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 1cfj_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.645 174.600 0.075 0.000 1.055 4 S CA 0.000 58.229 58.200 0.049 0.000 1.107 4 S CB 0.000 63.229 63.200 0.049 0.000 0.593 5 E N 2.742 122.992 120.200 0.083 0.000 2.268 5 E HA 0.042 4.392 4.350 -0.001 0.000 0.195 5 E C 0.926 177.654 176.600 0.214 0.000 0.995 5 E CA 1.021 57.497 56.400 0.126 0.000 0.836 5 E CB -0.027 29.735 29.700 0.102 0.000 0.763 5 E HN 0.716 nan 8.360 nan 0.000 0.491 6 L N 0.983 122.303 121.223 0.161 0.000 2.628 6 L HA 0.222 4.562 4.340 -0.001 0.000 0.229 6 L C -0.000 177.054 176.870 0.308 0.000 1.137 6 L CA -0.398 54.542 54.840 0.165 0.000 0.909 6 L CB 0.424 42.477 42.059 -0.011 0.000 1.137 6 L HN 0.148 nan 8.230 nan 0.000 0.470 7 L N 0.693 122.064 121.223 0.248 0.000 2.325 7 L HA 0.620 4.960 4.340 -0.001 0.000 0.281 7 L C -0.734 176.199 176.870 0.105 0.000 1.004 7 L CA -0.360 54.602 54.840 0.204 0.000 0.823 7 L CB 1.726 43.854 42.059 0.114 0.000 1.236 7 L HN -0.305 nan 8.230 nan 0.000 0.415 8 V N 4.247 124.180 119.914 0.033 0.000 2.789 8 V HA 0.539 4.658 4.120 -0.001 0.000 0.311 8 V C -0.783 175.199 176.094 -0.186 0.000 1.073 8 V CA -0.768 61.376 62.300 -0.259 0.000 0.921 8 V CB 2.104 33.385 31.823 -0.904 0.000 1.009 8 V HN 0.795 nan 8.190 nan 0.000 0.426 9 N N 2.403 120.941 118.700 -0.270 0.000 2.417 9 N HA 0.633 5.373 4.740 -0.001 0.000 0.274 9 N C -0.316 174.861 175.510 -0.554 0.000 0.987 9 N CA -0.135 52.743 53.050 -0.287 0.000 0.912 9 N CB 1.721 40.050 38.487 -0.263 0.000 1.177 9 N HN 0.941 nan 8.380 nan 0.000 0.490 10 T N -0.167 114.152 114.554 -0.392 0.000 2.905 10 T HA 0.407 4.757 4.350 -0.001 0.000 0.283 10 T C 0.952 175.388 174.700 -0.440 0.000 1.031 10 T CA -0.602 61.226 62.100 -0.453 0.000 1.002 10 T CB 1.127 69.997 68.868 0.003 0.000 1.200 10 T HN 0.361 nan 8.240 nan 0.000 0.560 11 K N 0.155 120.347 120.400 -0.347 0.000 2.442 11 K HA 0.050 4.370 4.320 -0.001 0.000 0.198 11 K C 1.631 178.072 176.600 -0.263 0.000 1.042 11 K CA 0.813 56.942 56.287 -0.263 0.000 0.958 11 K CB -0.046 32.357 32.500 -0.162 0.000 0.766 11 K HN 0.408 nan 8.250 nan 0.000 0.474 12 S N -0.368 115.148 115.700 -0.308 0.000 2.539 12 S HA 0.240 4.710 4.470 -0.001 0.000 0.221 12 S C 0.295 174.158 174.600 -1.229 0.000 0.987 12 S CA 0.124 58.017 58.200 -0.512 0.000 0.929 12 S CB 1.212 64.295 63.200 -0.196 0.000 0.832 12 S HN 0.536 nan 8.310 nan 0.000 0.492 13 G N 1.300 109.596 108.800 -0.839 0.000 2.361 13 G HA2 0.091 4.050 3.960 -0.001 0.000 0.331 13 G HA3 0.091 4.050 3.960 -0.001 0.000 0.331 13 G C -1.887 172.931 174.900 -0.136 0.000 1.324 13 G CA -1.138 43.461 45.100 -0.835 0.000 0.984 13 G HN 0.077 nan 8.290 nan 0.000 0.586 14 K N -0.442 120.076 120.400 0.196 0.000 2.205 14 K HA 0.621 4.941 4.320 -0.001 0.000 0.279 14 K C -0.571 176.386 176.600 0.595 0.000 1.027 14 K CA -0.572 55.893 56.287 0.297 0.000 0.932 14 K CB 2.267 34.890 32.500 0.205 0.000 1.032 14 K HN 0.323 nan 8.250 nan 0.000 0.466 15 V N 3.608 123.802 119.914 0.466 0.000 2.680 15 V HA 0.374 4.494 4.120 -0.001 0.000 0.309 15 V C -0.839 175.549 176.094 0.491 0.000 1.052 15 V CA -0.920 61.722 62.300 0.569 0.000 0.908 15 V CB 1.860 34.064 31.823 0.636 0.000 1.001 15 V HN 0.755 nan 8.190 nan 0.000 0.431 16 M N 4.510 124.376 119.600 0.443 0.000 2.134 16 M HA 0.739 5.219 4.480 -0.001 0.000 0.310 16 M C 0.159 176.564 176.300 0.175 0.000 0.966 16 M CA 0.088 55.569 55.300 0.303 0.000 0.922 16 M CB 1.218 33.913 32.600 0.159 0.000 1.537 16 M HN 0.692 nan 8.290 nan 0.000 0.424 17 G N 1.588 110.359 108.800 -0.047 0.000 2.494 17 G HA2 0.588 4.548 3.960 -0.001 0.000 0.270 17 G HA3 0.588 4.548 3.960 -0.001 0.000 0.270 17 G C -0.986 173.707 174.900 -0.344 0.000 1.423 17 G CA -0.279 44.471 45.100 -0.583 0.000 1.055 17 G HN 0.686 nan 8.290 nan 0.000 0.536 18 T N -1.675 112.638 114.554 -0.403 0.000 2.923 18 T HA 0.505 4.854 4.350 -0.001 0.000 0.311 18 T C -0.693 173.889 174.700 -0.196 0.000 1.183 18 T CA -0.681 61.281 62.100 -0.231 0.000 1.020 18 T CB 1.549 70.306 68.868 -0.186 0.000 1.165 18 T HN 0.607 nan 8.240 nan 0.000 0.482 19 R N 2.354 122.788 120.500 -0.109 0.000 2.390 19 R HA 0.671 5.010 4.340 -0.001 0.000 0.291 19 R C -0.591 175.706 176.300 -0.006 0.000 1.070 19 R CA -0.439 55.634 56.100 -0.046 0.000 1.014 19 R CB 0.566 30.843 30.300 -0.039 0.000 1.007 19 R HN 0.537 nan 8.270 nan 0.000 0.466 20 V N 2.371 122.312 119.914 0.044 0.000 2.709 20 V HA 0.671 4.791 4.120 -0.001 0.000 0.308 20 V C -2.603 173.516 176.094 0.042 0.000 1.062 20 V CA -2.554 59.770 62.300 0.040 0.000 0.901 20 V CB 1.782 33.626 31.823 0.035 0.000 1.003 20 V HN 0.803 nan 8.190 nan 0.000 0.425 21 P HA 0.453 nan 4.420 nan 0.000 0.279 21 P C -0.882 176.281 177.300 -0.229 0.000 1.239 21 P CA -0.167 62.811 63.100 -0.204 0.000 0.789 21 P CB 2.045 33.654 31.700 -0.152 0.000 0.933 22 V N 5.357 125.060 119.914 -0.351 0.000 2.697 22 V HA 0.181 4.301 4.120 -0.001 0.000 0.296 22 V C -0.206 175.635 176.094 -0.422 0.000 1.140 22 V CA -0.830 61.268 62.300 -0.337 0.000 0.921 22 V CB 0.806 32.391 31.823 -0.396 0.000 1.036 22 V HN 0.511 nan 8.190 nan 0.000 0.438 23 L N 6.544 127.655 121.223 -0.187 0.000 3.795 23 L HA -0.245 4.095 4.340 -0.001 0.000 0.489 23 L C 1.200 177.950 176.870 -0.200 0.000 1.259 23 L CA 1.162 55.915 54.840 -0.144 0.000 0.765 23 L CB -1.677 40.344 42.059 -0.064 0.000 1.519 23 L HN 1.849 nan 8.230 nan 0.000 0.842 24 S N -3.370 112.216 115.700 -0.190 0.000 2.769 24 S HA -0.281 4.188 4.470 -0.001 0.000 0.264 24 S C 0.433 174.874 174.600 -0.265 0.000 1.288 24 S CA 1.633 59.731 58.200 -0.169 0.000 1.378 24 S CB -0.866 62.289 63.200 -0.074 0.000 1.702 24 S HN 1.109 nan 8.310 nan 0.000 0.656 25 S N 0.176 115.623 115.700 -0.422 0.000 2.855 25 S HA 0.861 5.331 4.470 -0.001 0.000 0.308 25 S C -0.910 173.219 174.600 -0.785 0.000 1.077 25 S CA -0.095 57.829 58.200 -0.461 0.000 0.896 25 S CB 1.113 64.167 63.200 -0.243 0.000 1.339 25 S HN 0.790 nan 8.310 nan 0.000 0.602 26 H N -0.268 118.733 119.070 -0.115 0.000 3.012 26 H HA 0.713 5.269 4.556 -0.001 0.000 0.367 26 H C -0.439 174.902 175.328 0.023 0.000 1.211 26 H CA -0.456 55.555 56.048 -0.062 0.000 1.139 26 H CB 1.209 30.960 29.762 -0.019 0.000 1.838 26 H HN 0.763 nan 8.280 nan 0.000 0.550 27 I N -2.254 118.420 120.570 0.174 0.000 3.354 27 I HA 0.765 4.935 4.170 -0.001 0.000 0.316 27 I C -1.002 175.210 176.117 0.158 0.000 1.182 27 I CA -1.088 60.335 61.300 0.204 0.000 0.942 27 I CB 2.514 40.669 38.000 0.259 0.000 1.299 27 I HN 0.454 nan 8.210 nan 0.000 0.473 28 S N 1.207 117.011 115.700 0.173 0.000 2.617 28 S HA 0.854 5.324 4.470 -0.001 0.000 0.283 28 S C -0.301 174.291 174.600 -0.012 0.000 1.189 28 S CA -0.522 57.708 58.200 0.050 0.000 1.036 28 S CB 1.534 64.826 63.200 0.153 0.000 1.014 28 S HN 0.915 nan 8.310 nan 0.000 0.522 29 A N 1.621 124.245 122.820 -0.326 0.000 2.408 29 A HA 0.725 5.045 4.320 -0.001 0.000 0.295 29 A C -1.460 175.745 177.584 -0.631 0.000 1.040 29 A CA -0.662 51.106 52.037 -0.447 0.000 0.707 29 A CB 0.523 19.240 19.000 -0.472 0.000 1.235 29 A HN 0.628 nan 8.150 nan 0.000 0.418 30 F N 3.086 122.906 119.950 -0.216 0.000 2.311 30 F HA 0.437 4.963 4.527 -0.001 0.000 0.371 30 F C 0.008 175.701 175.800 -0.178 0.000 1.083 30 F CA -0.395 57.567 58.000 -0.063 0.000 1.113 30 F CB 1.091 40.178 39.000 0.145 0.000 1.349 30 F HN 0.371 nan 8.300 nan 0.000 0.470 31 L N 2.239 123.405 121.223 -0.094 0.000 2.334 31 L HA 0.568 4.907 4.340 -0.001 0.000 0.277 31 L C 1.118 178.026 176.870 0.063 0.000 1.075 31 L CA -0.785 54.001 54.840 -0.091 0.000 0.804 31 L CB 1.216 43.131 42.059 -0.241 0.000 1.174 31 L HN 0.843 nan 8.230 nan 0.000 0.438 32 G N 3.368 112.233 108.800 0.108 0.000 2.295 32 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.287 32 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.287 32 G C 0.002 174.990 174.900 0.146 0.000 1.055 32 G CA -0.233 44.942 45.100 0.126 0.000 0.922 32 G HN 0.504 nan 8.290 nan 0.000 0.503 33 I N 2.104 122.677 120.570 0.004 0.000 2.471 33 I HA 0.194 4.364 4.170 -0.001 0.000 0.286 33 I C -1.352 174.541 176.117 -0.373 0.000 1.079 33 I CA -1.890 59.236 61.300 -0.290 0.000 1.398 33 I CB 1.039 38.895 38.000 -0.239 0.000 1.403 33 I HN 0.022 nan 8.210 nan 0.000 0.530 34 P HA 0.094 nan 4.420 nan 0.000 0.281 34 P C -0.359 176.540 177.300 -0.669 0.000 1.252 34 P CA -0.118 62.472 63.100 -0.850 0.000 0.778 34 P CB 0.760 31.895 31.700 -0.942 0.000 0.895 35 F N 0.874 120.483 119.950 -0.568 0.000 2.706 35 F HA 0.728 5.255 4.527 -0.001 0.000 0.313 35 F C 0.007 175.699 175.800 -0.181 0.000 1.096 35 F CA -0.994 56.741 58.000 -0.441 0.000 1.219 35 F CB 0.027 38.727 39.000 -0.500 0.000 1.051 35 F HN 0.322 nan 8.300 nan 0.000 0.568 36 A N 0.050 122.497 122.820 -0.621 0.000 2.556 36 A HA 0.627 4.946 4.320 -0.001 0.000 0.294 36 A C -0.833 176.568 177.584 -0.304 0.000 1.091 36 A CA -0.720 51.127 52.037 -0.318 0.000 0.704 36 A CB 1.064 19.870 19.000 -0.322 0.000 1.300 36 A HN 0.029 nan 8.150 nan 0.000 0.406 37 E N 1.226 121.344 120.200 -0.138 0.000 2.384 37 E HA 0.231 4.580 4.350 -0.001 0.000 0.266 37 E C -2.313 174.204 176.600 -0.138 0.000 1.012 37 E CA -1.493 54.848 56.400 -0.098 0.000 0.901 37 E CB 0.093 29.775 29.700 -0.031 0.000 0.967 37 E HN 0.218 nan 8.360 nan 0.000 0.435 38 P HA -0.010 nan 4.420 nan 0.000 0.258 38 P C -2.219 175.032 177.300 -0.082 0.000 1.187 38 P CA -0.596 62.441 63.100 -0.106 0.000 0.767 38 P CB -0.014 31.664 31.700 -0.037 0.000 0.770 39 P HA -0.009 nan 4.420 nan 0.000 0.235 39 P C -0.258 176.991 177.300 -0.086 0.000 1.765 39 P CA 0.225 63.279 63.100 -0.077 0.000 1.034 39 P CB -0.105 31.552 31.700 -0.072 0.000 1.984 40 V N -1.699 118.172 119.914 -0.071 0.000 3.177 40 V HA 0.893 5.013 4.120 -0.001 0.000 0.319 40 V C 1.024 177.079 176.094 -0.065 0.000 1.125 40 V CA 0.073 62.329 62.300 -0.073 0.000 1.029 40 V CB 0.734 32.525 31.823 -0.055 0.000 1.119 40 V HN 0.570 nan 8.190 nan 0.000 0.452 41 G N 1.630 110.390 108.800 -0.067 0.000 2.622 41 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.307 41 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.307 41 G C 0.634 175.496 174.900 -0.063 0.000 1.226 41 G CA 0.866 45.934 45.100 -0.054 0.000 0.997 41 G HN 1.041 nan 8.290 nan 0.000 0.551 42 N N 0.541 119.223 118.700 -0.030 0.000 2.550 42 N HA 0.049 4.789 4.740 -0.001 0.000 0.186 42 N C 2.184 177.685 175.510 -0.015 0.000 1.110 42 N CA 1.135 54.179 53.050 -0.010 0.000 0.912 42 N CB -0.105 38.394 38.487 0.019 0.000 0.968 42 N HN 0.548 nan 8.380 nan 0.000 0.448 43 M N 0.075 119.653 119.600 -0.035 0.000 2.561 43 M HA 0.030 4.510 4.480 -0.001 0.000 0.238 43 M C 0.733 176.987 176.300 -0.076 0.000 1.131 43 M CA 0.010 55.289 55.300 -0.034 0.000 1.046 43 M CB 0.307 32.889 32.600 -0.029 0.000 1.532 43 M HN -0.055 nan 8.290 nan 0.000 0.497 44 R N 0.577 120.979 120.500 -0.164 0.000 2.522 44 R HA -0.052 4.288 4.340 -0.001 0.000 0.284 44 R C -0.400 175.669 176.300 -0.386 0.000 1.032 44 R CA 0.606 56.473 56.100 -0.387 0.000 1.049 44 R CB 0.172 30.114 30.300 -0.597 0.000 0.956 44 R HN 0.256 nan 8.270 nan 0.000 0.422 45 F N -0.834 119.113 119.950 -0.006 0.000 2.590 45 F HA -0.300 4.226 4.527 -0.001 0.000 0.471 45 F C 0.765 176.544 175.800 -0.035 0.000 0.551 45 F CA 1.235 59.208 58.000 -0.045 0.000 1.228 45 F CB -1.517 37.445 39.000 -0.064 0.000 1.862 45 F HN 0.642 nan 8.300 nan 0.000 0.271 46 R N 1.353 121.919 120.500 0.109 0.000 2.577 46 R HA 0.513 4.852 4.340 -0.001 0.000 0.269 46 R C 0.563 176.889 176.300 0.044 0.000 1.084 46 R CA -0.584 55.560 56.100 0.072 0.000 1.163 46 R CB 0.642 30.971 30.300 0.049 0.000 1.100 46 R HN 0.102 nan 8.270 nan 0.000 0.547 47 R N 1.743 122.269 120.500 0.043 0.000 2.756 47 R HA 0.076 4.416 4.340 -0.001 0.000 0.264 47 R C -1.937 174.386 176.300 0.037 0.000 1.026 47 R CA -0.776 55.349 56.100 0.041 0.000 1.121 47 R CB -0.020 30.310 30.300 0.049 0.000 0.999 47 R HN 0.481 nan 8.270 nan 0.000 0.449 48 P HA 0.080 nan 4.420 nan 0.000 0.277 48 P C -1.009 176.322 177.300 0.052 0.000 1.240 48 P CA -0.044 63.085 63.100 0.048 0.000 0.798 48 P CB 0.954 32.707 31.700 0.089 0.000 0.979 49 E N 1.754 121.974 120.200 0.033 0.000 2.221 49 E HA 0.451 4.800 4.350 -0.001 0.000 0.268 49 E C -2.422 174.208 176.600 0.050 0.000 0.933 49 E CA -2.593 53.832 56.400 0.041 0.000 0.809 49 E CB 0.271 29.987 29.700 0.027 0.000 1.190 49 E HN 0.279 nan 8.360 nan 0.000 0.406 50 P HA 0.013 nan 4.420 nan 0.000 0.268 50 P C -0.310 177.038 177.300 0.080 0.000 1.204 50 P CA -0.169 62.993 63.100 0.103 0.000 0.768 50 P CB 0.415 32.179 31.700 0.107 0.000 0.842 51 K N 3.992 124.444 120.400 0.086 0.000 2.447 51 K HA 0.013 4.333 4.320 -0.001 0.000 0.281 51 K C -0.230 176.453 176.600 0.139 0.000 1.031 51 K CA 0.489 56.824 56.287 0.081 0.000 1.019 51 K CB -0.152 32.390 32.500 0.069 0.000 0.918 51 K HN 0.237 nan 8.250 nan 0.000 0.476 52 K N 6.150 126.631 120.400 0.136 0.000 2.401 52 K HA 0.120 4.440 4.320 -0.001 0.000 0.278 52 K C -2.169 174.533 176.600 0.170 0.000 1.018 52 K CA -1.555 54.807 56.287 0.127 0.000 0.981 52 K CB 0.237 32.809 32.500 0.120 0.000 0.933 52 K HN 0.514 nan 8.250 nan 0.000 0.477 53 P HA -0.067 nan 4.420 nan 0.000 0.267 53 P C -1.270 176.028 177.300 -0.002 0.000 1.200 53 P CA 0.019 63.030 63.100 -0.148 0.000 0.772 53 P CB 0.289 31.883 31.700 -0.176 0.000 0.855 54 W N 0.720 122.099 121.300 0.132 0.000 2.882 54 W HA 0.718 5.377 4.660 -0.001 0.000 0.345 54 W C -1.076 175.519 176.519 0.127 0.000 1.125 54 W CA -0.804 56.634 57.345 0.155 0.000 1.167 54 W CB 0.063 29.682 29.460 0.265 0.000 1.431 54 W HN 0.155 nan 8.180 nan 0.000 0.543 55 S N 1.335 117.226 115.700 0.318 0.000 2.672 55 S HA 0.829 5.299 4.470 -0.001 0.000 0.276 55 S C 0.403 175.202 174.600 0.332 0.000 1.207 55 S CA 0.196 58.525 58.200 0.214 0.000 1.002 55 S CB 0.904 64.185 63.200 0.135 0.000 0.998 55 S HN 1.650 nan 8.310 nan 0.000 0.542 56 G N -0.354 108.581 108.800 0.225 0.000 2.760 56 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.246 56 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.246 56 G C -1.038 174.053 174.900 0.318 0.000 1.359 56 G CA -0.536 44.692 45.100 0.213 0.000 0.861 56 G HN 1.032 nan 8.290 nan 0.000 0.541 57 V N 0.951 120.999 119.914 0.224 0.000 2.398 57 V HA 0.507 4.627 4.120 -0.001 0.000 0.286 57 V C 0.335 176.538 176.094 0.182 0.000 1.026 57 V CA -0.581 61.873 62.300 0.256 0.000 0.868 57 V CB 1.754 33.669 31.823 0.153 0.000 0.982 57 V HN 0.717 nan 8.190 nan 0.000 0.443 58 W N 5.502 126.864 121.300 0.103 0.000 2.311 58 W HA 0.221 4.881 4.660 -0.001 0.000 0.310 58 W C 0.277 176.776 176.519 -0.033 0.000 1.274 58 W CA -0.433 56.822 57.345 -0.149 0.000 1.215 58 W CB 0.878 30.076 29.460 -0.435 0.000 1.227 58 W HN 0.611 nan 8.180 nan 0.000 0.523 59 N N 4.539 123.026 118.700 -0.354 0.000 2.405 59 N HA 0.168 4.907 4.740 -0.001 0.000 0.260 59 N C -0.547 175.008 175.510 0.076 0.000 1.152 59 N CA 0.311 53.278 53.050 -0.137 0.000 0.948 59 N CB 0.933 39.271 38.487 -0.247 0.000 1.111 59 N HN 0.400 nan 8.380 nan 0.000 0.485 60 A N 2.854 125.798 122.820 0.207 0.000 3.154 60 A HA 0.198 4.518 4.320 -0.001 0.000 0.310 60 A C 1.009 178.604 177.584 0.019 0.000 1.093 60 A CA -0.435 51.743 52.037 0.235 0.000 1.006 60 A CB -0.373 18.859 19.000 0.387 0.000 1.084 60 A HN 0.642 nan 8.150 nan 0.000 0.549 61 S N -0.964 114.710 115.700 -0.044 0.000 2.512 61 S HA 0.154 4.623 4.470 -0.001 0.000 0.216 61 S C 0.820 175.329 174.600 -0.151 0.000 1.006 61 S CA 0.701 58.827 58.200 -0.123 0.000 0.915 61 S CB -0.200 62.935 63.200 -0.108 0.000 0.824 61 S HN 0.807 nan 8.310 nan 0.000 0.497 62 T N -0.968 113.516 114.554 -0.116 0.000 2.916 62 T HA 0.663 5.012 4.350 -0.001 0.000 0.292 62 T C -0.834 173.831 174.700 -0.059 0.000 1.055 62 T CA -0.752 61.273 62.100 -0.123 0.000 1.009 62 T CB 0.712 69.533 68.868 -0.077 0.000 1.118 62 T HN 0.072 nan 8.240 nan 0.000 0.497 63 Y N 2.541 122.813 120.300 -0.047 0.000 2.457 63 Y HA 0.363 4.912 4.550 -0.001 0.000 0.341 63 Y C -1.374 174.469 175.900 -0.095 0.000 1.240 63 Y CA -1.410 56.665 58.100 -0.042 0.000 1.437 63 Y CB 0.163 38.619 38.460 -0.006 0.000 1.328 63 Y HN 0.553 nan 8.280 nan 0.000 0.588 64 P HA 0.131 nan 4.420 nan 0.000 0.297 64 P C -0.741 176.490 177.300 -0.115 0.000 1.307 64 P CA -0.564 62.429 63.100 -0.178 0.000 0.773 64 P CB 0.967 32.461 31.700 -0.344 0.000 1.265 65 N N 0.127 118.724 118.700 -0.171 0.000 2.371 65 N HA 0.094 4.834 4.740 -0.001 0.000 0.243 65 N C 0.035 175.516 175.510 -0.048 0.000 1.287 65 N CA 0.273 53.268 53.050 -0.092 0.000 0.911 65 N CB -0.203 38.235 38.487 -0.082 0.000 1.142 65 N HN 0.414 nan 8.380 nan 0.000 0.451 66 N N -0.759 117.903 118.700 -0.062 0.000 2.466 66 N HA 0.294 5.034 4.740 -0.001 0.000 0.294 66 N C -0.425 175.046 175.510 -0.066 0.000 1.129 66 N CA -0.691 52.318 53.050 -0.068 0.000 0.931 66 N CB 1.088 39.508 38.487 -0.110 0.000 1.193 66 N HN 0.409 nan 8.380 nan 0.000 0.500 67 c N 1.282 119.847 118.600 -0.059 0.000 2.703 67 c HA 0.027 4.596 4.570 -0.001 0.000 0.411 67 c C 0.657 174.664 174.090 -0.140 0.000 1.290 67 c CA -0.526 55.745 56.329 -0.096 0.000 2.054 67 c CB -0.141 42.338 42.510 -0.053 0.000 2.732 67 c HN 0.531 nan 8.230 nan 0.000 0.650 68 Q N 2.704 122.337 119.800 -0.278 0.000 2.274 68 Q HA 0.185 4.524 4.340 -0.001 0.000 0.280 68 Q C 0.030 175.987 176.000 -0.072 0.000 1.047 68 Q CA 0.995 56.626 55.803 -0.288 0.000 0.907 68 Q CB 0.392 28.706 28.738 -0.707 0.000 1.171 68 Q HN 0.880 nan 8.270 nan 0.000 0.381 69 Q N 1.581 121.430 119.800 0.081 0.000 2.630 69 Q HA 0.325 4.664 4.340 -0.001 0.000 0.295 69 Q C -1.265 174.919 176.000 0.306 0.000 0.944 69 Q CA -1.030 54.921 55.803 0.247 0.000 0.766 69 Q CB 0.857 29.703 28.738 0.179 0.000 1.471 69 Q HN 0.475 nan 8.270 nan 0.000 0.416 70 Y N 0.945 121.441 120.300 0.327 0.000 2.497 70 Y HA 0.393 4.943 4.550 -0.001 0.000 0.334 70 Y C -1.086 174.993 175.900 0.297 0.000 1.199 70 Y CA 0.242 58.557 58.100 0.358 0.000 1.425 70 Y CB 0.963 39.742 38.460 0.531 0.000 1.291 70 Y HN 0.427 nan 8.280 nan 0.000 0.562 71 V N 6.247 125.866 119.914 -0.493 0.000 2.487 71 V HA 0.132 4.252 4.120 -0.001 0.000 0.298 71 V C -0.671 175.111 176.094 -0.520 0.000 1.028 71 V CA -1.151 60.968 62.300 -0.302 0.000 0.860 71 V CB 1.541 33.276 31.823 -0.147 0.000 0.991 71 V HN 0.752 nan 8.190 nan 0.000 0.427 72 D N 3.605 123.951 120.400 -0.092 0.000 2.363 72 D HA 0.066 4.705 4.640 -0.001 0.000 0.263 72 D C 0.583 176.931 176.300 0.080 0.000 1.258 72 D CA 0.544 54.614 54.000 0.117 0.000 0.907 72 D CB 0.845 41.842 40.800 0.329 0.000 1.107 72 D HN 0.693 nan 8.370 nan 0.000 0.495 73 E N 2.346 122.559 120.200 0.023 0.000 2.624 73 E HA -0.033 4.316 4.350 -0.001 0.000 0.210 73 E C 0.964 177.534 176.600 -0.051 0.000 0.997 73 E CA -0.147 56.257 56.400 0.006 0.000 0.999 73 E CB 0.584 30.260 29.700 -0.039 0.000 1.040 73 E HN 0.334 nan 8.360 nan 0.000 0.469 74 Q N -0.132 119.615 119.800 -0.088 0.000 2.135 74 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 74 Q C -0.338 175.124 176.000 -0.897 0.000 0.981 74 Q CA 1.432 56.915 55.803 -0.533 0.000 0.856 74 Q CB 0.168 28.526 28.738 -0.634 0.000 0.902 74 Q HN 0.147 nan 8.270 nan 0.000 0.425 75 F N -0.249 119.780 119.950 0.130 0.000 2.710 75 F HA 0.396 4.922 4.527 -0.001 0.000 0.345 75 F C -2.276 173.610 175.800 0.142 0.000 1.362 75 F CA -2.756 55.300 58.000 0.093 0.000 1.175 75 F CB 1.194 40.233 39.000 0.066 0.000 1.561 75 F HN -0.158 nan 8.300 nan 0.000 0.593 76 P HA 0.114 nan 4.420 nan 0.000 0.260 76 P C 1.030 178.422 177.300 0.152 0.000 1.172 76 P CA 1.449 64.629 63.100 0.132 0.000 0.760 76 P CB 0.638 32.377 31.700 0.065 0.000 0.773 77 G N 2.419 111.294 108.800 0.126 0.000 2.212 77 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.266 77 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.266 77 G C 0.022 175.001 174.900 0.132 0.000 0.978 77 G CA -0.387 44.770 45.100 0.096 0.000 0.632 77 G HN 0.533 nan 8.290 nan 0.000 0.537 78 F N 3.076 123.040 119.950 0.023 0.000 2.445 78 F HA 0.524 5.050 4.527 -0.001 0.000 0.359 78 F C 1.675 177.430 175.800 -0.076 0.000 1.101 78 F CA -0.210 57.752 58.000 -0.062 0.000 1.177 78 F CB 1.153 40.110 39.000 -0.071 0.000 1.110 78 F HN 0.195 nan 8.300 nan 0.000 0.522 79 S N 3.243 118.528 115.700 -0.693 0.000 2.402 79 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 79 S C 2.237 176.462 174.600 -0.624 0.000 1.021 79 S CA 0.841 58.706 58.200 -0.559 0.000 0.974 79 S CB -1.186 61.730 63.200 -0.474 0.000 0.800 79 S HN 0.818 nan 8.310 nan 0.000 0.484 80 G N 1.783 109.773 108.800 -1.349 0.000 2.475 80 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.220 80 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.220 80 G C 1.687 176.934 174.900 0.578 0.000 1.125 80 G CA 1.404 46.076 45.100 -0.713 0.000 0.755 80 G HN 0.816 nan 8.290 nan 0.000 0.565 81 S N -0.806 115.223 115.700 0.550 0.000 2.514 81 S HA 0.194 4.663 4.470 -0.001 0.000 0.223 81 S C 1.771 176.658 174.600 0.479 0.000 1.046 81 S CA 0.721 59.481 58.200 0.934 0.000 0.914 81 S CB 0.287 64.190 63.200 1.172 0.000 0.807 81 S HN 0.316 nan 8.310 nan 0.000 0.497 82 E N 1.913 122.236 120.200 0.205 0.000 2.274 82 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 82 E C 1.992 178.541 176.600 -0.085 0.000 0.996 82 E CA 1.108 57.550 56.400 0.070 0.000 0.840 82 E CB -0.425 29.285 29.700 0.017 0.000 0.772 82 E HN 0.851 nan 8.360 nan 0.000 0.491 83 M N -2.102 117.354 119.600 -0.241 0.000 2.549 83 M HA -0.044 4.436 4.480 -0.001 0.000 0.260 83 M C 0.867 176.723 176.300 -0.741 0.000 1.076 83 M CA 1.255 56.234 55.300 -0.535 0.000 1.090 83 M CB -0.261 31.912 32.600 -0.711 0.000 1.418 83 M HN 0.029 nan 8.290 nan 0.000 0.486 84 W N 0.652 121.890 121.300 -0.104 0.000 3.107 84 W HA 0.287 4.947 4.660 -0.001 0.000 0.293 84 W C 0.522 176.954 176.519 -0.146 0.000 1.239 84 W CA -0.885 56.360 57.345 -0.167 0.000 1.653 84 W CB -0.055 29.323 29.460 -0.137 0.000 1.068 84 W HN 0.092 nan 8.180 nan 0.000 0.615 85 N N 2.211 120.943 118.700 0.052 0.000 2.424 85 N HA 0.120 4.859 4.740 -0.001 0.000 0.257 85 N C -2.390 173.081 175.510 -0.064 0.000 1.250 85 N CA -1.445 51.616 53.050 0.018 0.000 0.946 85 N CB -0.233 38.270 38.487 0.027 0.000 1.175 85 N HN -0.290 nan 8.380 nan 0.000 0.477 86 P HA 0.076 nan 4.420 nan 0.000 0.271 86 P C -0.207 177.035 177.300 -0.097 0.000 1.226 86 P CA -0.155 62.883 63.100 -0.102 0.000 0.765 86 P CB 0.224 31.873 31.700 -0.084 0.000 0.835 87 N N 3.319 121.945 118.700 -0.123 0.000 2.295 87 N HA 0.069 4.809 4.740 -0.001 0.000 0.221 87 N C 0.286 175.748 175.510 -0.081 0.000 1.129 87 N CA -0.129 52.859 53.050 -0.104 0.000 0.836 87 N CB 0.297 38.708 38.487 -0.127 0.000 1.040 87 N HN 0.275 nan 8.380 nan 0.000 0.494 88 R N -0.408 120.042 120.500 -0.082 0.000 2.846 88 R HA 0.282 4.622 4.340 -0.001 0.000 0.263 88 R C -0.887 175.377 176.300 -0.060 0.000 1.080 88 R CA -0.787 55.275 56.100 -0.063 0.000 0.961 88 R CB 1.029 31.286 30.300 -0.072 0.000 1.231 88 R HN 0.146 nan 8.270 nan 0.000 0.465 89 E N 1.310 121.478 120.200 -0.054 0.000 2.376 89 E HA 0.053 4.403 4.350 -0.001 0.000 0.266 89 E C -0.306 176.257 176.600 -0.062 0.000 1.009 89 E CA 0.280 56.648 56.400 -0.053 0.000 0.902 89 E CB 0.617 30.285 29.700 -0.052 0.000 0.972 89 E HN 0.219 nan 8.360 nan 0.000 0.439 90 M N 2.517 122.080 119.600 -0.061 0.000 2.288 90 M HA 0.268 4.748 4.480 -0.001 0.000 0.334 90 M C -0.238 176.010 176.300 -0.087 0.000 1.150 90 M CA -0.043 55.211 55.300 -0.076 0.000 1.118 90 M CB 1.525 34.081 32.600 -0.072 0.000 1.501 90 M HN 0.457 nan 8.290 nan 0.000 0.462 91 S N 0.241 115.875 115.700 -0.111 0.000 2.556 91 S HA 0.177 4.647 4.470 -0.001 0.000 0.280 91 S C -0.006 174.496 174.600 -0.163 0.000 1.141 91 S CA -0.702 57.428 58.200 -0.116 0.000 0.883 91 S CB 1.293 64.452 63.200 -0.068 0.000 1.103 91 S HN 0.840 nan 8.310 nan 0.000 0.453 92 E N 1.176 121.252 120.200 -0.208 0.000 2.333 92 E HA -0.110 4.239 4.350 -0.001 0.000 0.198 92 E C -0.172 176.352 176.600 -0.126 0.000 1.007 92 E CA 0.683 56.936 56.400 -0.245 0.000 0.845 92 E CB 0.092 29.653 29.700 -0.231 0.000 0.766 92 E HN 0.531 nan 8.360 nan 0.000 0.507 93 D N 0.226 120.591 120.400 -0.057 0.000 2.483 93 D HA 0.002 4.641 4.640 -0.001 0.000 0.220 93 D C 0.013 176.405 176.300 0.152 0.000 1.173 93 D CA -0.256 53.764 54.000 0.033 0.000 0.964 93 D CB 0.031 40.872 40.800 0.068 0.000 1.046 93 D HN 0.143 nan 8.370 nan 0.000 0.517 94 c N 2.286 120.955 118.600 0.115 0.000 3.865 94 c HA 0.364 4.934 4.570 -0.001 0.000 0.297 94 c C 0.765 174.950 174.090 0.157 0.000 1.758 94 c CA -0.624 55.833 56.329 0.213 0.000 1.778 94 c CB -1.251 41.295 42.510 0.061 0.000 3.158 94 c HN 0.427 nan 8.230 nan 0.000 0.598 95 L N 2.594 123.657 121.223 -0.266 0.000 2.382 95 L HA 0.350 4.690 4.340 -0.001 0.000 0.259 95 L C -0.766 175.306 176.870 -1.330 0.000 1.291 95 L CA 0.550 54.991 54.840 -0.664 0.000 1.176 95 L CB -0.801 40.802 42.059 -0.760 0.000 1.373 95 L HN 0.389 nan 8.230 nan 0.000 0.426 96 Y N 1.568 121.716 120.300 -0.253 0.000 2.598 96 Y HA 0.692 5.242 4.550 -0.001 0.000 0.340 96 Y C -0.006 176.046 175.900 0.253 0.000 1.038 96 Y CA -1.293 56.734 58.100 -0.121 0.000 1.100 96 Y CB 1.808 40.219 38.460 -0.080 0.000 1.281 96 Y HN 0.157 nan 8.280 nan 0.000 0.488 97 L N -0.234 121.162 121.223 0.288 0.000 2.327 97 L HA 0.769 5.108 4.340 -0.001 0.000 0.258 97 L C -1.345 175.589 176.870 0.108 0.000 1.024 97 L CA -1.164 53.797 54.840 0.202 0.000 0.825 97 L CB 1.857 43.953 42.059 0.061 0.000 1.386 97 L HN 0.466 nan 8.230 nan 0.000 0.417 98 N N 1.460 120.230 118.700 0.117 0.000 2.238 98 N HA 0.739 5.479 4.740 -0.001 0.000 0.302 98 N C -1.335 174.134 175.510 -0.069 0.000 1.072 98 N CA -0.234 52.805 53.050 -0.018 0.000 0.792 98 N CB 2.750 41.230 38.487 -0.012 0.000 1.425 98 N HN 0.672 nan 8.380 nan 0.000 0.478 99 I N 0.274 120.719 120.570 -0.209 0.000 2.499 99 I HA 0.382 4.551 4.170 -0.001 0.000 0.288 99 I C -0.784 175.296 176.117 -0.062 0.000 1.048 99 I CA -0.712 60.565 61.300 -0.039 0.000 1.062 99 I CB 2.243 40.159 38.000 -0.139 0.000 1.238 99 I HN 0.231 nan 8.210 nan 0.000 0.426 100 W N 5.841 127.282 121.300 0.235 0.000 2.376 100 W HA 0.581 5.241 4.660 -0.001 0.000 0.312 100 W C -1.002 175.665 176.519 0.247 0.000 1.060 100 W CA -0.658 56.820 57.345 0.222 0.000 1.221 100 W CB 2.157 31.717 29.460 0.168 0.000 1.281 100 W HN 0.099 nan 8.180 nan 0.000 0.456 101 V N 5.237 125.420 119.914 0.448 0.000 2.444 101 V HA 0.253 4.373 4.120 -0.001 0.000 0.294 101 V C -1.975 174.319 176.094 0.333 0.000 1.022 101 V CA -2.357 60.179 62.300 0.394 0.000 0.850 101 V CB 1.784 33.899 31.823 0.487 0.000 0.992 101 V HN 0.269 nan 8.190 nan 0.000 0.426 102 P HA 0.046 nan 4.420 nan 0.000 0.269 102 P C -0.435 177.002 177.300 0.227 0.000 1.205 102 P CA 0.346 63.592 63.100 0.243 0.000 0.780 102 P CB 0.462 32.268 31.700 0.178 0.000 0.858 103 S N 1.062 116.892 115.700 0.217 0.000 2.561 103 S HA 0.550 5.019 4.470 -0.001 0.000 0.303 103 S C -2.526 172.168 174.600 0.156 0.000 1.110 103 S CA -1.454 56.855 58.200 0.181 0.000 1.034 103 S CB 0.207 63.513 63.200 0.177 0.000 1.010 103 S HN 0.256 nan 8.310 nan 0.000 0.482 104 P HA 0.259 nan 4.420 nan 0.000 0.277 104 P C -0.559 176.816 177.300 0.126 0.000 1.240 104 P CA -0.686 62.483 63.100 0.115 0.000 0.798 104 P CB 0.463 32.215 31.700 0.087 0.000 0.979 105 R N 2.426 123.008 120.500 0.138 0.000 2.494 105 R HA 0.037 4.377 4.340 -0.001 0.000 0.291 105 R C -1.906 174.462 176.300 0.113 0.000 0.953 105 R CA -0.651 55.538 56.100 0.149 0.000 1.098 105 R CB -0.498 29.890 30.300 0.145 0.000 0.911 105 R HN 0.369 nan 8.270 nan 0.000 0.407 106 P HA 0.084 nan 4.420 nan 0.000 0.275 106 P C -0.196 177.142 177.300 0.064 0.000 1.270 106 P CA -0.409 62.740 63.100 0.082 0.000 0.791 106 P CB 0.685 32.437 31.700 0.087 0.000 1.089 107 K N -0.932 119.494 120.400 0.042 0.000 2.225 107 K HA 0.196 4.516 4.320 -0.001 0.000 0.204 107 K C 0.552 177.158 176.600 0.009 0.000 1.047 107 K CA 0.988 57.290 56.287 0.024 0.000 0.970 107 K CB -0.389 32.120 32.500 0.016 0.000 0.939 107 K HN 0.238 nan 8.250 nan 0.000 0.472 108 S N 1.057 116.762 115.700 0.009 0.000 2.386 108 S HA 0.201 4.671 4.470 -0.001 0.000 0.152 108 S C -0.950 173.653 174.600 0.006 0.000 1.511 108 S CA -0.337 57.860 58.200 -0.006 0.000 1.246 108 S CB 0.455 63.641 63.200 -0.024 0.000 1.338 108 S HN 0.163 nan 8.310 nan 0.000 0.409 109 T N 1.790 116.359 114.554 0.024 0.000 2.944 109 T HA 0.506 4.856 4.350 -0.001 0.000 0.284 109 T C 0.188 174.904 174.700 0.027 0.000 1.010 109 T CA -0.090 62.027 62.100 0.029 0.000 1.025 109 T CB 0.967 69.865 68.868 0.049 0.000 1.079 109 T HN 0.399 nan 8.240 nan 0.000 0.516 110 T N 2.616 117.182 114.554 0.019 0.000 2.905 110 T HA 0.237 4.586 4.350 -0.001 0.000 0.299 110 T C -0.195 174.530 174.700 0.042 0.000 1.024 110 T CA -0.089 62.019 62.100 0.013 0.000 1.151 110 T CB -0.016 68.848 68.868 -0.007 0.000 0.987 110 T HN 0.417 nan 8.240 nan 0.000 0.535 111 V N 5.637 125.581 119.914 0.050 0.000 2.435 111 V HA 0.460 4.580 4.120 -0.001 0.000 0.290 111 V C 0.120 176.279 176.094 0.108 0.000 1.030 111 V CA -0.709 61.645 62.300 0.090 0.000 0.881 111 V CB 1.572 33.451 31.823 0.094 0.000 0.983 111 V HN 0.839 nan 8.190 nan 0.000 0.445 112 M N 4.722 124.416 119.600 0.157 0.000 2.134 112 M HA 0.507 4.986 4.480 -0.001 0.000 0.310 112 M C -1.242 175.324 176.300 0.443 0.000 0.966 112 M CA -0.546 54.881 55.300 0.212 0.000 0.922 112 M CB 2.014 34.637 32.600 0.038 0.000 1.537 112 M HN 0.398 nan 8.290 nan 0.000 0.424 113 V N 3.525 123.724 119.914 0.475 0.000 2.370 113 V HA 0.329 4.449 4.120 -0.001 0.000 0.283 113 V C -0.692 175.648 176.094 0.410 0.000 1.023 113 V CA -0.652 61.891 62.300 0.405 0.000 0.857 113 V CB 1.421 33.355 31.823 0.185 0.000 0.985 113 V HN 0.844 nan 8.190 nan 0.000 0.443 114 W N 7.047 128.387 121.300 0.066 0.000 2.351 114 W HA 0.628 5.288 4.660 -0.001 0.000 0.311 114 W C -1.294 175.086 176.519 -0.233 0.000 1.168 114 W CA -0.765 56.350 57.345 -0.384 0.000 1.200 114 W CB 1.236 30.533 29.460 -0.272 0.000 1.221 114 W HN 0.456 nan 8.180 nan 0.000 0.519 115 I N 9.191 129.081 120.570 -1.134 0.000 2.382 115 I HA 0.074 4.244 4.170 -0.001 0.000 0.285 115 I C -0.265 175.089 176.117 -1.272 0.000 1.007 115 I CA -1.165 59.571 61.300 -0.941 0.000 1.142 115 I CB 0.626 38.256 38.000 -0.616 0.000 1.289 115 I HN 0.287 nan 8.210 nan 0.000 0.453 116 Y N 4.455 124.286 120.300 -0.783 0.000 2.578 116 Y HA 0.609 5.158 4.550 -0.001 0.000 0.339 116 Y C 0.778 176.527 175.900 -0.252 0.000 1.231 116 Y CA -0.859 56.921 58.100 -0.533 0.000 1.461 116 Y CB -0.129 38.253 38.460 -0.131 0.000 1.323 116 Y HN 0.554 nan 8.280 nan 0.000 0.590 117 G N -0.315 108.520 108.800 0.057 0.000 2.525 117 G HA2 0.478 4.437 3.960 -0.001 0.000 0.287 117 G HA3 0.478 4.437 3.960 -0.001 0.000 0.287 117 G C 0.415 175.279 174.900 -0.060 0.000 1.350 117 G CA -0.833 44.227 45.100 -0.068 0.000 1.039 117 G HN 1.755 nan 8.290 nan 0.000 0.513 118 G N -3.018 105.581 108.800 -0.334 0.000 2.215 118 G HA2 0.394 4.353 3.960 -0.001 0.000 0.187 118 G HA3 0.394 4.353 3.960 -0.001 0.000 0.187 118 G C 1.102 175.443 174.900 -0.930 0.000 1.039 118 G CA 0.752 45.528 45.100 -0.540 0.000 0.771 118 G HN 2.327 nan 8.290 nan 0.000 0.507 119 G N -0.445 107.818 108.800 -0.894 0.000 2.180 119 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.263 119 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.263 119 G C 0.922 175.587 174.900 -0.391 0.000 0.989 119 G CA 0.931 45.362 45.100 -1.115 0.000 0.692 119 G HN 1.745 nan 8.290 nan 0.000 0.526 120 F N -3.617 116.244 119.950 -0.149 0.000 2.699 120 F HA -0.284 4.243 4.527 -0.001 0.000 0.343 120 F C 1.374 177.297 175.800 0.205 0.000 0.633 120 F CA 1.971 60.012 58.000 0.069 0.000 1.365 120 F CB -2.104 36.788 39.000 -0.179 0.000 1.795 120 F HN 0.910 nan 8.300 nan 0.000 0.304 121 Y N -0.787 119.631 120.300 0.197 0.000 2.500 121 Y HA 0.684 5.234 4.550 -0.001 0.000 0.246 121 Y C 0.541 176.558 175.900 0.195 0.000 1.146 121 Y CA 0.112 58.337 58.100 0.208 0.000 1.230 121 Y CB 0.058 38.557 38.460 0.065 0.000 1.214 121 Y HN 0.149 nan 8.280 nan 0.000 0.526 122 S N -0.721 114.782 115.700 -0.329 0.000 2.636 122 S HA 0.843 5.312 4.470 -0.001 0.000 0.268 122 S C -0.327 174.111 174.600 -0.271 0.000 1.159 122 S CA -0.434 57.625 58.200 -0.236 0.000 0.815 122 S CB 1.340 64.346 63.200 -0.324 0.000 1.130 122 S HN 1.415 nan 8.310 nan 0.000 0.471 123 G N 0.023 108.641 108.800 -0.302 0.000 2.528 123 G HA2 0.419 4.378 3.960 -0.001 0.000 0.681 123 G HA3 0.419 4.378 3.960 -0.001 0.000 0.681 123 G C -0.943 173.302 174.900 -1.092 0.000 1.340 123 G CA -0.324 44.430 45.100 -0.577 0.000 0.855 123 G HN 1.418 nan 8.290 nan 0.000 0.649 124 S N -0.577 114.546 115.700 -0.961 0.000 2.569 124 S HA 0.740 5.209 4.470 -0.001 0.000 0.280 124 S C 1.037 175.472 174.600 -0.275 0.000 1.111 124 S CA 0.019 57.823 58.200 -0.660 0.000 0.887 124 S CB 1.876 64.897 63.200 -0.298 0.000 1.095 124 S HN 1.931 nan 8.310 nan 0.000 0.476 125 S N -0.267 115.461 115.700 0.046 0.000 2.528 125 S HA -0.043 4.427 4.470 -0.001 0.000 0.219 125 S C 1.291 175.992 174.600 0.168 0.000 0.985 125 S CA 0.713 59.127 58.200 0.356 0.000 0.914 125 S CB -0.633 62.820 63.200 0.422 0.000 0.776 125 S HN 0.826 nan 8.310 nan 0.000 0.526 126 T N 0.208 114.658 114.554 -0.173 0.000 3.122 126 T HA 0.413 4.763 4.350 -0.001 0.000 0.250 126 T C 0.520 174.933 174.700 -0.479 0.000 1.067 126 T CA -0.520 61.137 62.100 -0.738 0.000 0.966 126 T CB -0.502 67.815 68.868 -0.917 0.000 1.002 126 T HN 0.291 nan 8.240 nan 0.000 0.542 127 L N 1.932 122.999 121.223 -0.260 0.000 2.483 127 L HA 0.153 4.492 4.340 -0.001 0.000 0.276 127 L C 1.346 178.002 176.870 -0.356 0.000 1.213 127 L CA -0.417 54.190 54.840 -0.389 0.000 0.843 127 L CB 0.374 42.012 42.059 -0.702 0.000 1.107 127 L HN 0.063 nan 8.230 nan 0.000 0.487 128 D N 0.992 121.187 120.400 -0.341 0.000 2.104 128 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 128 D C 1.926 178.021 176.300 -0.342 0.000 0.994 128 D CA 1.238 55.090 54.000 -0.247 0.000 0.830 128 D CB -0.063 40.607 40.800 -0.216 0.000 0.959 128 D HN 0.472 nan 8.370 nan 0.000 0.452 129 V N -0.764 118.807 119.914 -0.571 0.000 3.383 129 V HA -0.158 3.962 4.120 -0.001 0.000 0.272 129 V C 1.069 176.720 176.094 -0.739 0.000 1.181 129 V CA 1.013 62.957 62.300 -0.593 0.000 1.171 129 V CB -1.163 30.224 31.823 -0.726 0.000 0.800 129 V HN 0.119 nan 8.190 nan 0.000 0.515 130 Y N -0.474 119.371 120.300 -0.759 0.000 2.467 130 Y HA 0.411 4.960 4.550 -0.001 0.000 0.250 130 Y C 1.179 176.581 175.900 -0.829 0.000 1.155 130 Y CA -1.709 55.637 58.100 -1.257 0.000 1.249 130 Y CB -0.673 37.391 38.460 -0.659 0.000 1.146 130 Y HN 0.247 nan 8.280 nan 0.000 0.524 131 N N 1.505 120.002 118.700 -0.338 0.000 2.417 131 N HA -0.052 4.687 4.740 -0.001 0.000 0.272 131 N C 1.401 176.554 175.510 -0.596 0.000 1.304 131 N CA 0.766 53.590 53.050 -0.377 0.000 0.906 131 N CB 1.117 39.490 38.487 -0.190 0.000 1.135 131 N HN 0.485 nan 8.380 nan 0.000 0.483 132 G N 3.622 111.504 108.800 -1.529 0.000 2.534 132 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 132 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 132 G C 1.477 175.840 174.900 -0.894 0.000 1.128 132 G CA 0.734 45.185 45.100 -1.081 0.000 0.784 132 G HN 0.765 nan 8.290 nan 0.000 0.542 133 K N -0.298 119.303 120.400 -1.331 0.000 2.074 133 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 133 K C 1.921 178.322 176.600 -0.332 0.000 1.048 133 K CA 1.505 57.418 56.287 -0.624 0.000 0.926 133 K CB -0.622 31.557 32.500 -0.536 0.000 0.713 133 K HN 0.341 nan 8.250 nan 0.000 0.444 134 Y N 0.918 121.157 120.300 -0.102 0.000 2.242 134 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 134 Y C 2.325 178.241 175.900 0.027 0.000 1.137 134 Y CA 0.655 58.754 58.100 -0.002 0.000 1.181 134 Y CB -0.541 37.889 38.460 -0.050 0.000 0.989 134 Y HN 0.056 nan 8.280 nan 0.000 0.527 135 L N 0.179 121.455 121.223 0.088 0.000 2.072 135 L HA 0.023 4.363 4.340 -0.001 0.000 0.205 135 L C 2.368 179.272 176.870 0.056 0.000 1.079 135 L CA 1.746 56.597 54.840 0.019 0.000 0.752 135 L CB -1.286 40.703 42.059 -0.116 0.000 0.906 135 L HN 0.127 nan 8.230 nan 0.000 0.436 136 A N -1.064 121.808 122.820 0.087 0.000 1.873 136 A HA -0.328 3.991 4.320 -0.001 0.000 0.218 136 A C 2.328 180.009 177.584 0.162 0.000 1.193 136 A CA 2.186 54.319 52.037 0.160 0.000 0.629 136 A CB -1.319 17.839 19.000 0.264 0.000 0.826 136 A HN 0.604 nan 8.150 nan 0.000 0.447 137 Y N 1.119 121.455 120.300 0.061 0.000 2.089 137 Y HA -0.186 4.364 4.550 -0.001 0.000 0.282 137 Y C 2.748 178.682 175.900 0.056 0.000 1.139 137 Y CA 2.481 60.618 58.100 0.062 0.000 1.123 137 Y CB -0.884 37.601 38.460 0.040 0.000 0.980 137 Y HN 0.307 nan 8.280 nan 0.000 0.493 138 T N 0.402 114.944 114.554 -0.021 0.000 2.788 138 T HA -0.133 4.217 4.350 -0.001 0.000 0.268 138 T C 1.241 175.876 174.700 -0.108 0.000 1.044 138 T CA 1.731 63.755 62.100 -0.127 0.000 1.139 138 T CB -0.110 68.775 68.868 0.028 0.000 0.867 138 T HN 0.357 nan 8.240 nan 0.000 0.454 139 E N 0.896 121.079 120.200 -0.028 0.000 2.498 139 E HA 0.040 4.389 4.350 -0.001 0.000 0.203 139 E C 0.233 176.840 176.600 0.012 0.000 1.013 139 E CA 0.047 56.458 56.400 0.017 0.000 0.927 139 E CB 0.006 29.736 29.700 0.050 0.000 1.012 139 E HN 0.749 nan 8.360 nan 0.000 0.482 140 E N 0.134 120.330 120.200 -0.007 0.000 2.197 140 E HA -0.187 4.163 4.350 -0.001 0.000 0.184 140 E C -0.006 176.628 176.600 0.058 0.000 1.439 140 E CA 0.385 56.801 56.400 0.027 0.000 0.688 140 E CB -2.635 27.067 29.700 0.004 0.000 1.090 140 E HN 0.070 nan 8.360 nan 0.000 0.341 141 V N -2.697 117.265 119.914 0.079 0.000 2.960 141 V HA 0.683 4.803 4.120 -0.001 0.000 0.315 141 V C 0.394 176.572 176.094 0.140 0.000 1.087 141 V CA -1.216 61.135 62.300 0.085 0.000 0.982 141 V CB 2.215 34.073 31.823 0.058 0.000 1.039 141 V HN 0.148 nan 8.190 nan 0.000 0.437 142 V N 4.453 124.456 119.914 0.149 0.000 2.385 142 V HA 0.285 4.404 4.120 -0.001 0.000 0.269 142 V C 0.058 176.293 176.094 0.235 0.000 1.043 142 V CA -0.323 62.097 62.300 0.201 0.000 0.906 142 V CB 1.057 32.982 31.823 0.170 0.000 0.995 142 V HN 0.757 nan 8.190 nan 0.000 0.467 143 L N 7.409 128.830 121.223 0.329 0.000 2.264 143 L HA 0.566 4.906 4.340 -0.001 0.000 0.289 143 L C -0.461 176.711 176.870 0.503 0.000 1.044 143 L CA 0.201 55.290 54.840 0.414 0.000 0.807 143 L CB 1.654 43.969 42.059 0.426 0.000 1.192 143 L HN 0.390 nan 8.230 nan 0.000 0.425 144 V N 4.089 124.270 119.914 0.446 0.000 2.495 144 V HA 0.500 4.619 4.120 -0.001 0.000 0.298 144 V C -0.037 176.335 176.094 0.463 0.000 1.031 144 V CA -0.590 61.941 62.300 0.385 0.000 0.871 144 V CB 2.198 34.158 31.823 0.228 0.000 0.988 144 V HN 0.908 nan 8.190 nan 0.000 0.432 145 S N 5.248 121.235 115.700 0.478 0.000 2.552 145 S HA 0.800 5.270 4.470 -0.001 0.000 0.314 145 S C -0.690 174.096 174.600 0.311 0.000 1.099 145 S CA -0.788 57.701 58.200 0.481 0.000 1.070 145 S CB 1.442 65.036 63.200 0.657 0.000 0.998 145 S HN 0.608 nan 8.310 nan 0.000 0.474 146 L N 1.202 122.535 121.223 0.182 0.000 2.657 146 L HA 0.982 5.322 4.340 -0.001 0.000 0.240 146 L C 0.228 177.229 176.870 0.218 0.000 1.151 146 L CA -0.639 54.269 54.840 0.112 0.000 0.831 146 L CB -0.319 41.680 42.059 -0.101 0.000 1.539 146 L HN 0.891 nan 8.230 nan 0.000 0.511 147 S N -1.954 113.911 115.700 0.275 0.000 2.596 147 S HA 0.858 5.327 4.470 -0.001 0.000 0.270 147 S C -1.341 173.485 174.600 0.376 0.000 1.155 147 S CA -0.565 57.844 58.200 0.349 0.000 0.827 147 S CB 1.432 64.891 63.200 0.430 0.000 1.130 147 S HN 1.217 nan 8.310 nan 0.000 0.467 148 Y N -1.627 118.768 120.300 0.159 0.000 2.592 148 Y HA 0.703 5.253 4.550 -0.001 0.000 0.334 148 Y C -0.798 175.223 175.900 0.202 0.000 1.136 148 Y CA -1.388 56.798 58.100 0.144 0.000 1.042 148 Y CB 0.709 39.193 38.460 0.041 0.000 1.325 148 Y HN 0.787 nan 8.280 nan 0.000 0.457 149 R N 1.810 122.440 120.500 0.216 0.000 2.590 149 R HA 0.530 4.870 4.340 -0.001 0.000 0.274 149 R C -0.101 176.355 176.300 0.261 0.000 1.061 149 R CA -0.145 56.038 56.100 0.140 0.000 1.081 149 R CB 0.927 31.278 30.300 0.084 0.000 0.984 149 R HN 0.695 nan 8.270 nan 0.000 0.448 150 V N -0.144 119.947 119.914 0.296 0.000 3.204 150 V HA 0.857 4.977 4.120 -0.001 0.000 0.316 150 V C 0.821 177.250 176.094 0.558 0.000 1.160 150 V CA -0.218 62.380 62.300 0.497 0.000 1.044 150 V CB 0.970 32.980 31.823 0.312 0.000 1.136 150 V HN 0.966 nan 8.190 nan 0.000 0.455 151 G N 0.111 109.278 108.800 0.611 0.000 2.591 151 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.278 151 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.278 151 G C 1.062 176.128 174.900 0.277 0.000 1.293 151 G CA 1.213 46.618 45.100 0.508 0.000 0.930 151 G HN 2.198 nan 8.290 nan 0.000 0.562 152 A N -1.341 121.290 122.820 -0.314 0.000 1.917 152 A HA 0.108 4.428 4.320 -0.001 0.000 0.219 152 A C 2.274 179.725 177.584 -0.222 0.000 1.182 152 A CA 2.761 54.259 52.037 -0.897 0.000 0.633 152 A CB -0.603 17.679 19.000 -1.196 0.000 0.819 152 A HN 1.036 nan 8.150 nan 0.000 0.448 153 F N 0.100 120.095 119.950 0.075 0.000 2.115 153 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 153 F C 2.496 178.297 175.800 0.001 0.000 1.092 153 F CA 1.393 59.404 58.000 0.019 0.000 1.245 153 F CB -0.859 38.112 39.000 -0.049 0.000 0.995 153 F HN 0.298 nan 8.300 nan 0.000 0.481 154 G N -2.762 106.126 108.800 0.147 0.000 2.921 154 G HA2 0.067 4.027 3.960 -0.001 0.000 0.213 154 G HA3 0.067 4.027 3.960 -0.001 0.000 0.213 154 G C 0.769 175.138 174.900 -0.884 0.000 1.143 154 G CA 0.106 45.036 45.100 -0.283 0.000 0.764 154 G HN 0.339 nan 8.290 nan 0.000 0.542 155 F N -0.627 119.414 119.950 0.153 0.000 2.899 155 F HA 0.427 4.954 4.527 -0.001 0.000 0.337 155 F C 0.355 176.215 175.800 0.100 0.000 1.129 155 F CA -1.112 56.960 58.000 0.120 0.000 1.128 155 F CB 0.355 39.456 39.000 0.169 0.000 1.154 155 F HN -0.103 nan 8.300 nan 0.000 0.531 156 L N 2.198 123.422 121.223 0.002 0.000 2.578 156 L HA 0.399 4.739 4.340 -0.001 0.000 0.279 156 L C 0.166 177.012 176.870 -0.041 0.000 1.227 156 L CA 0.289 55.028 54.840 -0.168 0.000 0.900 156 L CB 0.276 41.926 42.059 -0.681 0.000 1.144 156 L HN 0.167 nan 8.230 nan 0.000 0.496 157 A N 6.895 129.738 122.820 0.039 0.000 2.375 157 A HA 0.609 4.929 4.320 -0.001 0.000 0.291 157 A C -0.932 176.669 177.584 0.028 0.000 1.160 157 A CA -0.489 51.574 52.037 0.043 0.000 0.747 157 A CB 0.607 19.666 19.000 0.098 0.000 1.170 157 A HN 0.672 nan 8.150 nan 0.000 0.458 158 L N 3.650 124.878 121.223 0.008 0.000 2.435 158 L HA 0.253 4.593 4.340 -0.001 0.000 0.253 158 L C 0.078 176.986 176.870 0.062 0.000 1.087 158 L CA -0.825 54.025 54.840 0.016 0.000 0.950 158 L CB 0.330 42.368 42.059 -0.036 0.000 1.304 158 L HN 0.870 nan 8.230 nan 0.000 0.453 159 H N 1.898 120.969 119.070 0.002 0.000 3.115 159 H HA 0.208 4.764 4.556 -0.001 0.000 0.324 159 H C 1.129 176.463 175.328 0.010 0.000 1.007 159 H CA 1.597 57.652 56.048 0.013 0.000 1.385 159 H CB 0.829 30.601 29.762 0.018 0.000 1.351 159 H HN 0.713 nan 8.280 nan 0.000 0.592 160 G N 2.629 111.114 108.800 -0.525 0.000 2.475 160 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.209 160 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.209 160 G C 0.547 175.351 174.900 -0.160 0.000 1.127 160 G CA 0.358 45.258 45.100 -0.334 0.000 0.681 160 G HN 1.135 nan 8.290 nan 0.000 0.517 161 S N 0.635 116.282 115.700 -0.089 0.000 2.584 161 S HA 0.558 5.027 4.470 -0.001 0.000 0.270 161 S C 0.857 175.437 174.600 -0.034 0.000 1.346 161 S CA 0.891 59.065 58.200 -0.043 0.000 1.018 161 S CB 1.564 64.751 63.200 -0.021 0.000 0.899 161 S HN 0.369 nan 8.310 nan 0.000 0.542 162 Q N 0.295 120.089 119.800 -0.011 0.000 2.217 162 Q HA 0.220 4.560 4.340 -0.001 0.000 0.217 162 Q C 1.026 177.042 176.000 0.028 0.000 0.844 162 Q CA 0.029 55.835 55.803 0.005 0.000 0.957 162 Q CB 0.333 29.073 28.738 0.004 0.000 1.127 162 Q HN 0.746 nan 8.270 nan 0.000 0.503 163 E N 0.699 120.919 120.200 0.033 0.000 2.170 163 E HA 0.082 4.431 4.350 -0.001 0.000 0.191 163 E C 0.182 176.840 176.600 0.096 0.000 0.981 163 E CA 0.530 56.969 56.400 0.065 0.000 0.830 163 E CB 0.562 30.302 29.700 0.068 0.000 0.775 163 E HN 0.123 nan 8.360 nan 0.000 0.470 164 A N 1.522 124.374 122.820 0.054 0.000 3.300 164 A HA 0.295 4.615 4.320 -0.001 0.000 0.300 164 A C -2.113 175.479 177.584 0.013 0.000 1.099 164 A CA -0.895 51.164 52.037 0.037 0.000 0.846 164 A CB 0.696 19.626 19.000 -0.117 0.000 1.255 164 A HN -0.118 nan 8.150 nan 0.000 0.519 165 P HA 0.149 nan 4.420 nan 0.000 0.225 165 P C 0.914 178.268 177.300 0.089 0.000 1.156 165 P CA 1.870 65.005 63.100 0.059 0.000 0.787 165 P CB 0.252 31.988 31.700 0.059 0.000 0.802 166 G N 0.126 108.959 108.800 0.056 0.000 2.612 166 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.686 166 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.686 166 G C -0.199 174.713 174.900 0.020 0.000 1.274 166 G CA -0.276 44.862 45.100 0.063 0.000 0.849 166 G HN 0.079 nan 8.290 nan 0.000 0.595 167 N N -2.307 116.407 118.700 0.024 0.000 2.732 167 N HA -0.283 4.457 4.740 -0.001 0.000 0.250 167 N C 1.981 177.352 175.510 -0.231 0.000 1.097 167 N CA 2.559 55.553 53.050 -0.093 0.000 0.812 167 N CB -1.548 36.807 38.487 -0.220 0.000 1.148 167 N HN 1.927 nan 8.380 nan 0.000 0.572 168 V N -2.873 116.893 119.914 -0.245 0.000 2.594 168 V HA 0.003 4.123 4.120 -0.001 0.000 0.253 168 V C 2.245 178.205 176.094 -0.224 0.000 1.069 168 V CA 2.280 64.476 62.300 -0.173 0.000 1.082 168 V CB -0.833 30.940 31.823 -0.083 0.000 0.680 168 V HN 0.279 nan 8.190 nan 0.000 0.469 169 G N 0.233 108.699 108.800 -0.556 0.000 2.422 169 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.218 169 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.218 169 G C 1.533 176.421 174.900 -0.021 0.000 1.140 169 G CA 0.986 45.917 45.100 -0.282 0.000 0.775 169 G HN 0.528 nan 8.290 nan 0.000 0.545 170 L N -0.128 121.041 121.223 -0.090 0.000 2.093 170 L HA 0.078 4.418 4.340 -0.001 0.000 0.208 170 L C 2.822 179.745 176.870 0.088 0.000 1.085 170 L CA 0.401 55.173 54.840 -0.113 0.000 0.755 170 L CB -0.225 41.424 42.059 -0.684 0.000 0.904 170 L HN 0.184 nan 8.230 nan 0.000 0.435 171 L N -0.670 120.588 121.223 0.058 0.000 2.093 171 L HA -0.208 4.131 4.340 -0.001 0.000 0.208 171 L C 2.170 179.121 176.870 0.134 0.000 1.085 171 L CA 0.905 55.842 54.840 0.160 0.000 0.755 171 L CB -0.590 41.540 42.059 0.118 0.000 0.904 171 L HN 0.272 nan 8.230 nan 0.000 0.435 172 D N 0.036 120.510 120.400 0.122 0.000 2.116 172 D HA -0.227 4.413 4.640 -0.001 0.000 0.193 172 D C 2.282 178.643 176.300 0.101 0.000 0.998 172 D CA 1.298 55.423 54.000 0.207 0.000 0.836 172 D CB -0.196 40.760 40.800 0.260 0.000 0.951 172 D HN 0.386 nan 8.370 nan 0.000 0.449 173 Q N -0.055 119.771 119.800 0.043 0.000 2.084 173 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 173 Q C 2.279 178.176 176.000 -0.171 0.000 0.978 173 Q CA 0.951 56.693 55.803 -0.101 0.000 0.844 173 Q CB -0.082 28.613 28.738 -0.073 0.000 0.898 173 Q HN 0.210 nan 8.270 nan 0.000 0.426 174 R N 0.664 121.146 120.500 -0.029 0.000 2.096 174 R HA -0.126 4.214 4.340 -0.001 0.000 0.235 174 R C 2.119 178.383 176.300 -0.060 0.000 1.127 174 R CA 1.342 57.402 56.100 -0.066 0.000 0.968 174 R CB -0.125 30.238 30.300 0.105 0.000 0.861 174 R HN 0.278 nan 8.270 nan 0.000 0.440 175 M N -0.183 119.406 119.600 -0.019 0.000 2.296 175 M HA -0.050 4.430 4.480 -0.001 0.000 0.265 175 M C 1.960 178.189 176.300 -0.118 0.000 1.064 175 M CA 1.654 56.973 55.300 0.032 0.000 1.109 175 M CB 0.111 32.826 32.600 0.192 0.000 1.396 175 M HN 0.294 nan 8.290 nan 0.000 0.430 176 A N 0.157 122.668 122.820 -0.516 0.000 1.929 176 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 176 A C 1.925 179.377 177.584 -0.220 0.000 1.176 176 A CA 1.043 52.611 52.037 -0.781 0.000 0.628 176 A CB -0.772 17.526 19.000 -1.170 0.000 0.816 176 A HN 0.541 nan 8.150 nan 0.000 0.444 177 L N -0.904 120.216 121.223 -0.173 0.000 2.141 177 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 177 L C 2.784 179.688 176.870 0.056 0.000 1.094 177 L CA 1.483 56.293 54.840 -0.051 0.000 0.763 177 L CB -0.459 41.531 42.059 -0.115 0.000 0.908 177 L HN 0.429 nan 8.230 nan 0.000 0.437 178 Q N -0.104 119.725 119.800 0.049 0.000 2.020 178 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 178 Q C 2.019 178.141 176.000 0.203 0.000 0.982 178 Q CA 2.007 57.873 55.803 0.103 0.000 0.838 178 Q CB -0.596 28.194 28.738 0.087 0.000 0.899 178 Q HN 0.464 nan 8.270 nan 0.000 0.423 179 W N -0.540 120.777 121.300 0.027 0.000 2.338 179 W HA -0.200 4.460 4.660 -0.001 0.000 0.304 179 W C 1.924 178.477 176.519 0.058 0.000 1.212 179 W CA 1.774 59.157 57.345 0.063 0.000 1.264 179 W CB -0.164 29.342 29.460 0.077 0.000 1.142 179 W HN 0.036 nan 8.180 nan 0.000 0.512 180 V N -0.191 119.952 119.914 0.381 0.000 2.343 180 V HA -0.372 3.748 4.120 -0.001 0.000 0.247 180 V C 2.169 178.312 176.094 0.080 0.000 1.051 180 V CA 2.430 64.874 62.300 0.241 0.000 1.036 180 V CB -1.316 30.616 31.823 0.181 0.000 0.654 180 V HN 0.321 nan 8.190 nan 0.000 0.451 181 H N 0.570 119.646 119.070 0.010 0.000 2.352 181 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 181 H C 1.996 177.262 175.328 -0.102 0.000 1.097 181 H CA 2.317 58.343 56.048 -0.036 0.000 1.311 181 H CB -0.110 29.640 29.762 -0.020 0.000 1.377 181 H HN 0.419 nan 8.280 nan 0.000 0.504 182 D N -0.751 119.581 120.400 -0.112 0.000 2.162 182 D HA -0.059 4.580 4.640 -0.001 0.000 0.203 182 D C 1.189 177.291 176.300 -0.330 0.000 0.967 182 D CA 0.968 54.833 54.000 -0.226 0.000 0.840 182 D CB -0.009 40.704 40.800 -0.145 0.000 0.972 182 D HN 0.536 nan 8.370 nan 0.000 0.482 183 N N -0.110 118.331 118.700 -0.431 0.000 2.210 183 N HA 0.025 4.764 4.740 -0.001 0.000 0.203 183 N C 1.496 176.913 175.510 -0.155 0.000 1.175 183 N CA -0.156 52.678 53.050 -0.359 0.000 0.894 183 N CB 1.063 39.045 38.487 -0.842 0.000 1.041 183 N HN 0.013 nan 8.380 nan 0.000 0.506 184 I N 3.238 123.735 120.570 -0.122 0.000 2.502 184 I HA -0.283 3.887 4.170 -0.001 0.000 0.258 184 I C 2.622 178.736 176.117 -0.005 0.000 1.172 184 I CA 1.366 62.684 61.300 0.030 0.000 1.430 184 I CB -0.244 37.765 38.000 0.014 0.000 1.086 184 I HN 0.215 nan 8.210 nan 0.000 0.440 185 Q N -0.680 118.935 119.800 -0.310 0.000 2.124 185 Q HA -0.240 4.099 4.340 -0.001 0.000 0.202 185 Q C 1.911 177.697 176.000 -0.356 0.000 0.977 185 Q CA 1.741 57.297 55.803 -0.412 0.000 0.850 185 Q CB -0.937 27.390 28.738 -0.685 0.000 0.901 185 Q HN 0.427 nan 8.270 nan 0.000 0.429 186 F N -0.267 119.667 119.950 -0.027 0.000 2.699 186 F HA 0.088 4.615 4.527 -0.001 0.000 0.298 186 F C 0.829 176.446 175.800 -0.305 0.000 1.154 186 F CA 0.333 58.222 58.000 -0.185 0.000 1.457 186 F CB -0.099 38.717 39.000 -0.306 0.000 1.106 186 F HN 0.003 nan 8.300 nan 0.000 0.585 187 F N -0.646 119.308 119.950 0.006 0.000 2.639 187 F HA 0.432 4.959 4.527 -0.001 0.000 0.302 187 F C 1.706 177.517 175.800 0.018 0.000 1.097 187 F CA 0.108 58.094 58.000 -0.023 0.000 1.294 187 F CB 0.131 39.093 39.000 -0.063 0.000 1.027 187 F HN 0.015 nan 8.300 nan 0.000 0.550 188 G N 0.386 109.268 108.800 0.136 0.000 2.159 188 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.256 188 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.256 188 G C 0.639 175.585 174.900 0.077 0.000 0.977 188 G CA -0.179 44.975 45.100 0.089 0.000 0.652 188 G HN 0.726 nan 8.290 nan 0.000 0.531 189 G N -0.442 108.408 108.800 0.084 0.000 2.420 189 G HA2 0.476 4.436 3.960 -0.001 0.000 0.284 189 G HA3 0.476 4.436 3.960 -0.001 0.000 0.284 189 G C -0.543 174.348 174.900 -0.015 0.000 1.177 189 G CA 0.299 45.430 45.100 0.053 0.000 0.841 189 G HN 0.269 nan 8.290 nan 0.000 0.527 190 D N 2.066 122.459 120.400 -0.012 0.000 2.441 190 D HA 0.227 4.867 4.640 -0.001 0.000 0.221 190 D C -0.803 175.471 176.300 -0.044 0.000 1.156 190 D CA -2.403 51.572 54.000 -0.042 0.000 0.896 190 D CB 1.514 42.298 40.800 -0.027 0.000 1.028 190 D HN 0.094 nan 8.370 nan 0.000 0.509 191 P HA -0.196 nan 4.420 nan 0.000 0.222 191 P C 0.681 177.968 177.300 -0.021 0.000 1.142 191 P CA 0.974 64.024 63.100 -0.082 0.000 0.788 191 P CB -0.006 31.552 31.700 -0.237 0.000 0.767 192 K N -0.973 119.406 120.400 -0.035 0.000 2.444 192 K HA 0.127 4.446 4.320 -0.001 0.000 0.193 192 K C -0.006 176.589 176.600 -0.008 0.000 1.024 192 K CA 0.324 56.603 56.287 -0.013 0.000 1.077 192 K CB -0.291 32.190 32.500 -0.032 0.000 0.833 192 K HN -0.147 nan 8.250 nan 0.000 0.517 193 T N 1.549 116.103 114.554 -0.000 0.000 3.741 193 T HA 0.118 4.468 4.350 -0.001 0.000 0.242 193 T C -0.928 173.789 174.700 0.027 0.000 1.042 193 T CA -0.576 61.522 62.100 -0.003 0.000 1.278 193 T CB 0.847 69.699 68.868 -0.026 0.000 0.994 193 T HN 0.212 nan 8.240 nan 0.000 0.594 194 V N 0.510 120.469 119.914 0.074 0.000 2.427 194 V HA 0.744 4.864 4.120 -0.001 0.000 0.286 194 V C -0.380 175.815 176.094 0.168 0.000 1.034 194 V CA -0.035 62.336 62.300 0.119 0.000 0.893 194 V CB 1.485 33.396 31.823 0.147 0.000 0.982 194 V HN 0.331 nan 8.190 nan 0.000 0.452 195 T N 8.566 123.206 114.554 0.144 0.000 2.758 195 T HA 0.557 4.907 4.350 -0.001 0.000 0.285 195 T C 0.023 174.851 174.700 0.213 0.000 0.981 195 T CA -0.146 62.052 62.100 0.164 0.000 0.965 195 T CB 0.738 69.652 68.868 0.075 0.000 0.927 195 T HN 0.894 nan 8.240 nan 0.000 0.448 196 I N 1.650 122.301 120.570 0.134 0.000 2.440 196 I HA 0.876 5.045 4.170 -0.001 0.000 0.294 196 I C -0.843 175.432 176.117 0.263 0.000 0.995 196 I CA -0.954 60.406 61.300 0.101 0.000 1.306 196 I CB 0.949 38.790 38.000 -0.265 0.000 1.407 196 I HN 0.522 nan 8.210 nan 0.000 0.501 197 F N 2.757 122.715 119.950 0.013 0.000 2.641 197 F HA 0.973 5.500 4.527 -0.001 0.000 0.308 197 F C -0.504 175.266 175.800 -0.049 0.000 1.105 197 F CA -0.979 57.066 58.000 0.075 0.000 0.964 197 F CB 1.167 40.323 39.000 0.260 0.000 1.294 197 F HN 0.854 nan 8.300 nan 0.000 0.442 198 G N 0.909 109.564 108.800 -0.242 0.000 2.600 198 G HA2 0.523 4.482 3.960 -0.001 0.000 0.293 198 G HA3 0.523 4.482 3.960 -0.001 0.000 0.293 198 G C -2.469 172.248 174.900 -0.304 0.000 1.408 198 G CA -0.784 43.822 45.100 -0.822 0.000 0.782 198 G HN 0.856 nan 8.290 nan 0.000 0.482 199 E N 0.041 120.032 120.200 -0.348 0.000 2.266 199 E HA 0.612 4.962 4.350 -0.001 0.000 0.268 199 E C 0.556 177.121 176.600 -0.058 0.000 0.879 199 E CA 0.278 56.680 56.400 0.004 0.000 0.762 199 E CB 2.129 31.977 29.700 0.247 0.000 1.199 199 E HN 0.874 nan 8.360 nan 0.000 0.422 200 S N 2.833 118.565 115.700 0.053 0.000 4.116 200 S HA -0.392 4.078 4.470 -0.001 0.000 0.623 200 S C 1.485 176.184 174.600 0.165 0.000 1.933 200 S CA 2.169 60.468 58.200 0.164 0.000 4.224 200 S CB -1.638 61.594 63.200 0.053 0.000 0.208 200 S HN 1.003 nan 8.310 nan 0.000 0.527 201 A N 0.986 123.806 122.820 0.000 0.000 1.978 201 A HA 0.109 4.429 4.320 -0.001 0.000 0.220 201 A C 2.474 179.843 177.584 -0.358 0.000 1.170 201 A CA 2.562 54.398 52.037 -0.336 0.000 0.636 201 A CB -1.560 16.807 19.000 -1.055 0.000 0.810 201 A HN 1.633 nan 8.150 nan 0.000 0.448 202 G N -0.873 107.752 108.800 -0.291 0.000 2.421 202 G HA2 0.102 4.062 3.960 -0.001 0.000 0.217 202 G HA3 0.102 4.062 3.960 -0.001 0.000 0.217 202 G C 1.438 176.160 174.900 -0.296 0.000 1.143 202 G CA 1.145 46.019 45.100 -0.376 0.000 0.784 202 G HN 0.669 nan 8.290 nan 0.000 0.541 203 G N 1.015 109.706 108.800 -0.182 0.000 2.394 203 G HA2 0.114 4.074 3.960 -0.001 0.000 0.215 203 G HA3 0.114 4.074 3.960 -0.001 0.000 0.215 203 G C 2.019 176.817 174.900 -0.170 0.000 1.165 203 G CA 1.363 46.385 45.100 -0.131 0.000 0.784 203 G HN 0.564 nan 8.290 nan 0.000 0.535 204 A N 0.721 123.464 122.820 -0.129 0.000 1.933 204 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 204 A C 2.676 180.182 177.584 -0.131 0.000 1.175 204 A CA 2.158 54.086 52.037 -0.181 0.000 0.628 204 A CB -0.611 18.296 19.000 -0.155 0.000 0.814 204 A HN 0.293 nan 8.150 nan 0.000 0.444 205 S N -0.463 115.186 115.700 -0.085 0.000 2.353 205 S HA -0.160 4.310 4.470 -0.001 0.000 0.222 205 S C 1.945 176.437 174.600 -0.180 0.000 1.035 205 S CA 1.514 59.633 58.200 -0.134 0.000 1.025 205 S CB -0.540 62.545 63.200 -0.192 0.000 0.902 205 S HN 0.348 nan 8.310 nan 0.000 0.440 206 V N 1.479 121.299 119.914 -0.158 0.000 2.282 206 V HA -0.227 3.893 4.120 -0.001 0.000 0.249 206 V C 2.575 178.583 176.094 -0.143 0.000 1.057 206 V CA 2.120 64.330 62.300 -0.150 0.000 1.032 206 V CB -1.441 30.280 31.823 -0.171 0.000 0.645 206 V HN 0.619 nan 8.190 nan 0.000 0.447 207 G N -1.346 107.323 108.800 -0.217 0.000 2.432 207 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.219 207 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.219 207 G C 1.585 176.452 174.900 -0.055 0.000 1.135 207 G CA 0.930 45.875 45.100 -0.259 0.000 0.767 207 G HN 0.462 nan 8.290 nan 0.000 0.550 208 M N -0.200 119.380 119.600 -0.034 0.000 2.229 208 M HA 0.028 4.507 4.480 -0.001 0.000 0.264 208 M C 2.164 178.551 176.300 0.146 0.000 1.063 208 M CA 0.847 56.254 55.300 0.178 0.000 1.114 208 M CB -0.152 32.572 32.600 0.207 0.000 1.387 208 M HN 0.182 nan 8.290 nan 0.000 0.420 209 H N -0.534 118.634 119.070 0.164 0.000 2.502 209 H HA 0.107 4.662 4.556 -0.001 0.000 0.283 209 H C 2.025 177.533 175.328 0.300 0.000 1.015 209 H CA 1.067 57.209 56.048 0.155 0.000 1.298 209 H CB -0.012 29.763 29.762 0.021 0.000 1.411 209 H HN 0.408 nan 8.280 nan 0.000 0.556 210 I N 0.217 121.029 120.570 0.403 0.000 2.439 210 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 210 I C 2.118 178.460 176.117 0.374 0.000 1.139 210 I CA 0.664 62.258 61.300 0.491 0.000 1.438 210 I CB 0.071 38.300 38.000 0.382 0.000 1.085 210 I HN 0.104 nan 8.210 nan 0.000 0.427 211 L N -0.640 120.769 121.223 0.309 0.000 2.102 211 L HA -0.022 4.317 4.340 -0.001 0.000 0.202 211 L C 1.494 178.474 176.870 0.183 0.000 1.076 211 L CA 0.339 55.365 54.840 0.309 0.000 0.761 211 L CB -0.181 42.092 42.059 0.356 0.000 0.921 211 L HN 0.051 nan 8.230 nan 0.000 0.444 212 S N -0.054 115.666 115.700 0.034 0.000 2.498 212 S HA 0.070 4.539 4.470 -0.001 0.000 0.281 212 S C -1.522 172.962 174.600 -0.193 0.000 1.265 212 S CA -1.280 56.750 58.200 -0.284 0.000 1.071 212 S CB 0.886 63.482 63.200 -1.006 0.000 0.894 212 S HN -0.075 nan 8.310 nan 0.000 0.491 213 P HA -0.047 nan 4.420 nan 0.000 0.216 213 P C 1.436 178.648 177.300 -0.146 0.000 1.150 213 P CA 1.116 64.146 63.100 -0.116 0.000 0.843 213 P CB -0.090 31.550 31.700 -0.099 0.000 0.787 214 G N -1.555 107.109 108.800 -0.226 0.000 2.559 214 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 214 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 214 G C 1.407 176.214 174.900 -0.155 0.000 1.126 214 G CA 0.614 45.598 45.100 -0.195 0.000 0.778 214 G HN 0.232 nan 8.290 nan 0.000 0.543 215 S N -0.254 115.364 115.700 -0.136 0.000 2.514 215 S HA 0.057 4.526 4.470 -0.001 0.000 0.223 215 S C 2.295 176.947 174.600 0.087 0.000 1.046 215 S CA -0.301 57.908 58.200 0.015 0.000 0.914 215 S CB 0.185 63.503 63.200 0.195 0.000 0.807 215 S HN 0.516 nan 8.310 nan 0.000 0.497 216 R N 1.727 122.236 120.500 0.016 0.000 2.193 216 R HA -0.032 4.308 4.340 -0.001 0.000 0.229 216 R C 0.148 176.239 176.300 -0.349 0.000 1.110 216 R CA 1.295 57.309 56.100 -0.143 0.000 0.988 216 R CB -0.731 29.516 30.300 -0.088 0.000 0.871 216 R HN 0.244 nan 8.270 nan 0.000 0.458 217 D N 1.234 121.501 120.400 -0.221 0.000 2.355 217 D HA 0.032 4.672 4.640 -0.001 0.000 0.218 217 D C 1.591 177.734 176.300 -0.262 0.000 1.004 217 D CA 0.532 54.389 54.000 -0.239 0.000 0.880 217 D CB 0.055 40.741 40.800 -0.190 0.000 0.911 217 D HN 0.260 nan 8.370 nan 0.000 0.528 218 L N -0.196 120.906 121.223 -0.200 0.000 2.591 218 L HA 0.167 4.506 4.340 -0.001 0.000 0.228 218 L C 0.033 176.971 176.870 0.113 0.000 1.133 218 L CA -0.039 54.744 54.840 -0.095 0.000 0.880 218 L CB -0.402 41.642 42.059 -0.026 0.000 1.033 218 L HN -0.049 nan 8.230 nan 0.000 0.450 219 F N -3.934 116.006 119.950 -0.017 0.000 2.711 219 F HA 0.583 5.110 4.527 -0.001 0.000 0.313 219 F C 0.401 176.216 175.800 0.025 0.000 1.141 219 F CA -1.304 56.707 58.000 0.018 0.000 0.941 219 F CB 1.200 40.211 39.000 0.018 0.000 1.349 219 F HN -0.392 nan 8.300 nan 0.000 0.464 220 R N 0.540 121.120 120.500 0.135 0.000 2.102 220 R HA 0.500 4.839 4.340 -0.001 0.000 0.208 220 R C -0.089 176.281 176.300 0.115 0.000 1.131 220 R CA 0.774 56.884 56.100 0.016 0.000 1.054 220 R CB 0.339 30.648 30.300 0.016 0.000 0.954 220 R HN 0.761 nan 8.270 nan 0.000 0.465 221 R N -1.051 119.607 120.500 0.263 0.000 2.888 221 R HA 0.769 5.109 4.340 -0.001 0.000 0.264 221 R C -1.487 175.040 176.300 0.379 0.000 1.045 221 R CA -0.726 55.527 56.100 0.254 0.000 0.962 221 R CB 2.247 32.516 30.300 -0.051 0.000 1.210 221 R HN 0.224 nan 8.270 nan 0.000 0.479 222 A N 1.406 124.441 122.820 0.358 0.000 2.486 222 A HA 0.691 5.010 4.320 -0.001 0.000 0.300 222 A C -1.196 176.481 177.584 0.154 0.000 1.048 222 A CA -0.600 51.563 52.037 0.210 0.000 0.696 222 A CB 1.227 20.295 19.000 0.114 0.000 1.278 222 A HN 0.579 nan 8.150 nan 0.000 0.405 223 I N 1.829 122.454 120.570 0.092 0.000 2.466 223 I HA 0.397 4.567 4.170 -0.001 0.000 0.289 223 I C -1.479 174.682 176.117 0.072 0.000 1.026 223 I CA -0.554 60.740 61.300 -0.010 0.000 1.078 223 I CB 1.994 39.941 38.000 -0.088 0.000 1.249 223 I HN 0.453 nan 8.210 nan 0.000 0.429 224 L N 6.726 127.958 121.223 0.014 0.000 2.342 224 L HA 0.446 4.785 4.340 -0.001 0.000 0.276 224 L C -0.553 176.385 176.870 0.114 0.000 0.997 224 L CA -0.253 54.596 54.840 0.015 0.000 0.838 224 L CB 1.535 43.532 42.059 -0.104 0.000 1.224 224 L HN 0.484 nan 8.230 nan 0.000 0.416 225 Q N 1.928 121.855 119.800 0.211 0.000 2.347 225 Q HA 0.488 4.828 4.340 -0.001 0.000 0.262 225 Q C 0.039 176.159 176.000 0.201 0.000 0.980 225 Q CA -0.621 55.374 55.803 0.321 0.000 0.867 225 Q CB 1.538 30.571 28.738 0.491 0.000 1.242 225 Q HN 0.622 nan 8.270 nan 0.000 0.453 226 S N 0.976 116.786 115.700 0.183 0.000 3.631 226 S HA -0.156 4.313 4.470 -0.001 0.000 0.366 226 S C 0.018 174.758 174.600 0.233 0.000 0.993 226 S CA 0.575 58.903 58.200 0.213 0.000 1.167 226 S CB -1.181 62.181 63.200 0.269 0.000 0.909 226 S HN 1.002 nan 8.310 nan 0.000 0.478 227 G N -0.373 108.501 108.800 0.123 0.000 2.596 227 G HA2 0.617 4.576 3.960 -0.001 0.000 0.296 227 G HA3 0.617 4.576 3.960 -0.001 0.000 0.296 227 G C -1.020 173.815 174.900 -0.108 0.000 1.513 227 G CA 0.123 45.292 45.100 0.115 0.000 0.851 227 G HN 1.145 nan 8.290 nan 0.000 0.548 228 S N 0.978 116.530 115.700 -0.246 0.000 2.550 228 S HA 0.771 5.241 4.470 -0.001 0.000 0.270 228 S C -2.066 172.226 174.600 -0.514 0.000 1.145 228 S CA -0.993 56.903 58.200 -0.507 0.000 0.852 228 S CB 2.977 65.866 63.200 -0.518 0.000 1.119 228 S HN 0.475 nan 8.310 nan 0.000 0.465 229 P HA -0.155 nan 4.420 nan 0.000 0.216 229 P C 0.670 177.724 177.300 -0.409 0.000 1.150 229 P CA 1.466 64.314 63.100 -0.420 0.000 0.837 229 P CB -0.342 31.164 31.700 -0.323 0.000 0.786 230 N N -0.597 117.903 118.700 -0.334 0.000 2.501 230 N HA -0.040 4.700 4.740 -0.001 0.000 0.195 230 N C 0.023 175.308 175.510 -0.374 0.000 1.213 230 N CA -0.113 52.777 53.050 -0.267 0.000 0.864 230 N CB -1.596 36.853 38.487 -0.064 0.000 0.999 230 N HN 0.053 nan 8.380 nan 0.000 0.454 231 C N 3.083 122.045 119.300 -0.563 0.000 2.634 231 C HA 0.074 4.534 4.460 -0.001 0.000 0.418 231 C C -0.167 174.344 174.990 -0.798 0.000 1.373 231 C CA -0.990 57.553 59.018 -0.791 0.000 1.756 231 C CB 0.891 27.831 27.740 -1.334 0.000 2.589 231 C HN 0.378 nan 8.230 nan 0.000 0.602 232 P HA -0.141 nan 4.420 nan 0.000 0.218 232 P C 1.198 178.305 177.300 -0.322 0.000 1.146 232 P CA 1.954 64.787 63.100 -0.445 0.000 0.813 232 P CB -0.106 31.337 31.700 -0.428 0.000 0.778 233 W N -1.437 119.733 121.300 -0.217 0.000 3.114 233 W HA 0.569 5.228 4.660 -0.000 0.000 0.279 233 W C 1.222 177.795 176.519 0.090 0.000 1.277 233 W CA 0.366 57.660 57.345 -0.085 0.000 1.630 233 W CB -1.064 28.377 29.460 -0.032 0.000 1.087 233 W HN -0.107 nan 8.180 nan 0.000 0.637 234 A N 1.339 123.868 122.820 -0.485 0.000 2.218 234 A HA 0.206 4.526 4.320 -0.001 0.000 0.209 234 A C 0.978 178.367 177.584 -0.326 0.000 1.168 234 A CA 1.044 52.888 52.037 -0.322 0.000 0.804 234 A CB -0.529 18.001 19.000 -0.784 0.000 0.834 234 A HN 0.215 nan 8.150 nan 0.000 0.482 235 S N -1.617 113.895 115.700 -0.313 0.000 2.588 235 S HA 0.665 5.135 4.470 -0.001 0.000 0.269 235 S C -0.837 173.626 174.600 -0.228 0.000 1.157 235 S CA -0.039 57.970 58.200 -0.320 0.000 0.824 235 S CB 1.325 64.272 63.200 -0.422 0.000 1.126 235 S HN 1.348 nan 8.310 nan 0.000 0.464 236 V N -0.901 118.899 119.914 -0.189 0.000 3.159 236 V HA 0.928 5.048 4.120 -0.001 0.000 0.308 236 V C 0.151 176.171 176.094 -0.124 0.000 1.190 236 V CA -0.440 61.774 62.300 -0.143 0.000 1.037 236 V CB 1.079 32.833 31.823 -0.114 0.000 1.060 236 V HN 1.532 nan 8.190 nan 0.000 0.437 237 S N 0.702 116.339 115.700 -0.105 0.000 2.608 237 S HA 0.365 4.834 4.470 -0.001 0.000 0.261 237 S C 1.330 175.882 174.600 -0.080 0.000 1.314 237 S CA 0.046 58.190 58.200 -0.094 0.000 0.992 237 S CB 1.249 64.403 63.200 -0.077 0.000 0.935 237 S HN 2.139 nan 8.310 nan 0.000 0.564 238 V N -1.175 118.682 119.914 -0.095 0.000 2.427 238 V HA 0.013 4.133 4.120 -0.001 0.000 0.248 238 V C 2.617 178.693 176.094 -0.030 0.000 1.051 238 V CA 1.644 63.895 62.300 -0.080 0.000 1.048 238 V CB -2.052 29.656 31.823 -0.193 0.000 0.666 238 V HN 1.012 nan 8.190 nan 0.000 0.456 239 A N 0.572 123.371 122.820 -0.035 0.000 1.883 239 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 239 A C 2.211 179.776 177.584 -0.032 0.000 1.186 239 A CA 2.211 54.235 52.037 -0.021 0.000 0.624 239 A CB -0.732 18.255 19.000 -0.021 0.000 0.822 239 A HN 0.625 nan 8.150 nan 0.000 0.444 240 E N 0.081 120.251 120.200 -0.050 0.000 2.106 240 E HA -0.034 4.316 4.350 -0.001 0.000 0.192 240 E C 2.003 178.562 176.600 -0.068 0.000 0.984 240 E CA 1.485 57.842 56.400 -0.071 0.000 0.806 240 E CB -0.874 28.774 29.700 -0.087 0.000 0.750 240 E HN 0.403 nan 8.360 nan 0.000 0.458 241 G N 0.790 109.564 108.800 -0.042 0.000 2.459 241 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.217 241 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.217 241 G C 1.764 176.672 174.900 0.014 0.000 1.183 241 G CA 0.992 46.089 45.100 -0.004 0.000 0.776 241 G HN 0.344 nan 8.290 nan 0.000 0.552 242 R N 0.213 120.719 120.500 0.009 0.000 2.082 242 R HA -0.067 4.272 4.340 -0.001 0.000 0.234 242 R C 2.603 178.900 176.300 -0.005 0.000 1.136 242 R CA 1.617 57.723 56.100 0.011 0.000 0.935 242 R CB -0.451 29.861 30.300 0.019 0.000 0.842 242 R HN 0.259 nan 8.270 nan 0.000 0.430 243 R N 0.646 121.133 120.500 -0.022 0.000 2.119 243 R HA -0.194 4.146 4.340 -0.001 0.000 0.246 243 R C 2.102 178.375 176.300 -0.045 0.000 1.146 243 R CA 2.153 58.231 56.100 -0.037 0.000 0.962 243 R CB -0.166 30.101 30.300 -0.055 0.000 0.863 243 R HN 0.338 nan 8.270 nan 0.000 0.442 244 R N -0.615 119.850 120.500 -0.058 0.000 2.153 244 R HA 0.031 4.371 4.340 -0.001 0.000 0.218 244 R C 2.302 178.636 176.300 0.057 0.000 1.072 244 R CA 0.956 57.010 56.100 -0.076 0.000 0.990 244 R CB -0.154 30.006 30.300 -0.233 0.000 0.889 244 R HN 0.236 nan 8.270 nan 0.000 0.452 245 A N 0.721 123.599 122.820 0.096 0.000 1.873 245 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 245 A C 2.283 179.874 177.584 0.012 0.000 1.186 245 A CA 1.233 53.320 52.037 0.082 0.000 0.616 245 A CB -0.498 18.497 19.000 -0.009 0.000 0.823 245 A HN 0.090 nan 8.150 nan 0.000 0.442 246 V N 0.083 119.997 119.914 -0.001 0.000 2.343 246 V HA -0.236 3.883 4.120 -0.001 0.000 0.247 246 V C 2.603 178.698 176.094 0.002 0.000 1.051 246 V CA 2.391 64.687 62.300 -0.007 0.000 1.036 246 V CB -0.763 31.055 31.823 -0.009 0.000 0.654 246 V HN 0.631 nan 8.190 nan 0.000 0.451 247 E N 0.191 120.393 120.200 0.004 0.000 2.110 247 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 247 E C 1.907 178.524 176.600 0.028 0.000 0.988 247 E CA 1.140 57.542 56.400 0.004 0.000 0.804 247 E CB -0.462 29.225 29.700 -0.021 0.000 0.745 247 E HN 0.443 nan 8.360 nan 0.000 0.458 248 L N -0.169 121.091 121.223 0.062 0.000 1.989 248 L HA -0.034 4.305 4.340 -0.001 0.000 0.211 248 L C 2.199 179.089 176.870 0.033 0.000 1.071 248 L CA 2.487 57.380 54.840 0.088 0.000 0.749 248 L CB -1.143 41.002 42.059 0.144 0.000 0.890 248 L HN 0.233 nan 8.230 nan 0.000 0.431 249 G N -0.925 107.879 108.800 0.007 0.000 2.469 249 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.219 249 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.219 249 G C 1.810 176.719 174.900 0.014 0.000 1.150 249 G CA 0.873 45.974 45.100 0.002 0.000 0.763 249 G HN 0.431 nan 8.290 nan 0.000 0.561 250 R N 0.473 120.981 120.500 0.015 0.000 2.159 250 R HA -0.032 4.307 4.340 -0.001 0.000 0.237 250 R C 2.122 178.436 176.300 0.023 0.000 1.131 250 R CA 1.232 57.342 56.100 0.017 0.000 0.982 250 R CB -0.312 29.995 30.300 0.012 0.000 0.868 250 R HN 0.375 nan 8.270 nan 0.000 0.453 251 N N 0.119 118.836 118.700 0.029 0.000 2.409 251 N HA -0.083 4.656 4.740 -0.001 0.000 0.179 251 N C 0.976 176.509 175.510 0.039 0.000 1.032 251 N CA 0.744 53.816 53.050 0.038 0.000 0.898 251 N CB 0.203 38.719 38.487 0.049 0.000 0.971 251 N HN 0.247 nan 8.380 nan 0.000 0.441 252 L N 0.883 122.127 121.223 0.034 0.000 2.700 252 L HA 0.187 4.527 4.340 -0.001 0.000 0.234 252 L C -0.316 176.573 176.870 0.032 0.000 1.156 252 L CA -0.096 54.764 54.840 0.034 0.000 0.946 252 L CB -0.078 42.000 42.059 0.031 0.000 1.216 252 L HN 0.043 nan 8.230 nan 0.000 0.493 253 N N -0.904 117.814 118.700 0.029 0.000 2.738 253 N HA -0.176 4.563 4.740 -0.001 0.000 0.249 253 N C -0.361 175.167 175.510 0.030 0.000 1.047 253 N CA 0.472 53.538 53.050 0.028 0.000 0.707 253 N CB -2.102 36.403 38.487 0.029 0.000 0.937 253 N HN 0.250 nan 8.380 nan 0.000 0.545 254 c N 0.927 119.544 118.600 0.028 0.000 2.398 254 c HA 0.287 4.857 4.570 -0.001 0.000 0.364 254 c C 1.327 175.435 174.090 0.030 0.000 1.219 254 c CA -0.966 55.382 56.329 0.032 0.000 2.312 254 c CB 1.147 43.673 42.510 0.027 0.000 2.428 254 c HN 0.408 nan 8.230 nan 0.000 0.564 255 N N 1.823 120.546 118.700 0.037 0.000 2.468 255 N HA 0.088 4.827 4.740 -0.001 0.000 0.265 255 N C -0.019 175.506 175.510 0.024 0.000 1.199 255 N CA 0.346 53.414 53.050 0.030 0.000 0.928 255 N CB 0.426 38.935 38.487 0.037 0.000 1.059 255 N HN 0.618 nan 8.380 nan 0.000 0.467 256 L N 2.895 124.127 121.223 0.016 0.000 2.818 256 L HA 0.214 4.553 4.340 -0.001 0.000 0.243 256 L C 1.252 178.127 176.870 0.007 0.000 1.185 256 L CA -0.326 54.520 54.840 0.010 0.000 0.988 256 L CB -0.113 41.950 42.059 0.007 0.000 1.292 256 L HN 0.406 nan 8.230 nan 0.000 0.519 257 N N 0.745 119.450 118.700 0.009 0.000 2.309 257 N HA -0.068 4.672 4.740 -0.001 0.000 0.182 257 N C 0.692 176.205 175.510 0.004 0.000 1.018 257 N CA 0.882 53.936 53.050 0.006 0.000 0.876 257 N CB 0.237 38.727 38.487 0.005 0.000 0.972 257 N HN 0.478 nan 8.380 nan 0.000 0.434 258 S N -1.565 114.138 115.700 0.005 0.000 2.565 258 S HA 0.300 4.769 4.470 -0.001 0.000 0.269 258 S C -0.182 174.421 174.600 0.005 0.000 1.153 258 S CA -0.867 57.335 58.200 0.004 0.000 0.835 258 S CB 1.640 64.842 63.200 0.003 0.000 1.122 258 S HN -0.248 nan 8.310 nan 0.000 0.462 259 D N 1.225 121.625 120.400 0.000 0.000 2.158 259 D HA -0.089 4.551 4.640 -0.001 0.000 0.197 259 D C 1.467 177.775 176.300 0.012 0.000 0.995 259 D CA 1.866 55.863 54.000 -0.004 0.000 0.846 259 D CB -0.147 40.647 40.800 -0.009 0.000 0.941 259 D HN 0.690 nan 8.370 nan 0.000 0.456 260 E N 0.477 120.690 120.200 0.022 0.000 2.072 260 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 260 E C 1.975 178.617 176.600 0.070 0.000 0.985 260 E CA 0.797 57.223 56.400 0.043 0.000 0.801 260 E CB -0.225 29.489 29.700 0.023 0.000 0.750 260 E HN 0.232 nan 8.360 nan 0.000 0.452 261 E N 0.090 120.317 120.200 0.044 0.000 2.051 261 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 261 E C 1.763 178.411 176.600 0.080 0.000 0.991 261 E CA 0.566 56.999 56.400 0.055 0.000 0.799 261 E CB -0.234 29.482 29.700 0.027 0.000 0.748 261 E HN 0.140 nan 8.360 nan 0.000 0.449 262 L N 0.532 121.780 121.223 0.042 0.000 1.976 262 L HA -0.107 4.232 4.340 -0.001 0.000 0.209 262 L C 2.101 178.983 176.870 0.021 0.000 1.071 262 L CA 1.723 56.573 54.840 0.017 0.000 0.746 262 L CB -0.782 41.264 42.059 -0.021 0.000 0.890 262 L HN 0.256 nan 8.230 nan 0.000 0.432 263 I N -0.847 119.735 120.570 0.021 0.000 2.208 263 I HA -0.348 3.821 4.170 -0.001 0.000 0.245 263 I C 2.620 178.814 176.117 0.129 0.000 1.097 263 I CA 1.603 62.934 61.300 0.052 0.000 1.363 263 I CB -0.733 37.306 38.000 0.064 0.000 1.051 263 I HN 0.482 nan 8.210 nan 0.000 0.413 264 H N 0.507 119.613 119.070 0.062 0.000 2.387 264 H HA -0.247 4.309 4.556 -0.001 0.000 0.299 264 H C 2.412 177.779 175.328 0.065 0.000 1.090 264 H CA 2.157 58.242 56.048 0.062 0.000 1.332 264 H CB -0.090 29.696 29.762 0.039 0.000 1.386 264 H HN 0.513 nan 8.280 nan 0.000 0.516 265 c N 0.761 119.395 118.600 0.057 0.000 2.453 265 c HA -0.043 4.527 4.570 -0.001 0.000 0.277 265 c C 3.047 177.138 174.090 0.001 0.000 1.262 265 c CA 0.593 56.936 56.329 0.023 0.000 1.718 265 c CB -1.347 41.208 42.510 0.075 0.000 2.031 265 c HN 0.574 nan 8.230 nan 0.000 0.480 266 L N 0.511 121.769 121.223 0.057 0.000 2.127 266 L HA -0.136 4.203 4.340 -0.001 0.000 0.211 266 L C 2.928 179.894 176.870 0.160 0.000 1.089 266 L CA 1.549 56.469 54.840 0.134 0.000 0.757 266 L CB -0.675 41.476 42.059 0.153 0.000 0.899 266 L HN 0.392 nan 8.230 nan 0.000 0.434 267 R N -0.550 120.008 120.500 0.097 0.000 2.236 267 R HA -0.070 4.269 4.340 -0.001 0.000 0.208 267 R C 1.789 178.031 176.300 -0.097 0.000 1.036 267 R CA 0.443 56.523 56.100 -0.033 0.000 1.001 267 R CB 0.014 30.279 30.300 -0.059 0.000 0.896 267 R HN 0.275 nan 8.270 nan 0.000 0.464 268 E N 0.761 120.885 120.200 -0.126 0.000 2.371 268 E HA 0.012 4.362 4.350 -0.001 0.000 0.194 268 E C 0.113 176.694 176.600 -0.031 0.000 1.012 268 E CA 0.685 57.023 56.400 -0.103 0.000 0.860 268 E CB 0.221 29.849 29.700 -0.119 0.000 0.811 268 E HN 0.062 nan 8.360 nan 0.000 0.502 269 K N 1.430 121.826 120.400 -0.005 0.000 2.237 269 K HA 0.186 4.506 4.320 -0.001 0.000 0.270 269 K C 0.354 176.979 176.600 0.042 0.000 1.015 269 K CA -0.159 56.143 56.287 0.025 0.000 0.949 269 K CB 0.878 33.400 32.500 0.037 0.000 0.976 269 K HN -0.112 nan 8.250 nan 0.000 0.472 270 K N 2.299 122.732 120.400 0.054 0.000 2.202 270 K HA 0.070 4.389 4.320 -0.001 0.000 0.264 270 K C -1.581 175.099 176.600 0.133 0.000 1.010 270 K CA -1.582 54.747 56.287 0.070 0.000 0.940 270 K CB 0.257 32.789 32.500 0.054 0.000 0.983 270 K HN 0.169 nan 8.250 nan 0.000 0.475 271 P HA -0.261 nan 4.420 nan 0.000 0.215 271 P C 1.034 178.531 177.300 0.329 0.000 1.163 271 P CA 1.303 64.625 63.100 0.370 0.000 0.894 271 P CB 0.225 31.998 31.700 0.122 0.000 0.791 272 Q N -0.094 119.819 119.800 0.188 0.000 2.368 272 Q HA -0.198 4.141 4.340 -0.001 0.000 0.210 272 Q C 1.752 177.843 176.000 0.151 0.000 0.982 272 Q CA 1.599 57.501 55.803 0.165 0.000 0.884 272 Q CB -0.820 27.983 28.738 0.109 0.000 0.933 272 Q HN 0.407 nan 8.270 nan 0.000 0.460 273 E N -1.277 118.999 120.200 0.127 0.000 2.158 273 E HA -0.111 4.239 4.350 -0.001 0.000 0.191 273 E C 1.470 178.126 176.600 0.093 0.000 0.982 273 E CA 0.568 57.027 56.400 0.099 0.000 0.823 273 E CB 0.081 29.825 29.700 0.074 0.000 0.766 273 E HN 0.217 nan 8.360 nan 0.000 0.468 274 L N 0.686 121.958 121.223 0.083 0.000 2.044 274 L HA -0.096 4.244 4.340 -0.001 0.000 0.205 274 L C 2.205 179.115 176.870 0.067 0.000 1.075 274 L CA 1.381 56.221 54.840 0.001 0.000 0.747 274 L CB -0.414 41.526 42.059 -0.199 0.000 0.903 274 L HN 0.122 nan 8.230 nan 0.000 0.435 275 I N -0.418 120.257 120.570 0.175 0.000 2.335 275 I HA -0.294 3.876 4.170 -0.001 0.000 0.251 275 I C 1.880 178.155 176.117 0.262 0.000 1.129 275 I CA 1.015 62.470 61.300 0.259 0.000 1.402 275 I CB -0.368 37.840 38.000 0.347 0.000 1.069 275 I HN 0.264 nan 8.210 nan 0.000 0.424 276 D N 0.250 120.778 120.400 0.213 0.000 2.178 276 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 276 D C 1.990 178.412 176.300 0.203 0.000 0.980 276 D CA 1.475 55.602 54.000 0.212 0.000 0.842 276 D CB 0.061 40.953 40.800 0.154 0.000 0.948 276 D HN 0.374 nan 8.370 nan 0.000 0.472 277 V N -2.319 117.690 119.914 0.159 0.000 3.578 277 V HA 0.194 4.314 4.120 -0.001 0.000 0.290 277 V C 1.779 177.952 176.094 0.132 0.000 1.376 277 V CA 0.076 62.461 62.300 0.141 0.000 1.083 277 V CB 0.275 32.158 31.823 0.100 0.000 0.911 277 V HN -0.048 nan 8.190 nan 0.000 0.433 278 E N 0.947 121.216 120.200 0.115 0.000 2.086 278 E HA -0.300 4.050 4.350 -0.001 0.000 0.205 278 E C 1.574 178.081 176.600 -0.155 0.000 1.027 278 E CA 2.893 59.309 56.400 0.025 0.000 0.830 278 E CB -0.271 29.354 29.700 -0.125 0.000 0.751 278 E HN 0.820 nan 8.360 nan 0.000 0.456 279 W N 0.662 121.962 121.300 0.001 0.000 2.699 279 W HA 0.006 4.666 4.660 -0.001 0.000 0.249 279 W C 1.704 178.187 176.519 -0.061 0.000 1.280 279 W CA 0.130 57.429 57.345 -0.077 0.000 1.345 279 W CB -0.076 29.310 29.460 -0.124 0.000 1.128 279 W HN 0.107 nan 8.180 nan 0.000 0.642 280 N N 0.209 118.992 118.700 0.138 0.000 2.573 280 N HA -0.105 4.634 4.740 -0.001 0.000 0.187 280 N C 1.700 177.214 175.510 0.008 0.000 1.107 280 N CA 1.449 54.546 53.050 0.078 0.000 0.918 280 N CB -0.489 38.042 38.487 0.074 0.000 0.966 280 N HN 0.271 nan 8.380 nan 0.000 0.448 281 V N -2.498 117.386 119.914 -0.050 0.000 3.650 281 V HA 0.254 4.373 4.120 -0.001 0.000 0.271 281 V C 0.771 176.757 176.094 -0.180 0.000 1.281 281 V CA -0.138 62.090 62.300 -0.120 0.000 1.120 281 V CB -0.527 31.201 31.823 -0.160 0.000 0.856 281 V HN -0.021 nan 8.190 nan 0.000 0.443 282 L N 2.548 123.680 121.223 -0.151 0.000 2.525 282 L HA 0.168 4.507 4.340 -0.001 0.000 0.278 282 L C -0.326 176.399 176.870 -0.243 0.000 1.218 282 L CA -0.674 54.061 54.840 -0.175 0.000 0.878 282 L CB 0.570 42.595 42.059 -0.056 0.000 1.127 282 L HN 0.180 nan 8.230 nan 0.000 0.492 283 P HA -0.034 nan 4.420 nan 0.000 0.227 283 P C -0.194 176.621 177.300 -0.809 0.000 1.161 283 P CA 1.067 63.737 63.100 -0.717 0.000 0.788 283 P CB 0.319 31.377 31.700 -1.071 0.000 0.822 284 F N -0.538 119.414 119.950 0.003 0.000 2.654 284 F HA 0.439 4.965 4.527 -0.001 0.000 0.334 284 F C 0.359 176.169 175.800 0.018 0.000 1.078 284 F CA -1.820 56.188 58.000 0.014 0.000 0.986 284 F CB -0.146 38.868 39.000 0.023 0.000 1.362 284 F HN -0.369 nan 8.300 nan 0.000 0.498 285 D N 0.998 121.544 120.400 0.243 0.000 2.325 285 D HA 0.441 5.081 4.640 -0.001 0.000 0.251 285 D C -0.803 175.582 176.300 0.141 0.000 1.196 285 D CA 0.338 54.419 54.000 0.135 0.000 0.866 285 D CB 0.512 41.371 40.800 0.099 0.000 1.101 285 D HN 0.620 nan 8.370 nan 0.000 0.476 286 S N 3.151 118.919 115.700 0.113 0.000 2.596 286 S HA 0.568 5.038 4.470 -0.001 0.000 0.270 286 S C -0.721 173.923 174.600 0.073 0.000 1.155 286 S CA -1.044 57.220 58.200 0.107 0.000 0.827 286 S CB 1.147 64.439 63.200 0.154 0.000 1.130 286 S HN 0.451 nan 8.310 nan 0.000 0.467 287 I N 1.278 121.894 120.570 0.078 0.000 2.603 287 I HA 0.606 4.776 4.170 -0.001 0.000 0.300 287 I C -0.791 175.395 176.117 0.115 0.000 1.017 287 I CA -0.901 60.457 61.300 0.096 0.000 1.098 287 I CB 1.342 39.400 38.000 0.096 0.000 1.279 287 I HN 0.935 nan 8.210 nan 0.000 0.437 288 F N 5.255 125.134 119.950 -0.118 0.000 3.071 288 F HA -0.211 4.316 4.527 -0.001 0.000 0.295 288 F C -0.653 174.664 175.800 -0.806 0.000 0.919 288 F CA 0.455 58.154 58.000 -0.503 0.000 1.050 288 F CB -0.684 37.942 39.000 -0.624 0.000 1.040 288 F HN 0.493 nan 8.300 nan 0.000 0.692 289 R N 0.504 120.611 120.500 -0.654 0.000 2.673 289 R HA 0.664 5.003 4.340 -0.001 0.000 0.281 289 R C -1.047 174.852 176.300 -0.669 0.000 0.991 289 R CA -0.564 55.168 56.100 -0.612 0.000 0.896 289 R CB 1.445 31.667 30.300 -0.131 0.000 1.201 289 R HN -0.005 nan 8.270 nan 0.000 0.457 290 F N -0.779 119.298 119.950 0.212 0.000 2.563 290 F HA 0.373 4.900 4.527 -0.001 0.000 0.316 290 F C 1.548 177.266 175.800 -0.136 0.000 1.076 290 F CA -0.895 57.144 58.000 0.064 0.000 0.921 290 F CB 1.686 40.852 39.000 0.276 0.000 1.209 290 F HN 0.352 nan 8.300 nan 0.000 0.462 291 S N 0.638 116.175 115.700 -0.272 0.000 2.351 291 S HA -0.102 4.368 4.470 -0.001 0.000 0.220 291 S C 0.127 174.262 174.600 -0.775 0.000 1.035 291 S CA 1.368 59.183 58.200 -0.643 0.000 1.031 291 S CB -0.301 62.303 63.200 -0.993 0.000 0.928 291 S HN 0.360 nan 8.310 nan 0.000 0.433 292 F N 1.745 121.715 119.950 0.034 0.000 2.325 292 F HA 0.555 5.081 4.527 -0.001 0.000 0.369 292 F C 0.054 175.888 175.800 0.058 0.000 1.095 292 F CA -0.989 57.071 58.000 0.100 0.000 1.082 292 F CB 0.978 40.077 39.000 0.165 0.000 1.289 292 F HN -0.069 nan 8.300 nan 0.000 0.462 293 V N 0.568 120.471 119.914 -0.019 0.000 3.158 293 V HA 0.760 4.880 4.120 -0.001 0.000 0.311 293 V C -2.838 172.940 176.094 -0.527 0.000 1.181 293 V CA -3.335 58.630 62.300 -0.559 0.000 1.054 293 V CB 1.960 33.626 31.823 -0.261 0.000 1.085 293 V HN 0.193 nan 8.190 nan 0.000 0.446 294 P HA 0.147 nan 4.420 nan 0.000 0.266 294 P C -0.708 176.503 177.300 -0.149 0.000 1.186 294 P CA 0.485 63.383 63.100 -0.337 0.000 0.767 294 P CB 0.586 32.037 31.700 -0.415 0.000 0.820 295 V N 4.817 124.741 119.914 0.016 0.000 2.555 295 V HA 0.327 4.447 4.120 -0.001 0.000 0.302 295 V C -0.313 175.838 176.094 0.095 0.000 1.038 295 V CA -0.972 61.331 62.300 0.006 0.000 0.887 295 V CB 1.342 33.182 31.823 0.029 0.000 0.991 295 V HN 0.209 nan 8.190 nan 0.000 0.434 296 I N 7.127 127.686 120.570 -0.018 0.000 2.349 296 I HA 0.217 4.386 4.170 -0.001 0.000 0.302 296 I C 0.892 177.014 176.117 0.007 0.000 1.180 296 I CA 0.190 61.502 61.300 0.020 0.000 1.405 296 I CB -0.088 37.842 38.000 -0.117 0.000 1.474 296 I HN 0.828 nan 8.210 nan 0.000 0.632 297 D N 2.951 123.404 120.400 0.088 0.000 2.360 297 D HA 0.090 4.729 4.640 -0.001 0.000 0.210 297 D C 1.398 177.689 176.300 -0.015 0.000 1.047 297 D CA 0.658 54.605 54.000 -0.090 0.000 0.854 297 D CB 0.528 41.366 40.800 0.063 0.000 0.936 297 D HN 0.621 nan 8.370 nan 0.000 0.514 298 G N 0.364 109.217 108.800 0.088 0.000 2.199 298 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.254 298 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.254 298 G C 0.802 175.773 174.900 0.119 0.000 0.982 298 G CA 0.598 45.757 45.100 0.099 0.000 0.632 298 G HN 0.472 nan 8.290 nan 0.000 0.529 299 E N -1.276 119.009 120.200 0.143 0.000 2.357 299 E HA 0.413 4.762 4.350 -0.001 0.000 0.190 299 E C 1.808 178.434 176.600 0.044 0.000 1.022 299 E CA -0.131 56.330 56.400 0.101 0.000 1.068 299 E CB -0.103 29.675 29.700 0.131 0.000 1.465 299 E HN 0.187 nan 8.360 nan 0.000 0.503 300 F N 1.067 120.945 119.950 -0.121 0.000 2.126 300 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 300 F C 0.259 175.785 175.800 -0.457 0.000 1.096 300 F CA 1.198 58.990 58.000 -0.346 0.000 1.255 300 F CB 0.211 38.912 39.000 -0.499 0.000 0.997 300 F HN -0.112 nan 8.300 nan 0.000 0.479 301 F N 0.914 121.010 119.950 0.242 0.000 2.332 301 F HA 0.350 4.876 4.527 -0.001 0.000 0.368 301 F C -1.608 174.228 175.800 0.061 0.000 1.110 301 F CA -2.938 55.139 58.000 0.129 0.000 1.087 301 F CB 0.474 39.546 39.000 0.121 0.000 1.235 301 F HN -0.217 nan 8.300 nan 0.000 0.470 302 P HA -0.114 nan 4.420 nan 0.000 0.215 302 P C 0.524 177.881 177.300 0.095 0.000 1.157 302 P CA 1.753 64.910 63.100 0.095 0.000 0.874 302 P CB 0.186 31.918 31.700 0.053 0.000 0.790 303 T N -5.935 108.682 114.554 0.105 0.000 2.669 303 T HA 0.480 4.829 4.350 -0.001 0.000 0.283 303 T C -0.251 174.484 174.700 0.057 0.000 1.019 303 T CA -0.638 61.501 62.100 0.065 0.000 1.039 303 T CB 0.802 69.695 68.868 0.041 0.000 1.374 303 T HN -0.014 nan 8.240 nan 0.000 0.523 304 S N 0.197 115.906 115.700 0.015 0.000 2.563 304 S HA 0.148 4.617 4.470 -0.001 0.000 0.284 304 S C 1.565 176.154 174.600 -0.018 0.000 1.331 304 S CA -0.672 57.512 58.200 -0.025 0.000 1.047 304 S CB -0.417 62.764 63.200 -0.032 0.000 0.859 304 S HN 0.667 nan 8.310 nan 0.000 0.514 305 L N 0.713 121.885 121.223 -0.086 0.000 2.079 305 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 305 L C 2.907 179.794 176.870 0.029 0.000 1.081 305 L CA 1.997 56.802 54.840 -0.059 0.000 0.752 305 L CB -0.797 41.160 42.059 -0.171 0.000 0.896 305 L HN 0.791 nan 8.230 nan 0.000 0.433 306 E N 0.669 120.883 120.200 0.023 0.000 2.051 306 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 306 E C 2.274 178.922 176.600 0.081 0.000 0.991 306 E CA 1.749 58.197 56.400 0.079 0.000 0.799 306 E CB -0.093 29.643 29.700 0.059 0.000 0.748 306 E HN 0.491 nan 8.360 nan 0.000 0.449 307 S N 0.014 115.745 115.700 0.050 0.000 2.368 307 S HA -0.215 4.255 4.470 -0.001 0.000 0.225 307 S C 2.179 176.810 174.600 0.052 0.000 1.030 307 S CA 1.503 59.731 58.200 0.045 0.000 0.999 307 S CB -0.500 62.716 63.200 0.027 0.000 0.844 307 S HN 0.245 nan 8.310 nan 0.000 0.459 308 M N 1.157 120.799 119.600 0.071 0.000 2.082 308 M HA -0.065 4.415 4.480 -0.001 0.000 0.258 308 M C 2.326 178.729 176.300 0.172 0.000 1.069 308 M CA 1.584 56.946 55.300 0.102 0.000 1.102 308 M CB -0.828 31.864 32.600 0.154 0.000 1.336 308 M HN 0.303 nan 8.290 nan 0.000 0.404 309 L N -0.207 121.136 121.223 0.199 0.000 2.046 309 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 309 L C 2.316 179.309 176.870 0.205 0.000 1.077 309 L CA 0.911 55.904 54.840 0.255 0.000 0.747 309 L CB -0.832 41.305 42.059 0.131 0.000 0.896 309 L HN 0.372 nan 8.230 nan 0.000 0.432 310 N N -0.045 118.731 118.700 0.126 0.000 2.084 310 N HA -0.154 4.586 4.740 -0.001 0.000 0.190 310 N C 2.002 177.554 175.510 0.070 0.000 1.030 310 N CA 1.898 55.020 53.050 0.121 0.000 0.849 310 N CB -0.214 38.332 38.487 0.097 0.000 1.012 310 N HN 0.351 nan 8.380 nan 0.000 0.423 311 S N -0.964 114.709 115.700 -0.045 0.000 2.522 311 S HA 0.169 4.638 4.470 -0.001 0.000 0.227 311 S C 1.441 175.674 174.600 -0.611 0.000 0.986 311 S CA 0.706 58.806 58.200 -0.166 0.000 0.929 311 S CB 0.061 63.190 63.200 -0.118 0.000 0.769 311 S HN 0.460 nan 8.310 nan 0.000 0.529 312 G N 1.806 110.016 108.800 -0.983 0.000 2.143 312 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.249 312 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.249 312 G C 0.018 174.066 174.900 -1.421 0.000 0.981 312 G CA 0.035 43.871 45.100 -2.106 0.000 0.665 312 G HN 0.615 nan 8.290 nan 0.000 0.528 313 N N 0.786 119.092 118.700 -0.657 0.000 2.819 313 N HA 0.490 5.229 4.740 -0.001 0.000 0.284 313 N C -0.133 175.301 175.510 -0.127 0.000 1.196 313 N CA 0.050 52.898 53.050 -0.338 0.000 1.114 313 N CB -0.948 37.462 38.487 -0.128 0.000 1.437 313 N HN 0.763 nan 8.380 nan 0.000 0.518 314 F N -1.047 118.840 119.950 -0.106 0.000 2.770 314 F HA 0.407 4.934 4.527 -0.000 0.000 0.313 314 F C -0.461 175.359 175.800 0.033 0.000 1.154 314 F CA -1.472 56.535 58.000 0.012 0.000 0.923 314 F CB 0.620 39.684 39.000 0.107 0.000 1.301 314 F HN -0.134 nan 8.300 nan 0.000 0.449 315 K N 2.385 123.042 120.400 0.429 0.000 2.412 315 K HA 0.149 4.468 4.320 -0.001 0.000 0.284 315 K C -0.841 176.027 176.600 0.446 0.000 1.046 315 K CA -0.317 56.139 56.287 0.282 0.000 0.999 315 K CB 0.455 33.064 32.500 0.182 0.000 0.941 315 K HN 0.579 nan 8.250 nan 0.000 0.474 316 K N 3.625 124.164 120.400 0.232 0.000 2.253 316 K HA 0.177 4.496 4.320 -0.001 0.000 0.277 316 K C 0.096 176.831 176.600 0.226 0.000 1.053 316 K CA -0.369 56.058 56.287 0.233 0.000 0.892 316 K CB 1.613 34.147 32.500 0.057 0.000 1.102 316 K HN 0.744 nan 8.250 nan 0.000 0.469 317 T N 1.231 116.000 114.554 0.359 0.000 2.626 317 T HA 0.236 4.585 4.350 -0.001 0.000 0.285 317 T C -1.322 173.578 174.700 0.333 0.000 1.194 317 T CA -0.422 61.830 62.100 0.254 0.000 1.112 317 T CB 0.791 69.778 68.868 0.197 0.000 1.714 317 T HN 0.437 nan 8.240 nan 0.000 0.457 318 Q N 0.812 120.781 119.800 0.281 0.000 2.226 318 Q HA 0.787 5.127 4.340 -0.001 0.000 0.256 318 Q C -0.445 175.825 176.000 0.450 0.000 0.962 318 Q CA -0.523 55.500 55.803 0.367 0.000 0.887 318 Q CB 1.579 30.530 28.738 0.354 0.000 1.282 318 Q HN 0.697 nan 8.270 nan 0.000 0.449 319 I N -1.632 119.155 120.570 0.362 0.000 2.894 319 I HA 0.709 4.879 4.170 -0.001 0.000 0.302 319 I C -1.640 174.374 176.117 -0.171 0.000 1.188 319 I CA -1.353 60.026 61.300 0.132 0.000 1.014 319 I CB 1.917 39.831 38.000 -0.143 0.000 1.242 319 I HN 0.555 nan 8.210 nan 0.000 0.430 320 L N 6.593 127.500 121.223 -0.527 0.000 2.410 320 L HA 0.847 5.186 4.340 -0.001 0.000 0.270 320 L C -1.409 175.249 176.870 -0.354 0.000 0.983 320 L CA -0.541 53.872 54.840 -0.711 0.000 0.822 320 L CB 1.802 42.893 42.059 -1.613 0.000 1.285 320 L HN 0.876 nan 8.230 nan 0.000 0.409 321 L N 2.233 123.361 121.223 -0.157 0.000 2.940 321 L HA 1.060 5.400 4.340 -0.001 0.000 0.270 321 L C -0.957 175.657 176.870 -0.428 0.000 1.030 321 L CA -0.352 54.409 54.840 -0.131 0.000 0.928 321 L CB 1.632 43.614 42.059 -0.128 0.000 1.506 321 L HN 0.729 nan 8.230 nan 0.000 0.405 322 G N -0.075 108.270 108.800 -0.758 0.000 2.340 322 G HA2 0.607 4.567 3.960 -0.001 0.000 0.299 322 G HA3 0.607 4.567 3.960 -0.001 0.000 0.299 322 G C -1.451 173.113 174.900 -0.559 0.000 1.291 322 G CA 0.023 44.422 45.100 -1.170 0.000 0.841 322 G HN 1.588 nan 8.290 nan 0.000 0.500 323 V N -2.740 117.035 119.914 -0.233 0.000 3.156 323 V HA 0.877 4.997 4.120 -0.001 0.000 0.310 323 V C -0.878 175.338 176.094 0.204 0.000 1.234 323 V CA -1.426 60.935 62.300 0.101 0.000 1.065 323 V CB 1.784 33.679 31.823 0.120 0.000 1.088 323 V HN 0.698 nan 8.190 nan 0.000 0.451 324 N N 0.414 119.230 118.700 0.194 0.000 2.477 324 N HA 0.456 5.195 4.740 -0.001 0.000 0.284 324 N C 0.517 175.992 175.510 -0.058 0.000 1.182 324 N CA -0.610 52.525 53.050 0.141 0.000 0.949 324 N CB 1.758 40.429 38.487 0.308 0.000 1.204 324 N HN 0.898 nan 8.380 nan 0.000 0.526 325 K N -0.019 120.243 120.400 -0.230 0.000 2.057 325 K HA -0.046 4.274 4.320 -0.001 0.000 0.207 325 K C -0.659 176.047 176.600 0.177 0.000 1.049 325 K CA 1.225 57.475 56.287 -0.061 0.000 0.931 325 K CB 0.192 32.675 32.500 -0.030 0.000 0.714 325 K HN 0.522 nan 8.250 nan 0.000 0.440 326 D N 1.345 121.838 120.400 0.156 0.000 2.683 326 D HA 0.044 4.684 4.640 -0.001 0.000 0.309 326 D C 0.145 176.565 176.300 0.200 0.000 1.238 326 D CA -0.076 54.030 54.000 0.176 0.000 0.936 326 D CB 1.305 42.184 40.800 0.132 0.000 1.001 326 D HN 0.166 nan 8.370 nan 0.000 0.505 327 E N 0.478 120.817 120.200 0.230 0.000 2.204 327 E HA -0.097 4.252 4.350 -0.001 0.000 0.195 327 E C 1.927 178.691 176.600 0.274 0.000 0.990 327 E CA 0.550 57.117 56.400 0.278 0.000 0.821 327 E CB 0.202 30.044 29.700 0.238 0.000 0.750 327 E HN 0.414 nan 8.360 nan 0.000 0.477 328 G N 1.216 110.153 108.800 0.229 0.000 2.777 328 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.211 328 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.211 328 G C 1.686 176.738 174.900 0.255 0.000 1.149 328 G CA 0.712 45.973 45.100 0.268 0.000 0.785 328 G HN 0.332 nan 8.290 nan 0.000 0.536 329 S N 0.595 116.388 115.700 0.156 0.000 2.387 329 S HA -0.171 4.299 4.470 -0.001 0.000 0.230 329 S C 2.021 176.550 174.600 -0.119 0.000 1.035 329 S CA 0.979 59.204 58.200 0.041 0.000 1.014 329 S CB -0.547 62.553 63.200 -0.166 0.000 0.836 329 S HN 0.143 nan 8.310 nan 0.000 0.466 330 F N 1.834 121.642 119.950 -0.236 0.000 2.095 330 F HA 0.054 4.581 4.527 -0.001 0.000 0.298 330 F C 1.962 177.436 175.800 -0.542 0.000 1.104 330 F CA 0.952 58.624 58.000 -0.546 0.000 1.232 330 F CB -0.766 37.662 39.000 -0.953 0.000 0.987 330 F HN 0.176 nan 8.300 nan 0.000 0.475 331 F N -0.622 119.326 119.950 -0.003 0.000 2.234 331 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 331 F C 2.191 177.964 175.800 -0.044 0.000 1.087 331 F CA 0.847 58.805 58.000 -0.070 0.000 1.340 331 F CB -1.096 37.799 39.000 -0.174 0.000 1.031 331 F HN -0.113 nan 8.300 nan 0.000 0.500 332 L N -0.753 120.460 121.223 -0.016 0.000 2.072 332 L HA -0.146 4.194 4.340 -0.001 0.000 0.205 332 L C 2.408 179.116 176.870 -0.269 0.000 1.079 332 L CA 0.514 55.111 54.840 -0.405 0.000 0.752 332 L CB -0.643 40.776 42.059 -1.066 0.000 0.906 332 L HN 0.144 nan 8.230 nan 0.000 0.436 333 L N -1.201 120.061 121.223 0.066 0.000 2.079 333 L HA -0.245 4.094 4.340 -0.001 0.000 0.210 333 L C 2.301 179.350 176.870 0.299 0.000 1.081 333 L CA 1.960 57.009 54.840 0.349 0.000 0.752 333 L CB -0.592 41.695 42.059 0.379 0.000 0.896 333 L HN 0.125 nan 8.230 nan 0.000 0.433 334 Y N -0.716 119.621 120.300 0.061 0.000 2.337 334 Y HA 0.186 4.735 4.550 -0.001 0.000 0.293 334 Y C 2.321 178.226 175.900 0.008 0.000 1.123 334 Y CA 1.005 59.135 58.100 0.050 0.000 1.201 334 Y CB -0.294 38.161 38.460 -0.009 0.000 1.011 334 Y HN 0.269 nan 8.280 nan 0.000 0.545 335 G N -1.863 107.014 108.800 0.128 0.000 3.314 335 G HA2 0.397 4.356 3.960 -0.001 0.000 0.230 335 G HA3 0.397 4.356 3.960 -0.001 0.000 0.230 335 G C -0.034 174.909 174.900 0.073 0.000 1.058 335 G CA 0.313 45.453 45.100 0.067 0.000 0.926 335 G HN 0.286 nan 8.290 nan 0.000 0.564 336 A N 2.074 124.940 122.820 0.076 0.000 2.328 336 A HA 0.693 5.013 4.320 -0.001 0.000 0.284 336 A C -2.227 175.549 177.584 0.320 0.000 1.160 336 A CA -1.323 50.800 52.037 0.145 0.000 0.818 336 A CB 0.453 19.461 19.000 0.014 0.000 1.087 336 A HN 0.100 nan 8.150 nan 0.000 0.504 337 P HA 0.252 nan 4.420 nan 0.000 0.267 337 P C 0.848 178.219 177.300 0.118 0.000 1.205 337 P CA 1.361 64.554 63.100 0.154 0.000 0.765 337 P CB 1.063 32.814 31.700 0.085 0.000 0.828 338 G N 2.150 110.957 108.800 0.012 0.000 2.238 338 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 338 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 338 G C -0.294 174.372 174.900 -0.391 0.000 0.996 338 G CA -0.546 44.425 45.100 -0.215 0.000 0.632 338 G HN 0.412 nan 8.290 nan 0.000 0.503 339 F N 2.623 122.502 119.950 -0.118 0.000 2.408 339 F HA 0.684 5.211 4.527 -0.001 0.000 0.344 339 F C 0.772 176.561 175.800 -0.018 0.000 1.112 339 F CA -0.131 57.762 58.000 -0.178 0.000 1.096 339 F CB 2.064 40.997 39.000 -0.112 0.000 1.129 339 F HN 0.230 nan 8.300 nan 0.000 0.486 340 S N 1.473 117.279 115.700 0.177 0.000 2.564 340 S HA 0.375 4.845 4.470 -0.001 0.000 0.274 340 S C 0.419 175.219 174.600 0.332 0.000 1.124 340 S CA -1.243 57.091 58.200 0.223 0.000 0.869 340 S CB 2.237 65.499 63.200 0.102 0.000 1.105 340 S HN 0.678 nan 8.310 nan 0.000 0.472 341 K N 0.112 120.673 120.400 0.268 0.000 2.097 341 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 341 K C -0.155 176.497 176.600 0.087 0.000 1.049 341 K CA 1.562 57.916 56.287 0.112 0.000 0.933 341 K CB -0.099 32.179 32.500 -0.369 0.000 0.717 341 K HN 0.592 nan 8.250 nan 0.000 0.442 342 D N 0.283 120.722 120.400 0.065 0.000 2.463 342 D HA 0.028 4.667 4.640 -0.001 0.000 0.224 342 D C -0.145 176.194 176.300 0.065 0.000 1.174 342 D CA 0.079 54.102 54.000 0.037 0.000 0.829 342 D CB 0.743 41.534 40.800 -0.014 0.000 0.993 342 D HN 0.147 nan 8.370 nan 0.000 0.497 343 S N -1.213 114.546 115.700 0.098 0.000 2.671 343 S HA 0.349 4.819 4.470 -0.001 0.000 0.299 343 S C 0.764 175.388 174.600 0.041 0.000 1.116 343 S CA -0.744 57.475 58.200 0.031 0.000 0.912 343 S CB 2.483 65.658 63.200 -0.042 0.000 1.130 343 S HN -0.141 nan 8.310 nan 0.000 0.501 344 E N 0.635 120.821 120.200 -0.023 0.000 2.472 344 E HA 0.025 4.375 4.350 -0.001 0.000 0.200 344 E C -0.332 176.037 176.600 -0.385 0.000 1.046 344 E CA 0.458 56.835 56.400 -0.038 0.000 0.871 344 E CB -0.272 29.413 29.700 -0.025 0.000 0.806 344 E HN 0.711 nan 8.360 nan 0.000 0.533 345 S N 0.932 116.337 115.700 -0.492 0.000 3.614 345 S HA -0.176 4.294 4.470 -0.001 0.000 0.360 345 S C -0.270 173.919 174.600 -0.684 0.000 1.023 345 S CA 0.639 58.382 58.200 -0.762 0.000 1.114 345 S CB -1.137 61.225 63.200 -1.396 0.000 0.907 345 S HN 0.287 nan 8.310 nan 0.000 0.470 346 K N 1.003 121.160 120.400 -0.405 0.000 2.378 346 K HA 0.188 4.508 4.320 -0.001 0.000 0.288 346 K C 0.419 176.822 176.600 -0.327 0.000 1.057 346 K CA -0.079 56.031 56.287 -0.295 0.000 0.971 346 K CB 0.298 32.691 32.500 -0.179 0.000 0.975 346 K HN 0.225 nan 8.250 nan 0.000 0.475 347 I N 2.618 122.992 120.570 -0.327 0.000 2.440 347 I HA 0.022 4.191 4.170 -0.001 0.000 0.294 347 I C 1.203 177.238 176.117 -0.136 0.000 0.995 347 I CA -0.094 61.038 61.300 -0.279 0.000 1.306 347 I CB 1.186 39.025 38.000 -0.269 0.000 1.407 347 I HN 0.635 nan 8.210 nan 0.000 0.501 348 S N 6.639 122.281 115.700 -0.097 0.000 2.645 348 S HA 0.365 4.835 4.470 -0.001 0.000 0.266 348 S C 1.221 175.818 174.600 -0.005 0.000 1.258 348 S CA -0.558 57.608 58.200 -0.056 0.000 0.990 348 S CB 1.616 64.791 63.200 -0.042 0.000 0.967 348 S HN 0.508 nan 8.310 nan 0.000 0.556 349 R N 1.420 121.910 120.500 -0.016 0.000 2.083 349 R HA -0.099 4.240 4.340 -0.001 0.000 0.237 349 R C 2.379 178.752 176.300 0.122 0.000 1.137 349 R CA 1.974 58.081 56.100 0.012 0.000 0.951 349 R CB -0.962 29.340 30.300 0.004 0.000 0.851 349 R HN 0.944 nan 8.270 nan 0.000 0.434 350 E N 0.332 120.581 120.200 0.081 0.000 2.077 350 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 350 E C 1.181 177.843 176.600 0.103 0.000 0.989 350 E CA 1.210 57.664 56.400 0.090 0.000 0.800 350 E CB -0.434 29.297 29.700 0.052 0.000 0.746 350 E HN 0.191 nan 8.360 nan 0.000 0.452 351 D N 0.270 120.720 120.400 0.083 0.000 2.219 351 D HA -0.072 4.568 4.640 -0.001 0.000 0.205 351 D C 1.591 177.978 176.300 0.146 0.000 0.970 351 D CA 0.501 54.548 54.000 0.078 0.000 0.851 351 D CB -0.448 40.352 40.800 -0.000 0.000 0.943 351 D HN 0.196 nan 8.370 nan 0.000 0.488 352 F N 0.600 120.557 119.950 0.013 0.000 2.146 352 F HA -0.083 4.444 4.527 -0.001 0.000 0.298 352 F C 2.207 178.041 175.800 0.056 0.000 1.096 352 F CA 1.193 59.216 58.000 0.039 0.000 1.275 352 F CB -0.097 38.904 39.000 0.003 0.000 1.008 352 F HN -0.153 nan 8.300 nan 0.000 0.480 353 M N -0.850 118.885 119.600 0.225 0.000 2.200 353 M HA -0.173 4.306 4.480 -0.001 0.000 0.265 353 M C 2.330 178.643 176.300 0.021 0.000 1.066 353 M CA 1.341 56.709 55.300 0.112 0.000 1.127 353 M CB -0.396 32.315 32.600 0.185 0.000 1.379 353 M HN 0.060 nan 8.290 nan 0.000 0.420 354 S N 0.470 116.199 115.700 0.048 0.000 2.370 354 S HA -0.115 4.354 4.470 -0.001 0.000 0.226 354 S C 1.919 176.525 174.600 0.010 0.000 1.033 354 S CA 1.494 59.716 58.200 0.037 0.000 1.011 354 S CB -0.690 62.545 63.200 0.058 0.000 0.852 354 S HN 0.692 nan 8.310 nan 0.000 0.457 355 G N 1.001 109.797 108.800 -0.007 0.000 2.418 355 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.217 355 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.217 355 G C 1.453 176.273 174.900 -0.134 0.000 1.158 355 G CA 0.951 46.026 45.100 -0.043 0.000 0.771 355 G HN 0.426 nan 8.290 nan 0.000 0.545 356 V N 0.889 120.661 119.914 -0.237 0.000 2.343 356 V HA -0.150 3.970 4.120 -0.001 0.000 0.247 356 V C 2.709 178.739 176.094 -0.106 0.000 1.051 356 V CA 2.264 64.436 62.300 -0.212 0.000 1.036 356 V CB -0.327 31.356 31.823 -0.233 0.000 0.654 356 V HN 0.359 nan 8.190 nan 0.000 0.451 357 K N 0.195 120.552 120.400 -0.073 0.000 2.026 357 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 357 K C 1.815 178.389 176.600 -0.043 0.000 1.048 357 K CA 1.599 57.855 56.287 -0.052 0.000 0.929 357 K CB -0.645 31.841 32.500 -0.023 0.000 0.713 357 K HN 0.230 nan 8.250 nan 0.000 0.439 358 L N 0.691 121.902 121.223 -0.021 0.000 2.191 358 L HA -0.050 4.290 4.340 -0.001 0.000 0.212 358 L C 1.878 178.753 176.870 0.008 0.000 1.103 358 L CA 1.636 56.480 54.840 0.008 0.000 0.769 358 L CB -0.680 41.392 42.059 0.022 0.000 0.908 358 L HN 0.167 nan 8.230 nan 0.000 0.438 359 S N -2.124 113.560 115.700 -0.027 0.000 2.478 359 S HA 0.115 4.585 4.470 -0.001 0.000 0.222 359 S C 0.884 175.445 174.600 -0.065 0.000 1.008 359 S CA 0.043 58.228 58.200 -0.025 0.000 0.928 359 S CB 0.466 63.632 63.200 -0.057 0.000 0.781 359 S HN 0.119 nan 8.310 nan 0.000 0.518 360 V N 3.757 123.601 119.914 -0.115 0.000 2.361 360 V HA 0.213 4.333 4.120 -0.001 0.000 0.252 360 V C -1.689 174.260 176.094 -0.242 0.000 0.986 360 V CA -1.533 60.620 62.300 -0.245 0.000 1.033 360 V CB 0.794 32.476 31.823 -0.235 0.000 1.282 360 V HN 0.156 nan 8.190 nan 0.000 0.514 361 P HA -0.210 nan 4.420 nan 0.000 0.216 361 P C 0.986 177.985 177.300 -0.501 0.000 1.153 361 P CA 1.590 64.583 63.100 -0.178 0.000 0.858 361 P CB -0.123 31.628 31.700 0.085 0.000 0.789 362 H N -0.671 118.153 119.070 -0.409 0.000 2.842 362 H HA 0.579 5.134 4.556 -0.001 0.000 0.312 362 H C -0.304 174.876 175.328 -0.248 0.000 1.137 362 H CA -0.407 55.400 56.048 -0.403 0.000 1.176 362 H CB -0.821 28.857 29.762 -0.140 0.000 1.361 362 H HN 0.001 nan 8.280 nan 0.000 0.557 363 A N 2.083 124.664 122.820 -0.399 0.000 2.356 363 A HA 0.363 4.683 4.320 -0.001 0.000 0.310 363 A C -0.138 177.331 177.584 -0.191 0.000 1.075 363 A CA -1.008 50.846 52.037 -0.305 0.000 0.746 363 A CB 1.382 20.188 19.000 -0.323 0.000 1.221 363 A HN 0.616 nan 8.150 nan 0.000 0.443 364 N N 1.400 120.018 118.700 -0.137 0.000 2.347 364 N HA 0.126 4.866 4.740 -0.001 0.000 0.253 364 N C 0.004 175.474 175.510 -0.066 0.000 1.274 364 N CA -0.158 52.838 53.050 -0.089 0.000 0.941 364 N CB 0.246 38.692 38.487 -0.067 0.000 1.200 364 N HN 0.462 nan 8.380 nan 0.000 0.514 365 D N -0.511 119.865 120.400 -0.040 0.000 2.116 365 D HA -0.164 4.475 4.640 -0.001 0.000 0.193 365 D C 1.694 177.991 176.300 -0.005 0.000 0.998 365 D CA 1.062 55.051 54.000 -0.017 0.000 0.836 365 D CB -0.276 40.520 40.800 -0.007 0.000 0.951 365 D HN 0.482 nan 8.370 nan 0.000 0.449 366 L N 0.553 121.770 121.223 -0.010 0.000 2.012 366 L HA -0.056 4.284 4.340 -0.001 0.000 0.210 366 L C 2.188 179.066 176.870 0.014 0.000 1.073 366 L CA 2.266 57.110 54.840 0.005 0.000 0.748 366 L CB -1.007 41.048 42.059 -0.007 0.000 0.891 366 L HN 0.110 nan 8.230 nan 0.000 0.431 367 G N -0.624 108.160 108.800 -0.027 0.000 2.418 367 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.217 367 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.217 367 G C 1.610 176.513 174.900 0.004 0.000 1.158 367 G CA 1.057 46.133 45.100 -0.040 0.000 0.771 367 G HN 0.441 nan 8.290 nan 0.000 0.545 368 L N 0.424 121.640 121.223 -0.011 0.000 2.046 368 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 368 L C 2.516 179.431 176.870 0.075 0.000 1.077 368 L CA 1.190 56.039 54.840 0.014 0.000 0.747 368 L CB -0.388 41.668 42.059 -0.004 0.000 0.896 368 L HN 0.104 nan 8.230 nan 0.000 0.432 369 D N 0.181 120.629 120.400 0.081 0.000 2.144 369 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 369 D C 2.219 178.608 176.300 0.149 0.000 0.984 369 D CA 1.466 55.535 54.000 0.116 0.000 0.834 369 D CB 0.004 40.853 40.800 0.083 0.000 0.955 369 D HN 0.315 nan 8.370 nan 0.000 0.465 370 A N 0.593 123.510 122.820 0.161 0.000 1.902 370 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 370 A C 2.547 180.240 177.584 0.182 0.000 1.181 370 A CA 1.168 53.347 52.037 0.237 0.000 0.623 370 A CB -0.747 18.490 19.000 0.395 0.000 0.818 370 A HN 0.135 nan 8.150 nan 0.000 0.443 371 V N -0.174 119.856 119.914 0.192 0.000 2.261 371 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 371 V C 2.764 178.945 176.094 0.144 0.000 1.047 371 V CA 2.542 64.885 62.300 0.072 0.000 1.015 371 V CB -1.354 30.527 31.823 0.098 0.000 0.642 371 V HN 0.610 nan 8.190 nan 0.000 0.446 372 T N 0.623 115.297 114.554 0.201 0.000 2.699 372 T HA -0.217 4.132 4.350 -0.001 0.000 0.268 372 T C 1.888 176.792 174.700 0.340 0.000 1.036 372 T CA 1.869 64.179 62.100 0.350 0.000 1.147 372 T CB -0.401 68.689 68.868 0.371 0.000 0.862 372 T HN 0.261 nan 8.240 nan 0.000 0.446 373 L N 1.302 122.695 121.223 0.284 0.000 2.046 373 L HA -0.009 4.330 4.340 -0.001 0.000 0.208 373 L C 2.399 179.339 176.870 0.116 0.000 1.077 373 L CA 1.790 56.829 54.840 0.331 0.000 0.747 373 L CB -1.147 41.035 42.059 0.205 0.000 0.896 373 L HN 0.131 nan 8.230 nan 0.000 0.432 374 Q N -1.604 118.129 119.800 -0.112 0.000 2.291 374 Q HA -0.182 4.157 4.340 -0.001 0.000 0.206 374 Q C 1.080 176.787 176.000 -0.489 0.000 0.976 374 Q CA 1.728 57.268 55.803 -0.438 0.000 0.875 374 Q CB -0.142 27.985 28.738 -1.019 0.000 0.927 374 Q HN 0.672 nan 8.270 nan 0.000 0.450 375 Y N -1.643 118.603 120.300 -0.089 0.000 2.500 375 Y HA 0.312 4.862 4.550 -0.001 0.000 0.246 375 Y C -0.178 175.666 175.900 -0.093 0.000 1.146 375 Y CA -0.199 57.897 58.100 -0.006 0.000 1.230 375 Y CB 1.081 39.633 38.460 0.155 0.000 1.214 375 Y HN -0.189 nan 8.280 nan 0.000 0.526 376 T N 0.665 115.104 114.554 -0.192 0.000 2.795 376 T HA 0.094 4.444 4.350 -0.001 0.000 0.282 376 T C -0.762 173.471 174.700 -0.778 0.000 0.980 376 T CA -0.668 61.025 62.100 -0.679 0.000 1.012 376 T CB 1.200 69.295 68.868 -1.289 0.000 0.936 376 T HN -0.036 nan 8.240 nan 0.000 0.457 377 D N 1.921 121.953 120.400 -0.614 0.000 2.393 377 D HA 0.095 4.735 4.640 -0.001 0.000 0.232 377 D C -0.018 176.000 176.300 -0.469 0.000 1.192 377 D CA -0.733 53.032 54.000 -0.391 0.000 0.882 377 D CB 0.340 40.998 40.800 -0.237 0.000 1.038 377 D HN 0.613 nan 8.370 nan 0.000 0.499 378 W N 3.060 124.321 121.300 -0.065 0.000 2.848 378 W HA 0.058 4.718 4.660 -0.001 0.000 0.241 378 W C 1.922 178.410 176.519 -0.052 0.000 1.289 378 W CA -0.210 57.098 57.345 -0.061 0.000 1.396 378 W CB -0.042 29.387 29.460 -0.051 0.000 1.138 378 W HN 0.381 nan 8.180 nan 0.000 0.677 379 M N -0.556 119.081 119.600 0.061 0.000 2.371 379 M HA 0.042 4.522 4.480 -0.001 0.000 0.246 379 M C 0.017 176.313 176.300 -0.007 0.000 1.103 379 M CA 0.867 56.191 55.300 0.041 0.000 1.010 379 M CB 0.418 33.031 32.600 0.023 0.000 1.457 379 M HN -0.214 nan 8.290 nan 0.000 0.486 380 D N 0.004 120.368 120.400 -0.060 0.000 3.453 380 D HA -0.016 4.623 4.640 -0.001 0.000 0.312 380 D C 0.318 176.527 176.300 -0.152 0.000 1.349 380 D CA 0.100 54.052 54.000 -0.081 0.000 0.739 380 D CB 0.270 41.026 40.800 -0.074 0.000 1.312 380 D HN 0.223 nan 8.370 nan 0.000 0.628 381 D N -0.792 119.510 120.400 -0.164 0.000 2.378 381 D HA -0.111 4.529 4.640 -0.001 0.000 0.222 381 D C 0.544 176.706 176.300 -0.230 0.000 0.980 381 D CA 0.290 54.117 54.000 -0.287 0.000 0.907 381 D CB 0.197 40.842 40.800 -0.258 0.000 0.899 381 D HN 0.162 nan 8.370 nan 0.000 0.527 382 N N 0.489 119.105 118.700 -0.140 0.000 2.205 382 N HA -0.050 4.689 4.740 -0.001 0.000 0.201 382 N C 0.094 175.537 175.510 -0.112 0.000 1.128 382 N CA -0.210 52.772 53.050 -0.113 0.000 0.867 382 N CB 0.014 38.462 38.487 -0.065 0.000 0.996 382 N HN 0.157 nan 8.380 nan 0.000 0.503 383 N N 1.282 119.909 118.700 -0.123 0.000 2.427 383 N HA -0.003 4.736 4.740 -0.001 0.000 0.269 383 N C 1.235 176.677 175.510 -0.113 0.000 1.235 383 N CA 0.174 53.163 53.050 -0.101 0.000 0.934 383 N CB 0.819 39.250 38.487 -0.093 0.000 1.121 383 N HN 0.133 nan 8.380 nan 0.000 0.480 384 G N 4.000 112.741 108.800 -0.099 0.000 2.443 384 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.219 384 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.219 384 G C 1.522 176.362 174.900 -0.100 0.000 1.131 384 G CA 0.310 45.343 45.100 -0.111 0.000 0.775 384 G HN 0.707 nan 8.290 nan 0.000 0.547 385 I N -0.355 120.175 120.570 -0.067 0.000 2.500 385 I HA -0.026 4.143 4.170 -0.001 0.000 0.252 385 I C 2.700 178.817 176.117 0.000 0.000 1.142 385 I CA 0.787 62.070 61.300 -0.029 0.000 1.451 385 I CB -0.088 37.909 38.000 -0.006 0.000 1.093 385 I HN 0.115 nan 8.210 nan 0.000 0.430 386 K N 0.693 121.076 120.400 -0.029 0.000 2.103 386 K HA -0.100 4.219 4.320 -0.001 0.000 0.204 386 K C 1.897 178.491 176.600 -0.011 0.000 1.052 386 K CA 1.051 57.323 56.287 -0.025 0.000 0.945 386 K CB 0.001 32.450 32.500 -0.083 0.000 0.722 386 K HN 0.233 nan 8.250 nan 0.000 0.443 387 N N 0.781 119.440 118.700 -0.068 0.000 2.084 387 N HA -0.183 4.557 4.740 -0.001 0.000 0.190 387 N C 1.715 177.361 175.510 0.226 0.000 1.030 387 N CA 0.922 53.965 53.050 -0.011 0.000 0.849 387 N CB -0.204 38.230 38.487 -0.088 0.000 1.012 387 N HN 0.162 nan 8.380 nan 0.000 0.423 388 R N 1.362 121.917 120.500 0.093 0.000 2.082 388 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 388 R C 0.807 177.275 176.300 0.280 0.000 1.136 388 R CA 1.648 57.827 56.100 0.131 0.000 0.935 388 R CB -0.382 29.882 30.300 -0.060 0.000 0.842 388 R HN 0.114 nan 8.270 nan 0.000 0.430 389 D N -0.581 119.952 120.400 0.222 0.000 2.178 389 D HA -0.090 4.550 4.640 -0.001 0.000 0.201 389 D C 1.721 178.177 176.300 0.259 0.000 0.980 389 D CA 1.435 55.581 54.000 0.244 0.000 0.842 389 D CB -0.556 40.357 40.800 0.189 0.000 0.948 389 D HN 0.536 nan 8.370 nan 0.000 0.472 390 G N 0.639 109.607 108.800 0.280 0.000 2.421 390 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 390 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 390 G C 1.539 176.591 174.900 0.253 0.000 1.171 390 G CA 0.263 45.579 45.100 0.360 0.000 0.775 390 G HN 0.198 nan 8.290 nan 0.000 0.543 391 L N 0.973 122.363 121.223 0.279 0.000 2.093 391 L HA 0.005 4.345 4.340 -0.001 0.000 0.208 391 L C 2.265 179.184 176.870 0.082 0.000 1.085 391 L CA 1.864 56.752 54.840 0.081 0.000 0.755 391 L CB -0.586 41.596 42.059 0.206 0.000 0.904 391 L HN 0.172 nan 8.230 nan 0.000 0.435 392 D N -0.515 120.005 120.400 0.199 0.000 2.092 392 D HA -0.217 4.422 4.640 -0.001 0.000 0.193 392 D C 1.652 178.034 176.300 0.137 0.000 0.994 392 D CA 1.432 55.549 54.000 0.196 0.000 0.828 392 D CB 0.067 41.042 40.800 0.292 0.000 0.963 392 D HN 0.335 nan 8.370 nan 0.000 0.450 393 D N 0.163 120.657 120.400 0.158 0.000 2.104 393 D HA -0.142 4.498 4.640 -0.001 0.000 0.194 393 D C 2.372 178.691 176.300 0.031 0.000 0.994 393 D CA 0.520 54.627 54.000 0.177 0.000 0.830 393 D CB -0.372 40.637 40.800 0.349 0.000 0.959 393 D HN 0.361 nan 8.370 nan 0.000 0.452 394 I N 0.618 121.033 120.570 -0.259 0.000 2.118 394 I HA -0.281 3.889 4.170 -0.001 0.000 0.241 394 I C 2.500 178.510 176.117 -0.179 0.000 1.070 394 I CA 0.843 61.917 61.300 -0.376 0.000 1.327 394 I CB -0.243 37.479 38.000 -0.462 0.000 1.034 394 I HN -0.097 nan 8.210 nan 0.000 0.405 395 V N 0.836 120.684 119.914 -0.109 0.000 2.295 395 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 395 V C 2.522 178.536 176.094 -0.133 0.000 1.049 395 V CA 2.255 64.506 62.300 -0.083 0.000 1.024 395 V CB -1.448 30.395 31.823 0.033 0.000 0.648 395 V HN 0.602 nan 8.190 nan 0.000 0.447 396 G N -0.552 108.229 108.800 -0.033 0.000 2.402 396 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.216 396 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.216 396 G C 1.236 176.087 174.900 -0.083 0.000 1.162 396 G CA 0.878 45.971 45.100 -0.011 0.000 0.777 396 G HN 0.499 nan 8.290 nan 0.000 0.539 397 D N -0.173 120.185 120.400 -0.071 0.000 2.097 397 D HA -0.077 4.563 4.640 -0.001 0.000 0.197 397 D C 2.074 178.087 176.300 -0.480 0.000 0.984 397 D CA 1.210 55.145 54.000 -0.109 0.000 0.826 397 D CB -0.396 40.495 40.800 0.151 0.000 0.973 397 D HN 0.426 nan 8.370 nan 0.000 0.460 398 H N 0.756 119.254 119.070 -0.954 0.000 2.389 398 H HA 0.060 4.616 4.556 -0.001 0.000 0.299 398 H C 1.490 176.415 175.328 -0.671 0.000 1.081 398 H CA 1.526 56.816 56.048 -1.263 0.000 1.345 398 H CB 0.126 28.945 29.762 -1.571 0.000 1.393 398 H HN -0.019 nan 8.280 nan 0.000 0.520 399 N N -0.743 117.503 118.700 -0.756 0.000 2.409 399 N HA 0.004 4.744 4.740 -0.001 0.000 0.174 399 N C 1.138 176.383 175.510 -0.442 0.000 1.037 399 N CA 1.023 53.568 53.050 -0.842 0.000 0.898 399 N CB 1.088 38.603 38.487 -1.620 0.000 1.010 399 N HN 0.261 nan 8.380 nan 0.000 0.445 400 V N 0.163 119.908 119.914 -0.282 0.000 3.134 400 V HA 0.114 4.233 4.120 -0.001 0.000 0.222 400 V C 1.960 178.030 176.094 -0.040 0.000 1.247 400 V CA 0.042 62.304 62.300 -0.063 0.000 1.281 400 V CB -0.086 31.770 31.823 0.055 0.000 1.169 400 V HN -0.117 nan 8.190 nan 0.000 0.512 401 I N 0.826 121.388 120.570 -0.013 0.000 2.099 401 I HA -0.262 3.908 4.170 -0.001 0.000 0.239 401 I C 2.558 178.687 176.117 0.019 0.000 1.066 401 I CA 2.109 63.428 61.300 0.031 0.000 1.324 401 I CB -0.615 37.442 38.000 0.095 0.000 1.037 401 I HN 0.353 nan 8.210 nan 0.000 0.401 402 c N 0.339 118.940 118.600 0.001 0.000 2.446 402 c HA -0.047 4.523 4.570 -0.001 0.000 0.277 402 c C 0.200 174.317 174.090 0.045 0.000 1.275 402 c CA 0.632 57.000 56.329 0.064 0.000 1.727 402 c CB -2.064 40.527 42.510 0.134 0.000 2.010 402 c HN 0.380 nan 8.230 nan 0.000 0.486 403 P HA -0.114 nan 4.420 nan 0.000 0.215 403 P C 1.767 179.094 177.300 0.046 0.000 1.157 403 P CA 1.194 64.269 63.100 -0.041 0.000 0.868 403 P CB -0.272 31.313 31.700 -0.192 0.000 0.788 404 L N -1.870 119.354 121.223 0.002 0.000 2.083 404 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 404 L C 2.216 179.129 176.870 0.072 0.000 1.083 404 L CA 1.722 56.578 54.840 0.027 0.000 0.752 404 L CB -0.562 41.485 42.059 -0.020 0.000 0.899 404 L HN -0.129 nan 8.230 nan 0.000 0.433 405 M N -1.118 118.520 119.600 0.062 0.000 2.175 405 M HA -0.210 4.269 4.480 -0.001 0.000 0.264 405 M C 2.273 178.645 176.300 0.120 0.000 1.063 405 M CA 1.655 56.993 55.300 0.063 0.000 1.119 405 M CB -1.518 31.135 32.600 0.088 0.000 1.377 405 M HN 0.424 nan 8.290 nan 0.000 0.415 406 H N -0.294 118.817 119.070 0.069 0.000 2.357 406 H HA -0.166 4.390 4.556 -0.001 0.000 0.301 406 H C 1.822 177.202 175.328 0.088 0.000 1.082 406 H CA 1.911 58.007 56.048 0.079 0.000 1.342 406 H CB -0.297 29.505 29.762 0.067 0.000 1.389 406 H HN 0.245 nan 8.280 nan 0.000 0.511 407 F N -0.133 119.767 119.950 -0.083 0.000 2.146 407 F HA -0.136 4.391 4.527 -0.001 0.000 0.298 407 F C 2.460 178.171 175.800 -0.148 0.000 1.096 407 F CA 1.373 59.279 58.000 -0.157 0.000 1.275 407 F CB -0.831 38.083 39.000 -0.143 0.000 1.008 407 F HN 0.127 nan 8.300 nan 0.000 0.480 408 V N 1.053 120.893 119.914 -0.124 0.000 2.407 408 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 408 V C 2.197 178.154 176.094 -0.227 0.000 1.055 408 V CA 2.443 64.556 62.300 -0.311 0.000 1.049 408 V CB -0.624 30.925 31.823 -0.457 0.000 0.662 408 V HN 0.423 nan 8.190 nan 0.000 0.455 409 N N 0.043 118.688 118.700 -0.093 0.000 2.142 409 N HA -0.118 4.622 4.740 -0.001 0.000 0.186 409 N C 1.814 177.305 175.510 -0.032 0.000 1.023 409 N CA 1.270 54.352 53.050 0.053 0.000 0.852 409 N CB -0.251 38.297 38.487 0.101 0.000 0.998 409 N HN 0.418 nan 8.380 nan 0.000 0.424 410 K N 0.407 120.700 120.400 -0.178 0.000 2.148 410 K HA -0.114 4.206 4.320 -0.001 0.000 0.204 410 K C 1.918 178.500 176.600 -0.031 0.000 1.050 410 K CA 0.589 56.811 56.287 -0.109 0.000 0.942 410 K CB -0.608 31.759 32.500 -0.221 0.000 0.724 410 K HN 0.309 nan 8.250 nan 0.000 0.446 411 Y N 2.238 122.288 120.300 -0.417 0.000 2.163 411 Y HA -0.197 4.353 4.550 -0.001 0.000 0.288 411 Y C 2.293 178.178 175.900 -0.025 0.000 1.136 411 Y CA 1.823 59.650 58.100 -0.455 0.000 1.147 411 Y CB -0.442 37.434 38.460 -0.973 0.000 0.987 411 Y HN 0.002 nan 8.280 nan 0.000 0.509 412 T N 0.577 115.156 114.554 0.042 0.000 2.778 412 T HA -0.282 4.067 4.350 -0.001 0.000 0.269 412 T C 1.840 176.557 174.700 0.028 0.000 1.050 412 T CA 1.842 64.004 62.100 0.104 0.000 1.137 412 T CB -0.310 68.725 68.868 0.278 0.000 0.860 412 T HN 0.293 nan 8.240 nan 0.000 0.468 413 K N 0.048 120.461 120.400 0.021 0.000 2.074 413 K HA -0.108 4.212 4.320 -0.001 0.000 0.209 413 K C 1.184 177.625 176.600 -0.266 0.000 1.048 413 K CA 1.636 57.845 56.287 -0.131 0.000 0.926 413 K CB -0.150 32.260 32.500 -0.151 0.000 0.713 413 K HN 0.376 nan 8.250 nan 0.000 0.444 414 F N -0.342 119.541 119.950 -0.111 0.000 2.704 414 F HA 0.312 4.839 4.527 -0.001 0.000 0.304 414 F C 1.278 176.954 175.800 -0.207 0.000 1.094 414 F CA -0.227 57.673 58.000 -0.166 0.000 1.275 414 F CB 0.086 38.923 39.000 -0.272 0.000 1.073 414 F HN -0.008 nan 8.300 nan 0.000 0.586 415 G N 0.035 108.756 108.800 -0.132 0.000 2.611 415 G HA2 -0.013 3.946 3.960 -0.001 0.000 0.273 415 G HA3 -0.013 3.946 3.960 -0.001 0.000 0.273 415 G C 0.425 175.346 174.900 0.034 0.000 1.305 415 G CA -0.348 44.656 45.100 -0.160 0.000 1.010 415 G HN 0.293 nan 8.290 nan 0.000 0.509 416 N N -0.680 118.096 118.700 0.125 0.000 2.235 416 N HA 0.273 5.013 4.740 -0.001 0.000 0.231 416 N C 0.220 175.803 175.510 0.121 0.000 1.177 416 N CA 0.415 53.526 53.050 0.101 0.000 0.874 416 N CB 0.515 39.058 38.487 0.094 0.000 1.097 416 N HN 0.841 nan 8.380 nan 0.000 0.518 417 G N 0.551 109.440 108.800 0.149 0.000 2.088 417 G HA2 0.067 4.027 3.960 -0.001 0.000 0.222 417 G HA3 0.067 4.027 3.960 -0.001 0.000 0.222 417 G C -1.356 173.599 174.900 0.092 0.000 1.690 417 G CA -0.644 44.514 45.100 0.096 0.000 0.923 417 G HN 0.010 nan 8.290 nan 0.000 0.730 418 T N 1.597 116.082 114.554 -0.116 0.000 2.861 418 T HA 0.679 5.028 4.350 -0.001 0.000 0.287 418 T C -1.301 173.153 174.700 -0.409 0.000 1.003 418 T CA -0.356 61.675 62.100 -0.115 0.000 0.977 418 T CB 1.351 70.224 68.868 0.009 0.000 0.996 418 T HN 0.413 nan 8.240 nan 0.000 0.448 419 Y N 2.007 122.201 120.300 -0.175 0.000 2.326 419 Y HA 0.623 5.173 4.550 -0.001 0.000 0.329 419 Y C -0.550 175.376 175.900 0.043 0.000 0.973 419 Y CA -1.116 56.831 58.100 -0.255 0.000 1.162 419 Y CB 1.480 39.330 38.460 -1.017 0.000 1.147 419 Y HN 0.436 nan 8.280 nan 0.000 0.456 420 L N 6.089 127.643 121.223 0.551 0.000 2.307 420 L HA 0.599 4.939 4.340 -0.001 0.000 0.284 420 L C -1.156 176.158 176.870 0.741 0.000 1.023 420 L CA -0.966 54.154 54.840 0.467 0.000 0.810 420 L CB 0.485 42.674 42.059 0.217 0.000 1.231 420 L HN 0.525 nan 8.230 nan 0.000 0.423 421 Y N 3.308 123.927 120.300 0.533 0.000 2.598 421 Y HA 0.731 5.281 4.550 -0.001 0.000 0.340 421 Y C -1.635 174.537 175.900 0.453 0.000 1.038 421 Y CA -2.088 56.263 58.100 0.418 0.000 1.100 421 Y CB 1.285 39.919 38.460 0.290 0.000 1.281 421 Y HN 0.530 nan 8.280 nan 0.000 0.488 422 F N 4.139 124.442 119.950 0.589 0.000 2.577 422 F HA 0.458 4.985 4.527 -0.001 0.000 0.344 422 F C -1.929 174.183 175.800 0.520 0.000 1.145 422 F CA -1.717 56.551 58.000 0.447 0.000 0.996 422 F CB 0.696 39.921 39.000 0.375 0.000 1.248 422 F HN 0.571 nan 8.300 nan 0.000 0.447 423 F N 8.290 128.308 119.950 0.113 0.000 2.413 423 F HA 0.304 4.831 4.527 -0.001 0.000 0.359 423 F C 0.175 175.811 175.800 -0.275 0.000 1.122 423 F CA -0.227 57.768 58.000 -0.009 0.000 1.160 423 F CB 0.528 39.586 39.000 0.097 0.000 1.146 423 F HN 0.558 nan 8.300 nan 0.000 0.514 424 N N 3.440 121.721 118.700 -0.698 0.000 2.466 424 N HA 0.065 4.804 4.740 -0.001 0.000 0.272 424 N C -1.153 174.091 175.510 -0.444 0.000 1.455 424 N CA -0.480 52.270 53.050 -0.500 0.000 0.875 424 N CB -0.720 37.666 38.487 -0.168 0.000 1.372 424 N HN 0.633 nan 8.380 nan 0.000 0.492 425 H N 0.819 119.350 119.070 -0.898 0.000 2.517 425 H HA 0.440 4.996 4.556 -0.001 0.000 0.317 425 H C -0.341 174.788 175.328 -0.332 0.000 1.080 425 H CA -0.557 55.171 56.048 -0.533 0.000 1.301 425 H CB 1.037 30.451 29.762 -0.579 0.000 1.425 425 H HN 0.132 nan 8.280 nan 0.000 0.471 426 R N 4.132 124.209 120.500 -0.706 0.000 2.254 426 R HA 0.535 4.875 4.340 -0.001 0.000 0.318 426 R C -0.607 175.419 176.300 -0.457 0.000 1.031 426 R CA -0.644 55.234 56.100 -0.371 0.000 0.905 426 R CB 0.506 30.690 30.300 -0.193 0.000 1.050 426 R HN 0.810 nan 8.270 nan 0.000 0.456 427 A N 3.036 125.867 122.820 0.019 0.000 2.546 427 A HA 0.006 4.326 4.320 -0.001 0.000 0.243 427 A C 1.327 178.984 177.584 0.122 0.000 1.063 427 A CA 0.514 52.730 52.037 0.298 0.000 0.757 427 A CB 0.281 19.582 19.000 0.501 0.000 0.991 427 A HN 1.028 nan 8.150 nan 0.000 0.503 428 S N 1.748 117.557 115.700 0.183 0.000 2.419 428 S HA -0.176 4.294 4.470 -0.001 0.000 0.233 428 S C 0.914 175.501 174.600 -0.022 0.000 1.016 428 S CA 1.215 59.460 58.200 0.075 0.000 0.974 428 S CB -0.448 62.821 63.200 0.115 0.000 0.786 428 S HN 0.926 nan 8.310 nan 0.000 0.492 429 N N 0.842 119.483 118.700 -0.098 0.000 2.279 429 N HA 0.234 4.974 4.740 -0.001 0.000 0.226 429 N C -0.191 175.239 175.510 -0.134 0.000 1.126 429 N CA -0.339 52.606 53.050 -0.174 0.000 0.846 429 N CB -0.607 37.666 38.487 -0.357 0.000 1.050 429 N HN 0.406 nan 8.380 nan 0.000 0.502 430 L N 1.454 122.638 121.223 -0.066 0.000 2.513 430 L HA 0.001 4.341 4.340 -0.001 0.000 0.272 430 L C 1.456 178.265 176.870 -0.101 0.000 1.187 430 L CA -0.341 54.460 54.840 -0.065 0.000 0.895 430 L CB 0.956 42.977 42.059 -0.064 0.000 1.147 430 L HN 0.142 nan 8.230 nan 0.000 0.483 431 V N 0.484 120.293 119.914 -0.174 0.000 3.306 431 V HA -0.016 4.104 4.120 -0.001 0.000 0.264 431 V C 0.585 176.600 176.094 -0.132 0.000 1.149 431 V CA -0.280 61.893 62.300 -0.211 0.000 1.143 431 V CB -0.963 30.600 31.823 -0.434 0.000 0.767 431 V HN 0.595 nan 8.190 nan 0.000 0.476 432 W N 1.871 123.148 121.300 -0.040 0.000 2.184 432 W HA 0.496 5.156 4.660 -0.001 0.000 0.338 432 W C -1.690 174.695 176.519 -0.224 0.000 1.257 432 W CA -2.118 55.149 57.345 -0.129 0.000 1.243 432 W CB -0.174 29.087 29.460 -0.331 0.000 1.122 432 W HN 0.001 nan 8.180 nan 0.000 0.585 433 P HA -0.072 nan 4.420 nan 0.000 0.270 433 P C 0.454 177.642 177.300 -0.186 0.000 1.223 433 P CA 0.297 63.338 63.100 -0.099 0.000 0.785 433 P CB 0.999 32.675 31.700 -0.041 0.000 0.923 434 E N 1.478 121.649 120.200 -0.049 0.000 2.130 434 E HA -0.169 4.180 4.350 -0.001 0.000 0.196 434 E C 1.840 178.446 176.600 0.009 0.000 0.998 434 E CA 1.499 57.892 56.400 -0.012 0.000 0.806 434 E CB -0.673 29.063 29.700 0.059 0.000 0.738 434 E HN 0.724 nan 8.360 nan 0.000 0.459 435 W N -0.035 121.288 121.300 0.039 0.000 2.468 435 W HA -0.065 4.595 4.660 -0.001 0.000 0.262 435 W C 1.352 177.908 176.519 0.062 0.000 1.241 435 W CA 0.413 57.791 57.345 0.056 0.000 1.232 435 W CB -0.741 28.760 29.460 0.068 0.000 1.124 435 W HN 0.000 nan 8.180 nan 0.000 0.597 436 M N 1.317 120.501 119.600 -0.694 0.000 2.558 436 M HA 0.150 4.630 4.480 -0.001 0.000 0.255 436 M C 1.735 177.885 176.300 -0.250 0.000 1.113 436 M CA 1.333 56.193 55.300 -0.733 0.000 1.097 436 M CB -0.516 31.425 32.600 -1.099 0.000 1.426 436 M HN 0.150 nan 8.290 nan 0.000 0.488 437 G N 0.582 109.308 108.800 -0.123 0.000 2.596 437 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.295 437 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.295 437 G C -0.141 174.736 174.900 -0.039 0.000 1.240 437 G CA -0.166 44.915 45.100 -0.033 0.000 0.985 437 G HN 0.219 nan 8.290 nan 0.000 0.555 438 V N 2.070 121.995 119.914 0.018 0.000 2.276 438 V HA 0.360 4.480 4.120 -0.001 0.000 0.249 438 V C 1.159 177.351 176.094 0.163 0.000 1.160 438 V CA -0.088 62.258 62.300 0.077 0.000 1.042 438 V CB -0.330 31.511 31.823 0.030 0.000 1.224 438 V HN 0.531 nan 8.190 nan 0.000 0.496 439 I N 2.611 123.265 120.570 0.140 0.000 2.752 439 I HA 0.034 4.204 4.170 -0.001 0.000 0.287 439 I C 1.035 177.418 176.117 0.443 0.000 1.188 439 I CA -0.238 61.182 61.300 0.200 0.000 1.427 439 I CB 0.010 37.998 38.000 -0.019 0.000 1.365 439 I HN 0.564 nan 8.210 nan 0.000 0.585 440 H N 4.802 124.053 119.070 0.302 0.000 3.167 440 H HA 0.122 4.678 4.556 -0.001 0.000 0.306 440 H C 1.066 176.501 175.328 0.179 0.000 0.965 440 H CA 1.037 57.233 56.048 0.246 0.000 1.408 440 H CB 0.209 30.123 29.762 0.253 0.000 1.406 440 H HN 0.779 nan 8.280 nan 0.000 0.576 441 G N 3.574 112.203 108.800 -0.285 0.000 2.176 441 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.253 441 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.253 441 G C 0.478 175.234 174.900 -0.240 0.000 0.979 441 G CA 0.478 45.340 45.100 -0.398 0.000 0.641 441 G HN 0.653 nan 8.290 nan 0.000 0.530 442 Y N 1.001 121.417 120.300 0.194 0.000 2.571 442 Y HA 0.271 4.821 4.550 -0.001 0.000 0.275 442 Y C 2.173 178.220 175.900 0.245 0.000 1.179 442 Y CA 0.706 59.002 58.100 0.326 0.000 1.242 442 Y CB 0.518 39.209 38.460 0.385 0.000 1.126 442 Y HN 0.478 nan 8.280 nan 0.000 0.524 443 E N -0.069 120.059 120.200 -0.120 0.000 2.415 443 E HA -0.028 4.322 4.350 -0.001 0.000 0.197 443 E C 1.600 178.114 176.600 -0.143 0.000 1.007 443 E CA 0.546 56.507 56.400 -0.733 0.000 0.890 443 E CB -0.366 28.559 29.700 -1.292 0.000 0.891 443 E HN 0.519 nan 8.360 nan 0.000 0.496 444 I N 2.718 123.309 120.570 0.036 0.000 2.151 444 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 444 I C 2.625 178.829 176.117 0.145 0.000 1.080 444 I CA 2.246 63.645 61.300 0.166 0.000 1.339 444 I CB -0.456 37.706 38.000 0.270 0.000 1.039 444 I HN 0.225 nan 8.210 nan 0.000 0.409 445 E N 0.772 121.011 120.200 0.065 0.000 2.204 445 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 445 E C 1.995 178.432 176.600 -0.273 0.000 0.990 445 E CA 1.402 57.744 56.400 -0.097 0.000 0.821 445 E CB -0.475 29.166 29.700 -0.099 0.000 0.750 445 E HN 0.435 nan 8.360 nan 0.000 0.477 446 F N 0.994 120.860 119.950 -0.139 0.000 2.293 446 F HA -0.012 4.515 4.527 -0.001 0.000 0.297 446 F C 2.282 177.909 175.800 -0.287 0.000 1.089 446 F CA 0.447 58.326 58.000 -0.202 0.000 1.377 446 F CB -0.097 38.835 39.000 -0.114 0.000 1.051 446 F HN -0.123 nan 8.300 nan 0.000 0.511 447 V N -1.125 118.696 119.914 -0.155 0.000 2.453 447 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 447 V C 1.656 177.539 176.094 -0.351 0.000 1.048 447 V CA 1.567 63.615 62.300 -0.420 0.000 1.049 447 V CB -0.558 31.021 31.823 -0.405 0.000 0.672 447 V HN 0.195 nan 8.190 nan 0.000 0.457 448 F N 0.518 120.335 119.950 -0.221 0.000 2.773 448 F HA 0.377 4.904 4.527 -0.001 0.000 0.304 448 F C 1.808 177.519 175.800 -0.150 0.000 1.129 448 F CA 0.703 58.602 58.000 -0.169 0.000 1.378 448 F CB -0.237 38.652 39.000 -0.185 0.000 1.095 448 F HN 0.268 nan 8.300 nan 0.000 0.565 449 G N 0.206 108.929 108.800 -0.129 0.000 2.160 449 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.251 449 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.251 449 G C 1.129 175.718 174.900 -0.520 0.000 1.008 449 G CA 0.393 45.335 45.100 -0.263 0.000 0.724 449 G HN 0.278 nan 8.290 nan 0.000 0.514 450 L N -0.355 120.533 121.223 -0.559 0.000 2.187 450 L HA -0.063 4.276 4.340 -0.001 0.000 0.213 450 L C 0.106 176.550 176.870 -0.711 0.000 1.100 450 L CA 2.318 56.767 54.840 -0.650 0.000 0.765 450 L CB -1.919 39.907 42.059 -0.389 0.000 0.904 450 L HN 0.209 nan 8.230 nan 0.000 0.437 451 P HA -0.088 nan 4.420 nan 0.000 0.231 451 P C 1.868 178.932 177.300 -0.394 0.000 1.158 451 P CA 0.799 63.356 63.100 -0.905 0.000 0.763 451 P CB 0.082 31.175 31.700 -1.012 0.000 0.805 452 L N -1.457 119.531 121.223 -0.392 0.000 2.492 452 L HA 0.053 4.393 4.340 -0.001 0.000 0.223 452 L C 1.036 177.781 176.870 -0.207 0.000 1.132 452 L CA 0.324 55.018 54.840 -0.244 0.000 0.850 452 L CB -0.216 41.726 42.059 -0.195 0.000 0.966 452 L HN -0.084 nan 8.230 nan 0.000 0.454 453 V N -0.750 119.001 119.914 -0.272 0.000 2.334 453 V HA 0.130 4.250 4.120 -0.001 0.000 0.267 453 V C 1.231 177.282 176.094 -0.072 0.000 1.040 453 V CA -0.564 61.637 62.300 -0.165 0.000 0.866 453 V CB 1.309 33.006 31.823 -0.210 0.000 1.019 453 V HN 0.244 nan 8.190 nan 0.000 0.468 454 K N 4.001 124.375 120.400 -0.044 0.000 2.049 454 K HA -0.215 4.104 4.320 -0.001 0.000 0.219 454 K C 1.776 178.365 176.600 -0.017 0.000 1.056 454 K CA 2.619 58.894 56.287 -0.020 0.000 0.946 454 K CB 0.040 32.527 32.500 -0.021 0.000 0.723 454 K HN 0.961 nan 8.250 nan 0.000 0.453 455 E N 0.660 120.844 120.200 -0.027 0.000 2.455 455 E HA -0.197 4.152 4.350 -0.001 0.000 0.202 455 E C 1.648 178.221 176.600 -0.046 0.000 1.045 455 E CA 0.864 57.243 56.400 -0.035 0.000 0.872 455 E CB -0.288 29.391 29.700 -0.034 0.000 0.792 455 E HN 0.493 nan 8.360 nan 0.000 0.542 456 L N 0.494 121.702 121.223 -0.026 0.000 2.592 456 L HA 0.076 4.416 4.340 -0.001 0.000 0.227 456 L C -0.161 176.621 176.870 -0.146 0.000 1.127 456 L CA -0.145 54.667 54.840 -0.047 0.000 0.884 456 L CB -0.436 41.667 42.059 0.073 0.000 1.065 456 L HN -0.032 nan 8.230 nan 0.000 0.457 457 N N -0.647 118.008 118.700 -0.075 0.000 2.756 457 N HA -0.215 4.524 4.740 -0.001 0.000 0.248 457 N C -0.743 174.672 175.510 -0.158 0.000 1.062 457 N CA 0.838 53.822 53.050 -0.110 0.000 0.696 457 N CB -1.690 36.706 38.487 -0.151 0.000 0.946 457 N HN 0.285 nan 8.380 nan 0.000 0.548 458 Y N 0.196 120.465 120.300 -0.053 0.000 2.480 458 Y HA 0.421 4.970 4.550 -0.001 0.000 0.323 458 Y C 1.845 177.746 175.900 0.001 0.000 1.267 458 Y CA -0.218 57.870 58.100 -0.020 0.000 1.336 458 Y CB 0.563 38.981 38.460 -0.069 0.000 1.361 458 Y HN 0.117 nan 8.280 nan 0.000 0.518 459 T N -2.107 112.571 114.554 0.207 0.000 2.788 459 T HA 0.456 4.806 4.350 -0.001 0.000 0.280 459 T C 1.115 175.874 174.700 0.099 0.000 0.984 459 T CA -0.198 61.975 62.100 0.122 0.000 0.972 459 T CB 1.062 70.001 68.868 0.120 0.000 1.039 459 T HN 0.732 nan 8.240 nan 0.000 0.530 460 A N 0.766 123.620 122.820 0.056 0.000 1.929 460 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 460 A C 2.303 179.900 177.584 0.021 0.000 1.176 460 A CA 1.118 53.172 52.037 0.029 0.000 0.628 460 A CB -0.754 18.256 19.000 0.017 0.000 0.816 460 A HN 0.925 nan 8.150 nan 0.000 0.444 461 E N 0.866 121.080 120.200 0.023 0.000 2.204 461 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 461 E C 1.450 178.048 176.600 -0.003 0.000 0.990 461 E CA 1.296 57.692 56.400 -0.005 0.000 0.821 461 E CB -0.617 29.070 29.700 -0.021 0.000 0.750 461 E HN 0.785 nan 8.360 nan 0.000 0.477 462 E N 1.032 121.271 120.200 0.065 0.000 2.072 462 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 462 E C 2.127 178.781 176.600 0.091 0.000 0.985 462 E CA 1.180 57.691 56.400 0.185 0.000 0.801 462 E CB -0.071 29.845 29.700 0.360 0.000 0.750 462 E HN 0.462 nan 8.360 nan 0.000 0.452 463 E N 1.090 121.286 120.200 -0.006 0.000 2.110 463 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 463 E C 1.976 178.548 176.600 -0.047 0.000 0.988 463 E CA 1.157 57.510 56.400 -0.079 0.000 0.804 463 E CB -0.079 29.581 29.700 -0.067 0.000 0.745 463 E HN 0.193 nan 8.360 nan 0.000 0.458 464 A N 0.887 123.693 122.820 -0.023 0.000 1.930 464 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 464 A C 2.144 179.711 177.584 -0.027 0.000 1.175 464 A CA 1.262 53.279 52.037 -0.033 0.000 0.627 464 A CB -0.648 18.334 19.000 -0.030 0.000 0.815 464 A HN 0.407 nan 8.150 nan 0.000 0.443 465 L N -0.205 121.026 121.223 0.013 0.000 1.994 465 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 465 L C 2.598 179.519 176.870 0.085 0.000 1.071 465 L CA 2.598 57.463 54.840 0.042 0.000 0.745 465 L CB -1.007 41.084 42.059 0.052 0.000 0.892 465 L HN 0.336 nan 8.230 nan 0.000 0.431 466 S N -0.798 114.999 115.700 0.161 0.000 2.374 466 S HA -0.260 4.209 4.470 -0.001 0.000 0.227 466 S C 2.192 176.752 174.600 -0.067 0.000 1.037 466 S CA 1.687 59.910 58.200 0.038 0.000 1.024 466 S CB -0.242 62.858 63.200 -0.167 0.000 0.861 466 S HN 0.517 nan 8.310 nan 0.000 0.456 467 R N -0.002 120.454 120.500 -0.073 0.000 2.075 467 R HA 0.074 4.414 4.340 -0.001 0.000 0.232 467 R C 2.743 178.983 176.300 -0.100 0.000 1.126 467 R CA 1.335 57.384 56.100 -0.084 0.000 0.963 467 R CB -0.227 30.022 30.300 -0.085 0.000 0.858 467 R HN 0.364 nan 8.270 nan 0.000 0.435 468 R N 0.323 120.739 120.500 -0.140 0.000 2.092 468 R HA -0.039 4.300 4.340 -0.001 0.000 0.231 468 R C 2.249 178.328 176.300 -0.368 0.000 1.119 468 R CA 1.209 57.124 56.100 -0.307 0.000 0.970 468 R CB -0.222 29.890 30.300 -0.312 0.000 0.864 468 R HN 0.207 nan 8.270 nan 0.000 0.440 469 I N 0.412 120.896 120.570 -0.144 0.000 2.202 469 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 469 I C 2.372 178.417 176.117 -0.121 0.000 1.091 469 I CA 1.347 62.590 61.300 -0.094 0.000 1.368 469 I CB -0.152 37.679 38.000 -0.281 0.000 1.058 469 I HN 0.205 nan 8.210 nan 0.000 0.410 470 M N -0.603 118.907 119.600 -0.149 0.000 2.159 470 M HA -0.259 4.221 4.480 -0.001 0.000 0.263 470 M C 2.375 178.720 176.300 0.075 0.000 1.063 470 M CA 1.736 56.980 55.300 -0.093 0.000 1.110 470 M CB -0.730 31.818 32.600 -0.087 0.000 1.374 470 M HN 0.285 nan 8.290 nan 0.000 0.411 471 H N -0.484 118.562 119.070 -0.040 0.000 2.428 471 H HA -0.104 4.452 4.556 -0.001 0.000 0.296 471 H C 1.493 176.915 175.328 0.156 0.000 1.062 471 H CA 1.657 57.706 56.048 0.000 0.000 1.350 471 H CB 0.077 29.788 29.762 -0.086 0.000 1.403 471 H HN 0.256 nan 8.280 nan 0.000 0.533 472 Y N -0.905 119.527 120.300 0.220 0.000 2.163 472 Y HA -0.221 4.329 4.550 -0.001 0.000 0.288 472 Y C 2.487 178.573 175.900 0.311 0.000 1.136 472 Y CA 0.984 59.257 58.100 0.289 0.000 1.147 472 Y CB -1.038 37.797 38.460 0.624 0.000 0.987 472 Y HN 0.342 nan 8.280 nan 0.000 0.509 473 W N -0.421 120.975 121.300 0.161 0.000 2.333 473 W HA -0.251 4.409 4.660 -0.000 0.000 0.316 473 W C 2.570 179.077 176.519 -0.020 0.000 1.215 473 W CA 1.189 58.554 57.345 0.034 0.000 1.278 473 W CB -0.485 28.920 29.460 -0.092 0.000 1.154 473 W HN 0.058 nan 8.180 nan 0.000 0.486 474 A N -0.200 122.717 122.820 0.160 0.000 1.929 474 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 474 A C 1.803 179.355 177.584 -0.053 0.000 1.176 474 A CA 2.044 54.090 52.037 0.016 0.000 0.628 474 A CB -1.138 17.866 19.000 0.006 0.000 0.816 474 A HN 0.192 nan 8.150 nan 0.000 0.444 475 T N -0.674 113.803 114.554 -0.128 0.000 2.821 475 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 475 T C 1.588 176.224 174.700 -0.106 0.000 1.046 475 T CA 1.540 63.531 62.100 -0.181 0.000 1.139 475 T CB -0.373 68.321 68.868 -0.291 0.000 0.871 475 T HN 0.531 nan 8.240 nan 0.000 0.454 476 F N 2.219 122.060 119.950 -0.181 0.000 2.186 476 F HA 0.111 4.638 4.527 -0.001 0.000 0.299 476 F C 2.366 178.068 175.800 -0.163 0.000 1.090 476 F CA 0.844 58.703 58.000 -0.235 0.000 1.307 476 F CB -0.533 38.257 39.000 -0.350 0.000 1.019 476 F HN 0.126 nan 8.300 nan 0.000 0.489 477 A N 0.124 122.816 122.820 -0.214 0.000 1.969 477 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 477 A C 2.267 179.697 177.584 -0.257 0.000 1.169 477 A CA 1.742 53.621 52.037 -0.263 0.000 0.635 477 A CB -0.732 18.211 19.000 -0.094 0.000 0.810 477 A HN 0.470 nan 8.150 nan 0.000 0.445 478 K N -1.057 119.228 120.400 -0.191 0.000 2.103 478 K HA -0.093 4.227 4.320 -0.001 0.000 0.204 478 K C 1.896 178.397 176.600 -0.164 0.000 1.052 478 K CA 1.768 57.971 56.287 -0.139 0.000 0.945 478 K CB 0.011 32.452 32.500 -0.098 0.000 0.722 478 K HN 0.670 nan 8.250 nan 0.000 0.443 479 T N -5.791 108.628 114.554 -0.225 0.000 2.954 479 T HA 0.248 4.598 4.350 -0.001 0.000 0.252 479 T C 1.152 175.698 174.700 -0.255 0.000 0.983 479 T CA 0.457 62.439 62.100 -0.197 0.000 0.941 479 T CB 1.092 69.878 68.868 -0.137 0.000 1.141 479 T HN 0.235 nan 8.240 nan 0.000 0.500 480 G N 1.486 109.991 108.800 -0.492 0.000 2.159 480 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.227 480 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.227 480 G C -0.231 174.583 174.900 -0.143 0.000 0.986 480 G CA -0.005 44.781 45.100 -0.523 0.000 0.651 480 G HN 0.845 nan 8.290 nan 0.000 0.523 481 N N -0.150 118.460 118.700 -0.150 0.000 2.397 481 N HA 0.468 5.208 4.740 -0.001 0.000 0.291 481 N C -1.918 173.447 175.510 -0.243 0.000 1.065 481 N CA -1.499 51.437 53.050 -0.190 0.000 0.884 481 N CB 2.668 41.119 38.487 -0.061 0.000 1.551 481 N HN -0.061 nan 8.380 nan 0.000 0.487 482 P HA 0.007 nan 4.420 nan 0.000 0.231 482 P C -0.408 176.916 177.300 0.040 0.000 1.168 482 P CA 0.425 63.395 63.100 -0.217 0.000 0.779 482 P CB 0.427 31.779 31.700 -0.580 0.000 0.844 483 N N 1.441 120.128 118.700 -0.023 0.000 2.530 483 N HA 0.084 4.824 4.740 -0.001 0.000 0.277 483 N C 0.364 175.919 175.510 0.074 0.000 1.168 483 N CA -0.062 53.062 53.050 0.123 0.000 0.979 483 N CB 0.844 39.402 38.487 0.118 0.000 1.141 483 N HN 0.050 nan 8.380 nan 0.000 0.459 484 E N 1.779 122.053 120.200 0.123 0.000 2.344 484 E HA 0.075 4.425 4.350 -0.001 0.000 0.270 484 E C -1.312 175.287 176.600 -0.002 0.000 1.021 484 E CA -1.458 54.991 56.400 0.081 0.000 0.887 484 E CB 0.751 30.538 29.700 0.145 0.000 0.997 484 E HN 0.319 nan 8.360 nan 0.000 0.429 485 P HA -0.194 nan 4.420 nan 0.000 0.219 485 P C 0.494 177.521 177.300 -0.455 0.000 1.161 485 P CA 1.696 64.589 63.100 -0.345 0.000 0.909 485 P CB 0.190 31.621 31.700 -0.448 0.000 0.793 486 H N -3.049 116.061 119.070 0.067 0.000 2.916 486 H HA 0.258 4.813 4.556 -0.001 0.000 0.262 486 H C 0.689 176.057 175.328 0.067 0.000 1.178 486 H CA -0.260 55.825 56.048 0.062 0.000 1.090 486 H CB -0.197 29.593 29.762 0.048 0.000 1.657 486 H HN 0.110 nan 8.280 nan 0.000 0.601 487 S N 0.848 116.635 115.700 0.145 0.000 2.553 487 S HA -0.091 4.379 4.470 -0.001 0.000 0.271 487 S C 1.278 175.950 174.600 0.120 0.000 1.362 487 S CA 0.216 58.493 58.200 0.127 0.000 1.010 487 S CB 1.047 64.324 63.200 0.129 0.000 0.865 487 S HN 0.289 nan 8.310 nan 0.000 0.543 488 Q N 0.260 120.118 119.800 0.097 0.000 2.319 488 Q HA 0.196 4.536 4.340 -0.001 0.000 0.209 488 Q C -0.106 175.945 176.000 0.085 0.000 0.884 488 Q CA 0.150 56.004 55.803 0.083 0.000 0.938 488 Q CB 0.042 28.817 28.738 0.063 0.000 1.098 488 Q HN 0.687 nan 8.270 nan 0.000 0.517 489 E N 1.033 121.292 120.200 0.098 0.000 2.422 489 E HA 0.079 4.429 4.350 -0.001 0.000 0.260 489 E C -0.095 176.583 176.600 0.130 0.000 1.108 489 E CA -0.025 56.441 56.400 0.109 0.000 0.943 489 E CB 0.450 30.229 29.700 0.131 0.000 0.961 489 E HN -0.158 nan 8.360 nan 0.000 0.443 490 S N 1.300 117.077 115.700 0.129 0.000 2.560 490 S HA 0.053 4.523 4.470 -0.001 0.000 0.284 490 S C 0.050 174.764 174.600 0.191 0.000 1.327 490 S CA -0.345 57.934 58.200 0.132 0.000 1.055 490 S CB 0.315 63.575 63.200 0.099 0.000 0.868 490 S HN 0.140 nan 8.310 nan 0.000 0.506 491 K N 2.634 123.142 120.400 0.180 0.000 2.258 491 K HA 0.135 4.455 4.320 -0.001 0.000 0.284 491 K C -0.385 176.389 176.600 0.291 0.000 1.051 491 K CA -0.459 55.967 56.287 0.232 0.000 0.923 491 K CB 0.436 33.051 32.500 0.192 0.000 1.046 491 K HN 0.643 nan 8.250 nan 0.000 0.474 492 W N 7.496 128.858 121.300 0.104 0.000 2.546 492 W HA 0.132 4.791 4.660 -0.001 0.000 0.323 492 W C -2.226 174.416 176.519 0.205 0.000 1.272 492 W CA -2.359 55.043 57.345 0.096 0.000 1.404 492 W CB -0.204 29.231 29.460 -0.041 0.000 1.411 492 W HN 0.413 nan 8.180 nan 0.000 0.480 493 P HA 0.013 nan 4.420 nan 0.000 0.274 493 P C -0.567 176.943 177.300 0.350 0.000 1.237 493 P CA -0.486 62.834 63.100 0.367 0.000 0.793 493 P CB 1.458 33.290 31.700 0.221 0.000 0.977 494 L N 2.231 123.518 121.223 0.106 0.000 2.397 494 L HA 0.301 4.640 4.340 -0.001 0.000 0.271 494 L C -0.191 176.677 176.870 -0.005 0.000 1.148 494 L CA -0.434 54.272 54.840 -0.223 0.000 0.825 494 L CB -0.593 41.329 42.059 -0.229 0.000 1.117 494 L HN 0.225 nan 8.230 nan 0.000 0.456 495 F N 3.867 123.721 119.950 -0.159 0.000 2.420 495 F HA 0.559 5.085 4.527 -0.001 0.000 0.352 495 F C 0.157 175.931 175.800 -0.043 0.000 1.108 495 F CA -0.207 57.786 58.000 -0.013 0.000 1.162 495 F CB 0.788 39.812 39.000 0.040 0.000 1.118 495 F HN 0.655 nan 8.300 nan 0.000 0.510 496 T N 1.077 115.383 114.554 -0.412 0.000 2.916 496 T HA 0.274 4.624 4.350 -0.001 0.000 0.292 496 T C 0.831 175.281 174.700 -0.417 0.000 1.055 496 T CA -0.436 61.516 62.100 -0.247 0.000 1.009 496 T CB 1.443 70.217 68.868 -0.157 0.000 1.118 496 T HN 0.529 nan 8.240 nan 0.000 0.497 497 T N 0.552 115.013 114.554 -0.155 0.000 2.737 497 T HA -0.107 4.242 4.350 -0.001 0.000 0.269 497 T C 1.703 176.312 174.700 -0.151 0.000 1.040 497 T CA 1.623 63.660 62.100 -0.105 0.000 1.142 497 T CB -0.229 68.611 68.868 -0.047 0.000 0.861 497 T HN 0.686 nan 8.240 nan 0.000 0.456 498 K N 0.328 120.640 120.400 -0.148 0.000 2.029 498 K HA -0.052 4.267 4.320 -0.001 0.000 0.205 498 K C 2.312 178.833 176.600 -0.131 0.000 1.042 498 K CA 0.891 57.111 56.287 -0.112 0.000 0.949 498 K CB 0.149 32.601 32.500 -0.079 0.000 0.740 498 K HN 0.103 nan 8.250 nan 0.000 0.442 499 E N 0.781 120.882 120.200 -0.165 0.000 2.112 499 E HA -0.120 4.229 4.350 -0.001 0.000 0.190 499 E C 0.148 176.628 176.600 -0.200 0.000 0.979 499 E CA 0.588 56.904 56.400 -0.139 0.000 0.814 499 E CB -0.044 29.592 29.700 -0.106 0.000 0.762 499 E HN 0.320 nan 8.360 nan 0.000 0.460 500 Q N 0.459 119.973 119.800 -0.477 0.000 2.475 500 Q HA -0.194 4.145 4.340 -0.001 0.000 0.280 500 Q C -0.631 175.297 176.000 -0.119 0.000 1.234 500 Q CA 0.629 55.979 55.803 -0.755 0.000 0.873 500 Q CB -1.649 26.900 28.738 -0.315 0.000 1.256 500 Q HN 0.221 nan 8.270 nan 0.000 0.475 501 K N 0.553 120.931 120.400 -0.036 0.000 2.295 501 K HA 0.513 4.833 4.320 -0.001 0.000 0.270 501 K C 0.050 176.958 176.600 0.512 0.000 1.011 501 K CA 0.255 56.661 56.287 0.199 0.000 0.953 501 K CB 0.410 32.971 32.500 0.102 0.000 0.956 501 K HN 0.205 nan 8.250 nan 0.000 0.477 502 F N -0.096 120.029 119.950 0.292 0.000 2.715 502 F HA 0.635 5.162 4.527 -0.001 0.000 0.318 502 F C -1.078 174.849 175.800 0.211 0.000 1.141 502 F CA -1.534 56.673 58.000 0.345 0.000 0.950 502 F CB 0.753 39.968 39.000 0.359 0.000 1.374 502 F HN 0.427 nan 8.300 nan 0.000 0.477 503 I N -0.908 119.792 120.570 0.217 0.000 2.892 503 I HA 0.637 4.807 4.170 -0.001 0.000 0.306 503 I C -1.227 175.023 176.117 0.221 0.000 1.078 503 I CA -0.853 60.403 61.300 -0.073 0.000 1.032 503 I CB 2.183 39.935 38.000 -0.413 0.000 1.229 503 I HN 0.481 nan 8.210 nan 0.000 0.435 504 D N 3.008 123.508 120.400 0.166 0.000 2.312 504 D HA 0.458 5.098 4.640 -0.001 0.000 0.248 504 D C -0.953 175.425 176.300 0.130 0.000 1.086 504 D CA -0.018 54.182 54.000 0.333 0.000 0.948 504 D CB 2.339 43.335 40.800 0.327 0.000 1.162 504 D HN 0.267 nan 8.370 nan 0.000 0.446 505 L N 2.655 123.954 121.223 0.126 0.000 2.401 505 L HA 0.261 4.601 4.340 -0.001 0.000 0.263 505 L C -0.930 175.861 176.870 -0.132 0.000 1.004 505 L CA -0.411 54.449 54.840 0.033 0.000 0.881 505 L CB -0.014 42.133 42.059 0.146 0.000 1.219 505 L HN 0.455 nan 8.230 nan 0.000 0.441 506 N N -0.758 117.877 118.700 -0.108 0.000 3.277 506 N HA 0.295 5.035 4.740 -0.001 0.000 0.278 506 N C 0.517 175.929 175.510 -0.164 0.000 1.544 506 N CA -0.142 52.795 53.050 -0.188 0.000 0.869 506 N CB 0.287 38.712 38.487 -0.103 0.000 1.584 506 N HN 0.052 nan 8.380 nan 0.000 0.564 507 T N -3.610 110.790 114.554 -0.257 0.000 3.098 507 T HA 0.052 4.402 4.350 -0.001 0.000 0.266 507 T C 0.126 174.778 174.700 -0.081 0.000 1.145 507 T CA 0.936 62.912 62.100 -0.207 0.000 1.092 507 T CB -0.428 68.257 68.868 -0.306 0.000 0.908 507 T HN 0.531 nan 8.240 nan 0.000 0.526 508 E N 1.787 121.962 120.200 -0.042 0.000 2.322 508 E HA 0.440 4.789 4.350 -0.001 0.000 0.257 508 E C -2.651 173.948 176.600 -0.003 0.000 1.155 508 E CA -2.320 54.075 56.400 -0.009 0.000 0.936 508 E CB 0.090 29.798 29.700 0.014 0.000 1.130 508 E HN 0.151 nan 8.360 nan 0.000 0.465 509 P HA -0.023 nan 4.420 nan 0.000 0.267 509 P C -0.537 176.764 177.300 0.001 0.000 1.209 509 P CA 0.134 63.238 63.100 0.008 0.000 0.763 509 P CB 0.359 32.064 31.700 0.008 0.000 0.816 510 M N 3.759 123.364 119.600 0.009 0.000 2.274 510 M HA -0.078 4.401 4.480 -0.001 0.000 0.377 510 M C -0.336 175.927 176.300 -0.062 0.000 1.428 510 M CA 1.257 56.549 55.300 -0.013 0.000 0.907 510 M CB -0.110 32.502 32.600 0.020 0.000 1.974 510 M HN 0.271 nan 8.290 nan 0.000 0.479 511 K N 4.199 124.524 120.400 -0.125 0.000 2.292 511 K HA 0.543 4.862 4.320 -0.001 0.000 0.257 511 K C -1.247 175.060 176.600 -0.488 0.000 0.940 511 K CA -0.819 55.302 56.287 -0.277 0.000 0.811 511 K CB 2.305 34.624 32.500 -0.301 0.000 1.120 511 K HN 0.519 nan 8.250 nan 0.000 0.428 512 V N 4.100 123.730 119.914 -0.474 0.000 2.617 512 V HA 0.343 4.463 4.120 -0.001 0.000 0.298 512 V C 0.015 175.686 176.094 -0.704 0.000 1.048 512 V CA -0.392 61.632 62.300 -0.459 0.000 0.964 512 V CB 1.185 32.892 31.823 -0.195 0.000 1.004 512 V HN 0.757 nan 8.190 nan 0.000 0.466 513 H N 2.467 121.207 119.070 -0.550 0.000 2.959 513 H HA 0.616 5.171 4.556 -0.001 0.000 0.296 513 H C -1.180 173.891 175.328 -0.429 0.000 1.421 513 H CA -0.809 54.902 56.048 -0.561 0.000 1.206 513 H CB 2.161 31.414 29.762 -0.849 0.000 1.891 513 H HN 0.568 nan 8.280 nan 0.000 0.573 514 Q N 0.009 119.847 119.800 0.064 0.000 2.495 514 Q HA 0.405 4.744 4.340 -0.001 0.000 0.287 514 Q C -0.715 175.528 176.000 0.404 0.000 1.078 514 Q CA -1.015 54.938 55.803 0.250 0.000 0.793 514 Q CB 2.851 31.655 28.738 0.111 0.000 1.459 514 Q HN 0.434 nan 8.270 nan 0.000 0.422 515 R N 0.894 121.603 120.500 0.348 0.000 3.059 515 R HA -0.208 4.131 4.340 -0.001 0.000 0.251 515 R C -0.584 175.851 176.300 0.224 0.000 0.886 515 R CA -0.125 56.128 56.100 0.254 0.000 0.634 515 R CB -1.435 28.958 30.300 0.156 0.000 1.282 515 R HN 0.395 nan 8.270 nan 0.000 0.487 516 L N 2.368 123.655 121.223 0.107 0.000 2.745 516 L HA -0.031 4.309 4.340 -0.001 0.000 0.273 516 L C 0.784 177.597 176.870 -0.095 0.000 1.156 516 L CA 0.772 55.426 54.840 -0.310 0.000 0.982 516 L CB -0.377 41.168 42.059 -0.857 0.000 1.295 516 L HN 0.491 nan 8.230 nan 0.000 0.483 517 R N 2.005 122.474 120.500 -0.052 0.000 3.516 517 R HA -0.205 4.135 4.340 -0.001 0.000 0.271 517 R C 1.254 177.611 176.300 0.096 0.000 1.098 517 R CA 0.600 56.719 56.100 0.033 0.000 0.732 517 R CB -2.176 28.164 30.300 0.066 0.000 1.152 517 R HN 0.739 nan 8.270 nan 0.000 0.455 518 V N -2.357 117.613 119.914 0.094 0.000 2.231 518 V HA -0.378 3.741 4.120 -0.001 0.000 0.248 518 V C 2.296 178.462 176.094 0.121 0.000 1.054 518 V CA 2.232 64.601 62.300 0.115 0.000 1.015 518 V CB -0.615 31.268 31.823 0.099 0.000 0.638 518 V HN 0.316 nan 8.190 nan 0.000 0.444 519 Q N -0.378 119.473 119.800 0.085 0.000 2.082 519 Q HA -0.236 4.104 4.340 -0.001 0.000 0.211 519 Q C 2.134 178.194 176.000 0.101 0.000 1.002 519 Q CA 2.557 58.398 55.803 0.063 0.000 0.868 519 Q CB -0.448 28.299 28.738 0.015 0.000 0.931 519 Q HN 0.590 nan 8.270 nan 0.000 0.414 520 M N -1.583 118.101 119.600 0.140 0.000 2.288 520 M HA -0.077 4.402 4.480 -0.001 0.000 0.266 520 M C 2.294 178.878 176.300 0.473 0.000 1.072 520 M CA 0.782 56.238 55.300 0.260 0.000 1.132 520 M CB -0.976 31.821 32.600 0.329 0.000 1.386 520 M HN 0.312 nan 8.290 nan 0.000 0.432 521 c N -0.360 118.461 118.600 0.369 0.000 2.468 521 c HA 0.006 4.576 4.570 -0.001 0.000 0.277 521 c C 2.869 177.148 174.090 0.315 0.000 1.400 521 c CA 0.147 56.704 56.329 0.381 0.000 1.770 521 c CB -0.795 41.870 42.510 0.259 0.000 1.905 521 c HN 0.297 nan 8.230 nan 0.000 0.519 522 V N 0.538 120.603 119.914 0.251 0.000 2.453 522 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 522 V C 2.035 178.265 176.094 0.227 0.000 1.048 522 V CA 2.019 64.440 62.300 0.202 0.000 1.049 522 V CB -0.784 31.131 31.823 0.153 0.000 0.672 522 V HN 0.565 nan 8.190 nan 0.000 0.457 523 F N 0.078 120.089 119.950 0.101 0.000 2.102 523 F HA -0.197 4.330 4.527 -0.001 0.000 0.298 523 F C 1.972 177.806 175.800 0.057 0.000 1.105 523 F CA 1.779 59.803 58.000 0.039 0.000 1.239 523 F CB -0.362 38.541 39.000 -0.161 0.000 0.991 523 F HN 0.167 nan 8.300 nan 0.000 0.474 524 W N 0.457 121.859 121.300 0.170 0.000 2.476 524 W HA -0.052 4.607 4.660 -0.001 0.000 0.281 524 W C 1.984 178.485 176.519 -0.029 0.000 1.230 524 W CA 0.678 58.049 57.345 0.043 0.000 1.287 524 W CB -0.392 29.220 29.460 0.254 0.000 1.108 524 W HN -0.044 nan 8.180 nan 0.000 0.567 525 N N -0.577 118.258 118.700 0.224 0.000 2.392 525 N HA -0.002 4.738 4.740 -0.001 0.000 0.177 525 N C 1.242 176.755 175.510 0.004 0.000 1.066 525 N CA 0.849 53.939 53.050 0.066 0.000 0.895 525 N CB 0.144 38.675 38.487 0.073 0.000 0.988 525 N HN 0.397 nan 8.380 nan 0.000 0.457 526 Q N -1.334 118.485 119.800 0.031 0.000 2.620 526 Q HA 0.200 4.540 4.340 -0.001 0.000 0.232 526 Q C 1.127 177.105 176.000 -0.036 0.000 0.836 526 Q CA -0.220 55.593 55.803 0.016 0.000 0.938 526 Q CB 0.112 28.899 28.738 0.081 0.000 1.242 526 Q HN 0.083 nan 8.270 nan 0.000 0.624 527 F N 2.124 121.982 119.950 -0.154 0.000 2.039 527 F HA -0.165 4.361 4.527 -0.001 0.000 0.294 527 F C 1.988 177.600 175.800 -0.313 0.000 1.130 527 F CA 1.149 59.024 58.000 -0.208 0.000 1.189 527 F CB -0.350 38.537 39.000 -0.188 0.000 0.983 527 F HN 0.059 nan 8.300 nan 0.000 0.471 528 L N 1.288 122.067 121.223 -0.740 0.000 2.012 528 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 528 L C -0.887 175.709 176.870 -0.457 0.000 1.073 528 L CA 2.220 56.605 54.840 -0.759 0.000 0.748 528 L CB -2.036 39.462 42.059 -0.936 0.000 0.891 528 L HN 0.024 nan 8.230 nan 0.000 0.431 529 P HA -0.217 nan 4.420 nan 0.000 0.215 529 P C 1.450 178.624 177.300 -0.210 0.000 1.153 529 P CA 1.675 64.676 63.100 -0.165 0.000 0.853 529 P CB -0.088 31.550 31.700 -0.103 0.000 0.788 530 K N -0.225 120.007 120.400 -0.281 0.000 2.148 530 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 530 K C 1.961 178.368 176.600 -0.322 0.000 1.050 530 K CA 0.844 56.973 56.287 -0.262 0.000 0.942 530 K CB -0.580 31.770 32.500 -0.250 0.000 0.724 530 K HN 0.102 nan 8.250 nan 0.000 0.446 531 L N 0.571 121.494 121.223 -0.500 0.000 2.131 531 L HA -0.039 4.300 4.340 -0.001 0.000 0.206 531 L C 1.820 178.541 176.870 -0.248 0.000 1.087 531 L CA 0.889 55.466 54.840 -0.437 0.000 0.767 531 L CB -0.056 41.606 42.059 -0.662 0.000 0.917 531 L HN 0.190 nan 8.230 nan 0.000 0.441 532 L N 0.056 121.146 121.223 -0.222 0.000 2.201 532 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 532 L C 2.314 179.126 176.870 -0.096 0.000 1.105 532 L CA 1.192 55.952 54.840 -0.133 0.000 0.775 532 L CB -0.777 41.223 42.059 -0.098 0.000 0.913 532 L HN 0.444 nan 8.230 nan 0.000 0.440 533 N N 0.395 119.032 118.700 -0.106 0.000 2.396 533 N HA -0.098 4.642 4.740 -0.001 0.000 0.180 533 N C 1.635 177.103 175.510 -0.069 0.000 1.028 533 N CA 0.917 53.922 53.050 -0.075 0.000 0.893 533 N CB 0.301 38.743 38.487 -0.074 0.000 0.967 533 N HN 0.323 nan 8.380 nan 0.000 0.440 534 A N 0.069 122.837 122.820 -0.086 0.000 2.147 534 A HA 0.101 4.421 4.320 -0.001 0.000 0.211 534 A C 1.090 178.641 177.584 -0.055 0.000 1.160 534 A CA 0.462 52.459 52.037 -0.067 0.000 0.781 534 A CB -0.058 18.896 19.000 -0.076 0.000 0.842 534 A HN 0.421 nan 8.150 nan 0.000 0.475 535 T N 0.000 114.516 114.554 -0.063 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.070 62.100 -0.050 0.000 1.349 535 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658