120.570 -0.056 0.000 2.252 221 I HA 0.018 4.190 4.170 0.003 0.000 0.245 221 I C 0.983 176.861 176.117 -0.398 0.000 1.102 221 I CA 0.740 61.910 61.300 -0.217 0.000 1.385 221 I CB -0.475 37.359 38.000 -0.277 0.000 1.064 221 I HN 0.289 nan 8.210 nan 0.000 0.414 222 G N 1.154 109.715 108.800 -0.398 0.000 3.190 222 G HA2 -0.140 3.822 3.960 0.003 0.000 0.686 222 G HA3 -0.140 3.822 3.960 0.003 0.000 0.686 222 G C -0.927 173.500 174.900 -0.789 0.000 1.033 222 G CA -0.868 44.020 45.100 -0.354 0.000 0.797 222 G HN 0.050 nan 8.290 nan 0.000 0.567 223 F N 0.469 120.303 119.950 -0.193 0.000 2.662 223 F HA 0.514 5.043 4.527 0.003 0.000 0.312 223 F C 0.812 176.389 175.800 -0.373 0.000 1.113 223 F CA -1.073 56.670 58.000 -0.428 0.000 0.951 223 F CB 1.638 40.145 39.000 -0.820 0.000 1.344 223 F HN 0.352 nan 8.300 nan 0.000 0.462 224 D N 0.477 120.734 120.400 -0.240 0.000 2.323 224 D HA 0.220 4.862 4.640 0.003 0.000 0.209 224 D C 0.653 176.628 176.300 -0.542 0.000 0.973 224 D CA 0.866 54.653 54.000 -0.356 0.000 0.874 224 D CB 0.566 40.955 40.800 -0.685 0.000 0.930 224 D HN 0.597 nan 8.370 nan 0.000 0.521 225 G N -0.604 107.566 108.800 -1.050 0.000 2.677 225 G HA2 0.454 4.416 3.960 0.003 0.000 0.291 225 G HA3 0.454 4.416 3.960 0.003 0.000 0.291 225 G C -2.053 172.159 174.900 -1.146 0.000 1.435 225 G CA -0.689 43.527 45.100 -1.473 0.000 0.826 225 G HN -0.116 nan 8.290 nan 0.000 0.491 226 Y N -0.009 119.916 120.300 -0.625 0.000 2.361 226 Y HA 0.716 5.268 4.550 0.003 0.000 0.337 226 Y C 0.541 176.329 175.900 -0.187 0.000 0.965 226 Y CA -0.818 57.072 58.100 -0.351 0.000 1.091 226 Y CB 2.256 40.534 38.460 -0.304 0.000 1.182 226 Y HN 0.826 nan 8.280 nan 0.000 0.450 227 A N 2.213 125.019 122.820 -0.024 0.000 2.306 227 A HA 0.806 5.128 4.320 0.003 0.000 0.330 227 A C -1.111 176.384 177.584 -0.150 0.000 1.146 227 A CA -0.747 51.239 52.037 -0.084 0.000 0.827 227 A CB 0.880 19.730 19.000 -0.251 0.000 1.178 227 A HN 0.521 nan 8.150 nan 0.000 0.490 228 V N 2.344 122.144 119.914 -0.190 0.000 2.318 228 V HA 0.529 4.651 4.120 0.003 0.000 0.271 228 V C 0.994 176.957 176.094 -0.219 0.000 1.030 228 V CA 0.171 62.376 62.300 -0.157 0.000 0.844 228 V CB 0.652 32.405 31.823 -0.117 0.000 1.015 228 V HN 1.127 nan 8.190 nan 0.000 0.460 229 G N 2.720 111.405 108.800 -0.193 0.000 2.537 229 G HA2 0.528 4.490 3.960 0.003 0.000 0.297 229 G HA3 0.528 4.490 3.960 0.003 0.000 0.297 229 G C 0.951 175.757 174.900 -0.157 0.000 1.310 229 G CA -0.074 44.897 45.100 -0.214 0.000 1.027 229 G HN 1.520 nan 8.290 nan 0.000 0.505 230 G N -1.808 106.903 108.800 -0.149 0.000 2.233 230 G HA2 -0.236 3.725 3.960 0.003 0.000 0.270 230 G HA3 -0.236 3.725 3.960 0.003 0.000 0.270 230 G C 0.240 175.076 174.900 -0.106 0.000 1.011 230 G CA 1.003 46.050 45.100 -0.089 0.000 0.762 230 G HN 0.529 nan 8.290 nan 0.000 0.511 231 L N -2.058 119.077 121.223 -0.145 0.000 2.271 231 L HA 0.698 5.040 4.340 0.003 0.000 0.265 231 L C 1.623 178.406 176.870 -0.145 0.000 1.013 231 L CA -0.654 54.092 54.840 -0.156 0.000 0.820 231 L CB 1.567 43.539 42.059 -0.146 0.000 1.352 231 L HN 1.037 nan 8.230 nan 0.000 0.443 232 A N 0.327 123.056 122.820 -0.152 0.000 2.832 232 A HA -0.154 4.168 4.320 0.003 0.000 0.280 232 A C 0.587 178.129 177.584 -0.070 0.000 1.464 232 A CA 0.932 52.906 52.037 -0.106 0.000 0.804 232 A CB -2.344 16.621 19.000 -0.057 0.000 1.020 232 A HN 0.845 nan 8.150 nan 0.000 0.563 233 V N -4.368 115.487 119.914 -0.097 0.000 3.342 233 V HA 0.648 4.770 4.120 0.003 0.000 0.322 233 V C 1.468 177.560 176.094 -0.004 0.000 1.370 233 V CA 0.637 62.933 62.300 -0.006 0.000 1.170 233 V CB -0.350 31.495 31.823 0.035 0.000 1.101 233 V HN 2.334 nan 8.190 nan 0.000 0.442 234 G N 1.391 110.140 108.800 -0.085 0.000 2.227 234 G HA2 -0.191 3.771 3.960 0.003 0.000 0.168 234 G HA3 -0.191 3.771 3.960 0.003 0.000 0.168 234 G C 0.708 175.516 174.900 -0.152 0.000 1.006 234 G CA 0.218 45.302 45.100 -0.027 0.000 0.684 234 G HN 0.636 nan 8.290 nan 0.000 0.489 235 E N 1.572 121.460 120.200 -0.520 0.000 2.481 235 E HA 0.390 4.742 4.350 0.003 0.000 0.195 235 E C 1.172 177.611 176.600 -0.268 0.000 1.047 235 E CA 1.140 57.138 56.400 -0.671 0.000 0.867 235 E CB -0.224 28.849 29.700 -1.046 0.000 0.858 235 E HN 1.942 nan 8.360 nan 0.000 0.513 236 G N 1.730 110.414 108.800 -0.193 0.000 2.755 236 G HA2 -0.338 3.624 3.960 0.003 0.000 0.686 236 G HA3 -0.338 3.624 3.960 0.003 0.000 0.686 236 G C 0.208 174.981 174.900 -0.211 0.000 1.427 236 G CA 0.117 45.130 45.100 -0.144 0.000 0.873 236 G HN 0.262 nan 8.290 nan 0.000 0.580 237 Q N -0.204 119.453 119.800 -0.237 0.000 2.030 237 Q HA -0.183 4.159 4.340 0.003 0.000 0.204 237 Q C 2.151 177.880 176.000 -0.450 0.000 0.986 237 Q CA 2.303 57.840 55.803 -0.443 0.000 0.843 237 Q CB -0.199 28.277 28.738 -0.437 0.000 0.904 237 Q HN 0.726 nan 8.270 nan 0.000 0.420 238 D N 0.136 120.408 120.400 -0.213 0.000 2.127 238 D HA -0.235 4.407 4.640 0.003 0.000 0.190 238 D C 1.838 178.101 176.300 -0.061 0.000 1.000 238 D CA 1.762 55.721 54.000 -0.069 0.000 0.839 238 D CB -0.256 40.533 40.800 -0.019 0.000 0.955 238 D HN 0.314 nan 8.370 nan 0.000 0.446 239 E N 0.775 120.916 120.200 -0.098 0.000 2.038 239 E HA -0.173 4.179 4.350 0.003 0.000 0.195 239 E C 2.176 178.696 176.600 -0.133 0.000 1.000 239 E CA 0.923 57.267 56.400 -0.094 0.000 0.803 239 E CB -0.468 29.156 29.700 -0.127 0.000 0.750 239 E HN 0.277 nan 8.360 nan 0.000 0.448 240 M N -0.765 118.708 119.600 -0.211 0.000 2.073 240 M HA -0.213 4.269 4.480 0.003 0.000 0.258 240 M C 1.616 177.874 176.300 -0.070 0.000 1.070 240 M CA 1.820 56.999 55.300 -0.202 0.000 1.103 240 M CB -0.245 32.193 32.600 -0.271 0.000 1.321 240 M HN 0.134 nan 8.290 nan 0.000 0.405 241 F N 0.345 120.249 119.950 -0.076 0.000 2.095 241 F HA -0.174 4.356 4.527 0.005 0.000 0.298 241 F C 2.702 178.428 175.800 -0.124 0.000 1.104 241 F CA 1.810 59.771 58.000 -0.066 0.000 1.232 241 F CB -1.421 37.566 39.000 -0.021 0.000 0.987 241 F HN 0.259 nan 8.300 nan 0.000 0.475 242 R N 0.467 121.020 120.500 0.087 0.000 2.094 242 R HA -0.179 4.163 4.340 0.003 0.000 0.239 242 R C 2.118 178.241 176.300 -0.295 0.000 1.137 242 R CA 2.160 58.250 56.100 -0.017 0.000 0.943 242 R CB -0.603 29.720 30.300 0.038 0.000 0.850 242 R HN 0.168 nan 8.270 nan 0.000 0.433 243 V N 1.238 120.939 119.914 -0.355 0.000 2.358 243 V HA -0.234 3.888 4.120 0.003 0.000 0.246 243 V C 2.404 177.996 176.094 -0.837 0.000 1.047 243 V CA 1.649 63.495 62.300 -0.756 0.000 1.035 243 V CB -0.421 31.206 31.823 -0.327 0.000 0.658 243 V HN 0.359 nan 8.190 nan 0.000 0.452 244 L N -0.251 120.759 121.223 -0.355 0.000 2.083 244 L HA -0.206 4.136 4.340 0.003 0.000 0.209 244 L C 2.445 179.181 176.870 -0.223 0.000 1.083 244 L CA 1.525 56.245 54.840 -0.199 0.000 0.752 244 L CB -0.760 41.307 42.059 0.012 0.000 0.899 244 L HN 0.356 nan 8.230 nan 0.000 0.433 245 D N 0.225 120.484 120.400 -0.237 0.000 2.149 245 D HA -0.230 4.412 4.640 0.003 0.000 0.194 245 D C 1.841 178.116 176.300 -0.041 0.000 1.001 245 D CA 1.865 55.797 54.000 -0.113 0.000 0.849 245 D CB -0.089 40.685 40.800 -0.044 0.000 0.939 245 D HN 0.494 nan 8.370 nan 0.000 0.449 246 F N -0.764 119.214 119.950 0.046 0.000 2.678 246 F HA 0.345 4.874 4.527 0.003 0.000 0.291 246 F C 2.194 178.012 175.800 0.030 0.000 1.123 246 F CA -0.164 57.858 58.000 0.037 0.000 1.395 246 F CB -0.562 38.459 39.000 0.035 0.000 1.121 246 F HN -0.247 nan 8.300 nan 0.000 0.592 247 S N 1.366 117.094 115.700 0.046 0.000 2.357 247 S HA -0.095 4.377 4.470 0.003 0.000 0.221 247 S C 2.204 176.832 174.600 0.047 0.000 1.031 247 S CA 1.324 59.588 58.200 0.107 0.000 0.982 247 S CB -0.720 62.466 63.200 -0.023 0.000 0.853 247 S HN 0.255 nan 8.310 nan 0.000 0.458 248 V N 2.946 122.872 119.914 0.019 0.000 2.324 248 V HA -0.127 3.995 4.120 0.003 0.000 0.250 248 V C -0.815 175.333 176.094 0.089 0.000 1.060 248 V CA 1.737 64.078 62.300 0.069 0.000 1.042 248 V CB -2.027 29.872 31.823 0.125 0.000 0.650 248 V HN 0.339 nan 8.190 nan 0.000 0.450 249 P HA -0.099 nan 4.420 nan 0.000 0.225 249 P C 1.794 179.120 177.300 0.042 0.000 1.148 249 P CA 1.309 64.460 63.100 0.085 0.000 0.779 249 P CB -0.114 31.637 31.700 0.086 0.000 0.780 250 M N -1.616 118.002 119.600 0.030 0.000 2.175 250 M HA -0.064 4.418 4.480 0.003 0.000 0.264 250 M C 0.822 177.062 176.300 -0.101 0.000 1.063 250 M CA 1.057 56.354 55.300 -0.005 0.000 1.119 250 M CB -0.734 31.884 32.600 0.030 0.000 1.377 250 M HN -0.110 nan 8.290 nan 0.000 0.415 251 L N 0.429 121.543 121.223 -0.183 0.000 2.473 251 L HA 0.132 4.474 4.340 0.003 0.000 0.268 251 L C -2.057 174.582 176.870 -0.386 0.000 1.215 251 L CA -1.986 52.596 54.840 -0.429 0.000 0.823 251 L CB -0.685 41.009 42.059 -0.608 0.000 1.099 251 L HN -0.166 nan 8.230 nan 0.000 0.483 252 P HA -0.024 nan 4.420 nan 0.000 0.269 252 P C -0.205 177.064 177.300 -0.052 0.000 1.217 252 P CA 0.023 62.960 63.100 -0.271 0.000 0.783 252 P CB 0.630 32.133 31.700 -0.327 0.000 0.898 253 D N 0.160 120.601 120.400 0.067 0.000 2.262 253 D HA -0.119 4.523 4.640 0.003 0.000 0.212 253 D C 0.820 177.254 176.300 0.224 0.000 0.964 253 D CA 0.558 54.664 54.000 0.178 0.000 0.875 253 D CB -0.109 40.746 40.800 0.091 0.000 0.996 253 D HN 0.362 nan 8.370 nan 0.000 0.497 254 D N -0.164 120.337 120.400 0.168 0.000 2.332 254 D HA -0.027 4.615 4.640 0.003 0.000 0.244 254 D C -0.119 176.418 176.300 0.396 0.000 1.136 254 D CA 0.323 54.439 54.000 0.194 0.000 0.884 254 D CB 0.006 40.872 40.800 0.110 0.000 0.906 254 D HN 0.031 nan 8.370 nan 0.000 0.520 255 K N 0.447 121.114 120.400 0.445 0.000 2.385 255 K HA 0.469 4.791 4.320 0.003 0.000 0.248 255 K C -2.875 173.880 176.600 0.259 0.000 0.955 255 K CA -2.357 54.175 56.287 0.409 0.000 0.816 255 K CB 1.680 34.336 32.500 0.260 0.000 1.250 255 K HN -0.139 nan 8.250 nan 0.000 0.434 256 P HA 0.091 nan 4.420 nan 0.000 0.268 256 P C -0.931 176.440 177.300 0.119 0.000 1.205 256 P CA 0.109 62.971 63.100 -0.396 0.000 0.771 256 P CB 0.294 31.732 31.700 -0.437 0.000 0.858 257 H N 1.637 120.652 119.070 -0.090 0.000 2.511 257 H HA 0.351 4.909 4.556 0.004 0.000 0.328 257 H C -0.888 174.465 175.328 0.041 0.000 1.044 257 H CA -0.324 55.721 56.048 -0.005 0.000 1.212 257 H CB 0.248 30.002 29.762 -0.013 0.000 1.428 257 H HN 0.335 nan 8.280 nan 0.000 0.483 258 Y N 4.432 124.741 120.300 0.016 0.000 2.345 258 Y HA 0.331 4.883 4.550 0.003 0.000 0.331 258 Y C -1.428 174.380 175.900 -0.153 0.000 0.959 258 Y CA -1.866 56.197 58.100 -0.061 0.000 1.204 258 Y CB 0.596 39.112 38.460 0.094 0.000 1.135 258 Y HN 0.531 nan 8.280 nan 0.000 0.477 259 L N 7.675 128.845 121.223 -0.088 0.000 2.261 259 L HA 0.437 4.779 4.340 0.003 0.000 0.289 259 L C -0.664 176.057 176.870 -0.248 0.000 1.059 259 L CA -0.223 54.473 54.840 -0.240 0.000 0.816 259 L CB 0.250 42.144 42.059 -0.275 0.000 1.191 259 L HN 0.678 nan 8.230 nan 0.000 0.431 260 M N 5.073 124.390 119.600 -0.471 0.000 2.200 260 M HA 0.314 4.796 4.480 0.003 0.000 0.355 260 M C 1.321 177.477 176.300 -0.239 0.000 1.283 260 M CA 0.526 55.539 55.300 -0.478 0.000 1.124 260 M CB 0.777 32.969 32.600 -0.681 0.000 1.625 260 M HN 0.880 nan 8.290 nan 0.000 0.463 261 G N 2.410 111.143 108.800 -0.111 0.000 2.198 261 G HA2 -0.177 3.785 3.960 0.003 0.000 0.260 261 G HA3 -0.177 3.785 3.960 0.003 0.000 0.260 261 G C -0.360 174.579 174.900 0.065 0.000 1.025 261 G CA -0.216 44.854 45.100 -0.049 0.000 0.769 261 G HN 0.579 nan 8.290 nan 0.000 0.507 262 V N -0.430 119.588 119.914 0.172 0.000 2.417 262 V HA 0.796 4.918 4.120 0.003 0.000 0.291 262 V C 1.017 177.376 176.094 0.442 0.000 1.024 262 V CA 0.574 63.038 62.300 0.273 0.000 0.861 262 V CB 1.527 33.528 31.823 0.296 0.000 0.985 262 V HN 0.839 nan 8.190 nan 0.000 0.436 263 G N 3.641 112.653 108.800 0.353 0.000 3.584 263 G HA2 0.084 4.046 3.960 0.003 0.000 0.201 263 G HA3 0.084 4.046 3.960 0.003 0.000 0.201 263 G C 0.325 175.389 174.900 0.274 0.000 1.176 263 G CA -0.367 44.983 45.100 0.415 0.000 0.902 263 G HN 0.512 nan 8.290 nan 0.000 0.678 264 K N 1.275 121.802 120.400 0.212 0.000 2.489 264 K HA 0.156 4.478 4.320 0.003 0.000 0.278 264 K C -1.435 175.177 176.600 0.020 0.000 1.000 264 K CA -1.208 55.191 56.287 0.186 0.000 1.012 264 K CB 1.544 34.178 32.500 0.222 0.000 0.903 264 K HN -0.114 nan 8.250 nan 0.000 0.485 265 P HA -0.253 nan 4.420 nan 0.000 0.216 265 P C 0.574 177.802 177.300 -0.121 0.000 1.167 265 P CA 1.463 64.342 63.100 -0.369 0.000 0.914 265 P CB 0.181 31.629 31.700 -0.419 0.000 0.793 266 D N -1.360 119.122 120.400 0.138 0.000 2.149 266 D HA -0.172 4.470 4.640 0.003 0.000 0.198 266 D C 1.429 177.923 176.300 0.324 0.000 0.990 266 D CA 1.242 55.467 54.000 0.375 0.000 0.839 266 D CB -0.614 40.552 40.800 0.610 0.000 0.948 266 D HN 0.048 nan 8.370 nan 0.000 0.460 267 D N -0.222 120.326 120.400 0.246 0.000 2.097 267 D HA -0.111 4.531 4.640 0.003 0.000 0.195 267 D C 2.302 178.783 176.300 0.303 0.000 0.989 267 D CA 0.594 54.768 54.000 0.289 0.000 0.827 267 D CB -0.285 40.628 40.800 0.188 0.000 0.966 267 D HN 0.366 nan 8.370 nan 0.000 0.456 268 I N 0.664 121.265 120.570 0.051 0.000 2.127 268 I HA -0.258 3.914 4.170 0.003 0.000 0.241 268 I C 2.471 178.554 176.117 -0.055 0.000 1.075 268 I CA 0.748 61.887 61.300 -0.269 0.000 1.334 268 I CB -0.449 37.118 38.000 -0.720 0.000 1.040 268 I HN -0.097 nan 8.210 nan 0.000 0.405 269 V N 1.364 121.267 119.914 -0.018 0.000 2.252 269 V HA -0.283 3.839 4.120 0.003 0.000 0.249 269 V C 2.659 178.868 176.094 0.192 0.000 1.056 269 V CA 2.422 64.785 62.300 0.104 0.000 1.022 269 V CB -1.576 30.262 31.823 0.024 0.000 0.641 269 V HN 0.604 nan 8.190 nan 0.000 0.445 270 G N -0.659 108.243 108.800 0.169 0.000 2.446 270 G HA2 -0.229 3.733 3.960 0.003 0.000 0.217 270 G HA3 -0.229 3.733 3.960 0.003 0.000 0.217 270 G C 1.764 176.647 174.900 -0.027 0.000 1.168 270 G CA 1.138 46.149 45.100 -0.148 0.000 0.771 270 G HN 0.648 nan 8.290 nan 0.000 0.551 271 A N 0.049 123.071 122.820 0.337 0.000 1.933 271 A HA 0.076 4.398 4.320 0.003 0.000 0.218 271 A C 2.593 180.376 177.584 0.332 0.000 1.175 271 A CA 1.833 54.102 52.037 0.387 0.000 0.628 271 A CB -0.558 18.806 19.000 0.606 0.000 0.814 271 A HN 0.279 nan 8.150 nan 0.000 0.444 272 V N 0.062 120.213 119.914 0.395 0.000 2.407 272 V HA -0.261 3.861 4.120 0.003 0.000 0.248 272 V C 2.339 178.564 176.094 0.219 0.000 1.055 272 V CA 2.181 64.650 62.300 0.282 0.000 1.049 272 V CB -0.855 31.077 31.823 0.181 0.000 0.662 272 V HN 0.629 nan 8.190 nan 0.000 0.455 273 E N 0.080 120.478 120.200 0.329 0.000 2.118 273 E HA -0.194 4.158 4.350 0.003 0.000 0.195 273 E C 2.126 178.801 176.600 0.124 0.000 0.992 273 E CA 0.991 57.579 56.400 0.314 0.000 0.804 273 E CB -0.127 29.645 29.700 0.120 0.000 0.741 273 E HN 0.549 nan 8.360 nan 0.000 0.458 274 R N -0.662 119.877 120.500 0.066 0.000 2.335 274 R HA 0.092 4.434 4.340 0.003 0.000 0.223 274 R C 0.845 177.179 176.300 0.057 0.000 0.940 274 R CA 0.481 56.603 56.100 0.037 0.000 1.086 274 R CB 0.638 30.943 30.300 0.007 0.000 1.073 274 R HN 0.237 nan 8.270 nan 0.000 0.504 275 G N 0.670 109.502 108.800 0.053 0.000 2.159 275 G HA2 -0.195 3.767 3.960 0.003 0.000 0.227 275 G HA3 -0.195 3.767 3.960 0.003 0.000 0.227 275 G C 0.100 174.978 174.900 -0.037 0.000 0.986 275 G CA -0.619 44.473 45.100 -0.013 0.000 0.651 275 G HN 0.117 nan 8.290 nan 0.000 0.523 276 I N 1.609 122.214 120.570 0.059 0.000 2.575 276 I HA 0.278 4.450 4.170 0.003 0.000 0.285 276 I C 0.590 176.728 176.117 0.035 0.000 1.085 276 I CA -0.129 61.181 61.300 0.016 0.000 1.403 276 I CB 1.141 39.072 38.000 -0.116 0.000 1.409 276 I HN 0.063 nan 8.210 nan 0.000 0.557 277 D N 4.987 125.382 120.400 -0.008 0.000 2.423 277 D HA 0.195 4.837 4.640 0.003 0.000 0.208 277 D C 0.235 176.580 176.300 0.076 0.000 1.068 277 D CA 0.690 54.722 54.000 0.053 0.000 0.860 277 D CB 0.987 41.782 40.800 -0.008 0.000 0.992 277 D HN 0.399 nan 8.370 nan 0.000 0.504 278 M N 0.293 119.839 119.600 -0.090 0.000 2.446 278 M HA 0.409 4.891 4.480 0.003 0.000 0.294 278 M C -1.543 174.615 176.300 -0.237 0.000 1.158 278 M CA -0.585 54.675 55.300 -0.068 0.000 0.899 278 M CB 2.892 35.363 32.600 -0.214 0.000 1.687 278 M HN -0.318 nan 8.290 nan 0.000 0.455 279 F N 0.412 120.391 119.950 0.048 0.000 2.613 279 F HA 0.652 5.181 4.527 0.003 0.000 0.314 279 F C -0.610 175.120 175.800 -0.117 0.000 1.075 279 F CA -0.980 57.106 58.000 0.144 0.000 0.945 279 F CB 1.829 41.013 39.000 0.307 0.000 1.310 279 F HN 0.530 nan 8.300 nan 0.000 0.467 280 D N 0.310 120.799 120.400 0.148 0.000 2.947 280 D HA 0.535 5.177 4.640 0.003 0.000 0.224 280 D C -1.682 174.633 176.300 0.024 0.000 1.230 280 D CA -0.276 53.618 54.000 -0.176 0.000 0.871 280 D CB 1.930 42.697 40.800 -0.056 0.000 1.671 280 D HN 0.679 nan 8.370 nan 0.000 0.507 281 C N 1.653 120.944 119.300 -0.015 0.000 3.284 281 C HA 0.366 4.828 4.460 0.003 0.000 0.338 281 C C 0.935 175.993 174.990 0.114 0.000 1.237 281 C CA -0.345 58.773 59.018 0.168 0.000 1.276 281 C CB 1.219 29.179 27.740 0.366 0.000 1.601 281 C HN 0.621 nan 8.230 nan 0.000 0.494 282 V N 2.925 122.885 119.914 0.077 0.000 3.354 282 V HA 0.139 4.261 4.120 0.003 0.000 0.258 282 V C 1.818 177.937 176.094 0.041 0.000 1.159 282 V CA 1.058 63.380 62.300 0.037 0.000 1.125 282 V CB -0.846 30.993 31.823 0.027 0.000 0.774 282 V HN 0.886 nan 8.190 nan 0.000 0.464 283 L N 0.641 121.909 121.223 0.076 0.000 2.011 283 L HA -0.190 4.152 4.340 0.003 0.000 0.225 283 L C 0.328 177.246 176.870 0.080 0.000 1.084 283 L CA 3.072 57.979 54.840 0.112 0.000 0.791 283 L CB -1.348 40.819 42.059 0.179 0.000 0.898 283 L HN 0.336 nan 8.230 nan 0.000 0.440 284 P HA -0.196 nan 4.420 nan 0.000 0.214 284 P C 1.608 178.898 177.300 -0.017 0.000 1.169 284 P CA 2.744 65.708 63.100 -0.227 0.000 0.908 284 P CB -0.280 30.986 31.700 -0.723 0.000 0.791 285 T N -2.306 112.226 114.554 -0.036 0.000 2.668 285 T HA -0.156 4.196 4.350 0.003 0.000 0.262 285 T C 1.976 176.679 174.700 0.006 0.000 1.045 285 T CA 1.183 63.276 62.100 -0.012 0.000 1.152 285 T CB -0.889 67.963 68.868 -0.027 0.000 0.864 285 T HN -0.009 nan 8.240 nan 0.000 0.419 286 R N 0.627 121.135 120.500 0.015 0.000 2.073 286 R HA -0.025 4.317 4.340 0.003 0.000 0.234 286 R C 2.881 179.197 176.300 0.026 0.000 1.134 286 R CA 1.460 57.570 56.100 0.017 0.000 0.952 286 R CB -0.704 29.611 30.300 0.025 0.000 0.850 286 R HN 0.429 nan 8.270 nan 0.000 0.433 287 S N -0.606 115.131 115.700 0.061 0.000 2.370 287 S HA -0.128 4.344 4.470 0.003 0.000 0.226 287 S C 1.863 176.468 174.600 0.007 0.000 1.033 287 S CA 1.540 59.771 58.200 0.051 0.000 1.011 287 S CB -0.591 62.694 63.200 0.142 0.000 0.852 287 S HN 0.646 nan 8.310 nan 0.000 0.457 288 G N 1.593 110.414 108.800 0.036 0.000 2.480 288 G HA2 -0.229 3.733 3.960 0.003 0.000 0.216 288 G HA3 -0.229 3.733 3.960 0.003 0.000 0.216 288 G C 1.477 176.362 174.900 -0.025 0.000 1.200 288 G CA 0.698 45.804 45.100 0.011 0.000 0.782 288 G HN 0.549 nan 8.290 nan 0.000 0.554 289 R N 0.084 120.570 120.500 -0.023 0.000 2.170 289 R HA -0.112 4.230 4.340 0.003 0.000 0.242 289 R C 2.180 178.450 176.300 -0.050 0.000 1.145 289 R CA 1.339 57.415 56.100 -0.041 0.000 0.984 289 R CB -0.291 29.988 30.300 -0.034 0.000 0.869 289 R HN 0.388 nan 8.270 nan 0.000 0.455 290 N N -0.827 117.848 118.700 -0.041 0.000 2.422 290 N HA -0.024 4.718 4.740 0.003 0.000 0.181 290 N C 0.730 176.203 175.510 -0.060 0.000 1.080 290 N CA 1.056 54.079 53.050 -0.046 0.000 0.893 290 N CB 0.797 39.266 38.487 -0.031 0.000 0.973 290 N HN 0.296 nan 8.380 nan 0.000 0.456 291 G N -0.525 108.232 108.800 -0.072 0.000 2.183 291 G HA2 -0.201 3.761 3.960 0.003 0.000 0.168 291 G HA3 -0.201 3.761 3.960 0.003 0.000 0.168 291 G C -0.302 174.535 174.900 -0.106 0.000 1.008 291 G CA -0.169 44.880 45.100 -0.084 0.000 0.677 291 G HN 0.465 nan 8.290 nan 0.000 0.498 292 Q N 0.497 120.217 119.800 -0.133 0.000 2.290 292 Q HA 0.733 5.074 4.340 0.003 0.000 0.259 292 Q C -0.182 175.642 176.000 -0.294 0.000 0.941 292 Q CA -0.028 55.634 55.803 -0.235 0.000 0.912 292 Q CB 1.384 29.947 28.738 -0.291 0.000 1.244 292 Q HN 0.773 nan 8.270 nan 0.000 0.441 293 A N 3.957 126.577 122.820 -0.334 0.000 2.342 293 A HA 0.637 4.959 4.320 0.003 0.000 0.323 293 A C -1.373 175.965 177.584 -0.410 0.000 1.125 293 A CA -0.572 51.320 52.037 -0.242 0.000 0.785 293 A CB 0.588 19.460 19.000 -0.214 0.000 1.221 293 A HN 0.728 nan 8.150 nan 0.000 0.463 294 F N 1.657 121.468 119.950 -0.232 0.000 2.410 294 F HA 0.529 5.057 4.527 0.003 0.000 0.348 294 F C 1.313 176.574 175.800 -0.898 0.000 1.106 294 F CA 0.593 58.219 58.000 -0.623 0.000 1.163 294 F CB 1.912 40.357 39.000 -0.925 0.000 1.129 294 F HN 0.642 nan 8.300 nan 0.000 0.516 295 T N -1.440 112.784 114.554 -0.550 0.000 2.901 295 T HA 0.258 4.610 4.350 0.003 0.000 0.293 295 T C 0.130 174.786 174.700 -0.073 0.000 1.084 295 T CA -0.874 61.031 62.100 -0.324 0.000 1.008 295 T CB 0.839 69.647 68.868 -0.099 0.000 1.170 295 T HN 0.594 nan 8.240 nan 0.000 0.509 296 W N 0.287 121.844 121.300 0.429 0.000 2.611 296 W HA 0.145 4.809 4.660 0.008 0.000 0.251 296 W C 1.043 177.705 176.519 0.238 0.000 1.265 296 W CA -0.006 57.632 57.345 0.489 0.000 1.295 296 W CB 0.145 29.835 29.460 0.383 0.000 1.129 296 W HN 0.644 nan 8.180 nan 0.000 0.630 297 D N -0.252 120.283 120.400 0.224 0.000 2.427 297 D HA 0.272 4.914 4.640 0.003 0.000 0.224 297 D C 1.025 177.179 176.300 -0.244 0.000 1.157 297 D CA 0.779 54.789 54.000 0.016 0.000 0.828 297 D CB 0.087 40.911 40.800 0.040 0.000 0.974 297 D HN 0.088 nan 8.370 nan 0.000 0.498 298 G N 2.414 110.917 108.800 -0.494 0.000 2.663 298 G HA2 -0.165 3.797 3.960 0.003 0.000 0.686 298 G HA3 -0.165 3.797 3.960 0.003 0.000 0.686 298 G C -2.948 171.651 174.900 -0.503 0.000 1.288 298 G CA -1.101 43.381 45.100 -1.031 0.000 0.836 298 G HN -0.075 nan 8.290 nan 0.000 0.584 299 P HA 0.615 nan 4.420 nan 0.000 0.274 299 P C 0.075 177.221 177.300 -0.256 0.000 1.246 299 P CA -0.159 62.716 63.100 -0.375 0.000 0.795 299 P CB 0.929 32.369 31.700 -0.433 0.000 1.006 300 I N -2.856 117.572 120.570 -0.236 0.000 2.894 300 I HA 0.510 4.682 4.170 0.003 0.000 0.302 300 I C -0.733 175.335 176.117 -0.082 0.000 1.188 300 I CA -1.093 60.160 61.300 -0.079 0.000 1.014 300 I CB 2.387 40.362 38.000 -0.041 0.000 1.242 300 I HN 0.080 nan 8.210 nan 0.000 0.430 301 N N 3.803 122.544 118.700 0.069 0.000 2.589 301 N HA 0.211 4.953 4.740 0.003 0.000 0.232 301 N C 0.534 176.152 175.510 0.179 0.000 1.015 301 N CA -0.353 52.724 53.050 0.045 0.000 0.931 301 N CB 1.328 39.839 38.487 0.039 0.000 1.150 301 N HN 0.873 nan 8.380 nan 0.000 0.512 302 I N 4.207 124.776 120.570 -0.001 0.000 2.502 302 I HA -0.222 3.950 4.170 0.003 0.000 0.258 302 I C 1.908 178.197 176.117 0.287 0.000 1.172 302 I CA 1.333 62.627 61.300 -0.010 0.000 1.430 302 I CB 0.101 37.996 38.000 -0.174 0.000 1.086 302 I HN 0.469 nan 8.210 nan 0.000 0.440 303 R N 0.256 120.846 120.500 0.149 0.000 2.237 303 R HA -0.077 4.265 4.340 0.003 0.000 0.219 303 R C 1.015 177.464 176.300 0.248 0.000 1.080 303 R CA 0.113 56.259 56.100 0.078 0.000 0.995 303 R CB -0.800 29.488 30.300 -0.019 0.000 0.875 303 R HN 0.404 nan 8.270 nan 0.000 0.462 304 N N 1.340 120.219 118.700 0.299 0.000 2.353 304 N HA -0.098 4.644 4.740 0.003 0.000 0.248 304 N C 0.735 176.341 175.510 0.161 0.000 1.240 304 N CA 0.453 53.593 53.050 0.151 0.000 0.862 304 N CB 1.013 39.486 38.487 -0.024 0.000 1.086 304 N HN 0.128 nan 8.380 nan 0.000 0.453 305 A N 4.335 127.193 122.820 0.063 0.000 2.125 305 A HA -0.184 4.138 4.320 0.003 0.000 0.219 305 A C 1.868 179.347 177.584 -0.174 0.000 1.156 305 A CA 1.433 53.475 52.037 0.008 0.000 0.671 305 A CB -0.285 18.715 19.000 0.000 0.000 0.794 305 A HN 0.882 nan 8.150 nan 0.000 0.459 306 R N -2.296 118.027 120.500 -0.295 0.000 2.323 306 R HA 0.141 4.483 4.340 0.003 0.000 0.198 306 R C 0.445 176.469 176.300 -0.459 0.000 0.988 306 R CA 0.884 56.743 56.100 -0.402 0.000 1.041 306 R CB -0.386 29.618 30.300 -0.492 0.000 0.926 306 R HN 0.341 nan 8.270 nan 0.000 0.476 307 F N 1.072 120.908 119.950 -0.190 0.000 2.695 307 F HA 0.205 4.734 4.527 0.003 0.000 0.303 307 F C 2.141 177.720 175.800 -0.369 0.000 1.091 307 F CA -0.061 57.823 58.000 -0.193 0.000 1.300 307 F CB 0.379 39.333 39.000 -0.077 0.000 1.071 307 F HN 0.119 nan 8.300 nan 0.000 0.578 308 S N 0.400 115.798 115.700 -0.505 0.000 2.407 308 S HA -0.241 4.231 4.470 0.003 0.000 0.235 308 S C 1.095 175.615 174.600 -0.133 0.000 1.036 308 S CA 1.854 59.743 58.200 -0.519 0.000 1.013 308 S CB -0.421 62.581 63.200 -0.329 0.000 0.820 308 S HN 0.593 nan 8.310 nan 0.000 0.476 309 E N 0.293 120.453 120.200 -0.067 0.000 2.876 309 E HA 0.209 4.561 4.350 0.003 0.000 0.208 309 E C -1.089 175.526 176.600 0.025 0.000 0.981 309 E CA -0.310 56.087 56.400 -0.005 0.000 1.174 309 E CB 0.342 30.034 29.700 -0.014 0.000 1.047 309 E HN 0.348 nan 8.360 nan 0.000 0.477 310 D N 1.410 121.845 120.400 0.059 0.000 2.336 310 D HA 0.098 4.740 4.640 0.003 0.000 0.249 310 D C 0.726 177.078 176.300 0.086 0.000 1.213 310 D CA -0.074 53.983 54.000 0.096 0.000 0.870 310 D CB 1.027 41.953 40.800 0.209 0.000 1.076 310 D HN 0.175 nan 8.370 nan 0.000 0.483 311 L N 3.108 124.369 121.223 0.063 0.000 2.591 311 L HA 0.070 4.412 4.340 0.003 0.000 0.228 311 L C 1.244 178.144 176.870 0.050 0.000 1.133 311 L CA 0.282 55.156 54.840 0.056 0.000 0.880 311 L CB -0.041 42.039 42.059 0.037 0.000 1.033 311 L HN 0.106 nan 8.230 nan 0.000 0.450 312 K N 1.200 121.631 120.400 0.052 0.000 2.168 312 K HA 0.240 4.562 4.320 0.003 0.000 0.258 312 K C -2.153 174.461 176.600 0.023 0.000 1.010 312 K CA -1.740 54.570 56.287 0.038 0.000 0.929 312 K CB 0.457 32.983 32.500 0.043 0.000 0.998 312 K HN -0.178 nan 8.250 nan 0.000 0.479 313 P HA -0.021 nan 4.420 nan 0.000 0.275 313 P C 0.676 177.926 177.300 -0.083 0.000 1.266 313 P CA -0.452 62.646 63.100 -0.003 0.000 0.793 313 P CB 0.525 32.237 31.700 0.020 0.000 1.074 314 L N -0.375 120.741 121.223 -0.179 0.000 2.021 314 L HA -0.102 4.240 4.340 0.003 0.000 0.215 314 L C 1.187 177.909 176.870 -0.247 0.000 1.074 314 L CA 1.981 56.605 54.840 -0.361 0.000 0.760 314 L CB -1.231 40.372 42.059 -0.760 0.000 0.889 314 L HN 0.535 nan 8.230 nan 0.000 0.433 315 D N -2.306 118.028 120.400 -0.110 0.000 2.787 315 D HA 0.084 4.726 4.640 0.003 0.000 0.246 315 D C 0.864 177.233 176.300 0.115 0.000 1.150 315 D CA 0.506 54.547 54.000 0.068 0.000 0.864 315 D CB 1.967 42.910 40.800 0.238 0.000 1.481 315 D HN 0.066 nan 8.370 nan 0.000 0.509 316 S N 2.667 118.442 115.700 0.125 0.000 2.442 316 S HA -0.149 4.323 4.470 0.003 0.000 0.236 316 S C 1.023 175.678 174.600 0.093 0.000 1.007 316 S CA 1.090 59.349 58.200 0.098 0.000 0.965 316 S CB -0.013 63.243 63.200 0.093 0.000 0.773 316 S HN 0.607 nan 8.310 nan 0.000 0.504 317 E N -0.428 119.868 120.200 0.159 0.000 2.434 317 E HA 0.219 4.571 4.350 0.003 0.000 0.207 317 E C 0.500 177.069 176.600 -0.052 0.000 0.929 317 E CA -0.231 56.203 56.400 0.058 0.000 1.001 317 E CB 0.518 30.277 29.700 0.098 0.000 1.016 317 E HN 0.520 nan 8.360 nan 0.000 0.502 318 C N 2.759 122.171 119.300 0.186 0.000 2.538 318 C HA -0.073 4.389 4.460 0.003 0.000 0.408 318 C C 1.372 176.369 174.990 0.011 0.000 1.421 318 C CA -0.005 59.143 59.018 0.216 0.000 1.642 318 C CB -0.386 27.612 27.740 0.429 0.000 2.553 318 C HN 0.447 nan 8.230 nan 0.000 0.604 319 H N 4.158 123.357 119.070 0.215 0.000 2.526 319 H HA 0.100 4.658 4.556 0.002 0.000 0.274 319 H C 1.386 176.802 175.328 0.146 0.000 0.999 319 H CA 0.552 56.688 56.048 0.148 0.000 1.157 319 H CB -0.612 29.215 29.762 0.108 0.000 1.407 319 H HN 0.901 nan 8.280 nan 0.000 0.568 320 C N 0.066 119.525 119.300 0.265 0.000 2.656 320 C HA 0.529 4.991 4.460 0.003 0.000 0.391 320 C C 2.270 177.386 174.990 0.210 0.000 1.300 320 C CA -0.039 59.121 59.018 0.237 0.000 2.302 320 C CB 0.764 28.660 27.740 0.261 0.000 2.655 320 C HN 0.459 nan 8.230 nan 0.000 0.656 321 A N 2.393 125.329 122.820 0.193 0.000 1.986 321 A HA -0.060 4.262 4.320 0.003 0.000 0.220 321 A C 2.056 179.769 177.584 0.214 0.000 1.171 321 A CA 2.313 54.450 52.037 0.167 0.000 0.640 321 A CB -0.875 18.232 19.000 0.179 0.000 0.811 321 A HN 1.074 nan 8.150 nan 0.000 0.451 322 V N -1.403 118.716 119.914 0.342 0.000 2.358 322 V HA -0.261 3.861 4.120 0.003 0.000 0.246 322 V C 2.375 178.666 176.094 0.328 0.000 1.047 322 V CA 1.889 64.491 62.300 0.503 0.000 1.035 322 V CB -0.926 31.148 31.823 0.418 0.000 0.658 322 V HN 0.681 nan 8.190 nan 0.000 0.452 323 C N -0.383 119.053 119.300 0.228 0.000 2.522 323 C HA -0.032 4.430 4.460 0.003 0.000 0.271 323 C C 2.563 177.596 174.990 0.072 0.000 1.425 323 C CA 0.633 59.734 59.018 0.138 0.000 1.751 323 C CB -1.059 26.774 27.740 0.155 0.000 1.775 323 C HN 0.640 nan 8.230 nan 0.000 0.557 324 Q N 0.401 120.230 119.800 0.047 0.000 2.354 324 Q HA -0.007 4.335 4.340 0.003 0.000 0.203 324 Q C 1.801 177.714 176.000 -0.145 0.000 0.933 324 Q CA 0.989 56.778 55.803 -0.024 0.000 0.901 324 Q CB 0.208 28.942 28.738 -0.006 0.000 1.007 324 Q HN 0.643 nan 8.270 nan 0.000 0.495 325 K N -1.312 118.923 120.400 -0.275 0.000 2.362 325 K HA 0.131 4.452 4.320 0.003 0.000 0.203 325 K C 0.201 176.436 176.600 -0.607 0.000 1.198 325 K CA -0.043 55.869 56.287 -0.624 0.000 0.908 325 K CB 0.685 32.396 32.500 -1.316 0.000 1.236 325 K HN 0.036 nan 8.250 nan 0.000 0.487 326 W N 2.512 123.839 121.300 0.045 0.000 2.516 326 W HA 0.326 4.988 4.660 0.003 0.000 0.343 326 W C 0.568 177.130 176.519 0.071 0.000 1.094 326 W CA -0.851 56.537 57.345 0.072 0.000 1.250 326 W CB 1.236 30.814 29.460 0.198 0.000 1.308 326 W HN -0.025 nan 8.180 nan 0.000 0.588 327 S N 0.808 116.704 115.700 0.326 0.000 2.687 327 S HA 0.422 4.894 4.470 0.003 0.000 0.283 327 S C 0.935 175.649 174.600 0.189 0.000 1.170 327 S CA -0.645 57.673 58.200 0.197 0.000 1.008 327 S CB 2.036 65.328 63.200 0.154 0.000 1.026 327 S HN 0.472 nan 8.310 nan 0.000 0.541 328 R N 0.558 121.106 120.500 0.081 0.000 2.096 328 R HA -0.043 4.299 4.340 0.003 0.000 0.235 328 R C 2.527 178.898 176.300 0.118 0.000 1.127 328 R CA 1.357 57.457 56.100 -0.000 0.000 0.968 328 R CB -0.979 29.248 30.300 -0.122 0.000 0.861 328 R HN 0.808 nan 8.270 nan 0.000 0.440 329 A N 0.663 123.579 122.820 0.160 0.000 1.883 329 A HA -0.241 4.081 4.320 0.003 0.000 0.217 329 A C 1.992 179.749 177.584 0.289 0.000 1.186 329 A CA 1.362 53.512 52.037 0.187 0.000 0.624 329 A CB -0.780 18.302 19.000 0.137 0.000 0.822 329 A HN 0.426 nan 8.150 nan 0.000 0.444 330 Y N 0.396 120.793 120.300 0.161 0.000 2.145 330 Y HA -0.177 4.374 4.550 0.003 0.000 0.286 330 Y C 2.016 178.016 175.900 0.167 0.000 1.145 330 Y CA 1.670 59.879 58.100 0.180 0.000 1.148 330 Y CB -0.422 38.155 38.460 0.195 0.000 0.981 330 Y HN 0.262 nan 8.280 nan 0.000 0.507 331 I N -0.593 119.988 120.570 0.019 0.000 2.286 331 I HA -0.323 3.849 4.170 0.003 0.000 0.248 331 I C 2.452 178.510 176.117 -0.099 0.000 1.115 331 I CA 1.755 62.966 61.300 -0.147 0.000 1.392 331 I CB -0.552 37.409 38.000 -0.066 0.000 1.065 331 I HN 0.322 nan 8.210 nan 0.000 0.418 332 H N 0.159 119.198 119.070 -0.051 0.000 2.319 332 H HA -0.313 4.245 4.556 0.003 0.000 0.299 332 H C 2.365 177.679 175.328 -0.022 0.000 1.092 332 H CA 2.474 58.520 56.048 -0.004 0.000 1.302 332 H CB -0.207 29.613 29.762 0.097 0.000 1.373 332 H HN 0.423 nan 8.280 nan 0.000 0.497 333 H N -0.486 118.583 119.070 -0.003 0.000 2.319 333 H HA -0.110 4.448 4.556 0.003 0.000 0.299 333 H C 1.954 177.155 175.328 -0.212 0.000 1.092 333 H CA 1.921 57.923 56.048 -0.076 0.000 1.302 333 H CB -0.390 29.377 29.762 0.009 0.000 1.373 333 H HN 0.338 nan 8.280 nan 0.000 0.497 334 L N 0.329 121.249 121.223 -0.505 0.000 2.017 334 L HA -0.167 4.175 4.340 0.003 0.000 0.208 334 L C 2.406 179.036 176.870 -0.399 0.000 1.073 334 L CA 1.234 55.747 54.840 -0.546 0.000 0.745 334 L CB -0.854 40.886 42.059 -0.533 0.000 0.894 334 L HN 0.446 nan 8.230 nan 0.000 0.432 335 I N -0.784 119.592 120.570 -0.323 0.000 2.252 335 I HA -0.246 3.926 4.170 0.003 0.000 0.245 335 I C 2.539 178.502 176.117 -0.256 0.000 1.102 335 I CA 1.172 62.321 61.300 -0.252 0.000 1.385 335 I CB -0.990 36.886 38.000 -0.207 0.000 1.064 335 I HN 0.294 nan 8.210 nan 0.000 0.414 336 R N 0.639 120.946 120.500 -0.321 0.000 2.189 336 R HA -0.022 4.320 4.340 0.003 0.000 0.223 336 R C 1.997 178.162 176.300 -0.225 0.000 1.092 336 R CA 1.150 57.088 56.100 -0.270 0.000 0.989 336 R CB -0.169 29.937 30.300 -0.323 0.000 0.876 336 R HN 0.341 nan 8.270 nan 0.000 0.457 337 A N -0.188 122.455 122.820 -0.294 0.000 2.275 337 A HA 0.244 4.566 4.320 0.003 0.000 0.212 337 A C 1.334 178.801 177.584 -0.194 0.000 1.201 337 A CA 0.541 52.423 52.037 -0.257 0.000 0.843 337 A CB 0.007 18.767 19.000 -0.400 0.000 0.873 337 A HN 0.373 nan 8.150 nan 0.000 0.492 338 G N -0.185 108.504 108.800 -0.186 0.000 2.179 338 G HA2 -0.230 3.732 3.960 0.003 0.000 0.257 338 G HA3 -0.230 3.732 3.960 0.003 0.000 0.257 338 G C -0.159 174.659 174.900 -0.137 0.000 1.010 338 G CA 0.368 45.384 45.100 -0.141 0.000 0.736 338 G HN 0.484 nan 8.290 nan 0.000 0.513 339 E N -0.549 119.545 120.200 -0.177 0.000 2.338 339 E HA 0.331 4.683 4.350 0.003 0.000 0.272 339 E C 1.884 178.400 176.600 -0.141 0.000 1.029 339 E CA -0.545 55.761 56.400 -0.156 0.000 0.872 339 E CB 0.621 30.204 29.700 -0.196 0.000 1.015 339 E HN 0.318 nan 8.360 nan 0.000 0.417 340 I N 2.195 122.702 120.570 -0.105 0.000 2.264 340 I HA -0.299 3.873 4.170 0.003 0.000 0.248 340 I C 2.215 178.264 176.117 -0.113 0.000 1.111 340 I CA 0.670 61.915 61.300 -0.093 0.000 1.382 340 I CB -0.242 37.718 38.000 -0.066 0.000 1.060 340 I HN 0.396 nan 8.210 nan 0.000 0.418 341 L N 1.438 122.583 121.223 -0.130 0.000 2.187 341 L HA -0.115 4.227 4.340 0.003 0.000 0.213 341 L C 2.254 178.993 176.870 -0.219 0.000 1.100 341 L CA 1.994 56.734 54.840 -0.168 0.000 0.765 341 L CB -1.169 40.788 42.059 -0.171 0.000 0.904 341 L HN 0.193 nan 8.230 nan 0.000 0.437 342 G N -1.077 107.588 108.800 -0.224 0.000 2.433 342 G HA2 -0.256 3.706 3.960 0.003 0.000 0.216 342 G HA3 -0.256 3.706 3.960 0.003 0.000 0.216 342 G C 1.604 176.408 174.900 -0.160 0.000 1.186 342 G CA 0.803 45.764 45.100 -0.231 0.000 0.779 342 G HN 0.610 nan 8.290 nan 0.000 0.543 343 A N 0.457 123.202 122.820 -0.125 0.000 1.902 343 A HA 0.038 4.360 4.320 0.003 0.000 0.217 343 A C 2.480 180.023 177.584 -0.068 0.000 1.181 343 A CA 1.851 53.837 52.037 -0.085 0.000 0.623 343 A CB -0.373 18.584 19.000 -0.071 0.000 0.818 343 A HN 0.389 nan 8.150 nan 0.000 0.443 344 M N -1.101 118.450 119.600 -0.081 0.000 2.065 344 M HA -0.185 4.297 4.480 0.003 0.000 0.259 344 M C 2.014 178.286 176.300 -0.046 0.000 1.069 344 M CA 1.466 56.729 55.300 -0.061 0.000 1.110 344 M CB -0.511 32.041 32.600 -0.079 0.000 1.328 344 M HN 0.333 nan 8.290 nan 0.000 0.405 345 L N -0.381 120.782 121.223 -0.099 0.000 2.017 345 L HA -0.178 4.164 4.340 0.003 0.000 0.208 345 L C 2.486 179.377 176.870 0.035 0.000 1.073 345 L CA 1.799 56.603 54.840 -0.059 0.000 0.745 345 L CB -0.998 40.949 42.059 -0.186 0.000 0.894 345 L HN 0.357 nan 8.230 nan 0.000 0.432 346 M N -1.173 118.424 119.600 -0.004 0.000 2.108 346 M HA -0.176 4.305 4.480 0.003 0.000 0.261 346 M C 2.210 178.566 176.300 0.093 0.000 1.066 346 M CA 1.801 57.125 55.300 0.041 0.000 1.107 346 M CB -1.485 31.103 32.600 -0.019 0.000 1.356 346 M HN 0.266 nan 8.290 nan 0.000 0.406 347 T N -0.217 114.365 114.554 0.047 0.000 2.777 347 T HA -0.166 4.186 4.350 0.003 0.000 0.266 347 T C 1.755 176.495 174.700 0.067 0.000 1.040 347 T CA 1.562 63.690 62.100 0.046 0.000 1.141 347 T CB -0.185 68.691 68.868 0.013 0.000 0.868 347 T HN 0.481 nan 8.240 nan 0.000 0.444 348 E N 0.213 120.465 120.200 0.086 0.000 2.077 348 E HA -0.252 4.100 4.350 0.003 0.000 0.193 348 E C 2.098 178.781 176.600 0.138 0.000 0.989 348 E CA 1.307 57.774 56.400 0.111 0.000 0.800 348 E CB -0.126 29.654 29.700 0.132 0.000 0.746 348 E HN 0.654 nan 8.360 nan 0.000 0.452 349 H N 0.667 119.806 119.070 0.115 0.000 2.290 349 H HA -0.094 4.464 4.556 0.003 0.000 0.298 349 H C 1.863 177.300 175.328 0.181 0.000 1.087 349 H CA 2.399 58.533 56.048 0.143 0.000 1.291 349 H CB -0.164 29.662 29.762 0.107 0.000 1.369 349 H HN 0.143 nan 8.280 nan 0.000 0.492 350 N N 0.310 118.987 118.700 -0.039 0.000 2.120 350 N HA -0.128 4.614 4.740 0.003 0.000 0.188 350 N C 2.174 177.694 175.510 0.016 0.000 1.024 350 N CA 1.578 54.644 53.050 0.027 0.000 0.852 350 N CB -0.281 38.324 38.487 0.197 0.000 1.003 350 N HN 0.464 nan 8.380 nan 0.000 0.424 351 I N 0.783 121.349 120.570 -0.007 0.000 2.315 351 I HA -0.199 3.973 4.170 0.003 0.000 0.248 351 I C 2.200 178.356 176.117 0.064 0.000 1.117 351 I CA 0.822 62.126 61.300 0.007 0.000 1.404 351 I CB -0.257 37.769 38.000 0.043 0.000 1.071 351 I HN 0.067 nan 8.210 nan 0.000 0.419 352 A N 0.661 123.513 122.820 0.054 0.000 1.933 352 A HA -0.259 4.063 4.320 0.003 0.000 0.218 352 A C 2.224 179.835 177.584 0.045 0.000 1.175 352 A CA 1.381 53.461 52.037 0.071 0.000 0.628 352 A CB -0.935 18.125 19.000 0.100 0.000 0.814 352 A HN 0.458 nan 8.150 nan 0.000 0.444 353 F N -0.890 118.947 119.950 -0.190 0.000 2.102 353 F HA -0.185 4.344 4.527 0.003 0.000 0.298 353 F C 2.097 177.766 175.800 -0.217 0.000 1.105 353 F CA 1.767 59.623 58.000 -0.241 0.000 1.239 353 F CB -0.379 38.374 39.000 -0.412 0.000 0.991 353 F HN 0.286 nan 8.300 nan 0.000 0.474 354 Y N 0.794 120.920 120.300 -0.291 0.000 2.181 354 Y HA -0.247 4.306 4.550 0.005 0.000 0.288 354 Y C 2.594 178.277 175.900 -0.362 0.000 1.146 354 Y CA 1.787 59.584 58.100 -0.506 0.000 1.164 354 Y CB -0.739 37.251 38.460 -0.784 0.000 0.982 354 Y HN 0.134 nan 8.280 nan 0.000 0.515 355 Q N -0.132 119.654 119.800 -0.022 0.000 2.167 355 Q HA -0.181 4.161 4.340 0.003 0.000 0.202 355 Q C 2.120 178.092 176.000 -0.047 0.000 0.970 355 Q CA 1.254 57.066 55.803 0.015 0.000 0.855 355 Q CB -0.367 28.420 28.738 0.082 0.000 0.911 355 Q HN 0.615 nan 8.270 nan 0.000 0.438 356 Q N 0.073 119.829 119.800 -0.075 0.000 2.119 356 Q HA -0.112 4.230 4.340 0.003 0.000 0.201 356 Q C 2.050 178.019 176.000 -0.052 0.000 0.972 356 Q CA 0.753 56.549 55.803 -0.013 0.000 0.847 356 Q CB -0.090 28.717 28.738 0.116 0.000 0.903 356 Q HN 0.197 nan 8.270 nan 0.000 0.433 357 L N 0.071 121.171 121.223 -0.205 0.000 2.046 357 L HA -0.189 4.153 4.340 0.003 0.000 0.208 357 L C 1.912 178.652 176.870 -0.216 0.000 1.077 357 L CA 1.761 56.494 54.840 -0.178 0.000 0.747 357 L CB -0.354 41.361 42.059 -0.574 0.000 0.896 357 L HN 0.224 nan 8.230 nan 0.000 0.432 358 M N -0.968 118.507 119.600 -0.208 0.000 2.159 358 M HA -0.165 4.317 4.480 0.003 0.000 0.263 358 M C 2.324 178.538 176.300 -0.143 0.000 1.063 358 M CA 1.554 56.764 55.300 -0.150 0.000 1.110 358 M CB -1.434 31.136 32.600 -0.049 0.000 1.374 358 M HN 0.412 nan 8.290 nan 0.000 0.411 359 Q N 1.015 120.740 119.800 -0.124 0.000 2.079 359 Q HA -0.097 4.245 4.340 0.003 0.000 0.200 359 Q C 1.874 177.747 176.000 -0.211 0.000 0.974 359 Q CA 1.789 57.516 55.803 -0.126 0.000 0.840 359 Q CB -0.104 28.584 28.738 -0.085 0.000 0.898 359 Q HN 0.454 nan 8.270 nan 0.000 0.430 360 K N -0.384 119.842 120.400 -0.291 0.000 2.147 360 K HA -0.071 4.251 4.320 0.003 0.000 0.205 360 K C 2.031 178.226 176.600 -0.675 0.000 1.049 360 K CA 1.297 57.267 56.287 -0.528 0.000 0.936 360 K CB -0.113 31.970 32.500 -0.695 0.000 0.722 360 K HN 0.275 nan 8.250 nan 0.000 0.446 361 I N 0.674 120.952 120.570 -0.487 0.000 2.233 361 I HA -0.251 3.921 4.170 0.003 0.000 0.243 361 I C 2.341 178.281 176.117 -0.295 0.000 1.093 361 I CA 1.153 62.254 61.300 -0.332 0.000 1.380 361 I CB -0.121 37.764 38.000 -0.191 0.000 1.067 361 I HN 0.119 nan 8.210 nan 0.000 0.413 362 R N 0.595 120.956 120.500 -0.231 0.000 2.081 362 R HA -0.160 4.182 4.340 0.003 0.000 0.235 362 R C 1.893 178.095 176.300 -0.165 0.000 1.131 362 R CA 1.577 57.570 56.100 -0.178 0.000 0.960 362 R CB -0.435 29.795 30.300 -0.117 0.000 0.856 362 R HN 0.356 nan 8.270 nan 0.000 0.436 363 D N 0.402 120.697 120.400 -0.175 0.000 2.117 363 D HA -0.131 4.511 4.640 0.003 0.000 0.197 363 D C 2.070 178.294 176.300 -0.127 0.000 0.987 363 D CA 1.900 55.813 54.000 -0.145 0.000 0.829 363 D CB -0.297 40.409 40.800 -0.157 0.000 0.961 363 D HN 0.220 nan 8.370 nan 0.000 0.460 364 S N 0.232 115.838 115.700 -0.157 0.000 2.399 364 S HA -0.089 4.383 4.470 0.003 0.000 0.231 364 S C 2.222 176.837 174.600 0.026 0.000 1.022 364 S CA 0.488 58.661 58.200 -0.045 0.000 0.983 364 S CB -0.523 62.680 63.200 0.005 0.000 0.803 364 S HN 0.249 nan 8.310 nan 0.000 0.480 365 I N 1.644 122.178 120.570 -0.059 0.000 2.353 365 I HA -0.078 4.094 4.170 0.003 0.000 0.248 365 I C 2.379 178.464 176.117 -0.053 0.000 1.119 365 I CA 0.956 62.210 61.300 -0.077 0.000 1.417 365 I CB -0.386 37.470 38.000 -0.240 0.000 1.078 365 I HN 0.289 nan 8.210 nan 0.000 0.421 366 S N 0.178 115.836 115.700 -0.070 0.000 2.474 366 S HA -0.127 4.345 4.470 0.003 0.000 0.235 366 S C 1.480 176.059 174.600 -0.035 0.000 0.997 366 S CA 1.054 59.221 58.200 -0.056 0.000 0.949 366 S CB -0.220 62.941 63.200 -0.064 0.000 0.766 366 S HN 0.475 nan 8.310 nan 0.000 0.517 367 E N -0.223 119.963 120.200 -0.023 0.000 2.498 367 E HA 0.270 4.622 4.350 0.003 0.000 0.203 367 E C 0.953 177.560 176.600 0.013 0.000 1.013 367 E CA 0.077 56.472 56.400 -0.009 0.000 0.927 367 E CB 0.545 30.237 29.700 -0.013 0.000 1.012 367 E HN 0.426 nan 8.360 nan 0.000 0.482 368 G N 3.039 111.855 108.800 0.027 0.000 2.198 368 G HA2 -0.349 3.613 3.960 0.003 0.000 0.260 368 G HA3 -0.349 3.613 3.960 0.003 0.000 0.260 368 G C 0.622 175.565 174.900 0.072 0.000 1.025 368 G CA 0.773 45.902 45.100 0.049 0.000 0.769 368 G HN 0.407 nan 8.290 nan 0.000 0.507 369 R N -1.359 119.199 120.500 0.096 0.000 2.659 369 R HA 0.458 4.800 4.340 0.003 0.000 0.418 369 R C 1.410 177.821 176.300 0.184 0.000 1.076 369 R CA -0.092 56.072 56.100 0.107 0.000 1.093 369 R CB -0.158 30.187 30.300 0.074 0.000 1.400 369 R HN 0.236 nan 8.270 nan 0.000 0.583 370 F N 2.146 122.128 119.950 0.053 0.000 2.102 370 F HA -0.166 4.363 4.527 0.004 0.000 0.298 370 F C 2.341 178.222 175.800 0.135 0.000 1.105 370 F CA 1.792 59.852 58.000 0.100 0.000 1.239 370 F CB -0.347 38.684 39.000 0.051 0.000 0.991 370 F HN 0.178 nan 8.300 nan 0.000 0.474 371 S N -0.244 115.422 115.700 -0.057 0.000 2.359 371 S HA -0.355 4.117 4.470 0.003 0.000 0.223 371 S C 2.157 176.673 174.600 -0.139 0.000 1.039 371 S CA 1.905 59.995 58.200 -0.183 0.000 1.042 371 S CB -0.693 62.476 63.200 -0.051 0.000 0.915 371 S HN 0.614 nan 8.310 nan 0.000 0.439 372 Q N -0.017 119.766 119.800 -0.028 0.000 2.084 372 Q HA -0.057 4.285 4.340 0.003 0.000 0.202 372 Q C 1.795 177.795 176.000 -0.000 0.000 0.978 372 Q CA 2.021 57.819 55.803 -0.007 0.000 0.844 372 Q CB -0.852 27.904 28.738 0.030 0.000 0.898 372 Q HN 0.678 nan 8.270 nan 0.000 0.426 373 F N 0.464 120.374 119.950 -0.067 0.000 2.069 373 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 373 F C 1.934 177.714 175.800 -0.032 0.000 1.113 373 F CA 1.846 59.825 58.000 -0.036 0.000 1.214 373 F CB -0.937 38.063 39.000 -0.001 0.000 0.978 373 F HN 0.130 nan 8.300 nan 0.000 0.474 374 A N -0.035 122.562 122.820 -0.371 0.000 1.917 374 A HA -0.319 4.003 4.320 0.003 0.000 0.219 374 A C 2.300 179.753 177.584 -0.219 0.000 1.182 374 A CA 2.094 53.884 52.037 -0.412 0.000 0.633 374 A CB -1.154 17.523 19.000 -0.538 0.000 0.819 374 A HN 0.679 nan 8.150 nan 0.000 0.448 375 Q N -0.773 118.920 119.800 -0.179 0.000 2.049 375 Q HA -0.187 4.155 4.340 0.003 0.000 0.198 375 Q C 1.300 177.249 176.000 -0.084 0.000 0.971 375 Q CA 1.578 57.325 55.803 -0.094 0.000 0.833 375 Q CB -0.123 28.572 28.738 -0.071 0.000 0.896 375 Q HN 0.618 nan 8.270 nan 0.000 0.434 376 D N -0.039 120.294 120.400 -0.112 0.000 2.178 376 D HA -0.146 4.496 4.640 0.003 0.000 0.202 376 D C 1.583 177.821 176.300 -0.103 0.000 0.974 376 D CA 0.724 54.674 54.000 -0.083 0.000 0.841 376 D CB -0.245 40.525 40.800 -0.050 0.000 0.953 376 D HN 0.263 nan 8.370 nan 0.000 0.478 377 F N 2.286 121.996 119.950 -0.401 0.000 2.075 377 F HA -0.111 4.416 4.527 0.001 0.000 0.297 377 F C 2.275 178.021 175.800 -0.090 0.000 1.113 377 F CA 1.393 59.181 58.000 -0.354 0.000 1.218 377 F CB -0.096 38.455 39.000 -0.748 0.000 0.984 377 F HN -0.235 nan 8.300 nan 0.000 0.472 378 R N 0.356 120.694 120.500 -0.269 0.000 2.096 378 R HA -0.090 4.252 4.340 0.003 0.000 0.235 378 R C 2.472 178.783 176.300 0.018 0.000 1.127 378 R CA 1.130 57.167 56.100 -0.105 0.000 0.968 378 R CB -0.933 29.471 30.300 0.174 0.000 0.861 378 R HN 0.425 nan 8.270 nan 0.000 0.440 379 A N 1.235 124.045 122.820 -0.015 0.000 1.883 379 A HA -0.173 4.149 4.320 0.003 0.000 0.217 379 A C 2.177 179.757 177.584 -0.007 0.000 1.186 379 A CA 1.175 53.221 52.037 0.014 0.000 0.624 379 A CB -0.372 18.627 19.000 -0.001 0.000 0.822 379 A HN 0.127 nan 8.150 nan 0.000 0.444 380 R N -2.331 118.138 120.500 -0.052 0.000 2.062 380 R HA -0.072 4.270 4.340 0.003 0.000 0.226 380 R C 2.073 178.314 176.300 -0.097 0.000 1.125 380 R CA 1.458 57.539 56.100 -0.032 0.000 0.966 380 R CB -0.562 29.756 30.300 0.030 0.000 0.861 380 R HN 0.623 nan 8.270 nan 0.000 0.433 381 Y N -0.043 119.997 120.300 -0.434 0.000 2.256 381 Y HA -0.201 4.350 4.550 0.002 0.000 0.288 381 Y C 1.052 176.524 175.900 -0.712 0.000 1.155 381 Y CA 1.643 59.327 58.100 -0.694 0.000 1.203 381 Y CB -0.017 37.594 38.460 -1.416 0.000 0.980 381 Y HN -0.027 nan 8.280 nan 0.000 0.530 382 F N -0.931 118.947 119.950 -0.120 0.000 2.653 382 F HA 0.441 4.969 4.527 0.001 0.000 0.304 382 F C 1.300 177.047 175.800 -0.089 0.000 1.092 382 F CA -0.227 57.705 58.000 -0.114 0.000 1.279 382 F CB -0.853 38.122 39.000 -0.041 0.000 1.044 382 F HN -0.027 nan 8.300 nan 0.000 0.564 383 A N 0.000 122.838 122.820 0.031 0.000 2.254 383 A HA 0.000 4.322 4.320 0.003 0.000 0.244 383 A CA 0.000 52.050 52.037 0.021 0.000 0.836 383 A CB 0.000 19.002 19.000 0.004 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486