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 2dkb_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.885 176.870 0.025 0.000 1.165 3 L CA 0.000 54.850 54.840 0.016 0.000 0.813 3 L CB 0.000 42.074 42.059 0.025 0.000 0.961 4 N N 0.558 119.288 118.700 0.049 0.000 2.381 4 N HA -0.032 4.708 4.740 0.001 0.000 0.182 4 N C -0.559 175.111 175.510 0.267 0.000 1.025 4 N CA 0.746 53.859 53.050 0.104 0.000 0.888 4 N CB 0.173 38.732 38.487 0.120 0.000 0.965 4 N HN 0.511 nan 8.380 nan 0.000 0.438 5 D N 1.562 122.067 120.400 0.175 0.000 2.713 5 D HA 0.013 4.653 4.640 0.001 0.000 0.229 5 D C -0.362 176.071 176.300 0.223 0.000 1.136 5 D CA 0.149 54.269 54.000 0.200 0.000 1.010 5 D CB -0.212 40.631 40.800 0.071 0.000 1.084 5 D HN 0.061 nan 8.370 nan 0.000 0.495 6 D N 0.500 121.093 120.400 0.322 0.000 2.317 6 D HA 0.241 4.881 4.640 0.001 0.000 0.234 6 D C 1.041 177.543 176.300 0.336 0.000 1.112 6 D CA -0.614 53.519 54.000 0.221 0.000 0.840 6 D CB 1.568 42.422 40.800 0.090 0.000 1.078 6 D HN 0.122 nan 8.370 nan 0.000 0.486 7 A N 3.521 126.471 122.820 0.217 0.000 1.865 7 A HA -0.187 4.134 4.320 0.001 0.000 0.217 7 A C 2.030 179.702 177.584 0.146 0.000 1.191 7 A CA 1.991 54.138 52.037 0.183 0.000 0.623 7 A CB -0.711 18.352 19.000 0.104 0.000 0.826 7 A HN 0.654 nan 8.150 nan 0.000 0.444 8 T N -0.847 113.765 114.554 0.097 0.000 2.708 8 T HA -0.130 4.220 4.350 0.001 0.000 0.266 8 T C 1.609 176.312 174.700 0.006 0.000 1.037 8 T CA 1.513 63.636 62.100 0.037 0.000 1.146 8 T CB -0.451 68.436 68.868 0.030 0.000 0.865 8 T HN 0.450 nan 8.240 nan 0.000 0.435 9 F N 0.668 120.542 119.950 -0.126 0.000 2.025 9 F HA -0.178 4.349 4.527 0.001 0.000 0.297 9 F C 1.949 177.546 175.800 -0.337 0.000 1.132 9 F CA 1.456 59.275 58.000 -0.303 0.000 1.191 9 F CB -0.601 38.112 39.000 -0.478 0.000 0.963 9 F HN 0.202 nan 8.300 nan 0.000 0.481 10 W N 0.551 121.957 121.300 0.175 0.000 2.350 10 W HA -0.156 4.505 4.660 0.001 0.000 0.289 10 W C 2.776 179.223 176.519 -0.120 0.000 1.215 10 W CA 1.533 58.895 57.345 0.029 0.000 1.236 10 W CB -0.603 28.934 29.460 0.128 0.000 1.130 10 W HN -0.002 nan 8.180 nan 0.000 0.541 11 R N 0.696 121.207 120.500 0.017 0.000 2.073 11 R HA -0.175 4.165 4.340 0.001 0.000 0.234 11 R C 1.910 177.971 176.300 -0.399 0.000 1.134 11 R CA 1.841 57.815 56.100 -0.210 0.000 0.952 11 R CB -0.539 29.622 30.300 -0.233 0.000 0.850 11 R HN 0.078 nan 8.270 nan 0.000 0.433 12 N N 0.500 119.024 118.700 -0.293 0.000 2.166 12 N HA -0.136 4.604 4.740 0.001 0.000 0.186 12 N C 1.524 176.914 175.510 -0.201 0.000 1.019 12 N CA 1.527 54.455 53.050 -0.203 0.000 0.856 12 N CB -0.325 38.065 38.487 -0.163 0.000 0.993 12 N HN 0.347 nan 8.380 nan 0.000 0.426 13 A N 1.239 123.855 122.820 -0.340 0.000 1.898 13 A HA -0.072 4.248 4.320 0.001 0.000 0.216 13 A C 2.222 179.778 177.584 -0.046 0.000 1.181 13 A CA 1.104 52.962 52.037 -0.299 0.000 0.620 13 A CB -0.345 18.355 19.000 -0.500 0.000 0.819 13 A HN 0.235 nan 8.150 nan 0.000 0.442 14 R N -1.572 118.953 120.500 0.041 0.000 2.115 14 R HA -0.080 4.260 4.340 0.001 0.000 0.230 14 R C 1.905 178.285 176.300 0.134 0.000 1.111 14 R CA 1.404 57.584 56.100 0.134 0.000 0.976 14 R CB -0.319 30.086 30.300 0.175 0.000 0.870 14 R HN 0.601 nan 8.270 nan 0.000 0.445 15 H N -1.153 117.803 119.070 -0.190 0.000 2.497 15 H HA 0.088 4.645 4.556 0.001 0.000 0.282 15 H C 1.086 176.121 175.328 -0.489 0.000 1.003 15 H CA 0.850 56.666 56.048 -0.385 0.000 1.307 15 H CB 0.288 29.611 29.762 -0.732 0.000 1.437 15 H HN 0.237 nan 8.280 nan 0.000 0.544 16 H N -0.891 118.248 119.070 0.115 0.000 2.784 16 H HA 0.302 4.859 4.556 0.001 0.000 0.273 16 H C -0.012 175.341 175.328 0.041 0.000 1.112 16 H CA -0.035 56.045 56.048 0.053 0.000 1.162 16 H CB 1.217 30.985 29.762 0.010 0.000 1.586 16 H HN 0.113 nan 8.280 nan 0.000 0.548 17 L N 1.115 122.423 121.223 0.142 0.000 2.334 17 L HA 0.360 4.700 4.340 0.001 0.000 0.276 17 L C 0.123 177.120 176.870 0.212 0.000 1.014 17 L CA -1.003 53.937 54.840 0.166 0.000 0.815 17 L CB 2.737 44.886 42.059 0.150 0.000 1.268 17 L HN -0.222 nan 8.230 nan 0.000 0.428 18 V N 2.837 122.894 119.914 0.238 0.000 2.614 18 V HA 0.213 4.334 4.120 0.001 0.000 0.291 18 V C 0.383 176.660 176.094 0.305 0.000 1.049 18 V CA -0.334 62.103 62.300 0.228 0.000 1.038 18 V CB 1.129 33.078 31.823 0.210 0.000 0.980 18 V HN 0.656 nan 8.190 nan 0.000 0.481 19 R N 3.878 124.478 120.500 0.167 0.000 2.265 19 R HA 0.307 4.647 4.340 0.001 0.000 0.314 19 R C -0.338 175.964 176.300 0.004 0.000 1.053 19 R CA -0.214 55.878 56.100 -0.013 0.000 0.931 19 R CB 0.520 30.762 30.300 -0.096 0.000 1.024 19 R HN 0.851 nan 8.270 nan 0.000 0.457 20 Y N -0.399 119.888 120.300 -0.022 0.000 2.696 20 Y HA 0.549 5.100 4.550 0.001 0.000 0.260 20 Y C 0.396 176.276 175.900 -0.034 0.000 1.165 20 Y CA -0.522 57.579 58.100 0.001 0.000 1.189 20 Y CB 0.709 39.202 38.460 0.056 0.000 1.180 20 Y HN 0.729 nan 8.280 nan 0.000 0.538 21 G N -0.715 107.951 108.800 -0.222 0.000 2.465 21 G HA2 0.432 4.392 3.960 0.001 0.000 0.681 21 G HA3 0.432 4.392 3.960 0.001 0.000 0.681 21 G C -0.057 174.649 174.900 -0.322 0.000 1.340 21 G CA -0.423 44.576 45.100 -0.168 0.000 0.884 21 G HN 1.378 nan 8.290 nan 0.000 0.650 22 G N -0.931 107.734 108.800 -0.225 0.000 2.562 22 G HA2 0.423 4.384 3.960 0.001 0.000 0.250 22 G HA3 0.423 4.384 3.960 0.001 0.000 0.250 22 G C 0.532 175.232 174.900 -0.333 0.000 1.269 22 G CA 1.221 46.177 45.100 -0.240 0.000 0.919 22 G HN 2.937 nan 8.290 nan 0.000 0.574 23 T N -1.184 113.169 114.554 -0.336 0.000 3.295 23 T HA 0.528 4.878 4.350 0.001 0.000 0.331 23 T C -0.467 174.109 174.700 -0.206 0.000 1.142 23 T CA -0.328 61.575 62.100 -0.327 0.000 1.078 23 T CB 0.304 69.076 68.868 -0.160 0.000 1.150 23 T HN 1.121 nan 8.240 nan 0.000 0.465 24 F N 3.549 123.501 119.950 0.004 0.000 2.608 24 F HA 0.231 4.759 4.527 0.001 0.000 0.380 24 F C 1.535 177.404 175.800 0.116 0.000 1.083 24 F CA -0.148 57.911 58.000 0.099 0.000 1.266 24 F CB 0.390 39.520 39.000 0.217 0.000 1.076 24 F HN 0.462 nan 8.300 nan 0.000 0.574 25 E N 4.899 125.315 120.200 0.359 0.000 2.398 25 E HA 0.068 4.418 4.350 0.001 0.000 0.263 25 E C -1.907 174.867 176.600 0.290 0.000 1.046 25 E CA -1.392 55.148 56.400 0.233 0.000 0.908 25 E CB 0.234 30.055 29.700 0.201 0.000 0.963 25 E HN 0.256 nan 8.360 nan 0.000 0.431 26 P HA 0.141 nan 4.420 nan 0.000 0.220 26 P C -0.571 176.851 177.300 0.204 0.000 1.793 26 P CA 0.275 63.385 63.100 0.016 0.000 0.917 26 P CB -0.115 31.478 31.700 -0.179 0.000 1.755 27 M N -0.830 118.986 119.600 0.360 0.000 2.719 27 M HA 0.561 5.041 4.480 0.001 0.000 0.291 27 M C -0.437 175.999 176.300 0.225 0.000 1.264 27 M CA -1.201 54.251 55.300 0.253 0.000 0.811 27 M CB 2.130 34.805 32.600 0.125 0.000 1.756 27 M HN -0.327 nan 8.290 nan 0.000 0.464 28 I N 2.639 123.202 120.570 -0.011 0.000 2.382 28 I HA 0.335 4.506 4.170 0.001 0.000 0.285 28 I C -0.806 175.227 176.117 -0.140 0.000 1.007 28 I CA -0.832 60.294 61.300 -0.291 0.000 1.142 28 I CB 1.329 38.926 38.000 -0.672 0.000 1.289 28 I HN 0.498 nan 8.210 nan 0.000 0.453 29 I N 6.387 126.914 120.570 -0.072 0.000 2.471 29 I HA 0.086 4.256 4.170 0.001 0.000 0.286 29 I C 1.227 177.322 176.117 -0.035 0.000 1.079 29 I CA 0.439 61.726 61.300 -0.022 0.000 1.398 29 I CB 0.719 38.723 38.000 0.006 0.000 1.403 29 I HN 0.667 nan 8.210 nan 0.000 0.530 30 E N 4.986 125.182 120.200 -0.006 0.000 2.372 30 E HA 0.172 4.522 4.350 0.001 0.000 0.201 30 E C 0.614 177.223 176.600 0.015 0.000 0.938 30 E CA 0.202 56.595 56.400 -0.012 0.000 0.944 30 E CB 1.132 30.822 29.700 -0.017 0.000 0.937 30 E HN 0.539 nan 8.360 nan 0.000 0.495 31 R N -0.638 119.903 120.500 0.068 0.000 2.734 31 R HA 0.627 4.967 4.340 0.001 0.000 0.271 31 R C -1.900 174.503 176.300 0.172 0.000 1.021 31 R CA -0.383 55.767 56.100 0.084 0.000 0.893 31 R CB 2.034 32.347 30.300 0.022 0.000 1.244 31 R HN 0.008 nan 8.270 nan 0.000 0.464 32 A N 2.277 125.176 122.820 0.132 0.000 2.486 32 A HA 0.736 5.057 4.320 0.001 0.000 0.300 32 A C -1.716 175.999 177.584 0.218 0.000 1.048 32 A CA -0.551 51.525 52.037 0.064 0.000 0.696 32 A CB 1.980 20.799 19.000 -0.301 0.000 1.278 32 A HN 0.477 nan 8.150 nan 0.000 0.405 33 K N 1.036 121.640 120.400 0.340 0.000 2.575 33 K HA 0.580 4.900 4.320 0.001 0.000 0.255 33 K C 0.434 177.259 176.600 0.374 0.000 0.953 33 K CA 0.938 57.429 56.287 0.339 0.000 0.840 33 K CB 1.142 33.809 32.500 0.277 0.000 1.303 33 K HN 2.458 nan 8.250 nan 0.000 0.438 34 G N 2.001 110.975 108.800 0.291 0.000 2.583 34 G HA2 -0.318 3.642 3.960 0.001 0.000 0.292 34 G HA3 -0.318 3.642 3.960 0.001 0.000 0.292 34 G C 0.433 175.474 174.900 0.236 0.000 1.203 34 G CA 0.396 45.639 45.100 0.238 0.000 0.987 34 G HN 0.683 nan 8.290 nan 0.000 0.554 35 S N 0.680 116.465 115.700 0.142 0.000 2.650 35 S HA 0.467 4.937 4.470 0.001 0.000 0.219 35 S C 0.047 174.449 174.600 -0.330 0.000 0.960 35 S CA 0.680 58.816 58.200 -0.106 0.000 0.925 35 S CB -0.222 62.806 63.200 -0.286 0.000 0.775 35 S HN 0.391 nan 8.310 nan 0.000 0.525 36 F N 0.578 120.587 119.950 0.100 0.000 2.593 36 F HA 0.619 5.147 4.527 0.000 0.000 0.320 36 F C -0.105 175.542 175.800 -0.255 0.000 1.060 36 F CA -1.349 56.575 58.000 -0.127 0.000 0.940 36 F CB 1.476 40.272 39.000 -0.340 0.000 1.268 36 F HN -0.154 nan 8.300 nan 0.000 0.475 37 V N -0.786 119.001 119.914 -0.212 0.000 2.864 37 V HA 0.670 4.790 4.120 0.001 0.000 0.314 37 V C -1.804 174.034 176.094 -0.428 0.000 1.073 37 V CA -1.076 61.076 62.300 -0.248 0.000 0.956 37 V CB 1.869 33.585 31.823 -0.178 0.000 1.023 37 V HN 0.644 nan 8.190 nan 0.000 0.435 38 Y N 1.576 121.874 120.300 -0.003 0.000 2.391 38 Y HA 0.596 5.147 4.550 0.001 0.000 0.341 38 Y C 0.144 176.032 175.900 -0.020 0.000 0.965 38 Y CA -0.813 57.285 58.100 -0.004 0.000 1.067 38 Y CB 1.551 39.998 38.460 -0.021 0.000 1.199 38 Y HN 0.988 nan 8.280 nan 0.000 0.450 39 D N 1.022 121.487 120.400 0.109 0.000 2.414 39 D HA 0.243 4.884 4.640 0.001 0.000 0.259 39 D C 1.125 177.447 176.300 0.037 0.000 1.269 39 D CA -0.179 53.852 54.000 0.052 0.000 1.028 39 D CB 0.538 41.359 40.800 0.035 0.000 1.093 39 D HN 0.531 nan 8.370 nan 0.000 0.545 40 A N -0.593 122.221 122.820 -0.010 0.000 2.121 40 A HA -0.122 4.199 4.320 0.001 0.000 0.218 40 A C 1.305 178.884 177.584 -0.008 0.000 1.154 40 A CA 1.159 53.177 52.037 -0.032 0.000 0.679 40 A CB -0.487 18.465 19.000 -0.080 0.000 0.795 40 A HN 0.509 nan 8.150 nan 0.000 0.458 41 D N -1.182 119.225 120.400 0.012 0.000 2.339 41 D HA 0.251 4.892 4.640 0.001 0.000 0.217 41 D C 1.383 177.698 176.300 0.025 0.000 1.050 41 D CA 0.987 54.995 54.000 0.013 0.000 0.856 41 D CB 0.120 40.929 40.800 0.015 0.000 0.922 41 D HN 0.541 nan 8.370 nan 0.000 0.518 42 G N 1.835 110.665 108.800 0.049 0.000 2.162 42 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 42 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 42 G C 0.522 175.520 174.900 0.163 0.000 0.976 42 G CA 0.043 45.192 45.100 0.081 0.000 0.655 42 G HN 0.396 nan 8.290 nan 0.000 0.533 43 R N 0.748 121.316 120.500 0.114 0.000 2.489 43 R HA 0.540 4.880 4.340 0.001 0.000 0.287 43 R C 0.769 177.109 176.300 0.067 0.000 1.053 43 R CA 0.383 56.531 56.100 0.079 0.000 1.036 43 R CB 0.203 30.524 30.300 0.035 0.000 0.966 43 R HN 0.602 nan 8.270 nan 0.000 0.432 44 A N 6.003 128.822 122.820 -0.002 0.000 2.362 44 A HA 0.367 4.688 4.320 0.001 0.000 0.276 44 A C -0.269 177.261 177.584 -0.091 0.000 1.153 44 A CA -0.456 51.422 52.037 -0.265 0.000 0.813 44 A CB 0.306 19.079 19.000 -0.378 0.000 1.081 44 A HN 0.768 nan 8.150 nan 0.000 0.507 45 I N 2.943 123.459 120.570 -0.090 0.000 2.382 45 I HA 0.186 4.356 4.170 0.001 0.000 0.286 45 I C -0.460 175.693 176.117 0.060 0.000 1.002 45 I CA -0.722 60.585 61.300 0.012 0.000 1.135 45 I CB 1.757 39.734 38.000 -0.038 0.000 1.288 45 I HN 0.605 nan 8.210 nan 0.000 0.448 46 L N 6.644 127.862 121.223 -0.007 0.000 2.500 46 L HA 0.134 4.474 4.340 0.001 0.000 0.272 46 L C 0.307 177.077 176.870 -0.166 0.000 1.149 46 L CA 0.453 55.084 54.840 -0.348 0.000 0.897 46 L CB 0.076 41.902 42.059 -0.389 0.000 1.178 46 L HN 0.458 nan 8.230 nan 0.000 0.473 47 D N 4.534 124.866 120.400 -0.113 0.000 2.508 47 D HA -0.035 4.606 4.640 0.001 0.000 0.224 47 D C 0.651 177.050 176.300 0.166 0.000 1.171 47 D CA 0.019 54.056 54.000 0.063 0.000 1.006 47 D CB -0.077 40.819 40.800 0.161 0.000 1.073 47 D HN 0.445 nan 8.370 nan 0.000 0.513 48 F N 1.050 120.948 119.950 -0.086 0.000 2.805 48 F HA -0.009 4.518 4.527 0.000 0.000 0.301 48 F C 2.092 177.866 175.800 -0.043 0.000 1.196 48 F CA 0.635 58.589 58.000 -0.078 0.000 1.439 48 F CB -0.171 38.779 39.000 -0.082 0.000 1.117 48 F HN 0.308 nan 8.300 nan 0.000 0.581 49 T N -5.719 108.888 114.554 0.089 0.000 3.111 49 T HA 0.145 4.495 4.350 0.001 0.000 0.284 49 T C 0.762 175.463 174.700 0.001 0.000 0.983 49 T CA 0.393 62.510 62.100 0.028 0.000 0.900 49 T CB -0.290 68.611 68.868 0.056 0.000 1.132 49 T HN -0.087 nan 8.240 nan 0.000 0.531 50 S N 1.089 116.784 115.700 -0.008 0.000 3.614 50 S HA -0.035 4.436 4.470 0.001 0.000 0.360 50 S C 1.613 176.201 174.600 -0.019 0.000 1.023 50 S CA 1.077 59.243 58.200 -0.057 0.000 1.114 50 S CB -1.947 61.199 63.200 -0.090 0.000 0.907 50 S HN 1.893 nan 8.310 nan 0.000 0.470 51 G N 0.928 109.777 108.800 0.081 0.000 2.687 51 G HA2 -0.379 3.581 3.960 0.001 0.000 0.303 51 G HA3 -0.379 3.581 3.960 0.001 0.000 0.303 51 G C -0.017 174.929 174.900 0.077 0.000 1.209 51 G CA 0.785 45.962 45.100 0.127 0.000 0.968 51 G HN 0.950 nan 8.290 nan 0.000 0.549 52 Q N 0.748 120.582 119.800 0.057 0.000 2.490 52 Q HA 0.613 4.954 4.340 0.001 0.000 0.397 52 Q C 0.913 176.923 176.000 0.016 0.000 0.937 52 Q CA 0.350 56.176 55.803 0.038 0.000 1.108 52 Q CB -0.429 28.338 28.738 0.049 0.000 1.336 52 Q HN 0.764 nan 8.270 nan 0.000 0.410 53 M N -1.107 118.495 119.600 0.005 0.000 2.537 53 M HA -0.262 4.218 4.480 0.001 0.000 0.205 53 M C -0.211 176.082 176.300 -0.012 0.000 0.450 53 M CA 0.969 56.261 55.300 -0.013 0.000 0.553 53 M CB -3.035 29.556 32.600 -0.015 0.000 2.046 53 M HN 0.340 nan 8.290 nan 0.000 0.797 54 S N -0.826 114.864 115.700 -0.016 0.000 2.741 54 S HA 0.383 4.854 4.470 0.001 0.000 0.245 54 S C 1.136 175.705 174.600 -0.051 0.000 1.083 54 S CA 0.349 58.538 58.200 -0.019 0.000 0.873 54 S CB 0.647 63.849 63.200 0.003 0.000 0.814 54 S HN 0.708 nan 8.310 nan 0.000 0.476 55 A N 3.150 125.916 122.820 -0.091 0.000 3.076 55 A HA 0.312 4.632 4.320 0.001 0.000 0.269 55 A C 1.601 179.105 177.584 -0.133 0.000 1.916 55 A CA -0.049 51.897 52.037 -0.152 0.000 1.492 55 A CB -1.148 17.647 19.000 -0.342 0.000 1.000 55 A HN 0.477 nan 8.150 nan 0.000 0.615 56 V N -0.531 119.327 119.914 -0.094 0.000 2.568 56 V HA -0.196 3.924 4.120 0.001 0.000 0.253 56 V C 1.486 177.533 176.094 -0.079 0.000 1.072 56 V CA 1.864 64.112 62.300 -0.087 0.000 1.084 56 V CB -0.840 30.935 31.823 -0.080 0.000 0.676 56 V HN 0.623 nan 8.190 nan 0.000 0.469 57 L N 1.254 122.430 121.223 -0.077 0.000 2.653 57 L HA 0.605 4.945 4.340 0.001 0.000 0.231 57 L C 1.178 178.079 176.870 0.051 0.000 1.153 57 L CA 0.319 55.139 54.840 -0.033 0.000 0.933 57 L CB -0.705 41.262 42.059 -0.153 0.000 1.175 57 L HN 0.675 nan 8.230 nan 0.000 0.473 58 G N -0.184 108.587 108.800 -0.047 0.000 2.796 58 G HA2 -0.201 3.759 3.960 0.001 0.000 0.571 58 G HA3 -0.201 3.759 3.960 0.001 0.000 0.571 58 G C -0.511 174.327 174.900 -0.102 0.000 1.370 58 G CA -0.842 44.217 45.100 -0.068 0.000 0.856 58 G HN 0.241 nan 8.290 nan 0.000 0.538 59 H N -0.922 118.209 119.070 0.101 0.000 2.562 59 H HA 0.294 4.850 4.556 0.000 0.000 0.352 59 H C 1.468 176.869 175.328 0.121 0.000 1.125 59 H CA 0.755 56.867 56.048 0.107 0.000 1.379 59 H CB 0.649 30.479 29.762 0.115 0.000 1.464 59 H HN 1.256 nan 8.280 nan 0.000 0.563 60 C N 2.918 122.358 119.300 0.234 0.000 3.744 60 C HA -0.193 4.268 4.460 0.001 0.000 0.290 60 C C 1.093 176.181 174.990 0.163 0.000 1.385 60 C CA 0.251 59.374 59.018 0.175 0.000 2.099 60 C CB -3.002 24.830 27.740 0.153 0.000 1.359 60 C HN 0.743 nan 8.230 nan 0.000 0.629 61 H N 2.075 121.185 119.070 0.068 0.000 2.848 61 H HA 0.120 4.676 4.556 0.001 0.000 0.317 61 H C -1.031 174.326 175.328 0.048 0.000 1.046 61 H CA -0.836 55.243 56.048 0.053 0.000 1.470 61 H CB 1.203 30.984 29.762 0.032 0.000 1.483 61 H HN 0.174 nan 8.280 nan 0.000 0.548 62 P HA -0.204 nan 4.420 nan 0.000 0.217 62 P C 1.156 178.560 177.300 0.172 0.000 1.151 62 P CA 1.350 64.478 63.100 0.047 0.000 0.849 62 P CB 0.391 32.057 31.700 -0.055 0.000 0.787 63 E N -0.869 119.564 120.200 0.388 0.000 2.072 63 E HA -0.115 4.236 4.350 0.001 0.000 0.191 63 E C 2.039 178.737 176.600 0.164 0.000 0.985 63 E CA 0.953 57.503 56.400 0.249 0.000 0.801 63 E CB -0.564 29.267 29.700 0.219 0.000 0.750 63 E HN 0.230 nan 8.360 nan 0.000 0.452 64 I N 1.057 121.734 120.570 0.179 0.000 2.252 64 I HA -0.182 3.988 4.170 0.001 0.000 0.245 64 I C 2.580 178.759 176.117 0.105 0.000 1.102 64 I CA 0.741 62.098 61.300 0.097 0.000 1.385 64 I CB -1.262 36.785 38.000 0.077 0.000 1.064 64 I HN -0.083 nan 8.210 nan 0.000 0.414 65 V N 0.322 120.309 119.914 0.122 0.000 2.287 65 V HA -0.291 3.830 4.120 0.001 0.000 0.248 65 V C 2.781 178.928 176.094 0.089 0.000 1.053 65 V CA 2.132 64.489 62.300 0.096 0.000 1.027 65 V CB -0.807 31.068 31.823 0.086 0.000 0.646 65 V HN 0.447 nan 8.190 nan 0.000 0.447 66 S N -0.693 115.063 115.700 0.094 0.000 2.353 66 S HA -0.204 4.266 4.470 0.001 0.000 0.222 66 S C 2.074 176.736 174.600 0.103 0.000 1.035 66 S CA 2.053 60.304 58.200 0.085 0.000 1.025 66 S CB -0.321 62.927 63.200 0.080 0.000 0.902 66 S HN 0.338 nan 8.310 nan 0.000 0.440 67 V N 1.682 121.670 119.914 0.123 0.000 2.407 67 V HA -0.071 4.049 4.120 0.001 0.000 0.248 67 V C 2.107 178.331 176.094 0.216 0.000 1.055 67 V CA 1.965 64.373 62.300 0.181 0.000 1.049 67 V CB -0.513 31.403 31.823 0.155 0.000 0.662 67 V HN 0.635 nan 8.190 nan 0.000 0.455 68 I N 0.463 121.116 120.570 0.139 0.000 2.335 68 I HA -0.157 4.013 4.170 0.001 0.000 0.251 68 I C 2.469 178.666 176.117 0.133 0.000 1.129 68 I CA 1.498 62.874 61.300 0.128 0.000 1.402 68 I CB -0.961 37.091 38.000 0.086 0.000 1.069 68 I HN 0.468 nan 8.210 nan 0.000 0.424 69 G N 0.973 109.838 108.800 0.107 0.000 2.434 69 G HA2 -0.216 3.745 3.960 0.001 0.000 0.214 69 G HA3 -0.216 3.745 3.960 0.001 0.000 0.214 69 G C 1.409 176.344 174.900 0.057 0.000 1.202 69 G CA 0.660 45.804 45.100 0.073 0.000 0.788 69 G HN 0.463 nan 8.290 nan 0.000 0.539 70 E N -0.127 120.101 120.200 0.048 0.000 2.049 70 E HA -0.245 4.105 4.350 0.001 0.000 0.198 70 E C 2.267 178.757 176.600 -0.184 0.000 1.007 70 E CA 1.508 57.858 56.400 -0.083 0.000 0.809 70 E CB -0.445 29.149 29.700 -0.176 0.000 0.749 70 E HN 0.601 nan 8.360 nan 0.000 0.450 71 Y N 0.832 121.150 120.300 0.030 0.000 2.263 71 Y HA -0.068 4.484 4.550 0.002 0.000 0.292 71 Y C 2.635 178.557 175.900 0.037 0.000 1.130 71 Y CA 0.826 58.946 58.100 0.034 0.000 1.179 71 Y CB -0.475 38.007 38.460 0.036 0.000 0.998 71 Y HN 0.073 nan 8.280 nan 0.000 0.532 72 A N 0.013 122.934 122.820 0.169 0.000 1.948 72 A HA -0.183 4.137 4.320 0.001 0.000 0.220 72 A C 2.423 180.050 177.584 0.073 0.000 1.177 72 A CA 1.972 54.077 52.037 0.112 0.000 0.636 72 A CB -1.351 17.700 19.000 0.085 0.000 0.815 72 A HN 0.470 nan 8.150 nan 0.000 0.449 73 G N -1.745 107.077 108.800 0.037 0.000 3.042 73 G HA2 0.130 4.091 3.960 0.001 0.000 0.212 73 G HA3 0.130 4.091 3.960 0.001 0.000 0.212 73 G C 1.316 176.213 174.900 -0.005 0.000 1.166 73 G CA 0.837 45.945 45.100 0.013 0.000 0.767 73 G HN 0.558 nan 8.290 nan 0.000 0.546 74 K N -0.891 119.495 120.400 -0.023 0.000 2.325 74 K HA 0.402 4.722 4.320 0.001 0.000 0.203 74 K C -0.149 176.466 176.600 0.025 0.000 1.128 74 K CA -0.067 56.193 56.287 -0.045 0.000 0.931 74 K CB 0.428 32.819 32.500 -0.182 0.000 1.125 74 K HN 0.121 nan 8.250 nan 0.000 0.487 75 L N 2.365 123.650 121.223 0.105 0.000 2.528 75 L HA 0.201 4.541 4.340 0.001 0.000 0.267 75 L C -1.001 175.996 176.870 0.211 0.000 0.961 75 L CA -0.473 54.469 54.840 0.170 0.000 0.866 75 L CB 1.830 44.045 42.059 0.260 0.000 1.248 75 L HN 0.346 nan 8.230 nan 0.000 0.404 76 D N 1.083 121.584 120.400 0.168 0.000 3.012 76 D HA 0.054 4.695 4.640 0.001 0.000 0.284 76 D C 0.243 176.677 176.300 0.224 0.000 1.259 76 D CA 0.578 54.689 54.000 0.185 0.000 1.036 76 D CB 0.288 41.188 40.800 0.167 0.000 1.167 76 D HN 0.485 nan 8.370 nan 0.000 0.429 77 H N -0.763 118.375 119.070 0.112 0.000 2.806 77 H HA 0.692 5.248 4.556 0.001 0.000 0.367 77 H C -1.517 173.878 175.328 0.112 0.000 1.136 77 H CA -0.807 55.316 56.048 0.125 0.000 1.178 77 H CB 1.411 31.261 29.762 0.147 0.000 1.718 77 H HN 0.068 nan 8.280 nan 0.000 0.540 78 L N 3.415 124.284 121.223 -0.590 0.000 2.376 78 L HA 0.344 4.685 4.340 0.001 0.000 0.258 78 L C -0.590 176.076 176.870 -0.340 0.000 1.013 78 L CA -1.340 53.294 54.840 -0.344 0.000 0.822 78 L CB 1.635 43.638 42.059 -0.092 0.000 1.388 78 L HN 0.542 nan 8.230 nan 0.000 0.413 79 F N 1.000 120.812 119.950 -0.229 0.000 2.607 79 F HA -0.046 4.481 4.527 0.000 0.000 0.374 79 F C 1.635 177.388 175.800 -0.077 0.000 1.104 79 F CA 0.348 58.274 58.000 -0.124 0.000 1.296 79 F CB 1.053 40.016 39.000 -0.063 0.000 1.085 79 F HN 0.651 nan 8.300 nan 0.000 0.584 80 S N 2.312 117.568 115.700 -0.739 0.000 2.423 80 S HA -0.249 4.221 4.470 0.001 0.000 0.238 80 S C 1.196 175.544 174.600 -0.419 0.000 1.028 80 S CA 1.744 59.654 58.200 -0.482 0.000 1.000 80 S CB -0.677 62.337 63.200 -0.310 0.000 0.797 80 S HN 0.850 nan 8.310 nan 0.000 0.487 81 E N 0.315 120.118 120.200 -0.663 0.000 2.489 81 E HA 0.231 4.581 4.350 0.001 0.000 0.193 81 E C -0.102 176.479 176.600 -0.032 0.000 1.057 81 E CA 0.048 56.314 56.400 -0.223 0.000 0.866 81 E CB -0.004 29.646 29.700 -0.082 0.000 0.916 81 E HN 0.624 nan 8.360 nan 0.000 0.500 82 M N 1.842 121.430 119.600 -0.020 0.000 2.129 82 M HA 0.306 4.787 4.480 0.001 0.000 0.348 82 M C -0.445 175.860 176.300 0.009 0.000 1.116 82 M CA -0.290 55.036 55.300 0.042 0.000 1.022 82 M CB 1.385 34.039 32.600 0.091 0.000 1.599 82 M HN -0.061 nan 8.290 nan 0.000 0.449 83 L N 1.973 123.206 121.223 0.017 0.000 2.387 83 L HA 0.676 5.017 4.340 0.001 0.000 0.266 83 L C 0.348 177.232 176.870 0.023 0.000 1.059 83 L CA -0.386 54.461 54.840 0.012 0.000 0.801 83 L CB 1.778 43.842 42.059 0.009 0.000 1.223 83 L HN 0.805 nan 8.230 nan 0.000 0.456 84 S N -0.421 115.293 115.700 0.024 0.000 2.651 84 S HA 0.473 4.943 4.470 0.001 0.000 0.279 84 S C 0.347 174.969 174.600 0.036 0.000 1.148 84 S CA -1.027 57.197 58.200 0.039 0.000 0.837 84 S CB 1.902 65.133 63.200 0.053 0.000 1.138 84 S HN 0.588 nan 8.310 nan 0.000 0.478 85 R N 0.338 120.869 120.500 0.052 0.000 2.096 85 R HA 0.033 4.374 4.340 0.001 0.000 0.235 85 R C -1.047 175.271 176.300 0.030 0.000 1.127 85 R CA 1.431 57.559 56.100 0.047 0.000 0.968 85 R CB -1.721 28.617 30.300 0.063 0.000 0.861 85 R HN 0.505 nan 8.270 nan 0.000 0.440 86 P HA -0.081 nan 4.420 nan 0.000 0.218 86 P C 1.507 178.783 177.300 -0.039 0.000 1.149 86 P CA 0.931 64.003 63.100 -0.046 0.000 0.817 86 P CB 0.002 31.596 31.700 -0.176 0.000 0.785 87 V N -0.335 119.567 119.914 -0.021 0.000 2.307 87 V HA -0.181 3.940 4.120 0.001 0.000 0.245 87 V C 2.552 178.640 176.094 -0.009 0.000 1.045 87 V CA 1.702 63.994 62.300 -0.014 0.000 1.024 87 V CB -1.154 30.666 31.823 -0.005 0.000 0.651 87 V HN -0.048 nan 8.190 nan 0.000 0.449 88 V N 0.255 120.167 119.914 -0.003 0.000 2.358 88 V HA -0.230 3.890 4.120 0.001 0.000 0.246 88 V C 2.265 178.359 176.094 -0.002 0.000 1.047 88 V CA 2.132 64.430 62.300 -0.002 0.000 1.035 88 V CB -0.702 31.123 31.823 0.003 0.000 0.658 88 V HN 0.557 nan 8.190 nan 0.000 0.452 89 D N -0.107 120.294 120.400 0.001 0.000 2.117 89 D HA -0.144 4.497 4.640 0.001 0.000 0.197 89 D C 1.925 178.224 176.300 -0.002 0.000 0.987 89 D CA 1.075 55.077 54.000 0.003 0.000 0.829 89 D CB -0.318 40.487 40.800 0.008 0.000 0.961 89 D HN 0.343 nan 8.370 nan 0.000 0.460 90 L N 0.892 122.109 121.223 -0.010 0.000 2.056 90 L HA -0.025 4.315 4.340 0.001 0.000 0.207 90 L C 2.098 178.967 176.870 -0.003 0.000 1.078 90 L CA 1.709 56.544 54.840 -0.008 0.000 0.749 90 L CB -0.880 41.167 42.059 -0.019 0.000 0.901 90 L HN -0.021 nan 8.230 nan 0.000 0.433 91 A N -1.385 121.430 122.820 -0.008 0.000 1.883 91 A HA -0.227 4.093 4.320 0.001 0.000 0.217 91 A C 2.264 179.842 177.584 -0.011 0.000 1.186 91 A CA 2.473 54.503 52.037 -0.012 0.000 0.624 91 A CB -1.313 17.676 19.000 -0.017 0.000 0.822 91 A HN 0.519 nan 8.150 nan 0.000 0.444 92 T N -0.686 113.863 114.554 -0.007 0.000 2.684 92 T HA -0.173 4.178 4.350 0.001 0.000 0.267 92 T C 2.103 176.805 174.700 0.003 0.000 1.036 92 T CA 1.803 63.900 62.100 -0.004 0.000 1.148 92 T CB -0.256 68.611 68.868 -0.001 0.000 0.863 92 T HN 0.501 nan 8.240 nan 0.000 0.436 93 R N 1.004 121.510 120.500 0.009 0.000 2.083 93 R HA 0.008 4.349 4.340 0.001 0.000 0.237 93 R C 2.287 178.606 176.300 0.033 0.000 1.137 93 R CA 1.414 57.526 56.100 0.020 0.000 0.951 93 R CB -0.964 29.349 30.300 0.021 0.000 0.851 93 R HN 0.397 nan 8.270 nan 0.000 0.434 94 L N -0.392 120.847 121.223 0.027 0.000 2.079 94 L HA -0.147 4.193 4.340 0.001 0.000 0.210 94 L C 2.485 179.352 176.870 -0.004 0.000 1.081 94 L CA 1.415 56.272 54.840 0.029 0.000 0.752 94 L CB -0.606 41.456 42.059 0.006 0.000 0.896 94 L HN 0.362 nan 8.230 nan 0.000 0.433 95 A N 0.081 122.891 122.820 -0.016 0.000 1.930 95 A HA -0.184 4.137 4.320 0.001 0.000 0.217 95 A C 1.998 179.576 177.584 -0.011 0.000 1.175 95 A CA 1.730 53.750 52.037 -0.029 0.000 0.627 95 A CB -0.462 18.521 19.000 -0.028 0.000 0.815 95 A HN 0.446 nan 8.150 nan 0.000 0.443 96 N N 0.218 118.923 118.700 0.008 0.000 2.331 96 N HA -0.054 4.686 4.740 0.001 0.000 0.180 96 N C 1.560 177.096 175.510 0.043 0.000 1.019 96 N CA 1.587 54.649 53.050 0.020 0.000 0.881 96 N CB -0.295 38.203 38.487 0.019 0.000 0.972 96 N HN 0.814 nan 8.380 nan 0.000 0.435 97 I N -1.604 119.012 120.570 0.076 0.000 3.968 97 I HA 0.163 4.333 4.170 0.001 0.000 0.328 97 I C 0.210 176.449 176.117 0.204 0.000 1.290 97 I CA -0.071 61.313 61.300 0.140 0.000 1.163 97 I CB -0.178 37.926 38.000 0.173 0.000 1.024 97 I HN -0.183 nan 8.210 nan 0.000 0.413 98 T N -0.040 114.555 114.554 0.069 0.000 2.881 98 T HA 0.508 4.858 4.350 0.001 0.000 0.278 98 T C -2.466 172.215 174.700 -0.031 0.000 0.982 98 T CA -1.670 60.383 62.100 -0.078 0.000 0.989 98 T CB 0.781 69.467 68.868 -0.303 0.000 1.058 98 T HN -0.081 nan 8.240 nan 0.000 0.529 99 P HA 0.248 nan 4.420 nan 0.000 0.271 99 P C -2.514 174.764 177.300 -0.036 0.000 1.233 99 P CA -1.272 61.817 63.100 -0.019 0.000 0.789 99 P CB -0.956 30.733 31.700 -0.018 0.000 0.951 100 P HA 0.054 nan 4.420 nan 0.000 0.267 100 P C 0.994 178.273 177.300 -0.036 0.000 1.200 100 P CA 1.128 64.213 63.100 -0.025 0.000 0.772 100 P CB 0.025 31.716 31.700 -0.016 0.000 0.855 101 G N 1.432 110.208 108.800 -0.040 0.000 2.213 101 G HA2 -0.206 3.755 3.960 0.001 0.000 0.236 101 G HA3 -0.206 3.755 3.960 0.001 0.000 0.236 101 G C -0.221 174.642 174.900 -0.062 0.000 0.991 101 G CA -0.354 44.718 45.100 -0.047 0.000 0.629 101 G HN 0.477 nan 8.290 nan 0.000 0.517 102 L N 1.613 122.793 121.223 -0.072 0.000 2.301 102 L HA 0.494 4.834 4.340 0.001 0.000 0.278 102 L C 0.049 176.871 176.870 -0.080 0.000 1.022 102 L CA -0.696 54.087 54.840 -0.094 0.000 0.854 102 L CB 1.226 43.204 42.059 -0.136 0.000 1.226 102 L HN 0.058 nan 8.230 nan 0.000 0.429 103 D N 1.419 121.775 120.400 -0.073 0.000 2.482 103 D HA 0.125 4.765 4.640 0.001 0.000 0.251 103 D C 0.531 176.795 176.300 -0.060 0.000 1.073 103 D CA 0.216 54.181 54.000 -0.059 0.000 0.892 103 D CB 1.041 41.810 40.800 -0.053 0.000 1.202 103 D HN 0.276 nan 8.370 nan 0.000 0.496 104 R N 0.518 120.975 120.500 -0.072 0.000 2.562 104 R HA 0.689 5.029 4.340 0.001 0.000 0.298 104 R C -0.928 175.326 176.300 -0.077 0.000 0.961 104 R CA -0.269 55.789 56.100 -0.071 0.000 0.881 104 R CB 2.302 32.555 30.300 -0.078 0.000 1.159 104 R HN -0.033 nan 8.270 nan 0.000 0.450 105 A N 2.605 125.388 122.820 -0.062 0.000 2.356 105 A HA 0.733 5.054 4.320 0.001 0.000 0.323 105 A C -1.681 175.876 177.584 -0.044 0.000 1.119 105 A CA -0.614 51.389 52.037 -0.058 0.000 0.790 105 A CB 1.341 20.315 19.000 -0.043 0.000 1.273 105 A HN 0.520 nan 8.150 nan 0.000 0.452 106 L N 1.819 123.017 121.223 -0.041 0.000 2.349 106 L HA 0.604 4.944 4.340 0.001 0.000 0.278 106 L C -1.329 175.538 176.870 -0.004 0.000 0.996 106 L CA -0.222 54.607 54.840 -0.017 0.000 0.825 106 L CB 1.223 43.267 42.059 -0.025 0.000 1.243 106 L HN 0.607 nan 8.230 nan 0.000 0.412 107 L N 6.553 127.787 121.223 0.018 0.000 2.272 107 L HA 0.515 4.855 4.340 0.001 0.000 0.289 107 L C -0.315 176.592 176.870 0.063 0.000 1.032 107 L CA -0.256 54.601 54.840 0.029 0.000 0.810 107 L CB 1.142 43.214 42.059 0.022 0.000 1.205 107 L HN 0.662 nan 8.230 nan 0.000 0.422 108 L N 1.063 122.327 121.223 0.068 0.000 2.426 108 L HA 0.538 4.878 4.340 0.001 0.000 0.260 108 L C 0.823 177.753 176.870 0.099 0.000 1.233 108 L CA -0.379 54.527 54.840 0.110 0.000 1.267 108 L CB 1.441 43.569 42.059 0.116 0.000 1.814 108 L HN 0.456 nan 8.230 nan 0.000 0.561 109 S N -1.883 113.884 115.700 0.112 0.000 2.665 109 S HA 0.126 4.596 4.470 0.001 0.000 0.240 109 S C 0.215 174.855 174.600 0.067 0.000 1.081 109 S CA 0.328 58.576 58.200 0.080 0.000 0.887 109 S CB 0.761 64.015 63.200 0.090 0.000 0.805 109 S HN 0.805 nan 8.310 nan 0.000 0.486 110 T N -1.587 113.016 114.554 0.082 0.000 2.901 110 T HA 0.646 4.996 4.350 0.001 0.000 0.293 110 T C 1.241 175.983 174.700 0.071 0.000 1.084 110 T CA -0.088 62.057 62.100 0.074 0.000 1.008 110 T CB 1.388 70.302 68.868 0.077 0.000 1.170 110 T HN 0.016 nan 8.240 nan 0.000 0.509 111 G N 0.484 109.329 108.800 0.076 0.000 2.446 111 G HA2 -0.021 3.939 3.960 0.001 0.000 0.217 111 G HA3 -0.021 3.939 3.960 0.001 0.000 0.217 111 G C 1.713 176.644 174.900 0.052 0.000 1.168 111 G CA 1.002 46.147 45.100 0.075 0.000 0.771 111 G HN 1.202 nan 8.290 nan 0.000 0.551 112 A N 0.652 123.499 122.820 0.046 0.000 1.908 112 A HA -0.064 4.256 4.320 0.001 0.000 0.218 112 A C 2.166 179.777 177.584 0.045 0.000 1.181 112 A CA 2.044 54.092 52.037 0.019 0.000 0.627 112 A CB -0.454 18.546 19.000 0.000 0.000 0.818 112 A HN 0.470 nan 8.150 nan 0.000 0.445 113 E N -0.019 120.231 120.200 0.085 0.000 2.077 113 E HA -0.172 4.178 4.350 0.001 0.000 0.193 113 E C 2.450 179.053 176.600 0.005 0.000 0.989 113 E CA 1.491 57.978 56.400 0.146 0.000 0.800 113 E CB -0.160 29.657 29.700 0.194 0.000 0.746 113 E HN 0.824 nan 8.360 nan 0.000 0.452 114 S N 1.200 116.892 115.700 -0.014 0.000 2.356 114 S HA -0.174 4.297 4.470 0.001 0.000 0.223 114 S C 1.739 176.276 174.600 -0.106 0.000 1.032 114 S CA 1.231 59.385 58.200 -0.078 0.000 1.005 114 S CB -0.328 62.857 63.200 -0.025 0.000 0.867 114 S HN 0.156 nan 8.310 nan 0.000 0.449 115 N N 1.697 120.362 118.700 -0.058 0.000 2.188 115 N HA -0.021 4.720 4.740 0.001 0.000 0.184 115 N C 1.830 177.287 175.510 -0.088 0.000 1.018 115 N CA 1.339 54.344 53.050 -0.076 0.000 0.858 115 N CB -0.459 37.992 38.487 -0.060 0.000 0.989 115 N HN 0.581 nan 8.380 nan 0.000 0.426 116 E N 1.026 121.193 120.200 -0.055 0.000 2.051 116 E HA -0.080 4.270 4.350 0.001 0.000 0.192 116 E C 1.915 178.455 176.600 -0.099 0.000 0.991 116 E CA 0.905 57.306 56.400 0.002 0.000 0.799 116 E CB -0.168 29.630 29.700 0.163 0.000 0.748 116 E HN 0.310 nan 8.360 nan 0.000 0.449 117 A N 1.634 124.177 122.820 -0.462 0.000 1.908 117 A HA -0.156 4.165 4.320 0.001 0.000 0.218 117 A C 2.416 179.861 177.584 -0.231 0.000 1.181 117 A CA 2.162 53.724 52.037 -0.791 0.000 0.627 117 A CB -0.573 17.779 19.000 -1.081 0.000 0.818 117 A HN 0.288 nan 8.150 nan 0.000 0.445 118 A N -0.274 122.430 122.820 -0.192 0.000 1.873 118 A HA -0.027 4.293 4.320 0.001 0.000 0.215 118 A C 2.136 179.677 177.584 -0.071 0.000 1.186 118 A CA 1.423 53.384 52.037 -0.127 0.000 0.616 118 A CB -0.584 18.345 19.000 -0.119 0.000 0.823 118 A HN 0.476 nan 8.150 nan 0.000 0.442 119 I N -0.642 119.893 120.570 -0.057 0.000 2.226 119 I HA -0.278 3.893 4.170 0.001 0.000 0.245 119 I C 2.725 178.862 176.117 0.033 0.000 1.100 119 I CA 1.790 63.075 61.300 -0.024 0.000 1.374 119 I CB -0.260 37.721 38.000 -0.032 0.000 1.057 119 I HN 0.438 nan 8.210 nan 0.000 0.413 120 R N 1.132 121.680 120.500 0.079 0.000 2.081 120 R HA -0.210 4.131 4.340 0.001 0.000 0.235 120 R C 2.370 178.802 176.300 0.220 0.000 1.131 120 R CA 1.603 57.803 56.100 0.166 0.000 0.960 120 R CB -0.274 30.162 30.300 0.226 0.000 0.856 120 R HN 0.283 nan 8.270 nan 0.000 0.436 121 M N 0.187 119.898 119.600 0.186 0.000 2.175 121 M HA -0.084 4.397 4.480 0.001 0.000 0.264 121 M C 2.128 178.416 176.300 -0.020 0.000 1.063 121 M CA 1.908 57.204 55.300 -0.008 0.000 1.119 121 M CB -0.077 32.321 32.600 -0.336 0.000 1.377 121 M HN 0.353 nan 8.290 nan 0.000 0.415 122 A N 0.630 123.441 122.820 -0.014 0.000 1.902 122 A HA -0.193 4.127 4.320 0.001 0.000 0.217 122 A C 2.045 179.641 177.584 0.020 0.000 1.181 122 A CA 1.924 53.955 52.037 -0.011 0.000 0.623 122 A CB -0.556 18.435 19.000 -0.015 0.000 0.818 122 A HN 0.559 nan 8.150 nan 0.000 0.443 123 K N -0.962 119.468 120.400 0.049 0.000 2.026 123 K HA -0.102 4.219 4.320 0.001 0.000 0.208 123 K C 1.946 178.590 176.600 0.073 0.000 1.048 123 K CA 1.351 57.680 56.287 0.071 0.000 0.929 123 K CB -0.378 32.180 32.500 0.096 0.000 0.713 123 K HN 0.369 nan 8.250 nan 0.000 0.439 124 L N 1.022 122.298 121.223 0.088 0.000 1.994 124 L HA -0.169 4.172 4.340 0.001 0.000 0.208 124 L C 2.075 178.976 176.870 0.052 0.000 1.071 124 L CA 1.544 56.437 54.840 0.089 0.000 0.745 124 L CB -0.442 41.708 42.059 0.152 0.000 0.892 124 L HN -0.086 nan 8.230 nan 0.000 0.431 125 V N -0.414 119.517 119.914 0.028 0.000 2.490 125 V HA -0.272 3.848 4.120 0.001 0.000 0.250 125 V C 2.456 178.554 176.094 0.006 0.000 1.061 125 V CA 2.110 64.412 62.300 0.004 0.000 1.064 125 V CB -1.114 30.693 31.823 -0.027 0.000 0.670 125 V HN 0.791 nan 8.190 nan 0.000 0.461 126 T N -3.633 110.929 114.554 0.012 0.000 3.037 126 T HA 0.295 4.646 4.350 0.001 0.000 0.251 126 T C 1.618 176.330 174.700 0.020 0.000 1.079 126 T CA 0.856 62.961 62.100 0.009 0.000 1.067 126 T CB 0.658 69.528 68.868 0.005 0.000 0.948 126 T HN 0.893 nan 8.240 nan 0.000 0.496 127 G N 1.244 110.066 108.800 0.037 0.000 2.162 127 G HA2 -0.261 3.700 3.960 0.001 0.000 0.260 127 G HA3 -0.261 3.700 3.960 0.001 0.000 0.260 127 G C -0.020 174.921 174.900 0.069 0.000 0.976 127 G CA 0.603 45.733 45.100 0.050 0.000 0.655 127 G HN 0.693 nan 8.290 nan 0.000 0.533 128 K N -1.693 118.740 120.400 0.054 0.000 2.316 128 K HA 0.739 5.059 4.320 0.001 0.000 0.234 128 K C 0.489 177.138 176.600 0.082 0.000 1.054 128 K CA -0.491 55.813 56.287 0.028 0.000 0.879 128 K CB 0.852 33.315 32.500 -0.062 0.000 1.252 128 K HN 0.388 nan 8.250 nan 0.000 0.471 129 Y N -2.147 118.174 120.300 0.035 0.000 2.666 129 Y HA 0.419 4.970 4.550 0.001 0.000 0.260 129 Y C -0.600 175.315 175.900 0.025 0.000 1.089 129 Y CA -0.714 57.401 58.100 0.024 0.000 1.246 129 Y CB 0.168 38.635 38.460 0.012 0.000 1.353 129 Y HN 0.348 nan 8.280 nan 0.000 0.558 130 E N 2.670 122.661 120.200 -0.348 0.000 2.316 130 E HA 0.318 4.668 4.350 0.001 0.000 0.275 130 E C -0.650 175.964 176.600 0.022 0.000 1.029 130 E CA -0.304 56.044 56.400 -0.086 0.000 0.871 130 E CB 1.318 31.033 29.700 0.025 0.000 1.022 130 E HN 0.153 nan 8.360 nan 0.000 0.418 131 I N 3.256 123.846 120.570 0.033 0.000 2.433 131 I HA 0.286 4.457 4.170 0.001 0.000 0.292 131 I C -0.302 175.796 176.117 -0.032 0.000 1.001 131 I CA -0.834 60.458 61.300 -0.014 0.000 1.119 131 I CB 1.435 39.409 38.000 -0.043 0.000 1.289 131 I HN 0.250 nan 8.210 nan 0.000 0.438 132 V N 4.925 124.736 119.914 -0.172 0.000 2.555 132 V HA 0.919 5.040 4.120 0.001 0.000 0.302 132 V C 0.458 175.994 176.094 -0.929 0.000 1.038 132 V CA -0.370 61.701 62.300 -0.381 0.000 0.887 132 V CB 1.685 33.303 31.823 -0.342 0.000 0.991 132 V HN 0.981 nan 8.190 nan 0.000 0.434 133 G N 1.950 110.298 108.800 -0.753 0.000 2.921 133 G HA2 0.725 4.685 3.960 0.001 0.000 0.291 133 G HA3 0.725 4.685 3.960 0.001 0.000 0.291 133 G C -1.680 172.915 174.900 -0.510 0.000 1.370 133 G CA -0.645 44.010 45.100 -0.741 0.000 0.847 133 G HN 0.291 nan 8.290 nan 0.000 0.532 134 F N 0.436 120.375 119.950 -0.018 0.000 2.385 134 F HA 0.528 5.056 4.527 0.001 0.000 0.336 134 F C 1.558 177.314 175.800 -0.075 0.000 1.100 134 F CA -0.157 57.863 58.000 0.034 0.000 1.116 134 F CB 1.978 41.070 39.000 0.153 0.000 1.166 134 F HN 0.514 nan 8.300 nan 0.000 0.511 135 A N 1.825 124.699 122.820 0.089 0.000 2.178 135 A HA -0.128 4.192 4.320 0.001 0.000 0.218 135 A C 1.442 179.135 177.584 0.182 0.000 1.157 135 A CA 1.286 53.316 52.037 -0.012 0.000 0.689 135 A CB -0.518 18.481 19.000 -0.003 0.000 0.787 135 A HN 0.824 nan 8.150 nan 0.000 0.465 136 Q N -0.171 119.743 119.800 0.191 0.000 2.179 136 Q HA 0.152 4.492 4.340 0.001 0.000 0.213 136 Q C 0.594 176.694 176.000 0.167 0.000 0.833 136 Q CA 0.350 56.233 55.803 0.135 0.000 0.990 136 Q CB 0.731 29.466 28.738 -0.005 0.000 1.132 136 Q HN 0.647 nan 8.270 nan 0.000 0.493 137 S N -0.350 115.509 115.700 0.266 0.000 2.589 137 S HA 0.196 4.667 4.470 0.001 0.000 0.265 137 S C -0.552 174.095 174.600 0.077 0.000 1.342 137 S CA -0.553 57.742 58.200 0.158 0.000 1.005 137 S CB 0.764 64.115 63.200 0.251 0.000 0.909 137 S HN 0.468 nan 8.310 nan 0.000 0.555 138 W N 2.538 123.596 121.300 -0.404 0.000 2.664 138 W HA 0.330 4.990 4.660 0.001 0.000 0.314 138 W C -1.109 175.127 176.519 -0.471 0.000 1.010 138 W CA -0.449 56.710 57.345 -0.310 0.000 1.306 138 W CB 0.807 30.180 29.460 -0.145 0.000 1.254 138 W HN 0.959 nan 8.180 nan 0.000 0.404 139 H N 3.229 121.992 119.070 -0.513 0.000 2.923 139 H HA 0.334 4.891 4.556 0.001 0.000 0.268 139 H C 1.076 176.088 175.328 -0.527 0.000 1.148 139 H CA 0.707 56.539 56.048 -0.361 0.000 1.146 139 H CB 1.433 31.096 29.762 -0.166 0.000 1.607 139 H HN 0.543 nan 8.280 nan 0.000 0.566 140 G N 0.678 108.851 108.800 -1.046 0.000 2.381 140 G HA2 -0.142 3.819 3.960 0.001 0.000 0.672 140 G HA3 -0.142 3.819 3.960 0.001 0.000 0.672 140 G C 0.269 174.792 174.900 -0.628 0.000 1.324 140 G CA -0.380 44.338 45.100 -0.637 0.000 0.975 140 G HN 0.019 nan 8.290 nan 0.000 0.593 141 M N 0.451 119.879 119.600 -0.286 0.000 2.414 141 M HA 0.152 4.633 4.480 0.001 0.000 0.251 141 M C 1.568 177.803 176.300 -0.108 0.000 1.116 141 M CA 1.203 56.394 55.300 -0.182 0.000 1.056 141 M CB 0.179 32.764 32.600 -0.024 0.000 1.388 141 M HN 0.913 nan 8.290 nan 0.000 0.487 142 T N -0.689 113.816 114.554 -0.082 0.000 2.728 142 T HA 0.548 4.898 4.350 0.001 0.000 0.296 142 T C 1.130 175.802 174.700 -0.047 0.000 0.940 142 T CA 0.202 62.277 62.100 -0.041 0.000 1.013 142 T CB 1.364 70.232 68.868 -0.001 0.000 0.912 142 T HN 0.551 nan 8.240 nan 0.000 0.484 143 G N 4.001 112.774 108.800 -0.046 0.000 2.702 143 G HA2 -0.332 3.628 3.960 0.001 0.000 0.342 143 G HA3 -0.332 3.628 3.960 0.001 0.000 0.342 143 G C 1.435 176.297 174.900 -0.064 0.000 1.258 143 G CA 1.329 46.402 45.100 -0.045 0.000 0.990 143 G HN 1.756 nan 8.290 nan 0.000 0.548 144 A N -0.194 122.601 122.820 -0.041 0.000 1.915 144 A HA 0.052 4.372 4.320 0.001 0.000 0.220 144 A C 3.102 180.640 177.584 -0.077 0.000 1.198 144 A CA 4.037 56.045 52.037 -0.048 0.000 0.647 144 A CB -1.261 17.728 19.000 -0.018 0.000 0.825 144 A HN 2.241 nan 8.150 nan 0.000 0.456 145 A N -0.544 122.232 122.820 -0.074 0.000 1.917 145 A HA 0.087 4.408 4.320 0.001 0.000 0.219 145 A C 2.497 179.990 177.584 -0.150 0.000 1.182 145 A CA 2.432 54.412 52.037 -0.095 0.000 0.633 145 A CB -0.990 17.958 19.000 -0.086 0.000 0.819 145 A HN 1.236 nan 8.150 nan 0.000 0.448 146 A N -1.059 121.657 122.820 -0.173 0.000 1.968 146 A HA 0.029 4.349 4.320 0.001 0.000 0.217 146 A C 2.365 179.807 177.584 -0.236 0.000 1.169 146 A CA 1.733 53.633 52.037 -0.227 0.000 0.638 146 A CB -0.656 18.234 19.000 -0.183 0.000 0.812 146 A HN 0.430 nan 8.150 nan 0.000 0.446 147 S N -0.250 115.342 115.700 -0.181 0.000 2.423 147 S HA 0.032 4.502 4.470 0.001 0.000 0.231 147 S C 1.998 176.453 174.600 -0.241 0.000 1.014 147 S CA 0.973 59.055 58.200 -0.196 0.000 0.965 147 S CB -0.208 62.921 63.200 -0.119 0.000 0.785 147 S HN 0.755 nan 8.310 nan 0.000 0.495 148 A N 0.727 123.457 122.820 -0.150 0.000 2.178 148 A HA 0.184 4.504 4.320 0.001 0.000 0.211 148 A C 0.937 178.572 177.584 0.086 0.000 1.157 148 A CA 0.310 52.351 52.037 0.007 0.000 0.780 148 A CB -0.081 18.897 19.000 -0.036 0.000 0.828 148 A HN 0.332 nan 8.150 nan 0.000 0.476 149 T N -0.152 114.270 114.554 -0.220 0.000 2.728 149 T HA 0.416 4.766 4.350 0.001 0.000 0.296 149 T C -0.169 174.272 174.700 -0.431 0.000 0.940 149 T CA 0.178 62.145 62.100 -0.223 0.000 1.013 149 T CB 0.253 68.895 68.868 -0.377 0.000 0.912 149 T HN 0.343 nan 8.240 nan 0.000 0.484 150 Y N 0.632 120.967 120.300 0.058 0.000 2.500 150 Y HA 0.130 4.680 4.550 0.001 0.000 0.246 150 Y C 2.470 178.430 175.900 0.101 0.000 1.146 150 Y CA -0.388 57.757 58.100 0.075 0.000 1.230 150 Y CB 0.247 38.756 38.460 0.082 0.000 1.214 150 Y HN 0.699 nan 8.280 nan 0.000 0.526 151 S N 0.189 116.040 115.700 0.252 0.000 2.387 151 S HA 0.360 4.830 4.470 0.001 0.000 0.226 151 S C 0.929 175.639 174.600 0.183 0.000 1.026 151 S CA 0.575 58.904 58.200 0.215 0.000 0.972 151 S CB -0.004 63.325 63.200 0.214 0.000 0.814 151 S HN 0.204 nan 8.310 nan 0.000 0.477 152 A N -1.528 121.428 122.820 0.227 0.000 2.586 152 A HA 0.649 4.969 4.320 0.001 0.000 0.290 152 A C 0.616 178.298 177.584 0.163 0.000 1.086 152 A CA -0.211 51.935 52.037 0.181 0.000 0.665 152 A CB 0.040 19.146 19.000 0.177 0.000 1.279 152 A HN 1.565 nan 8.150 nan 0.000 0.423 153 G N -0.398 108.467 108.800 0.109 0.000 2.147 153 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 153 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 153 G C 0.673 175.574 174.900 0.001 0.000 1.005 153 G CA 0.873 46.012 45.100 0.065 0.000 0.713 153 G HN 0.848 nan 8.290 nan 0.000 0.515 154 R N -0.718 119.780 120.500 -0.005 0.000 2.156 154 R HA 0.116 4.456 4.340 0.001 0.000 0.207 154 R C 1.051 177.344 176.300 -0.011 0.000 1.040 154 R CA 0.606 56.685 56.100 -0.035 0.000 1.013 154 R CB 0.023 30.299 30.300 -0.041 0.000 0.931 154 R HN 0.255 nan 8.270 nan 0.000 0.465 155 K N -0.381 120.025 120.400 0.010 0.000 2.219 155 K HA 0.192 4.512 4.320 0.001 0.000 0.258 155 K C 0.864 177.469 176.600 0.009 0.000 1.008 155 K CA 0.843 57.138 56.287 0.013 0.000 0.928 155 K CB 0.517 33.029 32.500 0.020 0.000 0.983 155 K HN 0.231 nan 8.250 nan 0.000 0.484 156 G N -0.060 108.745 108.800 0.008 0.000 2.284 156 G HA2 -0.302 3.658 3.960 0.001 0.000 0.268 156 G HA3 -0.302 3.658 3.960 0.001 0.000 0.268 156 G C 0.487 175.388 174.900 0.003 0.000 0.980 156 G CA 0.920 46.024 45.100 0.006 0.000 0.631 156 G HN 0.733 nan 8.290 nan 0.000 0.548 157 V N -2.174 117.738 119.914 -0.002 0.000 3.099 157 V HA 0.680 4.801 4.120 0.001 0.000 0.356 157 V C 1.199 177.285 176.094 -0.014 0.000 1.364 157 V CA 0.361 62.657 62.300 -0.007 0.000 1.229 157 V CB -0.417 31.402 31.823 -0.007 0.000 1.227 157 V HN 2.261 nan 8.190 nan 0.000 0.493 158 G N 1.382 110.174 108.800 -0.012 0.000 2.796 158 G HA2 -0.110 3.851 3.960 0.001 0.000 0.571 158 G HA3 -0.110 3.851 3.960 0.001 0.000 0.571 158 G C -2.152 172.735 174.900 -0.023 0.000 1.370 158 G CA -0.434 44.657 45.100 -0.015 0.000 0.856 158 G HN 0.651 nan 8.290 nan 0.000 0.538 159 P HA 0.515 nan 4.420 nan 0.000 0.267 159 P C 0.506 177.779 177.300 -0.045 0.000 1.200 159 P CA 0.598 63.680 63.100 -0.031 0.000 0.772 159 P CB 0.554 32.236 31.700 -0.030 0.000 0.855 160 A N 2.208 124.995 122.820 -0.055 0.000 2.301 160 A HA 0.652 4.973 4.320 0.001 0.000 0.287 160 A C 0.209 177.748 177.584 -0.075 0.000 1.274 160 A CA -0.190 51.801 52.037 -0.077 0.000 0.865 160 A CB -0.321 18.614 19.000 -0.107 0.000 1.324 160 A HN 0.635 nan 8.150 nan 0.000 0.508 161 A N -0.554 122.217 122.820 -0.083 0.000 2.498 161 A HA 0.461 4.781 4.320 0.001 0.000 0.239 161 A C 0.310 177.845 177.584 -0.080 0.000 1.068 161 A CA -0.233 51.761 52.037 -0.073 0.000 0.766 161 A CB -0.535 18.428 19.000 -0.061 0.000 1.003 161 A HN 1.077 nan 8.150 nan 0.000 0.497 162 V N 2.176 122.045 119.914 -0.075 0.000 2.694 162 V HA 0.362 4.483 4.120 0.001 0.000 0.306 162 V C 1.610 177.690 176.094 -0.024 0.000 1.054 162 V CA 1.642 63.898 62.300 -0.073 0.000 1.161 162 V CB 0.137 31.895 31.823 -0.110 0.000 0.916 162 V HN 2.025 nan 8.190 nan 0.000 0.490 163 G N 3.648 112.396 108.800 -0.086 0.000 2.137 163 G HA2 -0.218 3.742 3.960 0.001 0.000 0.237 163 G HA3 -0.218 3.742 3.960 0.001 0.000 0.237 163 G C 0.148 174.781 174.900 -0.446 0.000 1.002 163 G CA 0.096 45.107 45.100 -0.148 0.000 0.702 163 G HN 0.822 nan 8.290 nan 0.000 0.515 164 S N -0.375 115.034 115.700 -0.485 0.000 2.541 164 S HA 0.869 5.339 4.470 0.001 0.000 0.283 164 S C -0.519 173.756 174.600 -0.542 0.000 1.196 164 S CA -0.317 57.686 58.200 -0.327 0.000 1.062 164 S CB 1.419 64.570 63.200 -0.082 0.000 1.009 164 S HN 0.356 nan 8.310 nan 0.000 0.502 165 F N 0.303 120.249 119.950 -0.007 0.000 2.626 165 F HA 0.766 5.294 4.527 0.001 0.000 0.311 165 F C 0.103 175.755 175.800 -0.248 0.000 1.088 165 F CA -0.884 57.059 58.000 -0.095 0.000 0.949 165 F CB 1.717 40.633 39.000 -0.140 0.000 1.322 165 F HN 0.685 nan 8.300 nan 0.000 0.461 166 A N 1.819 124.541 122.820 -0.164 0.000 2.498 166 A HA 0.939 5.259 4.320 0.001 0.000 0.298 166 A C -1.216 176.242 177.584 -0.211 0.000 1.075 166 A CA -0.706 51.060 52.037 -0.451 0.000 0.714 166 A CB 1.594 19.977 19.000 -1.029 0.000 1.299 166 A HN 0.823 nan 8.150 nan 0.000 0.407 167 I N -1.402 119.103 120.570 -0.107 0.000 2.892 167 I HA 0.786 4.956 4.170 0.001 0.000 0.306 167 I C -2.910 173.330 176.117 0.205 0.000 1.078 167 I CA -3.039 58.289 61.300 0.047 0.000 1.032 167 I CB 2.400 40.448 38.000 0.079 0.000 1.229 167 I HN 0.256 nan 8.210 nan 0.000 0.435 168 P HA 0.274 nan 4.420 nan 0.000 0.275 168 P C -0.748 176.730 177.300 0.297 0.000 1.228 168 P CA -0.168 63.067 63.100 0.226 0.000 0.786 168 P CB 1.000 32.818 31.700 0.195 0.000 0.927 169 A N 4.512 127.403 122.820 0.119 0.000 2.302 169 A HA 0.572 4.892 4.320 0.001 0.000 0.285 169 A C -2.195 175.327 177.584 -0.104 0.000 1.105 169 A CA -1.609 50.279 52.037 -0.248 0.000 0.816 169 A CB -0.715 17.882 19.000 -0.672 0.000 1.067 169 A HN 0.401 nan 8.150 nan 0.000 0.489 170 P HA 0.209 nan 4.420 nan 0.000 0.276 170 P C -1.230 176.136 177.300 0.110 0.000 1.264 170 P CA 0.296 63.389 63.100 -0.013 0.000 0.769 170 P CB 0.135 31.577 31.700 -0.430 0.000 0.840 171 F N 4.283 124.277 119.950 0.074 0.000 2.513 171 F HA 0.205 4.733 4.527 0.001 0.000 0.358 171 F C 1.394 177.161 175.800 -0.055 0.000 1.118 171 F CA -1.130 56.855 58.000 -0.025 0.000 1.037 171 F CB 0.787 39.755 39.000 -0.053 0.000 1.276 171 F HN 0.247 nan 8.300 nan 0.000 0.446 172 T N 2.318 117.008 114.554 0.228 0.000 2.833 172 T HA -0.244 4.106 4.350 0.001 0.000 0.269 172 T C 1.739 176.330 174.700 -0.180 0.000 1.054 172 T CA 1.545 63.694 62.100 0.081 0.000 1.135 172 T CB -0.774 68.225 68.868 0.219 0.000 0.869 172 T HN 0.580 nan 8.240 nan 0.000 0.466 173 Y N 2.752 122.744 120.300 -0.513 0.000 2.242 173 Y HA 0.175 4.725 4.550 0.001 0.000 0.291 173 Y C 1.341 176.815 175.900 -0.709 0.000 1.137 173 Y CA 0.643 58.383 58.100 -0.600 0.000 1.181 173 Y CB 0.034 38.214 38.460 -0.467 0.000 0.989 173 Y HN 0.168 nan 8.280 nan 0.000 0.527 174 R N 0.995 120.806 120.500 -1.147 0.000 2.681 174 R HA 0.253 4.594 4.340 0.001 0.000 0.277 174 R C -2.718 173.212 176.300 -0.617 0.000 1.563 174 R CA -1.914 53.694 56.100 -0.821 0.000 1.673 174 R CB 0.491 30.374 30.300 -0.694 0.000 1.258 174 R HN 0.088 nan 8.270 nan 0.000 0.650 175 P HA 0.036 nan 4.420 nan 0.000 0.269 175 P C -0.155 176.904 177.300 -0.401 0.000 1.209 175 P CA -0.055 62.510 63.100 -0.891 0.000 0.776 175 P CB 0.962 32.125 31.700 -0.896 0.000 0.876 176 R N 0.321 120.708 120.500 -0.188 0.000 2.519 176 R HA 0.273 4.614 4.340 0.001 0.000 0.375 176 R C -0.647 175.764 176.300 0.186 0.000 0.926 176 R CA -0.141 55.969 56.100 0.017 0.000 1.166 176 R CB 0.429 30.762 30.300 0.054 0.000 1.626 176 R HN 0.366 nan 8.270 nan 0.000 0.529 177 F N 2.268 122.330 119.950 0.187 0.000 2.553 177 F HA 0.304 4.832 4.527 0.001 0.000 0.335 177 F C -0.470 175.449 175.800 0.198 0.000 1.148 177 F CA -0.773 57.327 58.000 0.166 0.000 0.963 177 F CB 1.265 40.374 39.000 0.182 0.000 1.217 177 F HN -0.132 nan 8.300 nan 0.000 0.441 178 E N 6.377 126.487 120.200 -0.151 0.000 2.207 178 E HA 0.545 4.895 4.350 0.001 0.000 0.270 178 E C -1.286 175.220 176.600 -0.157 0.000 0.927 178 E CA -0.907 55.463 56.400 -0.051 0.000 0.799 178 E CB 1.680 31.349 29.700 -0.053 0.000 1.172 178 E HN 0.670 nan 8.360 nan 0.000 0.404 179 R N 3.170 123.655 120.500 -0.026 0.000 2.518 179 R HA 0.193 4.533 4.340 0.001 0.000 0.296 179 R C -1.035 175.257 176.300 -0.014 0.000 1.080 179 R CA -0.387 55.700 56.100 -0.022 0.000 0.922 179 R CB 0.431 30.760 30.300 0.049 0.000 1.184 179 R HN 0.947 nan 8.270 nan 0.000 0.445 180 N N 1.981 120.665 118.700 -0.027 0.000 2.714 180 N HA -0.261 4.479 4.740 0.001 0.000 0.253 180 N C 0.680 176.182 175.510 -0.012 0.000 1.024 180 N CA 0.967 54.006 53.050 -0.019 0.000 0.726 180 N CB -0.539 37.940 38.487 -0.013 0.000 0.908 180 N HN 1.096 nan 8.380 nan 0.000 0.542 181 G N -2.211 106.580 108.800 -0.016 0.000 2.234 181 G HA2 -0.176 3.784 3.960 0.001 0.000 0.260 181 G HA3 -0.176 3.784 3.960 0.001 0.000 0.260 181 G C 0.182 175.091 174.900 0.016 0.000 0.987 181 G CA 0.522 45.618 45.100 -0.005 0.000 0.625 181 G HN 1.071 nan 8.290 nan 0.000 0.532 182 A N -1.022 121.815 122.820 0.029 0.000 2.386 182 A HA 0.682 5.003 4.320 0.001 0.000 0.308 182 A C -0.426 177.236 177.584 0.129 0.000 1.128 182 A CA -0.531 51.546 52.037 0.066 0.000 0.789 182 A CB 1.063 20.089 19.000 0.044 0.000 1.325 182 A HN 1.348 nan 8.150 nan 0.000 0.437 183 Y N 1.787 122.110 120.300 0.038 0.000 2.697 183 Y HA 0.305 4.855 4.550 0.001 0.000 0.349 183 Y C -0.327 175.622 175.900 0.083 0.000 1.120 183 Y CA -0.467 57.687 58.100 0.091 0.000 1.468 183 Y CB 0.180 38.712 38.460 0.120 0.000 1.182 183 Y HN 0.573 nan 8.280 nan 0.000 0.525 184 D N 6.056 126.429 120.400 -0.045 0.000 2.473 184 D HA 0.032 4.672 4.640 0.001 0.000 0.226 184 D C 0.339 176.402 176.300 -0.395 0.000 1.089 184 D CA -0.524 53.329 54.000 -0.245 0.000 0.883 184 D CB -0.065 40.716 40.800 -0.033 0.000 1.029 184 D HN 0.599 nan 8.370 nan 0.000 0.517 185 Y N 2.310 122.275 120.300 -0.559 0.000 2.509 185 Y HA 0.096 4.647 4.550 0.001 0.000 0.293 185 Y C 1.376 177.217 175.900 -0.098 0.000 1.133 185 Y CA 0.319 58.152 58.100 -0.446 0.000 1.283 185 Y CB -0.535 37.656 38.460 -0.448 0.000 1.001 185 Y HN 0.277 nan 8.280 nan 0.000 0.555 186 L N 0.300 121.409 121.223 -0.189 0.000 2.162 186 L HA 0.081 4.422 4.340 0.001 0.000 0.205 186 L C 2.772 179.596 176.870 -0.076 0.000 1.086 186 L CA 0.814 55.615 54.840 -0.065 0.000 0.778 186 L CB -0.695 41.285 42.059 -0.133 0.000 0.928 186 L HN 0.339 nan 8.230 nan 0.000 0.446 187 A N -0.006 122.759 122.820 -0.090 0.000 1.969 187 A HA -0.240 4.081 4.320 0.001 0.000 0.218 187 A C 2.244 179.672 177.584 -0.259 0.000 1.169 187 A CA 1.690 53.717 52.037 -0.017 0.000 0.635 187 A CB -0.431 18.680 19.000 0.184 0.000 0.810 187 A HN 0.457 nan 8.150 nan 0.000 0.445 188 E N -0.265 119.605 120.200 -0.550 0.000 2.077 188 E HA -0.169 4.181 4.350 0.001 0.000 0.193 188 E C 1.940 178.381 176.600 -0.265 0.000 0.989 188 E CA 0.977 56.803 56.400 -0.956 0.000 0.800 188 E CB -0.178 29.206 29.700 -0.527 0.000 0.746 188 E HN 0.584 nan 8.360 nan 0.000 0.452 189 L N 0.977 122.184 121.223 -0.028 0.000 1.994 189 L HA -0.214 4.126 4.340 0.001 0.000 0.208 189 L C 1.816 178.761 176.870 0.124 0.000 1.071 189 L CA 1.903 56.812 54.840 0.115 0.000 0.745 189 L CB -0.456 41.625 42.059 0.036 0.000 0.892 189 L HN 0.204 nan 8.230 nan 0.000 0.431 190 D N -0.972 119.455 120.400 0.046 0.000 2.104 190 D HA -0.274 4.366 4.640 0.001 0.000 0.194 190 D C 1.858 178.231 176.300 0.122 0.000 0.994 190 D CA 1.457 55.499 54.000 0.071 0.000 0.830 190 D CB -0.374 40.454 40.800 0.047 0.000 0.959 190 D HN 0.401 nan 8.370 nan 0.000 0.452 191 Y N 1.313 121.587 120.300 -0.043 0.000 2.145 191 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 191 Y C 2.279 178.184 175.900 0.009 0.000 1.145 191 Y CA 1.907 60.005 58.100 -0.004 0.000 1.148 191 Y CB -0.294 38.132 38.460 -0.057 0.000 0.981 191 Y HN -0.042 nan 8.280 nan 0.000 0.507 192 A N -0.319 122.573 122.820 0.119 0.000 1.877 192 A HA -0.190 4.130 4.320 0.001 0.000 0.216 192 A C 2.094 179.621 177.584 -0.095 0.000 1.186 192 A CA 1.694 53.743 52.037 0.020 0.000 0.620 192 A CB -1.468 17.576 19.000 0.074 0.000 0.822 192 A HN 0.537 nan 8.150 nan 0.000 0.443 193 F N 0.243 120.164 119.950 -0.049 0.000 2.171 193 F HA -0.167 4.361 4.527 0.001 0.000 0.300 193 F C 2.065 177.793 175.800 -0.120 0.000 1.090 193 F CA 1.887 59.840 58.000 -0.079 0.000 1.293 193 F CB -0.324 38.632 39.000 -0.074 0.000 1.013 193 F HN 0.467 nan 8.300 nan 0.000 0.486 194 D N -0.151 120.267 120.400 0.031 0.000 2.144 194 D HA -0.209 4.431 4.640 0.001 0.000 0.199 194 D C 2.145 178.366 176.300 -0.132 0.000 0.984 194 D CA 0.931 54.899 54.000 -0.053 0.000 0.834 194 D CB -0.121 40.630 40.800 -0.082 0.000 0.955 194 D HN 0.152 nan 8.370 nan 0.000 0.465 195 L N 0.299 121.400 121.223 -0.203 0.000 2.046 195 L HA -0.084 4.257 4.340 0.001 0.000 0.208 195 L C 1.950 178.681 176.870 -0.232 0.000 1.077 195 L CA 1.333 56.046 54.840 -0.212 0.000 0.747 195 L CB -0.589 41.339 42.059 -0.219 0.000 0.896 195 L HN 0.185 nan 8.230 nan 0.000 0.432 196 I N -0.030 120.361 120.570 -0.298 0.000 2.127 196 I HA -0.289 3.881 4.170 0.001 0.000 0.241 196 I C 2.212 178.099 176.117 -0.382 0.000 1.075 196 I CA 1.371 62.388 61.300 -0.472 0.000 1.334 196 I CB -1.474 36.195 38.000 -0.552 0.000 1.040 196 I HN 0.303 nan 8.210 nan 0.000 0.405 197 D N 0.606 120.893 120.400 -0.188 0.000 2.158 197 D HA -0.193 4.448 4.640 0.001 0.000 0.197 197 D C 2.346 178.568 176.300 -0.129 0.000 0.995 197 D CA 1.146 55.078 54.000 -0.114 0.000 0.846 197 D CB -0.221 40.560 40.800 -0.032 0.000 0.941 197 D HN 0.394 nan 8.370 nan 0.000 0.456 198 R N 0.109 120.528 120.500 -0.134 0.000 2.115 198 R HA -0.015 4.326 4.340 0.001 0.000 0.226 198 R C 2.224 178.466 176.300 -0.098 0.000 1.100 198 R CA 0.789 56.830 56.100 -0.099 0.000 0.980 198 R CB -0.067 30.185 30.300 -0.080 0.000 0.875 198 R HN 0.356 nan 8.270 nan 0.000 0.445 199 Q N 0.211 119.910 119.800 -0.168 0.000 2.302 199 Q HA 0.072 4.412 4.340 0.001 0.000 0.202 199 Q C 0.837 176.796 176.000 -0.069 0.000 0.936 199 Q CA 0.071 55.814 55.803 -0.101 0.000 0.886 199 Q CB 0.318 29.003 28.738 -0.088 0.000 0.986 199 Q HN 0.055 nan 8.270 nan 0.000 0.487 200 S N 0.955 116.507 115.700 -0.247 0.000 2.559 200 S HA -0.031 4.439 4.470 0.001 0.000 0.282 200 S C 0.986 175.596 174.600 0.016 0.000 1.336 200 S CA 0.180 58.315 58.200 -0.109 0.000 1.037 200 S CB 0.703 63.783 63.200 -0.200 0.000 0.853 200 S HN 0.374 nan 8.310 nan 0.000 0.523 201 S N 2.394 118.134 115.700 0.066 0.000 2.597 201 S HA 0.397 4.868 4.470 0.001 0.000 0.224 201 S C 1.163 175.774 174.600 0.019 0.000 0.955 201 S CA 0.237 58.477 58.200 0.065 0.000 0.933 201 S CB -0.276 63.004 63.200 0.133 0.000 0.788 201 S HN 2.071 nan 8.310 nan 0.000 0.488 202 G N 1.827 110.614 108.800 -0.021 0.000 2.165 202 G HA2 -0.194 3.767 3.960 0.001 0.000 0.226 202 G HA3 -0.194 3.767 3.960 0.001 0.000 0.226 202 G C -0.087 174.772 174.900 -0.068 0.000 1.035 202 G CA -0.070 45.008 45.100 -0.036 0.000 0.744 202 G HN 0.525 nan 8.290 nan 0.000 0.501 203 N N 0.133 118.744 118.700 -0.147 0.000 2.610 203 N HA 0.198 4.939 4.740 0.001 0.000 0.307 203 N C 0.345 175.701 175.510 -0.257 0.000 1.813 203 N CA -0.244 52.649 53.050 -0.263 0.000 0.901 203 N CB 0.547 38.665 38.487 -0.615 0.000 1.354 203 N HN 0.378 nan 8.380 nan 0.000 0.491 204 L N 1.092 122.248 121.223 -0.112 0.000 2.433 204 L HA 0.203 4.543 4.340 0.001 0.000 0.275 204 L C 1.442 178.296 176.870 -0.026 0.000 1.128 204 L CA -0.102 54.714 54.840 -0.040 0.000 0.875 204 L CB 0.875 42.945 42.059 0.017 0.000 1.171 204 L HN 0.184 nan 8.230 nan 0.000 0.463 205 A N 3.477 126.286 122.820 -0.019 0.000 1.963 205 A HA 0.686 5.006 4.320 0.001 0.000 0.207 205 A C 0.780 178.377 177.584 0.022 0.000 1.243 205 A CA 0.862 52.898 52.037 -0.001 0.000 0.728 205 A CB 0.281 19.282 19.000 0.002 0.000 0.895 205 A HN 0.711 nan 8.150 nan 0.000 0.467 206 A N -1.941 120.900 122.820 0.036 0.000 2.599 206 A HA 0.615 4.935 4.320 0.001 0.000 0.290 206 A C -1.783 175.856 177.584 0.091 0.000 1.101 206 A CA -0.408 51.664 52.037 0.058 0.000 0.674 206 A CB 0.407 19.416 19.000 0.014 0.000 1.277 206 A HN 0.696 nan 8.150 nan 0.000 0.419 207 F N 0.539 120.479 119.950 -0.017 0.000 2.482 207 F HA 0.763 5.290 4.527 0.001 0.000 0.331 207 F C -0.601 175.150 175.800 -0.081 0.000 1.115 207 F CA -0.883 57.095 58.000 -0.036 0.000 0.955 207 F CB 1.463 40.464 39.000 0.001 0.000 1.136 207 F HN 0.584 nan 8.300 nan 0.000 0.452 208 I N 5.327 125.754 120.570 -0.238 0.000 2.433 208 I HA 0.828 4.998 4.170 0.001 0.000 0.292 208 I C -1.388 174.719 176.117 -0.016 0.000 1.001 208 I CA -0.259 60.956 61.300 -0.142 0.000 1.119 208 I CB 1.173 38.956 38.000 -0.363 0.000 1.289 208 I HN 0.763 nan 8.210 nan 0.000 0.438 209 A N 5.690 128.641 122.820 0.218 0.000 2.587 209 A HA 0.669 4.989 4.320 0.001 0.000 0.293 209 A C -1.449 176.407 177.584 0.453 0.000 1.087 209 A CA -0.672 51.636 52.037 0.453 0.000 0.692 209 A CB 1.485 20.814 19.000 0.550 0.000 1.291 209 A HN 0.705 nan 8.150 nan 0.000 0.407 210 E N 1.093 121.607 120.200 0.522 0.000 2.204 210 E HA 0.413 4.764 4.350 0.001 0.000 0.276 210 E C -1.876 174.888 176.600 0.273 0.000 0.974 210 E CA -1.781 54.824 56.400 0.341 0.000 0.815 210 E CB 1.764 31.618 29.700 0.256 0.000 1.119 210 E HN 0.355 nan 8.360 nan 0.000 0.393 211 P HA -0.022 nan 4.420 nan 0.000 0.219 211 P C -0.145 177.197 177.300 0.071 0.000 1.150 211 P CA 1.120 64.303 63.100 0.140 0.000 0.814 211 P CB 0.476 32.246 31.700 0.117 0.000 0.787 212 I N -0.643 119.961 120.570 0.056 0.000 2.468 212 I HA 0.161 4.332 4.170 0.001 0.000 0.285 212 I C -0.712 175.402 176.117 -0.004 0.000 1.039 212 I CA -1.206 60.092 61.300 -0.004 0.000 1.074 212 I CB 2.161 40.154 38.000 -0.010 0.000 1.228 212 I HN -0.334 nan 8.210 nan 0.000 0.436 213 L N 5.477 126.662 121.223 -0.063 0.000 2.485 213 L HA 0.116 4.457 4.340 0.001 0.000 0.279 213 L C 1.359 178.191 176.870 -0.064 0.000 1.124 213 L CA 0.803 55.609 54.840 -0.055 0.000 0.888 213 L CB 0.884 42.859 42.059 -0.139 0.000 1.217 213 L HN 0.655 nan 8.230 nan 0.000 0.464 214 S N 1.482 117.168 115.700 -0.022 0.000 2.325 214 S HA -0.160 4.311 4.470 0.001 0.000 0.213 214 S C 2.132 176.682 174.600 -0.083 0.000 1.031 214 S CA 1.546 59.719 58.200 -0.045 0.000 0.984 214 S CB -0.004 63.181 63.200 -0.024 0.000 0.939 214 S HN 0.746 nan 8.310 nan 0.000 0.438 215 S N 0.447 116.094 115.700 -0.087 0.000 2.383 215 S HA -0.049 4.422 4.470 0.001 0.000 0.229 215 S C 1.835 176.375 174.600 -0.100 0.000 1.030 215 S CA 1.706 59.813 58.200 -0.155 0.000 1.002 215 S CB -1.052 62.015 63.200 -0.221 0.000 0.829 215 S HN 0.675 nan 8.310 nan 0.000 0.467 216 G N -0.526 108.235 108.800 -0.065 0.000 2.708 216 G HA2 0.338 4.298 3.960 0.001 0.000 0.210 216 G HA3 0.338 4.298 3.960 0.001 0.000 0.210 216 G C 0.914 175.706 174.900 -0.179 0.000 1.141 216 G CA 0.367 45.409 45.100 -0.097 0.000 0.788 216 G HN 1.360 nan 8.290 nan 0.000 0.531 217 G N 0.060 108.763 108.800 -0.161 0.000 2.173 217 G HA2 -0.126 3.835 3.960 0.001 0.000 0.174 217 G HA3 -0.126 3.835 3.960 0.001 0.000 0.174 217 G C 0.433 175.227 174.900 -0.177 0.000 1.025 217 G CA -0.417 44.579 45.100 -0.174 0.000 0.706 217 G HN 0.990 nan 8.290 nan 0.000 0.499 218 I N -1.041 119.445 120.570 -0.140 0.000 7.154 218 I HA -0.238 3.932 4.170 0.001 0.000 0.126 218 I C 0.499 176.528 176.117 -0.147 0.000 1.808 218 I CA 0.864 62.097 61.300 -0.111 0.000 2.123 218 I CB -0.792 37.168 38.000 -0.067 0.000 3.552 218 I HN 0.373 nan 8.210 nan 0.000 0.195 219 I N 3.097 123.541 120.570 -0.211 0.000 2.330 219 I HA 0.264 4.435 4.170 0.001 0.000 0.289 219 I C 0.800 176.807 176.117 -0.184 0.000 1.001 219 I CA -0.358 60.786 61.300 -0.261 0.000 1.193 219 I CB 0.941 38.674 38.000 -0.446 0.000 1.345 219 I HN 0.225 nan 8.210 nan 0.000 0.461 220 E N 6.571 126.699 120.200 -0.120 0.000 2.229 220 E HA 0.339 4.690 4.350 0.001 0.000 0.283 220 E C -0.670 175.831 176.600 -0.165 0.000 1.030 220 E CA -0.657 55.681 56.400 -0.103 0.000 0.836 220 E CB 1.478 31.145 29.700 -0.054 0.000 1.068 220 E HN 0.464 nan 8.360 nan 0.000 0.401 221 L N 6.394 127.508 121.223 -0.181 0.000 2.462 221 L HA 0.128 4.468 4.340 0.001 0.000 0.272 221 L C -1.729 175.016 176.870 -0.208 0.000 1.166 221 L CA -1.548 53.122 54.840 -0.284 0.000 0.880 221 L CB -0.226 41.756 42.059 -0.129 0.000 1.142 221 L HN 0.304 nan 8.230 nan 0.000 0.473 222 P HA 0.050 nan 4.420 nan 0.000 0.274 222 P C -1.169 176.079 177.300 -0.087 0.000 1.260 222 P CA -0.660 62.257 63.100 -0.306 0.000 0.793 222 P CB 0.264 31.490 31.700 -0.790 0.000 1.048 223 D N -1.684 118.745 120.400 0.047 0.000 2.450 223 D HA 0.295 4.935 4.640 0.001 0.000 0.247 223 D C 1.258 177.696 176.300 0.231 0.000 1.162 223 D CA 0.333 54.414 54.000 0.135 0.000 0.879 223 D CB -0.555 40.314 40.800 0.115 0.000 1.163 223 D HN 0.764 nan 8.370 nan 0.000 0.472 224 G N 1.813 110.715 108.800 0.171 0.000 2.205 224 G HA2 -0.440 3.520 3.960 0.001 0.000 0.261 224 G HA3 -0.440 3.520 3.960 0.001 0.000 0.261 224 G C 0.565 175.572 174.900 0.178 0.000 0.980 224 G CA 0.454 45.646 45.100 0.152 0.000 0.632 224 G HN 0.615 nan 8.290 nan 0.000 0.533 225 Y N 0.834 121.200 120.300 0.109 0.000 2.114 225 Y HA 0.024 4.574 4.550 0.001 0.000 0.284 225 Y C 3.016 178.941 175.900 0.040 0.000 1.143 225 Y CA 2.573 60.726 58.100 0.088 0.000 1.135 225 Y CB -0.187 38.264 38.460 -0.016 0.000 0.980 225 Y HN 0.277 nan 8.280 nan 0.000 0.499 226 M N -0.405 119.305 119.600 0.184 0.000 2.149 226 M HA -0.251 4.229 4.480 0.001 0.000 0.261 226 M C 2.390 178.666 176.300 -0.040 0.000 1.064 226 M CA 1.713 57.063 55.300 0.084 0.000 1.102 226 M CB -1.126 31.546 32.600 0.120 0.000 1.369 226 M HN 0.516 nan 8.290 nan 0.000 0.408 227 A N 0.007 122.811 122.820 -0.027 0.000 1.898 227 A HA 0.013 4.334 4.320 0.001 0.000 0.216 227 A C 2.367 179.876 177.584 -0.124 0.000 1.181 227 A CA 1.848 53.850 52.037 -0.059 0.000 0.620 227 A CB -0.814 18.171 19.000 -0.026 0.000 0.819 227 A HN 0.494 nan 8.150 nan 0.000 0.442 228 A N -0.600 122.125 122.820 -0.159 0.000 1.933 228 A HA -0.015 4.305 4.320 0.001 0.000 0.218 228 A C 2.111 179.495 177.584 -0.335 0.000 1.175 228 A CA 1.705 53.604 52.037 -0.230 0.000 0.628 228 A CB -0.557 18.303 19.000 -0.232 0.000 0.814 228 A HN 0.600 nan 8.150 nan 0.000 0.444 229 L N -0.071 120.907 121.223 -0.408 0.000 2.017 229 L HA -0.103 4.237 4.340 0.001 0.000 0.208 229 L C 2.287 178.946 176.870 -0.351 0.000 1.073 229 L CA 2.708 57.278 54.840 -0.451 0.000 0.745 229 L CB -0.661 41.133 42.059 -0.441 0.000 0.894 229 L HN 0.376 nan 8.230 nan 0.000 0.432 230 K N -0.388 119.870 120.400 -0.237 0.000 2.103 230 K HA -0.207 4.114 4.320 0.001 0.000 0.207 230 K C 2.287 178.774 176.600 -0.189 0.000 1.048 230 K CA 1.655 57.838 56.287 -0.173 0.000 0.930 230 K CB -0.192 32.242 32.500 -0.109 0.000 0.716 230 K HN 0.229 nan 8.250 nan 0.000 0.444 231 R N 0.016 120.393 120.500 -0.205 0.000 2.092 231 R HA -0.006 4.335 4.340 0.001 0.000 0.231 231 R C 2.067 178.204 176.300 -0.272 0.000 1.119 231 R CA 1.304 57.284 56.100 -0.199 0.000 0.970 231 R CB -0.018 30.176 30.300 -0.176 0.000 0.864 231 R HN 0.056 nan 8.270 nan 0.000 0.440 232 K N 0.074 120.233 120.400 -0.402 0.000 2.103 232 K HA -0.148 4.173 4.320 0.001 0.000 0.207 232 K C 2.112 178.400 176.600 -0.521 0.000 1.048 232 K CA 1.296 57.202 56.287 -0.636 0.000 0.930 232 K CB -0.424 31.386 32.500 -1.151 0.000 0.716 232 K HN 0.288 nan 8.250 nan 0.000 0.444 233 C N 0.959 120.049 119.300 -0.349 0.000 2.453 233 C HA -0.044 4.417 4.460 0.001 0.000 0.277 233 C C 2.583 177.497 174.990 -0.126 0.000 1.262 233 C CA 0.481 59.398 59.018 -0.168 0.000 1.718 233 C CB -0.654 27.034 27.740 -0.086 0.000 2.031 233 C HN 0.536 nan 8.230 nan 0.000 0.480 234 E N 1.110 121.230 120.200 -0.134 0.000 2.077 234 E HA -0.174 4.176 4.350 0.001 0.000 0.193 234 E C 2.316 178.856 176.600 -0.100 0.000 0.989 234 E CA 1.391 57.731 56.400 -0.101 0.000 0.800 234 E CB -0.270 29.370 29.700 -0.099 0.000 0.746 234 E HN 0.655 nan 8.360 nan 0.000 0.452 235 A N 0.916 123.657 122.820 -0.132 0.000 2.070 235 A HA -0.143 4.178 4.320 0.001 0.000 0.220 235 A C 1.879 179.406 177.584 -0.095 0.000 1.159 235 A CA 1.149 53.116 52.037 -0.116 0.000 0.656 235 A CB -0.196 18.717 19.000 -0.145 0.000 0.800 235 A HN 0.055 nan 8.150 nan 0.000 0.453 236 R N -1.713 118.729 120.500 -0.096 0.000 2.362 236 R HA 0.267 4.607 4.340 0.001 0.000 0.227 236 R C 1.032 177.311 176.300 -0.035 0.000 0.905 236 R CA 0.487 56.554 56.100 -0.055 0.000 1.067 236 R CB 0.177 30.459 30.300 -0.030 0.000 1.078 236 R HN 0.598 nan 8.270 nan 0.000 0.516 237 G N 1.599 110.374 108.800 -0.042 0.000 2.176 237 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 237 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 237 G C 0.005 174.895 174.900 -0.017 0.000 1.024 237 G CA 0.246 45.328 45.100 -0.030 0.000 0.755 237 G HN 0.175 nan 8.290 nan 0.000 0.507 238 M N -0.347 119.246 119.600 -0.011 0.000 2.478 238 M HA 0.636 5.117 4.480 0.001 0.000 0.327 238 M C 0.756 177.061 176.300 0.009 0.000 1.187 238 M CA -0.729 54.581 55.300 0.016 0.000 1.022 238 M CB 1.553 34.193 32.600 0.065 0.000 1.629 238 M HN 0.032 nan 8.290 nan 0.000 0.461 239 L N 2.093 123.326 121.223 0.016 0.000 2.379 239 L HA 0.520 4.860 4.340 0.001 0.000 0.269 239 L C -0.755 176.136 176.870 0.035 0.000 1.084 239 L CA -0.964 53.878 54.840 0.005 0.000 0.802 239 L CB 1.064 43.116 42.059 -0.012 0.000 1.175 239 L HN 0.506 nan 8.230 nan 0.000 0.448 240 L N 3.362 124.597 121.223 0.019 0.000 2.280 240 L HA 0.503 4.844 4.340 0.001 0.000 0.287 240 L C -0.546 176.344 176.870 0.032 0.000 1.023 240 L CA 0.165 55.034 54.840 0.048 0.000 0.819 240 L CB 0.869 42.935 42.059 0.012 0.000 1.212 240 L HN 0.330 nan 8.230 nan 0.000 0.420 241 I N 6.165 126.766 120.570 0.052 0.000 2.354 241 I HA 0.318 4.489 4.170 0.001 0.000 0.292 241 I C -0.626 175.518 176.117 0.046 0.000 0.989 241 I CA -0.503 60.803 61.300 0.011 0.000 1.188 241 I CB 1.455 39.433 38.000 -0.036 0.000 1.342 241 I HN 0.448 nan 8.210 nan 0.000 0.457 242 L N 5.671 126.917 121.223 0.038 0.000 2.305 242 L HA 0.350 4.690 4.340 0.001 0.000 0.284 242 L C -0.572 176.347 176.870 0.082 0.000 1.013 242 L CA -0.514 54.377 54.840 0.086 0.000 0.819 242 L CB 1.659 43.764 42.059 0.076 0.000 1.227 242 L HN 0.542 nan 8.230 nan 0.000 0.417 243 D N 4.090 124.574 120.400 0.140 0.000 2.396 243 D HA 0.098 4.738 4.640 0.001 0.000 0.225 243 D C 0.084 176.487 176.300 0.171 0.000 1.121 243 D CA 0.005 54.100 54.000 0.159 0.000 0.853 243 D CB 0.904 41.871 40.800 0.279 0.000 1.043 243 D HN 0.473 nan 8.370 nan 0.000 0.500 244 E N 2.652 122.937 120.200 0.142 0.000 2.499 244 E HA 0.169 4.520 4.350 0.001 0.000 0.207 244 E C 1.212 177.898 176.600 0.143 0.000 1.034 244 E CA -0.369 56.125 56.400 0.157 0.000 1.098 244 E CB 0.779 30.600 29.700 0.203 0.000 1.148 244 E HN 0.549 nan 8.360 nan 0.000 0.447 245 A N 0.985 123.888 122.820 0.137 0.000 1.927 245 A HA -0.276 4.044 4.320 0.001 0.000 0.220 245 A C 2.070 179.712 177.584 0.097 0.000 1.185 245 A CA 1.525 53.635 52.037 0.121 0.000 0.639 245 A CB -0.089 18.998 19.000 0.145 0.000 0.820 245 A HN 0.244 nan 8.150 nan 0.000 0.451 246 Q N -1.874 117.982 119.800 0.094 0.000 2.373 246 Q HA -0.032 4.309 4.340 0.001 0.000 0.210 246 Q C 2.142 178.166 176.000 0.040 0.000 0.913 246 Q CA 1.300 57.138 55.803 0.057 0.000 0.911 246 Q CB 0.111 28.878 28.738 0.049 0.000 1.040 246 Q HN 0.881 nan 8.270 nan 0.000 0.521 247 T N -2.289 112.302 114.554 0.063 0.000 3.035 247 T HA 0.117 4.467 4.350 0.001 0.000 0.259 247 T C 1.114 175.838 174.700 0.039 0.000 1.078 247 T CA 0.339 62.468 62.100 0.048 0.000 1.132 247 T CB -0.099 68.811 68.868 0.071 0.000 0.900 247 T HN 0.129 nan 8.240 nan 0.000 0.480 248 G N 0.977 109.829 108.800 0.087 0.000 2.636 248 G HA2 0.408 4.368 3.960 0.001 0.000 0.246 248 G HA3 0.408 4.368 3.960 0.001 0.000 0.246 248 G C 0.225 175.065 174.900 -0.099 0.000 1.216 248 G CA 0.064 45.209 45.100 0.075 0.000 0.854 248 G HN 0.972 nan 8.290 nan 0.000 0.572 249 V N -0.005 119.705 119.914 -0.341 0.000 6.003 249 V HA -0.195 3.925 4.120 0.001 0.000 0.330 249 V C 1.872 177.828 176.094 -0.231 0.000 0.425 249 V CA 1.432 63.555 62.300 -0.294 0.000 0.692 249 V CB -2.051 29.691 31.823 -0.135 0.000 0.366 249 V HN 2.822 nan 8.190 nan 0.000 1.322 250 G N -0.331 108.307 108.800 -0.271 0.000 2.205 250 G HA2 -0.437 3.523 3.960 0.001 0.000 0.261 250 G HA3 -0.437 3.523 3.960 0.001 0.000 0.261 250 G C 0.881 175.710 174.900 -0.118 0.000 0.980 250 G CA 1.347 46.339 45.100 -0.179 0.000 0.632 250 G HN 0.886 nan 8.290 nan 0.000 0.533 251 R N 0.644 121.082 120.500 -0.103 0.000 2.103 251 R HA -0.140 4.201 4.340 0.001 0.000 0.242 251 R C 2.722 178.983 176.300 -0.065 0.000 1.142 251 R CA 2.611 58.664 56.100 -0.078 0.000 0.960 251 R CB -0.505 29.757 30.300 -0.064 0.000 0.858 251 R HN 0.683 nan 8.270 nan 0.000 0.439 252 T N -3.813 110.709 114.554 -0.053 0.000 3.169 252 T HA 0.261 4.612 4.350 0.001 0.000 0.250 252 T C 1.089 175.767 174.700 -0.037 0.000 1.111 252 T CA 0.435 62.513 62.100 -0.037 0.000 1.010 252 T CB 0.847 69.706 68.868 -0.016 0.000 0.984 252 T HN 0.480 nan 8.240 nan 0.000 0.537 253 G N 0.877 109.647 108.800 -0.051 0.000 2.201 253 G HA2 -0.145 3.815 3.960 0.001 0.000 0.212 253 G HA3 -0.145 3.815 3.960 0.001 0.000 0.212 253 G C 0.189 175.063 174.900 -0.043 0.000 0.994 253 G CA 0.051 45.125 45.100 -0.043 0.000 0.644 253 G HN 1.179 nan 8.290 nan 0.000 0.508 254 T N -3.011 111.512 114.554 -0.053 0.000 2.901 254 T HA 0.649 4.999 4.350 0.001 0.000 0.293 254 T C 1.079 175.702 174.700 -0.129 0.000 1.084 254 T CA 0.093 62.162 62.100 -0.052 0.000 1.008 254 T CB 1.807 70.672 68.868 -0.004 0.000 1.170 254 T HN 0.265 nan 8.240 nan 0.000 0.509 255 M N 0.231 119.725 119.600 -0.177 0.000 2.080 255 M HA 0.265 4.745 4.480 0.001 0.000 0.260 255 M C -0.691 175.120 176.300 -0.815 0.000 1.068 255 M CA 1.444 56.467 55.300 -0.462 0.000 1.109 255 M CB -0.753 31.601 32.600 -0.410 0.000 1.342 255 M HN 0.647 nan 8.290 nan 0.000 0.405 256 F N -1.873 118.079 119.950 0.003 0.000 2.551 256 F HA 0.562 5.089 4.527 0.001 0.000 0.316 256 F C 0.974 176.781 175.800 0.013 0.000 1.089 256 F CA -0.657 57.348 58.000 0.009 0.000 0.915 256 F CB 0.787 39.793 39.000 0.010 0.000 1.186 256 F HN -0.014 nan 8.300 nan 0.000 0.456 257 A N 0.776 123.709 122.820 0.189 0.000 1.978 257 A HA -0.202 4.119 4.320 0.001 0.000 0.220 257 A C 2.142 179.799 177.584 0.122 0.000 1.170 257 A CA 1.936 54.044 52.037 0.118 0.000 0.636 257 A CB -1.380 17.678 19.000 0.096 0.000 0.810 257 A HN 1.044 nan 8.150 nan 0.000 0.448 258 C N -1.175 118.216 119.300 0.151 0.000 2.410 258 C HA -0.133 4.327 4.460 0.001 0.000 0.281 258 C C 2.421 177.466 174.990 0.092 0.000 1.318 258 C CA 1.028 60.109 59.018 0.106 0.000 1.776 258 C CB -1.812 25.972 27.740 0.074 0.000 1.942 258 C HN 0.652 nan 8.230 nan 0.000 0.508 259 Q N 0.636 120.508 119.800 0.120 0.000 2.170 259 Q HA -0.188 4.152 4.340 0.001 0.000 0.203 259 Q C 2.476 178.514 176.000 0.063 0.000 0.976 259 Q CA 1.765 57.624 55.803 0.094 0.000 0.858 259 Q CB -0.243 28.564 28.738 0.114 0.000 0.907 259 Q HN 0.692 nan 8.270 nan 0.000 0.433 260 R N 1.074 121.610 120.500 0.061 0.000 2.073 260 R HA -0.134 4.207 4.340 0.001 0.000 0.234 260 R C 1.507 177.834 176.300 0.044 0.000 1.134 260 R CA 1.859 57.986 56.100 0.045 0.000 0.952 260 R CB -0.136 30.189 30.300 0.042 0.000 0.850 260 R HN 0.275 nan 8.270 nan 0.000 0.433 261 D N -1.683 118.747 120.400 0.051 0.000 2.183 261 D HA 0.011 4.651 4.640 0.001 0.000 0.203 261 D C 0.888 177.211 176.300 0.038 0.000 0.969 261 D CA 1.512 55.541 54.000 0.049 0.000 0.842 261 D CB 0.203 41.038 40.800 0.058 0.000 0.957 261 D HN 0.541 nan 8.370 nan 0.000 0.484 262 G N 1.099 109.922 108.800 0.038 0.000 2.141 262 G HA2 -0.256 3.705 3.960 0.001 0.000 0.242 262 G HA3 -0.256 3.705 3.960 0.001 0.000 0.242 262 G C 0.455 175.365 174.900 0.017 0.000 0.982 262 G CA 0.436 45.552 45.100 0.026 0.000 0.662 262 G HN 0.398 nan 8.290 nan 0.000 0.527 263 V N -0.351 119.575 119.914 0.020 0.000 2.370 263 V HA 0.862 4.982 4.120 0.001 0.000 0.279 263 V C 0.394 176.490 176.094 0.003 0.000 1.029 263 V CA 0.082 62.386 62.300 0.006 0.000 0.870 263 V CB 1.310 33.136 31.823 0.005 0.000 0.984 263 V HN 1.167 nan 8.190 nan 0.000 0.451 264 T N 5.162 119.709 114.554 -0.012 0.000 2.767 264 T HA 0.650 5.000 4.350 0.001 0.000 0.288 264 T C -1.778 172.903 174.700 -0.031 0.000 0.963 264 T CA -1.526 60.560 62.100 -0.024 0.000 1.019 264 T CB 1.492 70.340 68.868 -0.033 0.000 0.923 264 T HN 0.811 nan 8.240 nan 0.000 0.468 265 P HA 0.352 nan 4.420 nan 0.000 0.277 265 P C 0.157 177.429 177.300 -0.047 0.000 1.271 265 P CA -0.365 62.717 63.100 -0.030 0.000 0.795 265 P CB 0.949 32.637 31.700 -0.019 0.000 1.101 266 D N -0.491 119.884 120.400 -0.042 0.000 2.162 266 D HA 0.071 4.711 4.640 0.001 0.000 0.203 266 D C 0.622 176.880 176.300 -0.070 0.000 0.967 266 D CA 1.412 55.380 54.000 -0.054 0.000 0.840 266 D CB 0.290 41.063 40.800 -0.045 0.000 0.972 266 D HN 0.335 nan 8.370 nan 0.000 0.482 267 I N 0.904 121.435 120.570 -0.065 0.000 2.569 267 I HA 0.234 4.404 4.170 0.001 0.000 0.290 267 I C -1.103 174.969 176.117 -0.075 0.000 1.088 267 I CA -0.920 60.330 61.300 -0.083 0.000 1.047 267 I CB 2.898 40.844 38.000 -0.091 0.000 1.237 267 I HN -0.224 nan 8.210 nan 0.000 0.421 268 L N 6.330 127.495 121.223 -0.097 0.000 2.341 268 L HA 0.714 5.054 4.340 0.001 0.000 0.278 268 L C -0.072 176.750 176.870 -0.080 0.000 1.005 268 L CA 0.191 54.974 54.840 -0.095 0.000 0.818 268 L CB 1.918 43.871 42.059 -0.176 0.000 1.259 268 L HN 0.729 nan 8.230 nan 0.000 0.418 269 T N 3.371 117.905 114.554 -0.034 0.000 2.856 269 T HA 0.776 5.127 4.350 0.001 0.000 0.283 269 T C -0.547 174.172 174.700 0.031 0.000 1.008 269 T CA -0.687 61.404 62.100 -0.015 0.000 0.997 269 T CB 1.091 69.951 68.868 -0.014 0.000 0.992 269 T HN 0.553 nan 8.240 nan 0.000 0.454 270 L N 2.357 123.602 121.223 0.038 0.000 2.371 270 L HA 0.756 5.096 4.340 0.001 0.000 0.262 270 L C 0.604 177.515 176.870 0.069 0.000 1.006 270 L CA -0.866 54.022 54.840 0.080 0.000 0.818 270 L CB 2.459 44.583 42.059 0.108 0.000 1.354 270 L HN 1.050 nan 8.230 nan 0.000 0.415 271 S N -0.438 115.308 115.700 0.078 0.000 6.155 271 S HA 0.118 4.589 4.470 0.001 0.000 0.106 271 S C 1.073 175.708 174.600 0.059 0.000 1.181 271 S CA -0.505 57.735 58.200 0.067 0.000 1.352 271 S CB 0.097 63.342 63.200 0.074 0.000 2.017 271 S HN 0.468 nan 8.310 nan 0.000 0.611 272 K N 1.696 122.136 120.400 0.066 0.000 2.000 272 K HA -0.142 4.178 4.320 0.001 0.000 0.218 272 K C 2.510 179.125 176.600 0.026 0.000 1.053 272 K CA 2.419 58.735 56.287 0.049 0.000 0.946 272 K CB -1.045 31.488 32.500 0.055 0.000 0.723 272 K HN 0.785 nan 8.250 nan 0.000 0.446 273 T N 0.388 114.956 114.554 0.023 0.000 2.867 273 T HA -0.078 4.273 4.350 0.001 0.000 0.268 273 T C 1.953 176.651 174.700 -0.003 0.000 1.057 273 T CA 0.672 62.772 62.100 -0.002 0.000 1.136 273 T CB -0.303 68.558 68.868 -0.012 0.000 0.874 273 T HN 0.116 nan 8.240 nan 0.000 0.466 274 L N 0.883 122.119 121.223 0.022 0.000 2.046 274 L HA 0.048 4.389 4.340 0.001 0.000 0.208 274 L C 2.836 179.708 176.870 0.003 0.000 1.077 274 L CA 1.899 56.752 54.840 0.021 0.000 0.747 274 L CB -0.923 41.163 42.059 0.044 0.000 0.896 274 L HN 0.541 nan 8.230 nan 0.000 0.432 275 G N -2.003 106.801 108.800 0.007 0.000 2.712 275 G HA2 0.067 4.027 3.960 0.001 0.000 0.212 275 G HA3 0.067 4.027 3.960 0.001 0.000 0.212 275 G C 0.968 175.861 174.900 -0.011 0.000 1.142 275 G CA 0.465 45.565 45.100 -0.001 0.000 0.789 275 G HN 0.596 nan 8.290 nan 0.000 0.535 276 A N -1.461 121.348 122.820 -0.018 0.000 2.783 276 A HA 0.183 4.503 4.320 0.001 0.000 0.292 276 A C 1.888 179.458 177.584 -0.023 0.000 1.495 276 A CA 1.922 53.939 52.037 -0.034 0.000 0.787 276 A CB -1.485 17.483 19.000 -0.052 0.000 1.017 276 A HN 2.230 nan 8.150 nan 0.000 0.516 277 G N -3.295 105.502 108.800 -0.005 0.000 2.428 277 G HA2 0.053 4.013 3.960 0.001 0.000 0.199 277 G HA3 0.053 4.013 3.960 0.001 0.000 0.199 277 G C 0.047 174.962 174.900 0.025 0.000 1.005 277 G CA 0.246 45.355 45.100 0.014 0.000 0.671 277 G HN 1.420 nan 8.290 nan 0.000 0.485 278 L N 2.428 123.660 121.223 0.015 0.000 2.375 278 L HA 0.693 5.034 4.340 0.001 0.000 0.268 278 L C -2.022 174.851 176.870 0.005 0.000 1.058 278 L CA -2.115 52.730 54.840 0.009 0.000 0.803 278 L CB 1.313 43.374 42.059 0.003 0.000 1.212 278 L HN -0.094 nan 8.230 nan 0.000 0.451 279 P HA 0.292 nan 4.420 nan 0.000 0.273 279 P C -1.388 175.912 177.300 -0.001 0.000 1.428 279 P CA -0.129 62.969 63.100 -0.003 0.000 0.995 279 P CB 0.558 32.245 31.700 -0.021 0.000 1.286 280 L N 3.099 124.331 121.223 0.015 0.000 2.455 280 L HA 0.844 5.185 4.340 0.001 0.000 0.264 280 L C -1.331 175.559 176.870 0.033 0.000 0.968 280 L CA -0.715 54.137 54.840 0.021 0.000 0.827 280 L CB 2.035 44.099 42.059 0.008 0.000 1.317 280 L HN 0.378 nan 8.230 nan 0.000 0.407 281 A N 3.257 126.101 122.820 0.040 0.000 2.569 281 A HA 1.085 5.406 4.320 0.001 0.000 0.290 281 A C -1.456 176.145 177.584 0.029 0.000 1.136 281 A CA -0.064 51.997 52.037 0.040 0.000 0.710 281 A CB 1.722 20.750 19.000 0.047 0.000 1.303 281 A HN 1.758 nan 8.150 nan 0.000 0.413 282 A N -0.335 122.494 122.820 0.016 0.000 2.608 282 A HA 0.712 5.033 4.320 0.001 0.000 0.292 282 A C -1.087 176.477 177.584 -0.034 0.000 1.066 282 A CA 0.112 52.145 52.037 -0.007 0.000 0.676 282 A CB 0.614 19.614 19.000 0.000 0.000 1.277 282 A HN 2.191 nan 8.150 nan 0.000 0.413 283 I N -1.083 119.450 120.570 -0.062 0.000 2.569 283 I HA 0.899 5.069 4.170 0.001 0.000 0.296 283 I C -1.325 174.735 176.117 -0.095 0.000 1.028 283 I CA -1.085 60.161 61.300 -0.090 0.000 1.082 283 I CB 2.140 40.065 38.000 -0.125 0.000 1.264 283 I HN 0.310 nan 8.210 nan 0.000 0.429 284 V N 4.347 124.195 119.914 -0.111 0.000 2.531 284 V HA 0.659 4.779 4.120 0.001 0.000 0.301 284 V C -0.062 175.957 176.094 -0.125 0.000 1.034 284 V CA -0.229 61.999 62.300 -0.121 0.000 0.865 284 V CB 1.572 33.306 31.823 -0.148 0.000 0.995 284 V HN 0.971 nan 8.190 nan 0.000 0.424 285 T N 1.992 116.475 114.554 -0.119 0.000 2.838 285 T HA 0.577 4.927 4.350 0.001 0.000 0.292 285 T C -0.068 174.572 174.700 -0.099 0.000 1.113 285 T CA 0.011 62.042 62.100 -0.115 0.000 1.008 285 T CB 1.981 70.768 68.868 -0.134 0.000 1.259 285 T HN 0.971 nan 8.240 nan 0.000 0.520 286 S N 1.048 116.695 115.700 -0.089 0.000 2.603 286 S HA 0.558 5.028 4.470 0.001 0.000 0.268 286 S C 1.699 176.257 174.600 -0.071 0.000 1.317 286 S CA -0.088 58.068 58.200 -0.073 0.000 1.012 286 S CB 0.840 64.002 63.200 -0.063 0.000 0.926 286 S HN 0.987 nan 8.310 nan 0.000 0.539 287 A N 2.113 124.898 122.820 -0.058 0.000 1.908 287 A HA 0.099 4.419 4.320 0.001 0.000 0.218 287 A C 2.401 179.956 177.584 -0.048 0.000 1.181 287 A CA 1.866 53.871 52.037 -0.053 0.000 0.627 287 A CB -1.700 17.275 19.000 -0.042 0.000 0.818 287 A HN 1.364 nan 8.150 nan 0.000 0.445 288 A N -0.154 122.640 122.820 -0.044 0.000 1.883 288 A HA -0.128 4.193 4.320 0.001 0.000 0.217 288 A C 2.126 179.684 177.584 -0.044 0.000 1.186 288 A CA 1.680 53.695 52.037 -0.037 0.000 0.624 288 A CB -0.618 18.362 19.000 -0.034 0.000 0.822 288 A HN 0.493 nan 8.150 nan 0.000 0.444 289 I N -0.676 119.857 120.570 -0.061 0.000 2.179 289 I HA -0.220 3.950 4.170 0.001 0.000 0.242 289 I C 2.642 178.702 176.117 -0.095 0.000 1.088 289 I CA 1.590 62.844 61.300 -0.078 0.000 1.357 289 I CB -0.226 37.717 38.000 -0.094 0.000 1.051 289 I HN 0.390 nan 8.210 nan 0.000 0.409 290 E N 0.907 121.046 120.200 -0.101 0.000 2.077 290 E HA -0.242 4.108 4.350 0.001 0.000 0.193 290 E C 1.984 178.562 176.600 -0.037 0.000 0.989 290 E CA 1.317 57.653 56.400 -0.107 0.000 0.800 290 E CB 0.007 29.642 29.700 -0.108 0.000 0.746 290 E HN 0.402 nan 8.360 nan 0.000 0.452 291 E N 0.414 120.604 120.200 -0.017 0.000 2.085 291 E HA -0.185 4.165 4.350 0.001 0.000 0.194 291 E C 2.169 178.806 176.600 0.062 0.000 0.994 291 E CA 0.650 57.071 56.400 0.035 0.000 0.801 291 E CB -0.230 29.480 29.700 0.016 0.000 0.743 291 E HN 0.057 nan 8.360 nan 0.000 0.453 292 R N 0.651 121.159 120.500 0.013 0.000 2.066 292 R HA 0.010 4.350 4.340 0.001 0.000 0.232 292 R C 2.166 178.472 176.300 0.011 0.000 1.131 292 R CA 1.405 57.508 56.100 0.005 0.000 0.955 292 R CB -0.991 29.300 30.300 -0.015 0.000 0.851 292 R HN 0.170 nan 8.270 nan 0.000 0.432 293 A N -0.326 122.486 122.820 -0.013 0.000 1.908 293 A HA -0.230 4.090 4.320 0.001 0.000 0.218 293 A C 2.122 179.763 177.584 0.096 0.000 1.181 293 A CA 2.029 54.063 52.037 -0.005 0.000 0.627 293 A CB -0.788 18.088 19.000 -0.207 0.000 0.818 293 A HN 0.547 nan 8.150 nan 0.000 0.445 294 H N 0.118 119.190 119.070 0.003 0.000 2.321 294 H HA -0.075 4.482 4.556 0.001 0.000 0.300 294 H C 1.908 177.257 175.328 0.036 0.000 1.087 294 H CA 2.018 58.089 56.048 0.038 0.000 1.319 294 H CB -0.170 29.600 29.762 0.012 0.000 1.379 294 H HN 0.609 nan 8.280 nan 0.000 0.501 295 E N -0.455 119.704 120.200 -0.068 0.000 2.160 295 E HA -0.133 4.218 4.350 0.001 0.000 0.195 295 E C 1.419 177.959 176.600 -0.101 0.000 0.991 295 E CA 0.725 57.056 56.400 -0.116 0.000 0.810 295 E CB 0.056 29.742 29.700 -0.024 0.000 0.742 295 E HN 0.331 nan 8.360 nan 0.000 0.466 296 L N -0.535 120.663 121.223 -0.042 0.000 2.599 296 L HA 0.118 4.458 4.340 0.001 0.000 0.230 296 L C 1.336 178.204 176.870 -0.004 0.000 1.141 296 L CA 1.175 56.010 54.840 -0.009 0.000 0.877 296 L CB -0.290 41.785 42.059 0.027 0.000 1.009 296 L HN 0.254 nan 8.230 nan 0.000 0.447 297 G N -1.618 107.162 108.800 -0.034 0.000 2.140 297 G HA2 -0.346 3.614 3.960 0.001 0.000 0.211 297 G HA3 -0.346 3.614 3.960 0.001 0.000 0.211 297 G C 0.168 175.102 174.900 0.057 0.000 1.013 297 G CA -0.093 44.995 45.100 -0.020 0.000 0.705 297 G HN 0.249 nan 8.290 nan 0.000 0.508 298 Y N -0.309 119.982 120.300 -0.015 0.000 2.717 298 Y HA 0.434 4.984 4.550 0.001 0.000 0.330 298 Y C 0.345 176.241 175.900 -0.007 0.000 1.217 298 Y CA 0.352 58.458 58.100 0.010 0.000 1.506 298 Y CB 0.401 38.877 38.460 0.027 0.000 1.268 298 Y HN 0.386 nan 8.280 nan 0.000 0.561 299 L N 7.676 128.539 121.223 -0.600 0.000 2.410 299 L HA 0.527 4.868 4.340 0.001 0.000 0.270 299 L C -1.914 174.552 176.870 -0.672 0.000 0.983 299 L CA -0.555 53.952 54.840 -0.554 0.000 0.822 299 L CB 1.408 43.291 42.059 -0.293 0.000 1.285 299 L HN 0.675 nan 8.230 nan 0.000 0.409 300 F N 4.616 124.121 119.950 -0.742 0.000 3.164 300 F HA 0.437 4.964 4.527 0.001 0.000 0.375 300 F C -1.719 173.874 175.800 -0.344 0.000 1.257 300 F CA -0.319 57.402 58.000 -0.464 0.000 1.171 300 F CB 0.723 39.523 39.000 -0.333 0.000 1.588 300 F HN 0.259 nan 8.300 nan 0.000 0.604 301 Y N 2.498 122.553 120.300 -0.408 0.000 2.335 301 Y HA 0.615 5.165 4.550 0.001 0.000 0.338 301 Y C 0.482 176.201 175.900 -0.301 0.000 0.977 301 Y CA -0.754 57.197 58.100 -0.249 0.000 1.114 301 Y CB 2.027 40.368 38.460 -0.198 0.000 1.182 301 Y HN 0.524 nan 8.280 nan 0.000 0.463 302 T N -2.477 112.103 114.554 0.044 0.000 2.901 302 T HA 0.300 4.650 4.350 0.001 0.000 0.293 302 T C 0.716 175.424 174.700 0.013 0.000 1.084 302 T CA -0.690 61.421 62.100 0.018 0.000 1.008 302 T CB 1.555 70.485 68.868 0.105 0.000 1.170 302 T HN 0.463 nan 8.240 nan 0.000 0.509 303 T N 0.510 115.028 114.554 -0.059 0.000 2.788 303 T HA -0.077 4.274 4.350 0.001 0.000 0.268 303 T C 1.019 175.573 174.700 -0.243 0.000 1.044 303 T CA 1.280 63.252 62.100 -0.212 0.000 1.139 303 T CB -0.397 68.198 68.868 -0.456 0.000 0.867 303 T HN 0.709 nan 8.240 nan 0.000 0.454 304 H N -0.080 119.074 119.070 0.140 0.000 2.505 304 H HA 0.416 4.972 4.556 0.001 0.000 0.289 304 H C 0.501 175.901 175.328 0.118 0.000 1.052 304 H CA -0.390 55.755 56.048 0.163 0.000 1.156 304 H CB -0.364 29.476 29.762 0.129 0.000 1.507 304 H HN 0.160 nan 8.280 nan 0.000 0.548 305 V N 1.695 121.709 119.914 0.167 0.000 2.763 305 V HA -0.081 4.040 4.120 0.001 0.000 0.306 305 V C 0.525 176.668 176.094 0.081 0.000 1.059 305 V CA 0.652 63.031 62.300 0.131 0.000 1.138 305 V CB 0.589 32.486 31.823 0.123 0.000 0.940 305 V HN 0.686 nan 8.190 nan 0.000 0.489 306 S N 3.152 118.891 115.700 0.064 0.000 3.587 306 S HA -0.163 4.307 4.470 0.001 0.000 0.337 306 S C -0.145 174.473 174.600 0.030 0.000 1.119 306 S CA 1.022 59.240 58.200 0.030 0.000 0.976 306 S CB -1.376 61.825 63.200 0.002 0.000 0.922 306 S HN 0.974 nan 8.310 nan 0.000 0.503 307 D N 1.101 121.544 120.400 0.072 0.000 2.302 307 D HA 0.308 4.949 4.640 0.001 0.000 0.248 307 D C -0.812 175.514 176.300 0.044 0.000 1.094 307 D CA -1.891 52.160 54.000 0.084 0.000 0.897 307 D CB 0.866 41.796 40.800 0.216 0.000 1.200 307 D HN 0.097 nan 8.370 nan 0.000 0.429 308 P HA -0.109 nan 4.420 nan 0.000 0.215 308 P C 1.863 179.112 177.300 -0.084 0.000 1.157 308 P CA 0.590 63.688 63.100 -0.002 0.000 0.863 308 P CB 0.532 32.275 31.700 0.071 0.000 0.787 309 L N 0.194 121.418 121.223 0.002 0.000 1.970 309 L HA -0.097 4.244 4.340 0.001 0.000 0.212 309 L C -0.581 176.236 176.870 -0.089 0.000 1.071 309 L CA 2.750 57.570 54.840 -0.033 0.000 0.751 309 L CB -1.924 40.184 42.059 0.081 0.000 0.889 309 L HN 0.010 nan 8.230 nan 0.000 0.432 310 P HA -0.167 nan 4.420 nan 0.000 0.215 310 P C 1.369 178.629 177.300 -0.065 0.000 1.153 310 P CA 1.969 65.047 63.100 -0.037 0.000 0.853 310 P CB -0.174 31.520 31.700 -0.009 0.000 0.788 311 A N 0.266 123.040 122.820 -0.076 0.000 1.902 311 A HA -0.121 4.200 4.320 0.001 0.000 0.217 311 A C 2.392 179.883 177.584 -0.155 0.000 1.181 311 A CA 2.258 54.242 52.037 -0.088 0.000 0.623 311 A CB -1.632 17.325 19.000 -0.072 0.000 0.818 311 A HN 0.201 nan 8.150 nan 0.000 0.443 312 A N -0.589 122.049 122.820 -0.302 0.000 1.940 312 A HA -0.026 4.294 4.320 0.001 0.000 0.219 312 A C 2.235 179.685 177.584 -0.223 0.000 1.176 312 A CA 1.895 53.666 52.037 -0.443 0.000 0.631 312 A CB -0.890 17.382 19.000 -1.213 0.000 0.814 312 A HN 0.398 nan 8.150 nan 0.000 0.446 313 V N -0.209 119.611 119.914 -0.156 0.000 2.307 313 V HA -0.158 3.963 4.120 0.001 0.000 0.245 313 V C 2.855 178.914 176.094 -0.059 0.000 1.045 313 V CA 1.934 64.191 62.300 -0.072 0.000 1.024 313 V CB -1.513 30.285 31.823 -0.042 0.000 0.651 313 V HN 0.600 nan 8.190 nan 0.000 0.449 314 G N -0.134 108.632 108.800 -0.055 0.000 2.440 314 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 314 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 314 G C 1.591 176.470 174.900 -0.035 0.000 1.154 314 G CA 1.263 46.341 45.100 -0.036 0.000 0.767 314 G HN 0.412 nan 8.290 nan 0.000 0.552 315 L N 0.631 121.827 121.223 -0.046 0.000 2.017 315 L HA 0.030 4.370 4.340 0.001 0.000 0.208 315 L C 2.766 179.619 176.870 -0.028 0.000 1.073 315 L CA 2.200 57.021 54.840 -0.033 0.000 0.745 315 L CB -0.605 41.430 42.059 -0.040 0.000 0.894 315 L HN 0.213 nan 8.230 nan 0.000 0.432 316 R N -0.739 119.741 120.500 -0.033 0.000 2.091 316 R HA -0.137 4.204 4.340 0.001 0.000 0.238 316 R C 2.062 178.330 176.300 -0.053 0.000 1.136 316 R CA 2.084 58.169 56.100 -0.026 0.000 0.959 316 R CB -1.084 29.212 30.300 -0.008 0.000 0.856 316 R HN 0.325 nan 8.270 nan 0.000 0.437 317 V N 0.723 120.599 119.914 -0.063 0.000 2.332 317 V HA -0.251 3.869 4.120 0.001 0.000 0.248 317 V C 2.301 178.351 176.094 -0.074 0.000 1.055 317 V CA 2.029 64.277 62.300 -0.087 0.000 1.038 317 V CB -0.455 31.325 31.823 -0.073 0.000 0.651 317 V HN 0.308 nan 8.190 nan 0.000 0.450 318 L N -0.436 120.759 121.223 -0.046 0.000 2.093 318 L HA -0.157 4.183 4.340 0.001 0.000 0.208 318 L C 2.367 179.216 176.870 -0.035 0.000 1.085 318 L CA 1.429 56.248 54.840 -0.037 0.000 0.755 318 L CB -0.795 41.258 42.059 -0.009 0.000 0.904 318 L HN 0.314 nan 8.230 nan 0.000 0.435 319 D N -0.055 120.329 120.400 -0.027 0.000 2.104 319 D HA -0.153 4.487 4.640 0.001 0.000 0.194 319 D C 2.365 178.649 176.300 -0.026 0.000 0.994 319 D CA 1.212 55.201 54.000 -0.017 0.000 0.830 319 D CB -0.243 40.554 40.800 -0.004 0.000 0.959 319 D HN 0.087 nan 8.370 nan 0.000 0.452 320 V N 0.728 120.613 119.914 -0.048 0.000 2.295 320 V HA -0.208 3.912 4.120 0.001 0.000 0.246 320 V C 2.691 178.754 176.094 -0.052 0.000 1.049 320 V CA 1.049 63.314 62.300 -0.058 0.000 1.024 320 V CB -0.499 31.240 31.823 -0.140 0.000 0.648 320 V HN 0.053 nan 8.190 nan 0.000 0.447 321 V N -0.590 119.283 119.914 -0.068 0.000 2.332 321 V HA -0.342 3.779 4.120 0.001 0.000 0.248 321 V C 2.427 178.492 176.094 -0.049 0.000 1.055 321 V CA 2.192 64.452 62.300 -0.066 0.000 1.038 321 V CB -0.646 31.125 31.823 -0.087 0.000 0.651 321 V HN 0.573 nan 8.190 nan 0.000 0.450 322 Q N -0.699 119.077 119.800 -0.040 0.000 2.016 322 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 322 Q C 2.619 178.609 176.000 -0.016 0.000 0.978 322 Q CA 1.468 57.255 55.803 -0.027 0.000 0.833 322 Q CB -0.306 28.422 28.738 -0.017 0.000 0.895 322 Q HN 0.407 nan 8.270 nan 0.000 0.427 323 R N 0.907 121.401 120.500 -0.010 0.000 2.083 323 R HA -0.170 4.171 4.340 0.001 0.000 0.237 323 R C 0.539 176.842 176.300 0.004 0.000 1.137 323 R CA 1.751 57.852 56.100 0.001 0.000 0.951 323 R CB -0.164 30.140 30.300 0.008 0.000 0.851 323 R HN 0.269 nan 8.270 nan 0.000 0.434 324 D N -0.755 119.647 120.400 0.003 0.000 2.336 324 D HA 0.090 4.730 4.640 0.001 0.000 0.229 324 D C 0.731 177.031 176.300 0.000 0.000 1.061 324 D CA 0.887 54.892 54.000 0.010 0.000 0.875 324 D CB 0.083 40.899 40.800 0.027 0.000 0.904 324 D HN 0.531 nan 8.370 nan 0.000 0.525 325 G N 1.345 110.139 108.800 -0.009 0.000 2.249 325 G HA2 -0.325 3.636 3.960 0.001 0.000 0.273 325 G HA3 -0.325 3.636 3.960 0.001 0.000 0.273 325 G C 1.096 175.983 174.900 -0.021 0.000 1.036 325 G CA 0.379 45.470 45.100 -0.015 0.000 0.824 325 G HN 0.418 nan 8.290 nan 0.000 0.504 326 L N -0.907 120.298 121.223 -0.030 0.000 2.191 326 L HA -0.115 4.226 4.340 0.001 0.000 0.212 326 L C 2.870 179.709 176.870 -0.052 0.000 1.103 326 L CA 1.237 56.054 54.840 -0.038 0.000 0.769 326 L CB -0.550 41.483 42.059 -0.043 0.000 0.908 326 L HN 0.309 nan 8.230 nan 0.000 0.438 327 V N 0.168 120.046 119.914 -0.060 0.000 2.358 327 V HA -0.264 3.857 4.120 0.001 0.000 0.246 327 V C 2.791 178.856 176.094 -0.048 0.000 1.047 327 V CA 1.783 64.043 62.300 -0.068 0.000 1.035 327 V CB -0.876 30.900 31.823 -0.078 0.000 0.658 327 V HN 0.477 nan 8.190 nan 0.000 0.452 328 A N 0.268 123.066 122.820 -0.036 0.000 1.877 328 A HA -0.256 4.065 4.320 0.001 0.000 0.216 328 A C 2.359 179.928 177.584 -0.024 0.000 1.186 328 A CA 2.056 54.078 52.037 -0.025 0.000 0.620 328 A CB -0.586 18.404 19.000 -0.017 0.000 0.822 328 A HN 0.466 nan 8.150 nan 0.000 0.443 329 R N -0.208 120.278 120.500 -0.024 0.000 2.117 329 R HA -0.173 4.167 4.340 0.001 0.000 0.243 329 R C 2.197 178.479 176.300 -0.031 0.000 1.143 329 R CA 1.746 57.834 56.100 -0.021 0.000 0.968 329 R CB -0.501 29.787 30.300 -0.019 0.000 0.863 329 R HN 0.461 nan 8.270 nan 0.000 0.444 330 A N 0.772 123.568 122.820 -0.041 0.000 1.940 330 A HA -0.203 4.117 4.320 0.001 0.000 0.219 330 A C 1.765 179.324 177.584 -0.042 0.000 1.176 330 A CA 1.797 53.803 52.037 -0.050 0.000 0.631 330 A CB -0.600 18.364 19.000 -0.060 0.000 0.814 330 A HN 0.455 nan 8.150 nan 0.000 0.446 331 N N 0.002 118.683 118.700 -0.033 0.000 2.142 331 N HA -0.099 4.642 4.740 0.001 0.000 0.186 331 N C 1.794 177.292 175.510 -0.021 0.000 1.023 331 N CA 1.597 54.632 53.050 -0.025 0.000 0.852 331 N CB -0.387 38.088 38.487 -0.019 0.000 0.998 331 N HN 0.299 nan 8.380 nan 0.000 0.424 332 V N 2.013 121.916 119.914 -0.018 0.000 2.270 332 V HA -0.175 3.945 4.120 0.001 0.000 0.245 332 V C 2.452 178.538 176.094 -0.014 0.000 1.043 332 V CA 1.277 63.569 62.300 -0.012 0.000 1.014 332 V CB -0.344 31.474 31.823 -0.008 0.000 0.645 332 V HN 0.227 nan 8.190 nan 0.000 0.447 333 M N 0.501 120.089 119.600 -0.021 0.000 2.175 333 M HA -0.032 4.448 4.480 0.001 0.000 0.264 333 M C 2.339 178.618 176.300 -0.035 0.000 1.063 333 M CA 1.912 57.197 55.300 -0.024 0.000 1.119 333 M CB -1.886 30.694 32.600 -0.033 0.000 1.377 333 M HN 0.445 nan 8.290 nan 0.000 0.415 334 G N 0.148 108.922 108.800 -0.043 0.000 2.432 334 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 334 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 334 G C 1.222 176.103 174.900 -0.030 0.000 1.135 334 G CA 1.431 46.502 45.100 -0.048 0.000 0.767 334 G HN 0.529 nan 8.290 nan 0.000 0.550 335 D N -0.290 120.098 120.400 -0.020 0.000 2.123 335 D HA -0.071 4.570 4.640 0.001 0.000 0.200 335 D C 2.366 178.663 176.300 -0.005 0.000 0.976 335 D CA 0.749 54.742 54.000 -0.011 0.000 0.831 335 D CB -0.158 40.637 40.800 -0.007 0.000 0.974 335 D HN 0.229 nan 8.370 nan 0.000 0.469 336 R N 0.038 120.536 120.500 -0.004 0.000 2.083 336 R HA -0.107 4.233 4.340 0.001 0.000 0.237 336 R C 2.454 178.760 176.300 0.010 0.000 1.137 336 R CA 1.014 57.117 56.100 0.005 0.000 0.951 336 R CB -0.520 29.785 30.300 0.010 0.000 0.851 336 R HN 0.317 nan 8.270 nan 0.000 0.434 337 L N 0.668 121.893 121.223 0.002 0.000 2.017 337 L HA -0.219 4.122 4.340 0.001 0.000 0.208 337 L C 2.831 179.706 176.870 0.009 0.000 1.073 337 L CA 1.625 56.471 54.840 0.010 0.000 0.745 337 L CB -0.415 41.623 42.059 -0.034 0.000 0.894 337 L HN 0.298 nan 8.230 nan 0.000 0.432 338 R N -0.105 120.392 120.500 -0.005 0.000 2.083 338 R HA -0.225 4.116 4.340 0.001 0.000 0.237 338 R C 2.377 178.681 176.300 0.006 0.000 1.137 338 R CA 1.730 57.828 56.100 -0.002 0.000 0.951 338 R CB -0.183 30.112 30.300 -0.008 0.000 0.851 338 R HN 0.321 nan 8.270 nan 0.000 0.434 339 R N -0.697 119.806 120.500 0.006 0.000 2.091 339 R HA -0.094 4.246 4.340 0.001 0.000 0.238 339 R C 2.379 178.687 176.300 0.013 0.000 1.136 339 R CA 1.428 57.533 56.100 0.008 0.000 0.959 339 R CB -0.532 29.772 30.300 0.007 0.000 0.856 339 R HN 0.440 nan 8.270 nan 0.000 0.437 340 G N 0.887 109.698 108.800 0.020 0.000 2.422 340 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 340 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 340 G C 1.401 176.321 174.900 0.033 0.000 1.146 340 G CA 0.494 45.611 45.100 0.028 0.000 0.769 340 G HN 0.148 nan 8.290 nan 0.000 0.547 341 L N -0.196 121.047 121.223 0.033 0.000 2.141 341 L HA 0.065 4.405 4.340 0.001 0.000 0.209 341 L C 2.804 179.694 176.870 0.033 0.000 1.094 341 L CA 0.340 55.203 54.840 0.037 0.000 0.763 341 L CB -0.348 41.729 42.059 0.030 0.000 0.908 341 L HN 0.164 nan 8.230 nan 0.000 0.437 342 L N -0.497 120.738 121.223 0.020 0.000 2.141 342 L HA -0.189 4.152 4.340 0.001 0.000 0.209 342 L C 2.146 179.024 176.870 0.013 0.000 1.094 342 L CA 0.885 55.734 54.840 0.015 0.000 0.763 342 L CB -0.542 41.522 42.059 0.008 0.000 0.908 342 L HN 0.256 nan 8.230 nan 0.000 0.437 343 D N 0.120 120.526 120.400 0.010 0.000 2.144 343 D HA -0.133 4.508 4.640 0.001 0.000 0.200 343 D C 2.403 178.699 176.300 -0.007 0.000 0.978 343 D CA 1.089 55.086 54.000 -0.005 0.000 0.833 343 D CB -0.114 40.682 40.800 -0.008 0.000 0.961 343 D HN 0.267 nan 8.370 nan 0.000 0.470 344 L N 0.383 121.627 121.223 0.035 0.000 2.046 344 L HA -0.125 4.215 4.340 0.001 0.000 0.208 344 L C 2.546 179.478 176.870 0.104 0.000 1.077 344 L CA 0.824 55.722 54.840 0.097 0.000 0.747 344 L CB -0.344 41.818 42.059 0.171 0.000 0.896 344 L HN 0.048 nan 8.230 nan 0.000 0.432 345 M N -0.515 119.131 119.600 0.077 0.000 2.358 345 M HA -0.216 4.264 4.480 0.001 0.000 0.264 345 M C 2.012 178.327 176.300 0.025 0.000 1.064 345 M CA 1.611 56.954 55.300 0.072 0.000 1.093 345 M CB -0.019 32.609 32.600 0.047 0.000 1.401 345 M HN 0.199 nan 8.290 nan 0.000 0.440 346 E N -0.054 120.134 120.200 -0.020 0.000 2.072 346 E HA -0.159 4.192 4.350 0.001 0.000 0.190 346 E C 2.047 178.577 176.600 -0.116 0.000 0.982 346 E CA 0.892 57.261 56.400 -0.051 0.000 0.803 346 E CB 0.157 29.824 29.700 -0.055 0.000 0.755 346 E HN 0.572 nan 8.360 nan 0.000 0.453 347 R N 0.045 120.409 120.500 -0.227 0.000 2.062 347 R HA -0.024 4.317 4.340 0.001 0.000 0.229 347 R C 0.589 176.526 176.300 -0.605 0.000 1.128 347 R CA 0.830 56.616 56.100 -0.524 0.000 0.960 347 R CB -0.633 29.182 30.300 -0.807 0.000 0.855 347 R HN 0.029 nan 8.270 nan 0.000 0.432 348 F N 1.875 121.830 119.950 0.008 0.000 2.444 348 F HA 0.255 4.782 4.527 0.001 0.000 0.342 348 F C 0.883 176.695 175.800 0.019 0.000 1.121 348 F CA -1.289 56.719 58.000 0.013 0.000 0.997 348 F CB 1.366 40.375 39.000 0.014 0.000 1.130 348 F HN -0.185 nan 8.300 nan 0.000 0.454 349 D N 0.939 121.466 120.400 0.212 0.000 2.309 349 D HA -0.143 4.497 4.640 0.001 0.000 0.212 349 D C 2.135 178.511 176.300 0.126 0.000 0.968 349 D CA 0.968 55.047 54.000 0.131 0.000 0.882 349 D CB -0.373 40.482 40.800 0.092 0.000 0.918 349 D HN 0.633 nan 8.370 nan 0.000 0.503 350 C N -0.096 119.291 119.300 0.145 0.000 2.500 350 C HA 0.224 4.684 4.460 0.001 0.000 0.273 350 C C 1.259 176.311 174.990 0.103 0.000 1.428 350 C CA -0.797 58.281 59.018 0.100 0.000 1.766 350 C CB -1.347 26.429 27.740 0.060 0.000 1.817 350 C HN 0.042 nan 8.230 nan 0.000 0.543 351 I N 2.544 123.189 120.570 0.125 0.000 2.308 351 I HA 0.285 4.456 4.170 0.001 0.000 0.293 351 I C 1.565 177.727 176.117 0.075 0.000 1.078 351 I CA 0.348 61.709 61.300 0.103 0.000 1.292 351 I CB 0.817 38.887 38.000 0.117 0.000 1.423 351 I HN 0.413 nan 8.210 nan 0.000 0.493 352 G N 4.227 113.063 108.800 0.059 0.000 2.539 352 G HA2 -0.026 3.934 3.960 0.001 0.000 0.215 352 G HA3 -0.026 3.934 3.960 0.001 0.000 0.215 352 G C 0.061 174.878 174.900 -0.139 0.000 1.141 352 G CA 0.374 45.516 45.100 0.070 0.000 0.806 352 G HN 0.573 nan 8.290 nan 0.000 0.533 353 D N -1.494 118.750 120.400 -0.261 0.000 2.706 353 D HA 0.399 5.040 4.640 0.001 0.000 0.225 353 D C -1.408 174.778 176.300 -0.191 0.000 1.241 353 D CA -0.370 53.392 54.000 -0.396 0.000 0.784 353 D CB 2.050 42.246 40.800 -1.007 0.000 1.521 353 D HN -0.109 nan 8.370 nan 0.000 0.461 354 V N 3.792 123.631 119.914 -0.125 0.000 2.443 354 V HA 0.670 4.790 4.120 0.001 0.000 0.293 354 V C -0.024 176.039 176.094 -0.053 0.000 1.021 354 V CA -0.583 61.684 62.300 -0.055 0.000 0.848 354 V CB 1.310 33.121 31.823 -0.021 0.000 0.998 354 V HN 0.613 nan 8.190 nan 0.000 0.424 355 R N 3.220 123.696 120.500 -0.040 0.000 2.885 355 R HA 0.994 5.334 4.340 0.001 0.000 0.260 355 R C 0.083 176.370 176.300 -0.021 0.000 1.107 355 R CA -0.339 55.746 56.100 -0.024 0.000 0.978 355 R CB 2.117 32.411 30.300 -0.010 0.000 1.227 355 R HN 1.177 nan 8.270 nan 0.000 0.473 356 G N 0.114 108.903 108.800 -0.018 0.000 2.362 356 G HA2 0.075 4.036 3.960 0.001 0.000 0.517 356 G HA3 0.075 4.036 3.960 0.001 0.000 0.517 356 G C -1.605 173.283 174.900 -0.021 0.000 1.256 356 G CA -0.433 44.652 45.100 -0.025 0.000 1.027 356 G HN 0.758 nan 8.290 nan 0.000 0.491 357 R N -0.815 119.670 120.500 -0.026 0.000 2.604 357 R HA 0.595 4.935 4.340 0.001 0.000 0.270 357 R C 0.978 177.259 176.300 -0.033 0.000 1.052 357 R CA 1.090 57.177 56.100 -0.023 0.000 0.902 357 R CB 1.308 31.599 30.300 -0.014 0.000 1.233 357 R HN 2.739 nan 8.270 nan 0.000 0.455 358 G N 2.448 111.228 108.800 -0.033 0.000 2.622 358 G HA2 -0.342 3.618 3.960 0.001 0.000 0.307 358 G HA3 -0.342 3.618 3.960 0.001 0.000 0.307 358 G C 0.072 174.935 174.900 -0.061 0.000 1.226 358 G CA 0.390 45.464 45.100 -0.044 0.000 0.997 358 G HN 0.496 nan 8.290 nan 0.000 0.551 359 L N 0.141 121.319 121.223 -0.076 0.000 2.912 359 L HA 0.493 4.833 4.340 0.001 0.000 0.240 359 L C 0.112 176.916 176.870 -0.109 0.000 1.262 359 L CA -0.179 54.596 54.840 -0.107 0.000 1.058 359 L CB 0.280 42.265 42.059 -0.123 0.000 1.383 359 L HN 0.342 nan 8.230 nan 0.000 0.512 360 L N 1.144 122.319 121.223 -0.080 0.000 2.417 360 L HA 0.520 4.861 4.340 0.001 0.000 0.259 360 L C -1.103 175.733 176.870 -0.057 0.000 1.023 360 L CA -0.186 54.614 54.840 -0.067 0.000 0.901 360 L CB 0.984 43.014 42.059 -0.047 0.000 1.227 360 L HN -0.117 nan 8.230 nan 0.000 0.454 361 L N 2.841 124.027 121.223 -0.062 0.000 2.341 361 L HA 0.943 5.284 4.340 0.001 0.000 0.267 361 L C 0.357 177.216 176.870 -0.018 0.000 1.009 361 L CA -0.571 54.244 54.840 -0.041 0.000 0.819 361 L CB 1.998 44.028 42.059 -0.048 0.000 1.323 361 L HN 0.564 nan 8.230 nan 0.000 0.425 362 G N 0.839 109.635 108.800 -0.007 0.000 2.542 362 G HA2 0.629 4.589 3.960 0.001 0.000 0.311 362 G HA3 0.629 4.589 3.960 0.001 0.000 0.311 362 G C -1.813 173.106 174.900 0.032 0.000 1.298 362 G CA -0.381 44.729 45.100 0.016 0.000 0.973 362 G HN 0.283 nan 8.290 nan 0.000 0.487 363 V N 1.454 121.423 119.914 0.093 0.000 2.376 363 V HA 0.348 4.468 4.120 0.001 0.000 0.287 363 V C -0.125 176.032 176.094 0.105 0.000 1.015 363 V CA -0.746 61.619 62.300 0.108 0.000 0.834 363 V CB 1.380 33.312 31.823 0.182 0.000 1.001 363 V HN 0.866 nan 8.190 nan 0.000 0.428 364 E N 5.052 125.262 120.200 0.015 0.000 2.167 364 E HA 0.365 4.715 4.350 0.001 0.000 0.284 364 E C -0.728 175.904 176.600 0.054 0.000 1.016 364 E CA -0.690 55.722 56.400 0.020 0.000 0.817 364 E CB 0.807 30.510 29.700 0.006 0.000 1.080 364 E HN 0.470 nan 8.360 nan 0.000 0.397 365 I N 5.954 126.558 120.570 0.057 0.000 2.371 365 I HA 0.150 4.321 4.170 0.001 0.000 0.290 365 I C 0.285 176.443 176.117 0.067 0.000 1.028 365 I CA -0.366 60.977 61.300 0.070 0.000 1.345 365 I CB 0.449 38.480 38.000 0.051 0.000 1.407 365 I HN 0.342 nan 8.210 nan 0.000 0.501 366 V N 3.680 123.642 119.914 0.081 0.000 3.040 366 V HA 0.563 4.683 4.120 0.001 0.000 0.312 366 V C 0.815 176.944 176.094 0.059 0.000 1.115 366 V CA -0.975 61.372 62.300 0.079 0.000 0.998 366 V CB 2.048 33.941 31.823 0.116 0.000 1.042 366 V HN 0.597 nan 8.190 nan 0.000 0.433 367 K N 0.550 120.976 120.400 0.044 0.000 1.991 367 K HA 0.015 4.336 4.320 0.001 0.000 0.212 367 K C 0.462 177.086 176.600 0.040 0.000 1.049 367 K CA 2.248 58.555 56.287 0.033 0.000 0.932 367 K CB -0.047 32.466 32.500 0.021 0.000 0.717 367 K HN 0.942 nan 8.250 nan 0.000 0.441 368 D N -2.359 118.066 120.400 0.041 0.000 2.947 368 D HA 0.187 4.828 4.640 0.001 0.000 0.224 368 D C 0.034 176.364 176.300 0.050 0.000 1.230 368 D CA -0.356 53.669 54.000 0.043 0.000 0.871 368 D CB 1.410 42.228 40.800 0.030 0.000 1.671 368 D HN -0.089 nan 8.370 nan 0.000 0.507 369 R N 0.919 121.455 120.500 0.061 0.000 2.133 369 R HA -0.164 4.177 4.340 0.001 0.000 0.247 369 R C 1.796 178.125 176.300 0.047 0.000 1.151 369 R CA 1.568 57.712 56.100 0.072 0.000 0.971 369 R CB 0.225 30.569 30.300 0.074 0.000 0.866 369 R HN 0.332 nan 8.270 nan 0.000 0.447 370 R N -0.815 119.699 120.500 0.023 0.000 2.052 370 R HA 0.004 4.345 4.340 0.001 0.000 0.224 370 R C 2.298 178.584 176.300 -0.023 0.000 1.149 370 R CA 1.648 57.748 56.100 0.000 0.000 0.962 370 R CB -0.440 29.858 30.300 -0.003 0.000 0.856 370 R HN 0.172 nan 8.270 nan 0.000 0.433 371 T N 1.149 115.693 114.554 -0.017 0.000 2.822 371 T HA -0.129 4.222 4.350 0.001 0.000 0.270 371 T C 0.666 175.337 174.700 -0.049 0.000 1.064 371 T CA 1.179 63.261 62.100 -0.030 0.000 1.131 371 T CB -0.162 68.697 68.868 -0.016 0.000 0.858 371 T HN 0.297 nan 8.240 nan 0.000 0.483 372 K N 0.467 120.848 120.400 -0.031 0.000 3.130 372 K HA -0.166 4.154 4.320 0.001 0.000 0.282 372 K C -0.012 176.576 176.600 -0.020 0.000 1.145 372 K CA 0.419 56.683 56.287 -0.038 0.000 0.831 372 K CB -1.116 31.271 32.500 -0.187 0.000 1.226 372 K HN 0.527 nan 8.250 nan 0.000 0.478 373 E N 1.283 121.480 120.200 -0.006 0.000 2.384 373 E HA 0.048 4.398 4.350 0.001 0.000 0.266 373 E C -2.355 174.257 176.600 0.021 0.000 1.012 373 E CA -1.772 54.628 56.400 0.000 0.000 0.901 373 E CB 0.686 30.386 29.700 -0.000 0.000 0.967 373 E HN -0.045 nan 8.360 nan 0.000 0.435 374 P HA 0.011 nan 4.420 nan 0.000 0.271 374 P C -1.258 176.052 177.300 0.017 0.000 1.216 374 P CA -0.008 63.109 63.100 0.028 0.000 0.776 374 P CB 0.739 32.452 31.700 0.021 0.000 0.881 375 A N 3.291 126.120 122.820 0.016 0.000 2.396 375 A HA 0.164 4.484 4.320 0.001 0.000 0.279 375 A C -0.038 177.543 177.584 -0.006 0.000 1.165 375 A CA -0.238 51.803 52.037 0.008 0.000 0.824 375 A CB -0.431 18.576 19.000 0.012 0.000 1.100 375 A HN 0.422 nan 8.150 nan 0.000 0.516 376 D N 2.652 123.049 120.400 -0.005 0.000 2.411 376 D HA 0.411 5.051 4.640 0.001 0.000 0.225 376 D C 1.211 177.503 176.300 -0.014 0.000 1.156 376 D CA 1.138 55.131 54.000 -0.011 0.000 0.874 376 D CB 0.943 41.738 40.800 -0.008 0.000 1.034 376 D HN 0.954 nan 8.370 nan 0.000 0.502 377 G N 1.714 110.501 108.800 -0.021 0.000 2.234 377 G HA2 -0.334 3.627 3.960 0.001 0.000 0.235 377 G HA3 -0.334 3.627 3.960 0.001 0.000 0.235 377 G C 0.962 175.852 174.900 -0.017 0.000 0.997 377 G CA 0.234 45.322 45.100 -0.021 0.000 0.623 377 G HN 0.483 nan 8.290 nan 0.000 0.514 378 L N 1.946 123.161 121.223 -0.012 0.000 2.056 378 L HA 0.323 4.664 4.340 0.001 0.000 0.207 378 L C 2.762 179.640 176.870 0.014 0.000 1.078 378 L CA 3.243 58.081 54.840 -0.002 0.000 0.749 378 L CB -0.976 41.084 42.059 0.002 0.000 0.901 378 L HN 0.405 nan 8.230 nan 0.000 0.433 379 G N -0.951 107.841 108.800 -0.014 0.000 2.440 379 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 379 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 379 G C 1.611 176.516 174.900 0.008 0.000 1.154 379 G CA 0.899 45.973 45.100 -0.044 0.000 0.767 379 G HN 0.629 nan 8.290 nan 0.000 0.552 380 A N 0.586 123.391 122.820 -0.025 0.000 1.933 380 A HA -0.004 4.317 4.320 0.001 0.000 0.218 380 A C 2.335 179.932 177.584 0.023 0.000 1.175 380 A CA 1.927 53.960 52.037 -0.007 0.000 0.628 380 A CB -0.295 18.690 19.000 -0.025 0.000 0.814 380 A HN 0.377 nan 8.150 nan 0.000 0.444 381 K N -0.464 119.947 120.400 0.019 0.000 2.001 381 K HA -0.059 4.261 4.320 0.001 0.000 0.208 381 K C 1.873 178.491 176.600 0.029 0.000 1.048 381 K CA 1.513 57.808 56.287 0.013 0.000 0.932 381 K CB -0.445 32.054 32.500 -0.002 0.000 0.715 381 K HN 0.527 nan 8.250 nan 0.000 0.437 382 I N 1.297 121.906 120.570 0.064 0.000 2.151 382 I HA -0.314 3.857 4.170 0.001 0.000 0.243 382 I C 2.306 178.483 176.117 0.099 0.000 1.080 382 I CA 1.488 62.835 61.300 0.078 0.000 1.339 382 I CB -0.673 37.421 38.000 0.156 0.000 1.039 382 I HN 0.197 nan 8.210 nan 0.000 0.409 383 T N 0.297 114.978 114.554 0.211 0.000 2.720 383 T HA -0.250 4.101 4.350 0.001 0.000 0.268 383 T C 2.001 176.743 174.700 0.071 0.000 1.037 383 T CA 1.510 63.725 62.100 0.192 0.000 1.144 383 T CB -0.353 68.641 68.868 0.210 0.000 0.864 383 T HN 0.348 nan 8.240 nan 0.000 0.444 384 R N 0.971 121.498 120.500 0.045 0.000 2.073 384 R HA -0.129 4.211 4.340 0.001 0.000 0.234 384 R C 2.224 178.522 176.300 -0.002 0.000 1.134 384 R CA 1.460 57.569 56.100 0.015 0.000 0.952 384 R CB -0.122 30.181 30.300 0.005 0.000 0.850 384 R HN 0.326 nan 8.270 nan 0.000 0.433 385 E N 0.359 120.552 120.200 -0.012 0.000 2.110 385 E HA -0.184 4.167 4.350 0.001 0.000 0.193 385 E C 2.195 178.768 176.600 -0.045 0.000 0.988 385 E CA 1.131 57.513 56.400 -0.031 0.000 0.804 385 E CB -0.542 29.132 29.700 -0.043 0.000 0.745 385 E HN 0.433 nan 8.360 nan 0.000 0.458 386 C N 0.758 120.025 119.300 -0.054 0.000 2.413 386 C HA -0.137 4.324 4.460 0.001 0.000 0.276 386 C C 2.806 177.760 174.990 -0.060 0.000 1.236 386 C CA 0.958 59.926 59.018 -0.084 0.000 1.735 386 C CB -0.811 26.866 27.740 -0.106 0.000 2.031 386 C HN 0.380 nan 8.230 nan 0.000 0.474 387 M N 1.772 121.355 119.600 -0.028 0.000 2.080 387 M HA -0.112 4.369 4.480 0.001 0.000 0.260 387 M C 1.819 178.109 176.300 -0.018 0.000 1.068 387 M CA 1.716 57.007 55.300 -0.014 0.000 1.109 387 M CB -0.864 31.741 32.600 0.008 0.000 1.342 387 M HN 0.327 nan 8.290 nan 0.000 0.405 388 N N 0.016 118.705 118.700 -0.019 0.000 2.149 388 N HA -0.125 4.616 4.740 0.001 0.000 0.188 388 N C 1.634 177.130 175.510 -0.023 0.000 1.019 388 N CA 1.474 54.513 53.050 -0.018 0.000 0.857 388 N CB -0.507 37.968 38.487 -0.019 0.000 0.997 388 N HN 0.424 nan 8.380 nan 0.000 0.426 389 L N -0.756 120.446 121.223 -0.035 0.000 2.492 389 L HA 0.135 4.475 4.340 0.001 0.000 0.223 389 L C 1.078 177.924 176.870 -0.041 0.000 1.132 389 L CA 0.396 55.211 54.840 -0.041 0.000 0.850 389 L CB -0.163 41.862 42.059 -0.057 0.000 0.966 389 L HN 0.247 nan 8.230 nan 0.000 0.454 390 G N 0.925 109.701 108.800 -0.040 0.000 2.131 390 G HA2 -0.229 3.732 3.960 0.001 0.000 0.201 390 G HA3 -0.229 3.732 3.960 0.001 0.000 0.201 390 G C -0.490 174.373 174.900 -0.062 0.000 1.000 390 G CA -0.128 44.952 45.100 -0.033 0.000 0.680 390 G HN 0.131 nan 8.290 nan 0.000 0.514 391 L N 1.322 122.485 121.223 -0.100 0.000 2.342 391 L HA 0.833 5.173 4.340 0.001 0.000 0.276 391 L C 0.285 177.094 176.870 -0.102 0.000 0.997 391 L CA -0.563 54.175 54.840 -0.170 0.000 0.838 391 L CB 1.877 43.771 42.059 -0.275 0.000 1.224 391 L HN 0.240 nan 8.230 nan 0.000 0.416 392 S N 6.694 122.358 115.700 -0.060 0.000 2.448 392 S HA 0.631 5.101 4.470 0.001 0.000 0.279 392 S C -0.146 174.489 174.600 0.058 0.000 1.195 392 S CA -0.554 57.653 58.200 0.013 0.000 1.051 392 S CB -0.084 63.139 63.200 0.037 0.000 0.948 392 S HN 0.631 nan 8.310 nan 0.000 0.493 393 M N 4.184 123.829 119.600 0.074 0.000 2.761 393 M HA 0.454 4.935 4.480 0.001 0.000 0.305 393 M C -0.307 176.097 176.300 0.174 0.000 1.235 393 M CA -0.700 54.684 55.300 0.140 0.000 0.850 393 M CB 1.860 34.529 32.600 0.115 0.000 1.744 393 M HN 0.708 nan 8.290 nan 0.000 0.480 394 N N 1.226 120.057 118.700 0.217 0.000 2.352 394 N HA 0.548 5.288 4.740 0.001 0.000 0.291 394 N C -2.161 173.416 175.510 0.111 0.000 1.040 394 N CA -0.281 52.846 53.050 0.129 0.000 0.864 394 N CB 2.556 41.082 38.487 0.065 0.000 1.440 394 N HN 0.753 nan 8.380 nan 0.000 0.483 395 I N 3.475 124.025 120.570 -0.034 0.000 2.603 395 I HA 0.477 4.647 4.170 0.001 0.000 0.300 395 I C -0.857 175.142 176.117 -0.196 0.000 1.017 395 I CA -0.836 60.309 61.300 -0.259 0.000 1.098 395 I CB 1.862 39.495 38.000 -0.611 0.000 1.279 395 I HN 0.366 nan 8.210 nan 0.000 0.437 396 V N 3.909 123.700 119.914 -0.204 0.000 2.604 396 V HA 0.597 4.718 4.120 0.001 0.000 0.305 396 V C -1.051 174.956 176.094 -0.145 0.000 1.043 396 V CA -0.488 61.719 62.300 -0.155 0.000 0.888 396 V CB 1.654 33.393 31.823 -0.139 0.000 0.995 396 V HN 0.894 nan 8.190 nan 0.000 0.429 397 Q N 3.729 123.462 119.800 -0.112 0.000 2.333 397 Q HA 0.677 5.018 4.340 0.001 0.000 0.268 397 Q C -1.592 174.378 176.000 -0.051 0.000 1.007 397 Q CA -0.652 55.101 55.803 -0.083 0.000 0.810 397 Q CB 1.840 30.531 28.738 -0.079 0.000 1.264 397 Q HN 0.827 nan 8.270 nan 0.000 0.452 398 L N 4.722 125.927 121.223 -0.031 0.000 2.342 398 L HA 0.630 4.970 4.340 0.001 0.000 0.271 398 L C -2.217 174.661 176.870 0.014 0.000 1.008 398 L CA -2.236 52.599 54.840 -0.008 0.000 0.818 398 L CB 1.208 43.260 42.059 -0.011 0.000 1.296 398 L HN 0.633 nan 8.230 nan 0.000 0.427 399 P HA 0.125 nan 4.420 nan 0.000 0.265 399 P C 0.750 178.078 177.300 0.047 0.000 1.193 399 P CA 0.483 63.602 63.100 0.032 0.000 0.765 399 P CB 0.576 32.299 31.700 0.038 0.000 0.823 400 G N 1.399 110.224 108.800 0.043 0.000 2.153 400 G HA2 -0.257 3.704 3.960 0.001 0.000 0.252 400 G HA3 -0.257 3.704 3.960 0.001 0.000 0.252 400 G C -0.013 174.935 174.900 0.079 0.000 0.994 400 G CA 0.181 45.311 45.100 0.051 0.000 0.698 400 G HN 0.532 nan 8.290 nan 0.000 0.521 401 M N -0.705 118.946 119.600 0.085 0.000 2.631 401 M HA 0.565 5.046 4.480 0.001 0.000 0.288 401 M C 0.801 177.155 176.300 0.089 0.000 1.260 401 M CA -0.223 55.158 55.300 0.136 0.000 0.842 401 M CB 2.098 34.785 32.600 0.145 0.000 1.743 401 M HN 0.240 nan 8.290 nan 0.000 0.461 402 G N 0.013 108.884 108.800 0.118 0.000 2.599 402 G HA2 0.518 4.478 3.960 0.001 0.000 0.264 402 G HA3 0.518 4.478 3.960 0.001 0.000 0.264 402 G C 0.000 174.906 174.900 0.010 0.000 1.200 402 G CA -0.472 44.666 45.100 0.065 0.000 0.896 402 G HN 0.829 nan 8.290 nan 0.000 0.536 403 G N -1.617 107.149 108.800 -0.056 0.000 2.491 403 G HA2 0.423 4.383 3.960 0.001 0.000 0.238 403 G HA3 0.423 4.383 3.960 0.001 0.000 0.238 403 G C -0.533 174.252 174.900 -0.191 0.000 1.277 403 G CA -0.099 44.911 45.100 -0.149 0.000 0.851 403 G HN 0.677 nan 8.290 nan 0.000 0.573 404 V N 2.469 122.250 119.914 -0.221 0.000 2.487 404 V HA 0.343 4.463 4.120 0.001 0.000 0.298 404 V C -0.689 175.267 176.094 -0.230 0.000 1.028 404 V CA -0.790 61.407 62.300 -0.171 0.000 0.860 404 V CB 1.430 33.204 31.823 -0.081 0.000 0.991 404 V HN 0.563 nan 8.190 nan 0.000 0.427 405 F N 3.891 123.830 119.950 -0.018 0.000 2.438 405 F HA 0.452 4.979 4.527 0.001 0.000 0.356 405 F C 1.120 176.907 175.800 -0.022 0.000 1.099 405 F CA -0.217 57.775 58.000 -0.013 0.000 1.185 405 F CB 0.692 39.694 39.000 0.003 0.000 1.115 405 F HN 0.287 nan 8.300 nan 0.000 0.526 406 R N 5.192 125.790 120.500 0.163 0.000 2.198 406 R HA 0.484 4.825 4.340 0.001 0.000 0.339 406 R C -0.865 175.476 176.300 0.069 0.000 1.020 406 R CA -0.425 55.714 56.100 0.065 0.000 0.864 406 R CB 0.871 31.173 30.300 0.003 0.000 1.105 406 R HN 0.579 nan 8.270 nan 0.000 0.463 407 I N 2.112 122.696 120.570 0.023 0.000 2.354 407 I HA 0.401 4.572 4.170 0.001 0.000 0.292 407 I C 0.070 176.099 176.117 -0.147 0.000 0.989 407 I CA -0.420 60.851 61.300 -0.049 0.000 1.188 407 I CB 1.848 39.811 38.000 -0.062 0.000 1.342 407 I HN 0.629 nan 8.210 nan 0.000 0.457 408 A N 7.982 130.680 122.820 -0.204 0.000 2.969 408 A HA 0.580 4.901 4.320 0.001 0.000 0.303 408 A C -2.844 174.587 177.584 -0.255 0.000 1.198 408 A CA -1.097 50.816 52.037 -0.207 0.000 0.819 408 A CB 0.252 19.185 19.000 -0.112 0.000 1.385 408 A HN 0.320 nan 8.150 nan 0.000 0.479 409 P HA 0.430 nan 4.420 nan 0.000 0.274 409 P C -2.754 174.426 177.300 -0.199 0.000 1.256 409 P CA -1.402 61.483 63.100 -0.359 0.000 0.795 409 P CB -0.104 31.267 31.700 -0.548 0.000 1.038 410 P HA 0.122 nan 4.420 nan 0.000 0.269 410 P C 0.966 178.214 177.300 -0.088 0.000 1.215 410 P CA 0.146 63.185 63.100 -0.102 0.000 0.780 410 P CB 0.267 31.924 31.700 -0.073 0.000 0.898 411 L N 1.006 122.186 121.223 -0.073 0.000 2.275 411 L HA -0.108 4.233 4.340 0.001 0.000 0.215 411 L C 1.772 178.622 176.870 -0.033 0.000 1.119 411 L CA 1.716 56.519 54.840 -0.061 0.000 0.790 411 L CB -1.177 40.844 42.059 -0.063 0.000 0.919 411 L HN 0.479 nan 8.230 nan 0.000 0.443 412 T N -3.452 111.095 114.554 -0.011 0.000 3.129 412 T HA 0.084 4.434 4.350 0.001 0.000 0.251 412 T C 0.726 175.439 174.700 0.021 0.000 1.117 412 T CA -0.261 61.854 62.100 0.025 0.000 1.034 412 T CB -0.325 68.588 68.868 0.075 0.000 0.968 412 T HN 0.032 nan 8.240 nan 0.000 0.526 413 V N 3.813 123.722 119.914 -0.007 0.000 2.694 413 V HA 0.304 4.424 4.120 0.001 0.000 0.306 413 V C 0.668 176.775 176.094 0.022 0.000 1.054 413 V CA -0.133 62.166 62.300 -0.001 0.000 1.161 413 V CB 0.478 32.278 31.823 -0.039 0.000 0.916 413 V HN 0.786 nan 8.190 nan 0.000 0.490 414 S N 4.153 119.881 115.700 0.048 0.000 2.652 414 S HA 0.361 4.832 4.470 0.001 0.000 0.270 414 S C 0.853 175.487 174.600 0.055 0.000 1.243 414 S CA -0.037 58.196 58.200 0.055 0.000 0.999 414 S CB 1.257 64.503 63.200 0.076 0.000 0.973 414 S HN 0.800 nan 8.310 nan 0.000 0.544 415 E N 0.764 120.992 120.200 0.047 0.000 2.085 415 E HA -0.190 4.161 4.350 0.001 0.000 0.194 415 E C 1.217 177.851 176.600 0.057 0.000 0.994 415 E CA 1.688 58.114 56.400 0.044 0.000 0.801 415 E CB -0.209 29.511 29.700 0.035 0.000 0.743 415 E HN 0.672 nan 8.360 nan 0.000 0.453 416 D N 0.806 121.245 120.400 0.065 0.000 2.117 416 D HA -0.154 4.486 4.640 0.001 0.000 0.197 416 D C 1.808 178.163 176.300 0.091 0.000 0.987 416 D CA 1.067 55.111 54.000 0.074 0.000 0.829 416 D CB -0.163 40.685 40.800 0.080 0.000 0.961 416 D HN 0.284 nan 8.370 nan 0.000 0.460 417 E N 0.282 120.548 120.200 0.110 0.000 2.110 417 E HA -0.136 4.214 4.350 0.001 0.000 0.193 417 E C 2.176 178.856 176.600 0.133 0.000 0.988 417 E CA 0.377 56.844 56.400 0.111 0.000 0.804 417 E CB 0.109 29.857 29.700 0.080 0.000 0.745 417 E HN 0.191 nan 8.360 nan 0.000 0.458 418 I N 1.874 122.532 120.570 0.147 0.000 2.226 418 I HA -0.228 3.942 4.170 0.001 0.000 0.245 418 I C 1.695 177.895 176.117 0.138 0.000 1.100 418 I CA 1.429 62.847 61.300 0.196 0.000 1.374 418 I CB -0.945 37.119 38.000 0.107 0.000 1.057 418 I HN 0.076 nan 8.210 nan 0.000 0.413 419 D N 0.398 120.846 120.400 0.080 0.000 2.097 419 D HA -0.155 4.485 4.640 0.001 0.000 0.197 419 D C 2.165 178.477 176.300 0.020 0.000 0.984 419 D CA 0.812 54.841 54.000 0.048 0.000 0.826 419 D CB -0.388 40.435 40.800 0.040 0.000 0.973 419 D HN 0.177 nan 8.370 nan 0.000 0.460 420 L N 1.061 122.293 121.223 0.016 0.000 2.012 420 L HA -0.047 4.294 4.340 0.001 0.000 0.210 420 L C 2.156 178.957 176.870 -0.115 0.000 1.073 420 L CA 2.299 57.129 54.840 -0.018 0.000 0.748 420 L CB -1.015 41.061 42.059 0.029 0.000 0.891 420 L HN 0.064 nan 8.230 nan 0.000 0.431 421 G N -0.543 108.131 108.800 -0.210 0.000 2.418 421 G HA2 -0.227 3.733 3.960 0.001 0.000 0.217 421 G HA3 -0.227 3.733 3.960 0.001 0.000 0.217 421 G C 1.640 176.385 174.900 -0.258 0.000 1.158 421 G CA 1.004 45.794 45.100 -0.516 0.000 0.771 421 G HN 0.441 nan 8.290 nan 0.000 0.545 422 L N 0.661 121.848 121.223 -0.061 0.000 2.083 422 L HA -0.106 4.234 4.340 0.001 0.000 0.209 422 L C 3.148 180.001 176.870 -0.029 0.000 1.083 422 L CA 1.328 56.164 54.840 -0.007 0.000 0.752 422 L CB -0.349 41.734 42.059 0.039 0.000 0.899 422 L HN 0.387 nan 8.230 nan 0.000 0.433 423 S N 0.226 115.904 115.700 -0.036 0.000 2.343 423 S HA -0.164 4.307 4.470 0.001 0.000 0.219 423 S C 2.014 176.586 174.600 -0.047 0.000 1.033 423 S CA 1.224 59.409 58.200 -0.025 0.000 1.014 423 S CB -0.287 62.902 63.200 -0.019 0.000 0.915 423 S HN 0.321 nan 8.310 nan 0.000 0.435 424 L N 1.193 122.362 121.223 -0.091 0.000 2.079 424 L HA -0.104 4.237 4.340 0.001 0.000 0.210 424 L C 2.650 179.446 176.870 -0.122 0.000 1.081 424 L CA 1.141 55.916 54.840 -0.108 0.000 0.752 424 L CB -0.656 41.314 42.059 -0.148 0.000 0.896 424 L HN 0.393 nan 8.230 nan 0.000 0.433 425 L N -0.006 121.128 121.223 -0.149 0.000 1.994 425 L HA -0.170 4.170 4.340 0.001 0.000 0.208 425 L C 2.537 179.345 176.870 -0.104 0.000 1.071 425 L CA 1.973 56.715 54.840 -0.163 0.000 0.745 425 L CB -0.884 41.080 42.059 -0.159 0.000 0.892 425 L HN 0.330 nan 8.230 nan 0.000 0.431 426 G N -0.980 107.813 108.800 -0.011 0.000 2.446 426 G HA2 -0.301 3.659 3.960 0.001 0.000 0.217 426 G HA3 -0.301 3.659 3.960 0.001 0.000 0.217 426 G C 1.361 176.292 174.900 0.052 0.000 1.168 426 G CA 0.675 45.842 45.100 0.112 0.000 0.771 426 G HN 0.512 nan 8.290 nan 0.000 0.551 427 Q N 0.379 120.186 119.800 0.012 0.000 2.084 427 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 427 Q C 3.008 178.974 176.000 -0.057 0.000 0.978 427 Q CA 1.296 57.097 55.803 -0.003 0.000 0.844 427 Q CB -0.358 28.371 28.738 -0.014 0.000 0.898 427 Q HN 0.468 nan 8.270 nan 0.000 0.426 428 A N 1.171 123.935 122.820 -0.094 0.000 1.908 428 A HA -0.191 4.130 4.320 0.001 0.000 0.218 428 A C 2.089 179.578 177.584 -0.159 0.000 1.181 428 A CA 1.316 53.284 52.037 -0.115 0.000 0.627 428 A CB -0.671 18.251 19.000 -0.130 0.000 0.818 428 A HN 0.314 nan 8.150 nan 0.000 0.445 429 I N 0.099 120.516 120.570 -0.255 0.000 2.252 429 I HA -0.277 3.893 4.170 0.001 0.000 0.245 429 I C 2.648 178.499 176.117 -0.443 0.000 1.102 429 I CA 1.709 62.747 61.300 -0.437 0.000 1.385 429 I CB -0.525 36.996 38.000 -0.798 0.000 1.064 429 I HN 0.670 nan 8.210 nan 0.000 0.414 430 E N 1.472 121.477 120.200 -0.325 0.000 2.085 430 E HA -0.299 4.052 4.350 0.001 0.000 0.194 430 E C 2.270 178.839 176.600 -0.051 0.000 0.994 430 E CA 1.268 57.619 56.400 -0.081 0.000 0.801 430 E CB -0.320 29.469 29.700 0.148 0.000 0.743 430 E HN 0.320 nan 8.360 nan 0.000 0.453 431 R N 0.324 120.787 120.500 -0.061 0.000 2.148 431 R HA 0.033 4.374 4.340 0.001 0.000 0.227 431 R C 2.045 178.316 176.300 -0.048 0.000 1.103 431 R CA 1.256 57.331 56.100 -0.041 0.000 0.983 431 R CB -0.166 30.109 30.300 -0.041 0.000 0.874 431 R HN 0.345 nan 8.270 nan 0.000 0.451 432 A N -0.292 122.481 122.820 -0.078 0.000 2.251 432 A HA 0.196 4.517 4.320 0.001 0.000 0.209 432 A C 0.417 177.969 177.584 -0.054 0.000 1.187 432 A CA -0.009 51.991 52.037 -0.062 0.000 0.823 432 A CB -0.064 18.898 19.000 -0.064 0.000 0.846 432 A HN 0.102 nan 8.150 nan 0.000 0.486 433 L N 0.000 121.191 121.223 -0.053 0.000 2.949 433 L HA 0.000 4.340 4.340 0.001 0.000 0.249 433 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 433 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502