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 1qvg_1_B DATA FIRST_RESID 1 DATA SEQUENCE PQPSRPRKGS LGFGPRKRST SETPRFNSWP SDDGQPGVQG FAGYKAGMTH DATA SEQUENCE VVLVNDEPNS PREGMEETVP VTVIETPPMR AVALRAYEDT PYGQRPLTEV DATA SEQUENCE WTDEFHSELD RTLDVPEDHD PDAAEEQIRD AHEAGDLGDL RLITHTVPDA DATA SEQUENCE VPSVPKKKPD VMETRVGGGS VSDRLDHALD IVEDGGEHAM NDIFRAGEYA DATA SEQUENCE DVAGVTKGKG TQGPVKRWGV QKRKGKHARQ GWRRRIGNLG PWNPSRVRST DATA SEQUENCE VPQQGQTGYH QRTELNKRLI DIGEGDEPTV DGGFVNYGEV DGPYTLVKGS DATA SEQUENCE VPGPDKRLVR FRPAVRPNDQ PRLDPEVRYV SNESNQG 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.298 177.300 -0.003 0.000 1.155 1 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 1 P CB 0.000 31.699 31.700 -0.001 0.000 0.726 2 Q N 0.711 120.509 119.800 -0.002 0.000 2.389 2 Q HA -0.070 4.270 4.340 0.000 0.000 0.320 2 Q C -2.312 173.687 176.000 -0.002 0.000 1.284 2 Q CA 0.503 56.304 55.803 -0.004 0.000 0.829 2 Q CB -1.201 27.533 28.738 -0.006 0.000 0.948 2 Q HN 0.313 nan 8.270 nan 0.000 0.310 3 P HA 0.174 nan 4.420 nan 0.000 0.271 3 P C -0.017 177.283 177.300 0.000 0.000 1.218 3 P CA -0.076 63.024 63.100 0.001 0.000 0.780 3 P CB 0.748 32.450 31.700 0.003 0.000 0.901 4 S N 1.857 117.557 115.700 0.001 0.000 2.617 4 S HA 0.397 4.867 4.470 0.000 0.000 0.255 4 S C 0.193 174.795 174.600 0.004 0.000 1.318 4 S CA -0.134 58.067 58.200 0.001 0.000 0.978 4 S CB 0.137 63.338 63.200 0.002 0.000 0.961 4 S HN 0.580 nan 8.310 nan 0.000 0.582 5 R N 0.671 121.173 120.500 0.005 0.000 3.964 5 R HA 0.176 4.516 4.340 0.000 0.000 0.244 5 R C -3.365 172.941 176.300 0.010 0.000 1.004 5 R CA -0.947 55.158 56.100 0.008 0.000 1.148 5 R CB -0.190 30.115 30.300 0.008 0.000 1.234 5 R HN 0.483 nan 8.270 nan 0.000 0.567 6 P HA 0.190 nan 4.420 nan 0.000 0.271 6 P C -0.853 176.461 177.300 0.023 0.000 1.233 6 P CA -0.460 62.653 63.100 0.020 0.000 0.789 6 P CB 0.409 32.124 31.700 0.026 0.000 0.951 7 R N 0.613 121.128 120.500 0.025 0.000 2.707 7 R HA 0.310 4.650 4.340 0.000 0.000 0.270 7 R C -0.226 176.107 176.300 0.054 0.000 1.083 7 R CA -0.237 55.877 56.100 0.024 0.000 1.182 7 R CB -0.034 30.273 30.300 0.012 0.000 1.084 7 R HN 0.123 nan 8.270 nan 0.000 0.528 8 K N 1.499 121.936 120.400 0.061 0.000 2.312 8 K HA 0.356 4.676 4.320 0.000 0.000 0.287 8 K C 0.327 177.074 176.600 0.245 0.000 1.062 8 K CA 0.640 57.002 56.287 0.125 0.000 0.934 8 K CB 0.721 33.297 32.500 0.127 0.000 1.027 8 K HN 0.941 nan 8.250 nan 0.000 0.478 9 G N 1.585 110.528 108.800 0.239 0.000 2.755 9 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 9 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 9 G C -0.308 174.778 174.900 0.310 0.000 1.427 9 G CA -0.257 45.032 45.100 0.315 0.000 0.873 9 G HN 0.597 nan 8.290 nan 0.000 0.580 10 S N -0.664 115.197 115.700 0.268 0.000 2.586 10 S HA 0.555 5.025 4.470 0.000 0.000 0.274 10 S C 0.958 175.790 174.600 0.385 0.000 1.281 10 S CA -0.589 57.791 58.200 0.300 0.000 1.035 10 S CB 1.133 64.568 63.200 0.392 0.000 0.962 10 S HN 1.087 nan 8.310 nan 0.000 0.512 11 L N 4.727 126.112 121.223 0.270 0.000 2.741 11 L HA 0.407 4.747 4.340 0.000 0.000 0.237 11 L C 1.762 178.722 176.870 0.149 0.000 1.178 11 L CA 0.566 55.539 54.840 0.222 0.000 0.973 11 L CB -0.201 41.926 42.059 0.113 0.000 1.255 11 L HN 0.955 nan 8.230 nan 0.000 0.498 12 G N -1.714 107.184 108.800 0.163 0.000 2.719 12 G HA2 -0.071 3.889 3.960 0.000 0.000 0.211 12 G HA3 -0.071 3.889 3.960 0.000 0.000 0.211 12 G C 0.525 175.254 174.900 -0.285 0.000 1.140 12 G CA 0.031 45.067 45.100 -0.106 0.000 0.790 12 G HN 0.242 nan 8.290 nan 0.000 0.529 13 F N 1.832 121.767 119.950 -0.023 0.000 2.883 13 F HA 0.580 5.107 4.527 0.000 0.000 0.312 13 F C 0.955 176.689 175.800 -0.110 0.000 1.246 13 F CA -1.246 56.704 58.000 -0.084 0.000 1.238 13 F CB 0.739 39.664 39.000 -0.126 0.000 1.195 13 F HN 0.091 nan 8.300 nan 0.000 0.526 14 G N 0.218 109.055 108.800 0.062 0.000 2.658 14 G HA2 0.671 4.631 3.960 0.000 0.000 0.292 14 G HA3 0.671 4.631 3.960 0.000 0.000 0.292 14 G C -2.575 172.336 174.900 0.017 0.000 1.320 14 G CA -1.382 43.747 45.100 0.049 0.000 0.933 14 G HN -0.010 nan 8.290 nan 0.000 0.476 15 P HA 0.315 nan 4.420 nan 0.000 0.271 15 P C -0.492 176.802 177.300 -0.009 0.000 1.218 15 P CA -0.479 62.650 63.100 0.048 0.000 0.780 15 P CB 1.251 32.982 31.700 0.052 0.000 0.901 16 R N 1.479 121.974 120.500 -0.008 0.000 4.576 16 R HA 0.076 4.416 4.340 0.000 0.000 0.185 16 R C 0.755 177.059 176.300 0.007 0.000 1.837 16 R CA 0.079 56.068 56.100 -0.185 0.000 1.520 16 R CB -0.655 29.551 30.300 -0.157 0.000 1.403 16 R HN 0.469 nan 8.270 nan 0.000 0.831 17 K N -0.575 119.850 120.400 0.043 0.000 2.185 17 K HA 0.435 4.755 4.320 0.000 0.000 0.240 17 K C -0.447 176.305 176.600 0.254 0.000 0.983 17 K CA -0.985 55.390 56.287 0.146 0.000 0.873 17 K CB 1.488 34.044 32.500 0.094 0.000 1.118 17 K HN -0.025 nan 8.250 nan 0.000 0.441 18 R N 0.865 121.501 120.500 0.228 0.000 2.623 18 R HA -0.004 4.336 4.340 0.000 0.000 0.271 18 R C 0.183 176.618 176.300 0.225 0.000 1.043 18 R CA 0.083 56.356 56.100 0.288 0.000 1.083 18 R CB 0.677 31.122 30.300 0.243 0.000 0.974 18 R HN 0.637 nan 8.270 nan 0.000 0.436 19 S N 0.884 116.679 115.700 0.158 0.000 2.568 19 S HA -0.025 4.445 4.470 0.000 0.000 0.282 19 S C 1.130 175.757 174.600 0.046 0.000 1.338 19 S CA -0.335 57.858 58.200 -0.011 0.000 1.045 19 S CB 0.998 64.027 63.200 -0.285 0.000 0.873 19 S HN 0.609 nan 8.310 nan 0.000 0.516 20 T N 3.218 117.782 114.554 0.016 0.000 2.896 20 T HA 0.068 4.418 4.350 0.000 0.000 0.263 20 T C 0.226 174.941 174.700 0.025 0.000 1.050 20 T CA 0.851 62.972 62.100 0.034 0.000 1.140 20 T CB -0.001 68.880 68.868 0.021 0.000 0.877 20 T HN 0.542 nan 8.240 nan 0.000 0.457 21 S N 0.688 116.375 115.700 -0.023 0.000 2.605 21 S HA 0.299 4.769 4.470 0.000 0.000 0.308 21 S C 0.653 175.202 174.600 -0.084 0.000 1.113 21 S CA -0.738 57.447 58.200 -0.024 0.000 1.049 21 S CB 2.487 65.671 63.200 -0.027 0.000 1.001 21 S HN 0.385 nan 8.310 nan 0.000 0.480 22 E N 2.551 122.726 120.200 -0.041 0.000 2.160 22 E HA -0.113 4.237 4.350 0.000 0.000 0.195 22 E C 0.035 176.563 176.600 -0.120 0.000 0.991 22 E CA 0.893 57.234 56.400 -0.099 0.000 0.810 22 E CB 0.181 29.913 29.700 0.054 0.000 0.742 22 E HN 0.533 nan 8.360 nan 0.000 0.466 23 T N 3.301 117.810 114.554 -0.075 0.000 2.761 23 T HA 0.200 4.550 4.350 0.000 0.000 0.296 23 T C -2.461 172.158 174.700 -0.134 0.000 0.934 23 T CA -1.421 60.623 62.100 -0.092 0.000 1.091 23 T CB 1.369 70.214 68.868 -0.038 0.000 0.896 23 T HN 0.068 nan 8.240 nan 0.000 0.515 24 P HA 0.201 nan 4.420 nan 0.000 0.269 24 P C -0.499 176.635 177.300 -0.277 0.000 1.215 24 P CA -0.377 62.550 63.100 -0.287 0.000 0.780 24 P CB 0.527 31.980 31.700 -0.412 0.000 0.898 25 R N 2.544 122.874 120.500 -0.284 0.000 2.473 25 R HA 0.372 4.712 4.340 0.000 0.000 0.303 25 R C -0.498 175.653 176.300 -0.249 0.000 1.002 25 R CA -0.640 55.348 56.100 -0.188 0.000 0.884 25 R CB 0.046 30.304 30.300 -0.069 0.000 1.173 25 R HN 0.427 nan 8.270 nan 0.000 0.464 26 F N 1.893 121.704 119.950 -0.232 0.000 2.553 26 F HA 0.007 4.534 4.527 0.000 0.000 0.356 26 F C 1.829 177.356 175.800 -0.455 0.000 1.142 26 F CA 0.456 58.191 58.000 -0.442 0.000 1.322 26 F CB 0.717 39.208 39.000 -0.849 0.000 1.126 26 F HN 0.571 nan 8.300 nan 0.000 0.599 27 N N -1.054 117.526 118.700 -0.199 0.000 2.177 27 N HA 0.207 4.947 4.740 0.000 0.000 0.218 27 N C -0.789 174.559 175.510 -0.269 0.000 1.182 27 N CA -0.255 52.678 53.050 -0.195 0.000 0.882 27 N CB 0.635 39.055 38.487 -0.111 0.000 1.052 27 N HN 0.298 nan 8.380 nan 0.000 0.519 28 S N -0.239 115.193 115.700 -0.448 0.000 2.564 28 S HA 0.510 4.980 4.470 0.000 0.000 0.274 28 S C -1.833 172.360 174.600 -0.677 0.000 1.124 28 S CA -0.689 57.275 58.200 -0.393 0.000 0.869 28 S CB 1.251 64.338 63.200 -0.189 0.000 1.105 28 S HN 0.325 nan 8.310 nan 0.000 0.472 29 W N 0.961 122.226 121.300 -0.060 0.000 3.033 29 W HA 0.503 5.163 4.660 0.000 0.000 0.336 29 W C -2.638 173.832 176.519 -0.081 0.000 1.173 29 W CA -1.943 55.343 57.345 -0.099 0.000 1.185 29 W CB 0.610 30.023 29.460 -0.078 0.000 1.425 29 W HN 0.431 nan 8.180 nan 0.000 0.536 30 P HA 0.073 nan 4.420 nan 0.000 0.272 30 P C -0.221 177.122 177.300 0.072 0.000 1.254 30 P CA -0.243 62.912 63.100 0.093 0.000 0.795 30 P CB 0.495 32.233 31.700 0.063 0.000 1.022 31 S N -0.542 115.179 115.700 0.035 0.000 2.586 31 S HA 0.188 4.658 4.470 0.000 0.000 0.274 31 S C -0.137 174.462 174.600 -0.002 0.000 1.281 31 S CA -0.748 57.463 58.200 0.018 0.000 1.035 31 S CB 0.250 63.456 63.200 0.011 0.000 0.962 31 S HN 0.261 nan 8.310 nan 0.000 0.512 32 D N 2.652 123.046 120.400 -0.010 0.000 2.489 32 D HA 0.151 4.791 4.640 0.000 0.000 0.237 32 D C 0.121 176.405 176.300 -0.026 0.000 1.212 32 D CA 0.272 54.256 54.000 -0.026 0.000 1.058 32 D CB 0.247 41.030 40.800 -0.029 0.000 1.098 32 D HN 0.567 nan 8.370 nan 0.000 0.509 33 D N 0.935 121.317 120.400 -0.030 0.000 2.818 33 D HA 0.076 4.716 4.640 0.000 0.000 0.250 33 D C 1.437 177.713 176.300 -0.041 0.000 1.496 33 D CA 0.030 54.012 54.000 -0.029 0.000 1.192 33 D CB 0.260 41.046 40.800 -0.023 0.000 0.963 33 D HN 0.311 nan 8.370 nan 0.000 0.259 34 G N 0.464 109.234 108.800 -0.049 0.000 2.378 34 G HA2 -0.055 3.905 3.960 0.000 0.000 0.334 34 G HA3 -0.055 3.905 3.960 0.000 0.000 0.334 34 G C 0.156 175.009 174.900 -0.079 0.000 1.339 34 G CA -0.127 44.936 45.100 -0.063 0.000 1.158 34 G HN 0.302 nan 8.290 nan 0.000 0.636 35 Q N 0.102 119.842 119.800 -0.100 0.000 2.443 35 Q HA 0.200 4.540 4.340 0.000 0.000 0.232 35 Q C -2.169 173.733 176.000 -0.165 0.000 1.026 35 Q CA -1.201 54.523 55.803 -0.133 0.000 0.924 35 Q CB 0.168 28.813 28.738 -0.155 0.000 1.256 35 Q HN 0.210 nan 8.270 nan 0.000 0.519 36 P HA 0.054 nan 4.420 nan 0.000 0.265 36 P C -0.746 176.410 177.300 -0.240 0.000 1.193 36 P CA 0.437 63.419 63.100 -0.196 0.000 0.765 36 P CB 0.513 32.093 31.700 -0.201 0.000 0.823 37 G N 0.949 109.736 108.800 -0.022 0.000 2.632 37 G HA2 0.378 4.338 3.960 0.000 0.000 0.292 37 G HA3 0.378 4.338 3.960 0.000 0.000 0.292 37 G C -1.418 173.479 174.900 -0.006 0.000 1.465 37 G CA -0.542 44.584 45.100 0.044 0.000 0.824 37 G HN 0.302 nan 8.290 nan 0.000 0.509 38 V N 0.936 120.838 119.914 -0.020 0.000 2.572 38 V HA 0.141 4.261 4.120 0.000 0.000 0.291 38 V C 0.829 176.876 176.094 -0.079 0.000 1.039 38 V CA 0.300 62.552 62.300 -0.080 0.000 1.055 38 V CB 1.327 33.109 31.823 -0.068 0.000 0.969 38 V HN 0.751 nan 8.190 nan 0.000 0.482 39 Q N 3.497 123.225 119.800 -0.121 0.000 2.412 39 Q HA 0.461 4.801 4.340 0.000 0.000 0.298 39 Q C 0.578 176.664 176.000 0.142 0.000 0.938 39 Q CA 0.060 55.832 55.803 -0.052 0.000 0.968 39 Q CB 0.658 29.340 28.738 -0.092 0.000 1.187 39 Q HN 0.980 nan 8.270 nan 0.000 0.421 40 G N 0.119 109.064 108.800 0.242 0.000 2.325 40 G HA2 0.369 4.329 3.960 0.000 0.000 0.297 40 G HA3 0.369 4.329 3.960 0.000 0.000 0.297 40 G C -2.165 173.132 174.900 0.661 0.000 1.448 40 G CA -0.688 44.719 45.100 0.510 0.000 0.838 40 G HN 0.106 nan 8.290 nan 0.000 0.579 41 F N -0.260 120.005 119.950 0.525 0.000 2.831 41 F HA 0.876 5.403 4.527 0.000 0.000 0.318 41 F C -0.559 175.492 175.800 0.419 0.000 1.174 41 F CA 0.157 58.393 58.000 0.393 0.000 0.918 41 F CB 1.627 40.818 39.000 0.318 0.000 1.364 41 F HN 1.395 nan 8.300 nan 0.000 0.475 42 A N 0.499 123.169 122.820 -0.251 0.000 2.593 42 A HA 0.954 5.274 4.320 0.000 0.000 0.290 42 A C -1.006 176.523 177.584 -0.092 0.000 1.126 42 A CA -0.160 51.856 52.037 -0.036 0.000 0.695 42 A CB 1.427 20.308 19.000 -0.198 0.000 1.290 42 A HN 1.668 nan 8.150 nan 0.000 0.414 43 G N -1.543 107.225 108.800 -0.052 0.000 2.731 43 G HA2 0.585 4.545 3.960 0.000 0.000 0.309 43 G HA3 0.585 4.545 3.960 0.000 0.000 0.309 43 G C -2.242 172.459 174.900 -0.332 0.000 1.273 43 G CA -0.385 44.708 45.100 -0.011 0.000 0.798 43 G HN 0.706 nan 8.290 nan 0.000 0.509 44 Y N 0.461 120.807 120.300 0.077 0.000 2.354 44 Y HA 0.471 5.021 4.550 0.000 0.000 0.330 44 Y C 0.444 176.319 175.900 -0.042 0.000 1.011 44 Y CA -0.833 57.290 58.100 0.038 0.000 1.099 44 Y CB 2.265 40.784 38.460 0.099 0.000 1.179 44 Y HN 0.553 nan 8.280 nan 0.000 0.442 45 K N 1.736 122.136 120.400 0.001 0.000 2.524 45 K HA 0.275 4.595 4.320 0.000 0.000 0.279 45 K C 0.324 176.661 176.600 -0.439 0.000 0.993 45 K CA 0.923 57.113 56.287 -0.163 0.000 1.030 45 K CB 0.601 33.017 32.500 -0.141 0.000 0.891 45 K HN 0.913 nan 8.250 nan 0.000 0.488 46 A N 3.363 125.773 122.820 -0.683 0.000 1.997 46 A HA 0.435 4.755 4.320 0.000 0.000 0.198 46 A C 0.656 177.606 177.584 -1.058 0.000 1.449 46 A CA 0.887 52.103 52.037 -1.369 0.000 0.908 46 A CB 0.411 18.655 19.000 -1.259 0.000 0.984 46 A HN 0.915 nan 8.150 nan 0.000 0.487 47 G N -1.504 106.812 108.800 -0.808 0.000 2.344 47 G HA2 0.432 4.392 3.960 0.000 0.000 0.282 47 G HA3 0.432 4.392 3.960 0.000 0.000 0.282 47 G C -1.384 173.321 174.900 -0.323 0.000 1.281 47 G CA -0.450 44.321 45.100 -0.548 0.000 0.877 47 G HN 0.228 nan 8.290 nan 0.000 0.494 48 M N 0.635 120.199 119.600 -0.061 0.000 2.518 48 M HA 0.719 5.199 4.480 0.000 0.000 0.300 48 M C -0.377 176.023 176.300 0.167 0.000 1.175 48 M CA -0.634 54.687 55.300 0.034 0.000 0.890 48 M CB 2.850 35.462 32.600 0.019 0.000 1.710 48 M HN 1.064 nan 8.290 nan 0.000 0.453 49 T N -2.250 112.385 114.554 0.136 0.000 2.786 49 T HA 0.515 4.865 4.350 0.000 0.000 0.316 49 T C -1.270 173.530 174.700 0.167 0.000 1.503 49 T CA -1.131 61.071 62.100 0.170 0.000 1.019 49 T CB 1.293 70.220 68.868 0.098 0.000 1.415 49 T HN 0.767 nan 8.240 nan 0.000 0.496 50 H N -0.443 118.606 119.070 -0.036 0.000 2.525 50 H HA 0.870 5.426 4.556 0.000 0.000 0.340 50 H C -1.004 174.266 175.328 -0.096 0.000 1.168 50 H CA -1.426 54.597 56.048 -0.042 0.000 1.247 50 H CB 1.340 31.093 29.762 -0.014 0.000 1.568 50 H HN 0.634 nan 8.280 nan 0.000 0.536 51 V N 1.833 121.739 119.914 -0.014 0.000 2.823 51 V HA 0.393 4.513 4.120 0.000 0.000 0.312 51 V C -0.860 175.234 176.094 0.001 0.000 1.072 51 V CA -0.791 61.449 62.300 -0.100 0.000 0.937 51 V CB 2.080 33.875 31.823 -0.047 0.000 1.013 51 V HN 0.651 nan 8.190 nan 0.000 0.430 52 V N 7.066 126.993 119.914 0.022 0.000 2.439 52 V HA 0.549 4.669 4.120 0.000 0.000 0.282 52 V C -0.292 175.845 176.094 0.072 0.000 1.039 52 V CA -0.341 62.016 62.300 0.095 0.000 0.913 52 V CB 1.296 33.219 31.823 0.166 0.000 0.983 52 V HN 0.684 nan 8.190 nan 0.000 0.460 53 L N 4.469 125.730 121.223 0.063 0.000 2.283 53 L HA 0.631 4.971 4.340 0.000 0.000 0.259 53 L C -0.302 176.595 176.870 0.045 0.000 1.027 53 L CA -0.514 54.356 54.840 0.049 0.000 0.828 53 L CB 2.269 44.352 42.059 0.040 0.000 1.380 53 L HN 0.354 nan 8.230 nan 0.000 0.425 54 V N 1.839 121.775 119.914 0.037 0.000 2.383 54 V HA 0.262 4.382 4.120 0.000 0.000 0.275 54 V C 0.398 176.510 176.094 0.030 0.000 1.036 54 V CA -0.924 61.395 62.300 0.032 0.000 0.889 54 V CB 0.985 32.824 31.823 0.027 0.000 0.985 54 V HN 0.697 nan 8.190 nan 0.000 0.459 55 N N 4.252 122.971 118.700 0.031 0.000 2.276 55 N HA -0.132 4.608 4.740 0.000 0.000 0.279 55 N C 0.865 176.393 175.510 0.029 0.000 1.379 55 N CA 0.499 53.568 53.050 0.032 0.000 0.886 55 N CB 0.407 38.912 38.487 0.030 0.000 1.199 55 N HN 0.786 nan 8.380 nan 0.000 0.493 56 D N 2.482 122.900 120.400 0.030 0.000 2.323 56 D HA -0.091 4.549 4.640 0.000 0.000 0.209 56 D C -0.088 176.232 176.300 0.033 0.000 0.973 56 D CA 0.242 54.258 54.000 0.027 0.000 0.874 56 D CB 0.301 41.114 40.800 0.022 0.000 0.930 56 D HN 0.652 nan 8.370 nan 0.000 0.521 57 E N 1.718 121.942 120.200 0.040 0.000 2.292 57 E HA 0.001 4.351 4.350 0.000 0.000 0.265 57 E C -1.496 175.124 176.600 0.034 0.000 1.093 57 E CA -1.391 55.035 56.400 0.043 0.000 0.922 57 E CB 1.312 31.041 29.700 0.048 0.000 1.001 57 E HN 0.099 nan 8.360 nan 0.000 0.444 58 P HA -0.166 nan 4.420 nan 0.000 0.219 58 P C 0.199 177.512 177.300 0.023 0.000 1.146 58 P CA 1.113 64.228 63.100 0.025 0.000 0.808 58 P CB 0.327 32.042 31.700 0.025 0.000 0.779 59 N N -0.629 118.086 118.700 0.025 0.000 2.280 59 N HA 0.012 4.752 4.740 0.000 0.000 0.192 59 N C 0.591 176.113 175.510 0.021 0.000 1.109 59 N CA 0.217 53.279 53.050 0.021 0.000 0.855 59 N CB 0.191 38.691 38.487 0.021 0.000 0.974 59 N HN 0.097 nan 8.380 nan 0.000 0.482 60 S N 1.465 117.180 115.700 0.024 0.000 2.545 60 S HA 0.271 4.741 4.470 0.000 0.000 0.275 60 S C -1.716 172.896 174.600 0.020 0.000 1.299 60 S CA -1.289 56.925 58.200 0.023 0.000 1.048 60 S CB 1.442 64.658 63.200 0.027 0.000 0.938 60 S HN -0.083 nan 8.310 nan 0.000 0.496 61 P HA 0.115 nan 4.420 nan 0.000 0.234 61 P C 0.430 177.740 177.300 0.017 0.000 1.167 61 P CA 0.659 63.768 63.100 0.016 0.000 0.763 61 P CB 0.136 31.845 31.700 0.014 0.000 0.835 62 R N -0.289 120.222 120.500 0.019 0.000 2.397 62 R HA 0.093 4.433 4.340 0.000 0.000 0.241 62 R C 0.422 176.735 176.300 0.022 0.000 0.914 62 R CA -0.180 55.932 56.100 0.021 0.000 1.071 62 R CB -0.068 30.246 30.300 0.023 0.000 1.116 62 R HN 0.328 nan 8.270 nan 0.000 0.524 63 E N 0.718 120.931 120.200 0.022 0.000 2.694 63 E HA -0.069 4.281 4.350 0.000 0.000 0.250 63 E C 0.773 177.385 176.600 0.020 0.000 0.963 63 E CA 1.056 57.469 56.400 0.022 0.000 0.949 63 E CB 0.189 29.902 29.700 0.021 0.000 0.911 63 E HN 0.301 nan 8.360 nan 0.000 0.500 64 G N 3.456 112.269 108.800 0.021 0.000 2.213 64 G HA2 -0.271 3.689 3.960 0.000 0.000 0.226 64 G HA3 -0.271 3.689 3.960 0.000 0.000 0.226 64 G C 0.270 175.183 174.900 0.021 0.000 0.992 64 G CA 0.153 45.265 45.100 0.020 0.000 0.632 64 G HN 0.521 nan 8.290 nan 0.000 0.511 65 M N 0.959 120.573 119.600 0.023 0.000 2.283 65 M HA 0.415 4.895 4.480 0.000 0.000 0.314 65 M C 0.669 176.987 176.300 0.031 0.000 1.153 65 M CA -0.610 54.705 55.300 0.025 0.000 1.084 65 M CB 0.500 33.114 32.600 0.024 0.000 1.468 65 M HN 0.051 nan 8.290 nan 0.000 0.474 66 E N 1.650 121.870 120.200 0.033 0.000 2.425 66 E HA 0.121 4.471 4.350 0.000 0.000 0.258 66 E C -0.844 175.785 176.600 0.047 0.000 1.151 66 E CA 0.435 56.860 56.400 0.043 0.000 0.958 66 E CB 0.655 30.382 29.700 0.044 0.000 0.968 66 E HN 0.482 nan 8.360 nan 0.000 0.451 67 E N -0.229 120.007 120.200 0.059 0.000 2.748 67 E HA 0.109 4.459 4.350 0.000 0.000 0.320 67 E C -1.653 174.993 176.600 0.076 0.000 0.996 67 E CA -0.188 56.247 56.400 0.059 0.000 0.835 67 E CB 1.086 30.816 29.700 0.050 0.000 1.265 67 E HN 0.287 nan 8.360 nan 0.000 0.420 68 T N 2.030 116.635 114.554 0.085 0.000 2.806 68 T HA 0.477 4.827 4.350 0.000 0.000 0.290 68 T C -0.454 174.300 174.700 0.090 0.000 0.966 68 T CA -0.459 61.711 62.100 0.116 0.000 1.060 68 T CB 1.123 70.074 68.868 0.139 0.000 0.927 68 T HN 0.140 nan 8.240 nan 0.000 0.485 69 V N 5.893 125.866 119.914 0.099 0.000 2.638 69 V HA 0.391 4.511 4.120 0.000 0.000 0.306 69 V C -2.446 173.701 176.094 0.088 0.000 1.052 69 V CA -2.268 60.077 62.300 0.075 0.000 0.885 69 V CB 2.189 34.048 31.823 0.060 0.000 0.999 69 V HN 0.666 nan 8.190 nan 0.000 0.424 70 P HA 0.387 nan 4.420 nan 0.000 0.275 70 P C -1.199 176.131 177.300 0.050 0.000 1.227 70 P CA -0.093 63.044 63.100 0.061 0.000 0.781 70 P CB 0.908 32.625 31.700 0.028 0.000 0.906 71 V N 2.527 122.470 119.914 0.047 0.000 2.733 71 V HA 0.328 4.448 4.120 0.000 0.000 0.306 71 V C -0.216 175.879 176.094 0.002 0.000 1.084 71 V CA -0.454 61.861 62.300 0.026 0.000 0.905 71 V CB 2.415 34.252 31.823 0.024 0.000 1.010 71 V HN 0.395 nan 8.190 nan 0.000 0.424 72 T N 3.809 118.353 114.554 -0.016 0.000 2.749 72 T HA 0.467 4.818 4.350 0.000 0.000 0.287 72 T C -0.095 174.556 174.700 -0.082 0.000 0.970 72 T CA -0.249 61.811 62.100 -0.067 0.000 0.980 72 T CB 1.292 70.118 68.868 -0.068 0.000 0.924 72 T HN 0.394 nan 8.240 nan 0.000 0.456 73 V N 5.822 125.626 119.914 -0.183 0.000 2.555 73 V HA 0.397 4.517 4.120 0.000 0.000 0.286 73 V C 0.164 176.135 176.094 -0.204 0.000 1.044 73 V CA -0.257 61.920 62.300 -0.206 0.000 1.026 73 V CB 0.465 32.055 31.823 -0.388 0.000 0.981 73 V HN 0.754 nan 8.190 nan 0.000 0.480 74 I N 3.906 124.455 120.570 -0.036 0.000 2.512 74 I HA 0.342 4.512 4.170 0.000 0.000 0.287 74 I C -0.057 176.136 176.117 0.126 0.000 1.069 74 I CA -0.513 60.803 61.300 0.027 0.000 1.056 74 I CB 2.080 40.181 38.000 0.168 0.000 1.229 74 I HN 0.576 nan 8.210 nan 0.000 0.429 75 E N 4.831 125.112 120.200 0.134 0.000 2.217 75 E HA 0.154 4.504 4.350 0.000 0.000 0.279 75 E C -0.111 176.639 176.600 0.250 0.000 1.068 75 E CA -0.036 56.496 56.400 0.221 0.000 0.882 75 E CB 0.722 30.574 29.700 0.252 0.000 1.039 75 E HN 0.579 nan 8.360 nan 0.000 0.418 76 T N 0.749 115.438 114.554 0.226 0.000 3.390 76 T HA 0.331 4.681 4.350 0.000 0.000 0.315 76 T C -2.544 172.330 174.700 0.289 0.000 1.799 76 T CA -2.189 60.073 62.100 0.270 0.000 1.553 76 T CB 0.376 69.384 68.868 0.234 0.000 1.002 76 T HN 0.076 nan 8.240 nan 0.000 0.715 77 P HA 0.278 nan 4.420 nan 0.000 0.271 77 P C -2.453 174.973 177.300 0.209 0.000 1.233 77 P CA -1.146 62.056 63.100 0.169 0.000 0.789 77 P CB -0.319 31.460 31.700 0.131 0.000 0.951 78 P HA 0.064 nan 4.420 nan 0.000 0.266 78 P C -0.288 176.999 177.300 -0.023 0.000 1.193 78 P CA 0.976 64.150 63.100 0.123 0.000 0.770 78 P CB 0.279 32.005 31.700 0.044 0.000 0.836 79 M N 1.980 121.457 119.600 -0.206 0.000 2.852 79 M HA 0.515 4.995 4.480 0.000 0.000 0.301 79 M C 0.124 176.345 176.300 -0.131 0.000 1.229 79 M CA -0.712 54.385 55.300 -0.338 0.000 0.832 79 M CB 1.986 34.276 32.600 -0.517 0.000 1.726 79 M HN 0.100 nan 8.290 nan 0.000 0.497 80 R N 0.305 120.740 120.500 -0.107 0.000 2.500 80 R HA 0.483 4.823 4.340 0.000 0.000 0.299 80 R C -1.137 175.194 176.300 0.052 0.000 1.038 80 R CA -0.533 55.595 56.100 0.047 0.000 0.903 80 R CB 1.705 31.987 30.300 -0.031 0.000 1.177 80 R HN 0.799 nan 8.270 nan 0.000 0.455 81 A N 3.213 126.050 122.820 0.029 0.000 2.655 81 A HA 0.132 4.452 4.320 0.000 0.000 0.297 81 A C 1.082 178.636 177.584 -0.049 0.000 1.461 81 A CA -0.257 51.724 52.037 -0.094 0.000 1.146 81 A CB -0.020 18.830 19.000 -0.249 0.000 1.108 81 A HN 0.584 nan 8.150 nan 0.000 0.550 82 V N 1.229 121.144 119.914 0.001 0.000 3.510 82 V HA 0.324 4.444 4.120 0.000 0.000 0.270 82 V C 1.068 177.021 176.094 -0.235 0.000 1.201 82 V CA 1.424 63.762 62.300 0.063 0.000 1.166 82 V CB -1.804 30.225 31.823 0.342 0.000 0.825 82 V HN 1.196 nan 8.190 nan 0.000 0.484 83 A N 0.068 122.626 122.820 -0.436 0.000 2.571 83 A HA 0.558 4.878 4.320 0.000 0.000 0.296 83 A C -1.736 175.582 177.584 -0.443 0.000 1.005 83 A CA -0.416 51.236 52.037 -0.642 0.000 0.682 83 A CB 1.087 19.029 19.000 -1.762 0.000 1.292 83 A HN -0.011 nan 8.150 nan 0.000 0.420 84 L N 2.050 123.085 121.223 -0.313 0.000 2.280 84 L HA 0.670 5.010 4.340 0.000 0.000 0.287 84 L C 0.149 176.912 176.870 -0.178 0.000 1.023 84 L CA -0.286 54.430 54.840 -0.206 0.000 0.819 84 L CB 0.949 42.926 42.059 -0.136 0.000 1.212 84 L HN 0.956 nan 8.230 nan 0.000 0.420 85 R N 4.438 124.838 120.500 -0.166 0.000 2.368 85 R HA 0.750 5.090 4.340 0.000 0.000 0.302 85 R C -1.025 175.194 176.300 -0.134 0.000 1.002 85 R CA -0.323 55.679 56.100 -0.164 0.000 0.929 85 R CB 1.437 31.627 30.300 -0.183 0.000 1.073 85 R HN 0.801 nan 8.270 nan 0.000 0.464 86 A N 4.106 126.827 122.820 -0.166 0.000 2.350 86 A HA 0.532 4.852 4.320 0.000 0.000 0.324 86 A C -1.678 175.791 177.584 -0.191 0.000 1.118 86 A CA -0.585 51.399 52.037 -0.090 0.000 0.783 86 A CB 0.822 19.801 19.000 -0.035 0.000 1.236 86 A HN 0.735 nan 8.150 nan 0.000 0.457 87 Y N 0.479 120.779 120.300 0.001 0.000 2.446 87 Y HA 0.486 5.036 4.550 0.000 0.000 0.338 87 Y C 0.592 176.506 175.900 0.024 0.000 1.055 87 Y CA -0.403 57.709 58.100 0.019 0.000 1.101 87 Y CB 1.893 40.366 38.460 0.021 0.000 1.221 87 Y HN 0.828 nan 8.280 nan 0.000 0.460 88 E N 0.512 120.830 120.200 0.197 0.000 2.244 88 E HA 0.420 4.770 4.350 0.000 0.000 0.266 88 E C -1.591 175.091 176.600 0.136 0.000 0.914 88 E CA -1.112 55.368 56.400 0.134 0.000 0.794 88 E CB 1.558 31.317 29.700 0.097 0.000 1.210 88 E HN 0.349 nan 8.360 nan 0.000 0.414 89 D N 2.040 122.501 120.400 0.101 0.000 2.277 89 D HA 0.231 4.871 4.640 0.000 0.000 0.249 89 D C -0.405 175.945 176.300 0.083 0.000 1.134 89 D CA 0.081 54.131 54.000 0.083 0.000 0.863 89 D CB 1.611 42.446 40.800 0.059 0.000 1.143 89 D HN 0.589 nan 8.370 nan 0.000 0.458 90 T N -1.184 113.427 114.554 0.095 0.000 2.865 90 T HA 0.457 4.807 4.350 0.000 0.000 0.294 90 T C -2.308 172.427 174.700 0.058 0.000 1.119 90 T CA -1.959 60.208 62.100 0.112 0.000 1.007 90 T CB 1.968 70.952 68.868 0.194 0.000 1.225 90 T HN -0.167 nan 8.240 nan 0.000 0.515 91 P HA 0.053 nan 4.420 nan 0.000 0.229 91 P C -0.353 176.594 177.300 -0.589 0.000 1.150 91 P CA 0.901 63.815 63.100 -0.310 0.000 0.765 91 P CB -0.271 31.182 31.700 -0.411 0.000 0.783 92 Y N -1.875 118.443 120.300 0.031 0.000 2.716 92 Y HA 0.489 5.039 4.550 0.000 0.000 0.260 92 Y C 1.513 177.434 175.900 0.035 0.000 1.141 92 Y CA 0.048 58.167 58.100 0.031 0.000 1.168 92 Y CB 0.225 38.704 38.460 0.033 0.000 1.189 92 Y HN -0.063 nan 8.280 nan 0.000 0.549 93 G N 0.474 109.338 108.800 0.107 0.000 2.512 93 G HA2 -0.160 3.800 3.960 0.000 0.000 0.210 93 G HA3 -0.160 3.800 3.960 0.000 0.000 0.210 93 G C -0.864 174.102 174.900 0.110 0.000 1.295 93 G CA -1.050 44.103 45.100 0.089 0.000 0.934 93 G HN 0.119 nan 8.290 nan 0.000 0.554 94 Q N 0.208 120.068 119.800 0.100 0.000 2.222 94 Q HA 0.687 5.027 4.340 0.000 0.000 0.252 94 Q C 0.111 176.255 176.000 0.240 0.000 0.926 94 Q CA -0.350 55.538 55.803 0.142 0.000 0.899 94 Q CB 1.549 30.306 28.738 0.033 0.000 1.250 94 Q HN 0.515 nan 8.270 nan 0.000 0.441 95 R N 1.879 122.564 120.500 0.310 0.000 2.621 95 R HA 0.404 4.744 4.340 0.000 0.000 0.284 95 R C -2.768 173.638 176.300 0.177 0.000 0.998 95 R CA -2.240 54.014 56.100 0.256 0.000 0.895 95 R CB 1.750 32.137 30.300 0.144 0.000 1.195 95 R HN 0.380 nan 8.270 nan 0.000 0.450 96 P HA 0.008 nan 4.420 nan 0.000 0.263 96 P C 0.180 177.391 177.300 -0.149 0.000 1.195 96 P CA 0.213 63.095 63.100 -0.364 0.000 0.762 96 P CB 0.746 32.274 31.700 -0.285 0.000 0.799 97 L N 2.364 123.496 121.223 -0.152 0.000 2.187 97 L HA 0.128 4.468 4.340 0.000 0.000 0.197 97 L C 0.531 177.385 176.870 -0.027 0.000 1.090 97 L CA 1.515 56.327 54.840 -0.046 0.000 0.781 97 L CB 0.203 42.252 42.059 -0.016 0.000 0.956 97 L HN 0.436 nan 8.230 nan 0.000 0.463 98 T N -2.070 112.463 114.554 -0.035 0.000 2.648 98 T HA 0.411 4.761 4.350 0.000 0.000 0.304 98 T C -1.573 173.141 174.700 0.024 0.000 1.312 98 T CA -0.792 61.324 62.100 0.026 0.000 1.023 98 T CB 2.331 71.235 68.868 0.061 0.000 1.612 98 T HN 0.005 nan 8.240 nan 0.000 0.487 99 E N -0.037 120.237 120.200 0.123 0.000 2.352 99 E HA 0.579 4.929 4.350 0.000 0.000 0.280 99 E C -1.692 175.078 176.600 0.283 0.000 0.930 99 E CA -0.780 55.687 56.400 0.111 0.000 0.765 99 E CB 2.777 32.557 29.700 0.134 0.000 1.219 99 E HN 0.309 nan 8.360 nan 0.000 0.434 100 V N 2.762 122.768 119.914 0.153 0.000 2.347 100 V HA 0.379 4.499 4.120 0.000 0.000 0.280 100 V C -0.771 175.442 176.094 0.199 0.000 1.021 100 V CA -0.544 61.937 62.300 0.301 0.000 0.847 100 V CB 0.232 32.126 31.823 0.118 0.000 0.990 100 V HN 0.617 nan 8.190 nan 0.000 0.444 101 W N 2.624 124.083 121.300 0.266 0.000 2.879 101 W HA 0.741 5.401 4.660 0.000 0.000 0.491 101 W C 0.811 177.429 176.519 0.163 0.000 1.615 101 W CA -0.045 57.391 57.345 0.152 0.000 1.532 101 W CB 0.858 30.334 29.460 0.027 0.000 2.340 101 W HN 0.596 nan 8.180 nan 0.000 0.706 102 T N -3.343 111.478 114.554 0.446 0.000 2.693 102 T HA 0.372 4.722 4.350 0.000 0.000 0.278 102 T C -0.346 174.229 174.700 -0.208 0.000 0.994 102 T CA -0.601 61.545 62.100 0.077 0.000 1.033 102 T CB 1.779 70.609 68.868 -0.064 0.000 1.342 102 T HN 0.380 nan 8.240 nan 0.000 0.538 103 D N -0.570 119.583 120.400 -0.411 0.000 2.482 103 D HA 0.114 4.754 4.640 0.000 0.000 0.251 103 D C -0.021 175.824 176.300 -0.759 0.000 1.073 103 D CA 0.080 53.788 54.000 -0.487 0.000 0.892 103 D CB 0.461 41.180 40.800 -0.135 0.000 1.202 103 D HN 0.643 nan 8.370 nan 0.000 0.496 104 E N 0.788 120.659 120.200 -0.548 0.000 2.166 104 E HA 0.273 4.623 4.350 0.000 0.000 0.279 104 E C -0.790 175.570 176.600 -0.400 0.000 1.095 104 E CA 0.094 56.300 56.400 -0.324 0.000 0.888 104 E CB 0.449 30.074 29.700 -0.125 0.000 1.041 104 E HN 0.054 nan 8.360 nan 0.000 0.414 105 F N 1.070 121.094 119.950 0.123 0.000 2.508 105 F HA 0.175 4.702 4.527 0.000 0.000 0.325 105 F C 0.764 176.655 175.800 0.151 0.000 1.090 105 F CA -1.167 56.925 58.000 0.152 0.000 0.945 105 F CB 1.240 40.304 39.000 0.107 0.000 1.156 105 F HN 0.442 nan 8.300 nan 0.000 0.463 106 H N 1.786 121.048 119.070 0.320 0.000 2.964 106 H HA -0.041 4.515 4.556 0.000 0.000 0.328 106 H C 1.301 176.715 175.328 0.142 0.000 1.030 106 H CA 0.749 56.924 56.048 0.212 0.000 1.445 106 H CB 1.429 31.342 29.762 0.253 0.000 1.449 106 H HN 0.893 nan 8.280 nan 0.000 0.581 107 S N 3.085 118.538 115.700 -0.412 0.000 2.434 107 S HA -0.228 4.242 4.470 0.000 0.000 0.243 107 S C 0.827 175.302 174.600 -0.208 0.000 1.045 107 S CA 1.907 59.938 58.200 -0.281 0.000 1.019 107 S CB -0.061 62.963 63.200 -0.294 0.000 0.811 107 S HN 0.823 nan 8.310 nan 0.000 0.485 108 E N -0.322 119.738 120.200 -0.233 0.000 2.734 108 E HA 0.318 4.668 4.350 0.000 0.000 0.211 108 E C 0.702 177.343 176.600 0.068 0.000 0.991 108 E CA -0.213 56.180 56.400 -0.012 0.000 1.065 108 E CB 0.527 30.251 29.700 0.041 0.000 1.047 108 E HN 0.351 nan 8.360 nan 0.000 0.470 109 L N 1.864 123.117 121.223 0.049 0.000 2.376 109 L HA -0.082 4.258 4.340 0.000 0.000 0.219 109 L C 1.597 178.415 176.870 -0.087 0.000 1.133 109 L CA 1.621 56.422 54.840 -0.064 0.000 0.816 109 L CB -0.009 41.984 42.059 -0.110 0.000 0.933 109 L HN 0.146 nan 8.230 nan 0.000 0.449 110 D N -1.406 118.950 120.400 -0.074 0.000 2.363 110 D HA -0.171 4.469 4.640 0.000 0.000 0.226 110 D C 1.641 177.908 176.300 -0.055 0.000 1.020 110 D CA 0.210 54.157 54.000 -0.089 0.000 0.892 110 D CB -0.207 40.539 40.800 -0.089 0.000 0.900 110 D HN 0.384 nan 8.370 nan 0.000 0.531 111 R N -0.204 120.278 120.500 -0.031 0.000 2.307 111 R HA 0.079 4.419 4.340 0.000 0.000 0.199 111 R C 1.078 177.371 176.300 -0.012 0.000 1.000 111 R CA 0.788 56.879 56.100 -0.014 0.000 1.023 111 R CB 0.352 30.655 30.300 0.006 0.000 0.908 111 R HN 0.166 nan 8.270 nan 0.000 0.473 112 T N -0.700 113.839 114.554 -0.024 0.000 3.232 112 T HA 0.251 4.601 4.350 0.000 0.000 0.259 112 T C 0.339 175.022 174.700 -0.029 0.000 0.987 112 T CA -0.016 62.076 62.100 -0.014 0.000 1.096 112 T CB 0.422 69.291 68.868 0.002 0.000 1.131 112 T HN -0.091 nan 8.240 nan 0.000 0.445 113 L N 1.513 122.701 121.223 -0.059 0.000 2.358 113 L HA 0.571 4.911 4.340 0.000 0.000 0.268 113 L C -0.604 176.183 176.870 -0.137 0.000 1.032 113 L CA -1.031 53.757 54.840 -0.087 0.000 0.805 113 L CB 0.794 42.794 42.059 -0.097 0.000 1.253 113 L HN -0.027 nan 8.230 nan 0.000 0.452 114 D N 1.529 121.831 120.400 -0.162 0.000 2.524 114 D HA 0.205 4.845 4.640 0.000 0.000 0.222 114 D C -0.225 175.902 176.300 -0.288 0.000 1.142 114 D CA -0.122 53.771 54.000 -0.180 0.000 0.973 114 D CB 0.892 41.605 40.800 -0.144 0.000 1.025 114 D HN 0.100 nan 8.370 nan 0.000 0.519 115 V N 2.996 122.701 119.914 -0.347 0.000 2.752 115 V HA -0.069 4.051 4.120 0.000 0.000 0.306 115 V C -1.688 174.104 176.094 -0.504 0.000 1.099 115 V CA -0.722 61.234 62.300 -0.572 0.000 1.240 115 V CB -0.392 31.049 31.823 -0.636 0.000 0.887 115 V HN 0.313 nan 8.190 nan 0.000 0.499 116 P HA 0.197 nan 4.420 nan 0.000 0.268 116 P C 0.335 177.565 177.300 -0.118 0.000 1.205 116 P CA -0.035 62.843 63.100 -0.371 0.000 0.771 116 P CB 0.631 32.056 31.700 -0.459 0.000 0.858 117 E N 0.175 120.339 120.200 -0.060 0.000 2.474 117 E HA 0.089 4.439 4.350 0.000 0.000 0.215 117 E C -0.462 176.162 176.600 0.040 0.000 0.867 117 E CA 0.207 56.614 56.400 0.012 0.000 1.135 117 E CB 0.581 30.272 29.700 -0.016 0.000 1.147 117 E HN 0.477 nan 8.360 nan 0.000 0.534 118 D N 0.462 120.880 120.400 0.030 0.000 2.386 118 D HA 0.187 4.827 4.640 0.000 0.000 0.247 118 D C -1.472 174.891 176.300 0.104 0.000 1.336 118 D CA -0.241 53.792 54.000 0.055 0.000 0.976 118 D CB 1.312 42.127 40.800 0.025 0.000 1.257 118 D HN 0.036 nan 8.370 nan 0.000 0.570 119 H N 0.518 119.593 119.070 0.009 0.000 2.717 119 H HA 0.264 4.820 4.556 0.000 0.000 0.366 119 H C -1.439 173.916 175.328 0.046 0.000 1.132 119 H CA -0.600 55.460 56.048 0.019 0.000 1.180 119 H CB 1.841 31.620 29.762 0.030 0.000 1.678 119 H HN 0.023 nan 8.280 nan 0.000 0.537 120 D N 5.530 125.652 120.400 -0.464 0.000 2.499 120 D HA 0.189 4.829 4.640 0.000 0.000 0.225 120 D C -1.853 174.110 176.300 -0.562 0.000 1.124 120 D CA -2.035 51.744 54.000 -0.368 0.000 0.938 120 D CB 1.240 41.937 40.800 -0.171 0.000 1.014 120 D HN 0.422 nan 8.370 nan 0.000 0.517 121 P HA -0.105 nan 4.420 nan 0.000 0.215 121 P C 0.563 177.811 177.300 -0.087 0.000 1.157 121 P CA 1.061 64.042 63.100 -0.198 0.000 0.868 121 P CB 0.472 32.162 31.700 -0.017 0.000 0.788 122 D N -0.382 119.974 120.400 -0.073 0.000 2.084 122 D HA -0.154 4.486 4.640 0.000 0.000 0.194 122 D C 2.100 178.382 176.300 -0.030 0.000 0.990 122 D CA 1.603 55.582 54.000 -0.036 0.000 0.826 122 D CB -1.001 39.782 40.800 -0.028 0.000 0.971 122 D HN 0.019 nan 8.370 nan 0.000 0.453 123 A N 0.973 123.765 122.820 -0.047 0.000 1.917 123 A HA -0.162 4.158 4.320 0.000 0.000 0.219 123 A C 2.267 179.848 177.584 -0.006 0.000 1.182 123 A CA 2.445 54.467 52.037 -0.026 0.000 0.633 123 A CB -1.115 17.865 19.000 -0.033 0.000 0.819 123 A HN 0.259 nan 8.150 nan 0.000 0.448 124 A N -0.596 122.219 122.820 -0.008 0.000 1.845 124 A HA -0.217 4.103 4.320 0.000 0.000 0.215 124 A C 2.046 179.651 177.584 0.035 0.000 1.195 124 A CA 1.909 53.972 52.037 0.043 0.000 0.616 124 A CB -0.751 18.312 19.000 0.105 0.000 0.832 124 A HN 0.665 nan 8.150 nan 0.000 0.443 125 E N -0.434 119.781 120.200 0.025 0.000 2.086 125 E HA -0.296 4.054 4.350 0.000 0.000 0.200 125 E C 2.051 178.665 176.600 0.024 0.000 1.012 125 E CA 1.682 58.096 56.400 0.023 0.000 0.812 125 E CB -0.173 29.536 29.700 0.015 0.000 0.743 125 E HN 0.751 nan 8.360 nan 0.000 0.453 126 E N 0.253 120.463 120.200 0.017 0.000 2.023 126 E HA -0.311 4.039 4.350 0.000 0.000 0.196 126 E C 2.233 178.849 176.600 0.026 0.000 1.003 126 E CA 1.630 58.041 56.400 0.018 0.000 0.809 126 E CB -0.158 29.548 29.700 0.010 0.000 0.755 126 E HN 0.303 nan 8.360 nan 0.000 0.449 127 Q N 0.452 120.268 119.800 0.026 0.000 2.133 127 Q HA -0.221 4.119 4.340 0.000 0.000 0.208 127 Q C 2.201 178.225 176.000 0.040 0.000 0.991 127 Q CA 2.197 58.019 55.803 0.031 0.000 0.867 127 Q CB -0.207 28.550 28.738 0.032 0.000 0.911 127 Q HN 0.420 nan 8.270 nan 0.000 0.417 128 I N 0.077 120.672 120.570 0.041 0.000 2.142 128 I HA -0.306 3.864 4.170 0.000 0.000 0.240 128 I C 2.491 178.655 176.117 0.079 0.000 1.078 128 I CA 1.498 62.827 61.300 0.048 0.000 1.343 128 I CB -0.380 37.639 38.000 0.033 0.000 1.046 128 I HN 0.250 nan 8.210 nan 0.000 0.405 129 R N 0.678 121.223 120.500 0.076 0.000 2.120 129 R HA -0.151 4.189 4.340 0.000 0.000 0.234 129 R C 1.693 178.039 176.300 0.077 0.000 1.123 129 R CA 1.345 57.505 56.100 0.099 0.000 0.975 129 R CB -0.407 29.932 30.300 0.065 0.000 0.866 129 R HN 0.458 nan 8.270 nan 0.000 0.446 130 D N 0.741 121.172 120.400 0.052 0.000 2.183 130 D HA -0.056 4.584 4.640 0.000 0.000 0.203 130 D C 1.772 178.099 176.300 0.046 0.000 0.969 130 D CA 1.159 55.179 54.000 0.034 0.000 0.842 130 D CB 0.016 40.831 40.800 0.026 0.000 0.957 130 D HN 0.239 nan 8.370 nan 0.000 0.484 131 A N 0.550 123.412 122.820 0.070 0.000 1.968 131 A HA -0.186 4.134 4.320 0.000 0.000 0.217 131 A C 1.999 179.659 177.584 0.127 0.000 1.169 131 A CA 1.304 53.389 52.037 0.081 0.000 0.638 131 A CB -0.604 18.442 19.000 0.077 0.000 0.812 131 A HN 0.206 nan 8.150 nan 0.000 0.446 132 H N 0.125 119.206 119.070 0.018 0.000 2.428 132 H HA 0.047 4.603 4.556 0.000 0.000 0.296 132 H C 1.771 177.107 175.328 0.013 0.000 1.062 132 H CA 1.755 57.813 56.048 0.016 0.000 1.350 132 H CB -0.143 29.627 29.762 0.013 0.000 1.403 132 H HN 0.595 nan 8.280 nan 0.000 0.533 133 E N -0.196 119.958 120.200 -0.077 0.000 2.077 133 E HA -0.103 4.247 4.350 0.000 0.000 0.193 133 E C 2.197 178.757 176.600 -0.067 0.000 0.989 133 E CA 0.909 57.227 56.400 -0.136 0.000 0.800 133 E CB -0.108 29.552 29.700 -0.068 0.000 0.746 133 E HN 0.565 nan 8.360 nan 0.000 0.452 134 A N 0.229 123.044 122.820 -0.009 0.000 2.119 134 A HA 0.087 4.407 4.320 0.000 0.000 0.217 134 A C 1.720 179.318 177.584 0.023 0.000 1.153 134 A CA 1.083 53.125 52.037 0.009 0.000 0.692 134 A CB -0.413 18.602 19.000 0.024 0.000 0.799 134 A HN 0.367 nan 8.150 nan 0.000 0.458 135 G N -0.672 108.156 108.800 0.047 0.000 2.182 135 G HA2 -0.180 3.780 3.960 0.000 0.000 0.248 135 G HA3 -0.180 3.780 3.960 0.000 0.000 0.248 135 G C -0.068 174.881 174.900 0.082 0.000 1.042 135 G CA 0.384 45.531 45.100 0.079 0.000 0.775 135 G HN 0.489 nan 8.290 nan 0.000 0.501 136 D N -0.711 119.742 120.400 0.088 0.000 2.469 136 D HA 0.131 4.771 4.640 0.000 0.000 0.215 136 D C 0.940 177.292 176.300 0.086 0.000 1.154 136 D CA -0.378 53.668 54.000 0.076 0.000 0.832 136 D CB 0.767 41.607 40.800 0.067 0.000 1.008 136 D HN 0.409 nan 8.370 nan 0.000 0.506 137 L N 2.107 123.390 121.223 0.101 0.000 2.433 137 L HA 0.399 4.739 4.340 0.000 0.000 0.275 137 L C 0.610 177.513 176.870 0.055 0.000 1.128 137 L CA 0.043 54.928 54.840 0.076 0.000 0.875 137 L CB 0.681 42.770 42.059 0.050 0.000 1.171 137 L HN -0.077 nan 8.230 nan 0.000 0.463 138 G N 3.750 112.599 108.800 0.082 0.000 2.502 138 G HA2 0.289 4.249 3.960 0.000 0.000 0.305 138 G HA3 0.289 4.249 3.960 0.000 0.000 0.305 138 G C -0.631 174.302 174.900 0.054 0.000 1.190 138 G CA -0.254 44.887 45.100 0.069 0.000 0.933 138 G HN 0.867 nan 8.290 nan 0.000 0.503 139 D N -1.062 119.337 120.400 -0.001 0.000 2.404 139 D HA -0.073 4.567 4.640 0.000 0.000 0.229 139 D C -0.244 176.075 176.300 0.031 0.000 1.292 139 D CA 0.625 54.605 54.000 -0.034 0.000 0.887 139 D CB 0.344 41.086 40.800 -0.096 0.000 1.246 139 D HN 0.190 nan 8.370 nan 0.000 0.524 140 L N -0.001 121.203 121.223 -0.032 0.000 2.385 140 L HA 0.570 4.910 4.340 0.000 0.000 0.273 140 L C 0.302 177.120 176.870 -0.087 0.000 0.990 140 L CA -0.899 53.934 54.840 -0.013 0.000 0.821 140 L CB 1.834 43.858 42.059 -0.058 0.000 1.279 140 L HN 0.330 nan 8.230 nan 0.000 0.412 141 R N 3.309 123.789 120.500 -0.033 0.000 2.795 141 R HA 0.763 5.103 4.340 0.000 0.000 0.275 141 R C -1.436 174.799 176.300 -0.109 0.000 0.981 141 R CA -0.955 55.077 56.100 -0.113 0.000 0.917 141 R CB 2.488 32.753 30.300 -0.058 0.000 1.202 141 R HN 0.441 nan 8.270 nan 0.000 0.469 142 L N 2.719 123.852 121.223 -0.150 0.000 2.307 142 L HA 0.459 4.799 4.340 0.000 0.000 0.284 142 L C -0.085 176.707 176.870 -0.131 0.000 1.023 142 L CA -1.098 53.641 54.840 -0.168 0.000 0.810 142 L CB 1.285 43.223 42.059 -0.201 0.000 1.231 142 L HN 0.355 nan 8.230 nan 0.000 0.423 143 I N 2.252 122.712 120.570 -0.184 0.000 2.471 143 I HA 0.185 4.355 4.170 0.000 0.000 0.286 143 I C 0.437 176.509 176.117 -0.075 0.000 1.079 143 I CA 0.509 61.731 61.300 -0.131 0.000 1.398 143 I CB 0.761 38.601 38.000 -0.265 0.000 1.403 143 I HN 0.627 nan 8.210 nan 0.000 0.530 144 T N 6.205 120.770 114.554 0.019 0.000 2.916 144 T HA 0.593 4.943 4.350 0.000 0.000 0.292 144 T C -0.422 174.344 174.700 0.111 0.000 1.055 144 T CA -0.530 61.599 62.100 0.048 0.000 1.009 144 T CB 2.378 71.285 68.868 0.065 0.000 1.118 144 T HN 0.738 nan 8.240 nan 0.000 0.497 145 H N -0.920 118.192 119.070 0.069 0.000 3.017 145 H HA 0.647 5.203 4.556 0.000 0.000 0.346 145 H C -1.151 174.188 175.328 0.017 0.000 1.286 145 H CA -0.870 55.210 56.048 0.053 0.000 1.120 145 H CB 1.206 31.018 29.762 0.084 0.000 1.860 145 H HN 0.719 nan 8.280 nan 0.000 0.542 146 T N -1.026 113.582 114.554 0.091 0.000 2.937 146 T HA 0.504 4.854 4.350 0.000 0.000 0.283 146 T C 0.004 174.791 174.700 0.145 0.000 1.012 146 T CA -0.813 61.302 62.100 0.024 0.000 0.997 146 T CB 1.467 70.410 68.868 0.124 0.000 1.136 146 T HN 0.352 nan 8.240 nan 0.000 0.551 147 V N 2.527 122.457 119.914 0.026 0.000 2.233 147 V HA 0.267 4.387 4.120 0.000 0.000 0.261 147 V C -1.813 174.275 176.094 -0.010 0.000 1.076 147 V CA -1.588 60.666 62.300 -0.078 0.000 1.001 147 V CB 0.191 31.903 31.823 -0.184 0.000 1.206 147 V HN 0.705 nan 8.190 nan 0.000 0.468 148 P HA -0.207 nan 4.420 nan 0.000 0.217 148 P C 1.431 178.669 177.300 -0.104 0.000 1.151 148 P CA 1.424 64.424 63.100 -0.167 0.000 0.849 148 P CB 0.381 32.004 31.700 -0.129 0.000 0.787 149 D N -0.737 119.662 120.400 -0.003 0.000 2.133 149 D HA -0.184 4.456 4.640 0.000 0.000 0.195 149 D C 1.866 178.182 176.300 0.028 0.000 0.997 149 D CA 1.553 55.577 54.000 0.040 0.000 0.840 149 D CB -0.746 40.143 40.800 0.147 0.000 0.947 149 D HN 0.025 nan 8.370 nan 0.000 0.452 150 A N -0.438 122.401 122.820 0.031 0.000 2.125 150 A HA -0.015 4.305 4.320 0.000 0.000 0.219 150 A C 0.916 178.517 177.584 0.028 0.000 1.156 150 A CA 0.722 52.784 52.037 0.041 0.000 0.671 150 A CB 0.064 19.092 19.000 0.047 0.000 0.794 150 A HN 0.123 nan 8.150 nan 0.000 0.459 151 V N 0.521 120.423 119.914 -0.019 0.000 2.293 151 V HA 0.192 4.312 4.120 0.000 0.000 0.275 151 V C -1.795 174.257 176.094 -0.070 0.000 1.021 151 V CA -1.113 61.172 62.300 -0.026 0.000 0.815 151 V CB 1.247 33.034 31.823 -0.061 0.000 1.025 151 V HN 0.166 nan 8.190 nan 0.000 0.448 152 P HA -0.121 nan 4.420 nan 0.000 0.215 152 P C 1.769 178.986 177.300 -0.137 0.000 1.157 152 P CA 1.371 64.431 63.100 -0.068 0.000 0.874 152 P CB 0.235 31.913 31.700 -0.037 0.000 0.790 153 S N -1.064 114.505 115.700 -0.218 0.000 2.419 153 S HA -0.058 4.412 4.470 0.000 0.000 0.235 153 S C 0.957 175.313 174.600 -0.407 0.000 1.019 153 S CA 0.687 58.613 58.200 -0.457 0.000 0.982 153 S CB -0.747 61.831 63.200 -1.036 0.000 0.789 153 S HN -0.043 nan 8.310 nan 0.000 0.490 154 V N 3.426 123.182 119.914 -0.263 0.000 2.353 154 V HA 0.163 4.283 4.120 0.000 0.000 0.264 154 V C -1.498 174.504 176.094 -0.153 0.000 1.049 154 V CA -1.574 60.609 62.300 -0.195 0.000 0.896 154 V CB 0.915 32.560 31.823 -0.297 0.000 1.025 154 V HN 0.130 nan 8.190 nan 0.000 0.475 155 P HA -0.179 nan 4.420 nan 0.000 0.215 155 P C 0.479 177.746 177.300 -0.055 0.000 1.163 155 P CA 1.111 64.172 63.100 -0.066 0.000 0.894 155 P CB 0.015 31.690 31.700 -0.042 0.000 0.791 156 K N 0.320 120.689 120.400 -0.051 0.000 2.518 156 K HA -0.031 4.289 4.320 0.000 0.000 0.276 156 K C 0.414 176.993 176.600 -0.035 0.000 0.974 156 K CA 0.628 56.899 56.287 -0.028 0.000 0.986 156 K CB 0.531 33.031 32.500 -0.001 0.000 0.901 156 K HN 0.053 nan 8.250 nan 0.000 0.497 157 K N 0.989 121.391 120.400 0.004 0.000 2.424 157 K HA 0.032 4.352 4.320 0.000 0.000 0.198 157 K C 0.068 176.705 176.600 0.061 0.000 1.190 157 K CA -0.193 56.113 56.287 0.032 0.000 0.935 157 K CB 0.509 33.031 32.500 0.038 0.000 1.087 157 K HN 0.506 nan 8.250 nan 0.000 0.524 158 K N 3.377 123.806 120.400 0.048 0.000 2.430 158 K HA 0.043 4.363 4.320 0.000 0.000 0.280 158 K C -2.618 174.031 176.600 0.080 0.000 1.063 158 K CA -1.292 55.028 56.287 0.055 0.000 1.071 158 K CB 0.352 32.878 32.500 0.043 0.000 0.899 158 K HN -0.192 nan 8.250 nan 0.000 0.473 159 P HA 0.073 nan 4.420 nan 0.000 0.275 159 P C -1.240 176.147 177.300 0.144 0.000 1.228 159 P CA -0.188 62.998 63.100 0.143 0.000 0.786 159 P CB 0.630 32.406 31.700 0.127 0.000 0.927 160 D N 1.412 121.924 120.400 0.186 0.000 2.274 160 D HA 0.207 4.847 4.640 0.000 0.000 0.239 160 D C -0.361 176.027 176.300 0.146 0.000 1.104 160 D CA -0.058 54.026 54.000 0.139 0.000 0.840 160 D CB 1.110 41.980 40.800 0.116 0.000 1.100 160 D HN -0.006 nan 8.370 nan 0.000 0.477 161 V N 4.538 124.530 119.914 0.129 0.000 2.394 161 V HA 0.465 4.585 4.120 0.000 0.000 0.282 161 V C 0.409 176.569 176.094 0.110 0.000 1.031 161 V CA -0.490 61.898 62.300 0.147 0.000 0.881 161 V CB 1.163 33.073 31.823 0.144 0.000 0.982 161 V HN 0.485 nan 8.190 nan 0.000 0.451 162 M N 2.757 122.424 119.600 0.112 0.000 2.371 162 M HA 0.633 5.113 4.480 0.000 0.000 0.287 162 M C -0.964 175.420 176.300 0.141 0.000 1.149 162 M CA -0.618 54.754 55.300 0.120 0.000 0.929 162 M CB 2.052 34.719 32.600 0.111 0.000 1.683 162 M HN 0.647 nan 8.290 nan 0.000 0.470 163 E N 1.716 122.018 120.200 0.170 0.000 2.316 163 E HA 0.459 4.809 4.350 0.000 0.000 0.275 163 E C -1.119 175.625 176.600 0.239 0.000 1.029 163 E CA 0.154 56.653 56.400 0.165 0.000 0.871 163 E CB 1.032 30.847 29.700 0.191 0.000 1.022 163 E HN 0.742 nan 8.360 nan 0.000 0.418 164 T N 4.348 118.941 114.554 0.066 0.000 2.848 164 T HA 0.280 4.630 4.350 0.000 0.000 0.285 164 T C -0.382 174.012 174.700 -0.509 0.000 0.995 164 T CA -0.666 61.367 62.100 -0.110 0.000 0.970 164 T CB 1.254 70.148 68.868 0.044 0.000 0.976 164 T HN 0.476 nan 8.240 nan 0.000 0.441 165 R N 1.886 121.608 120.500 -1.297 0.000 2.594 165 R HA 0.482 4.822 4.340 0.000 0.000 0.272 165 R C -1.040 174.903 176.300 -0.596 0.000 1.074 165 R CA -0.209 55.237 56.100 -1.091 0.000 1.105 165 R CB 0.357 29.533 30.300 -1.873 0.000 1.008 165 R HN 0.402 nan 8.270 nan 0.000 0.472 166 V N 3.791 123.479 119.914 -0.377 0.000 2.325 166 V HA 0.384 4.504 4.120 0.000 0.000 0.280 166 V C 0.269 176.264 176.094 -0.165 0.000 1.016 166 V CA -0.592 61.577 62.300 -0.219 0.000 0.818 166 V CB 1.333 33.062 31.823 -0.155 0.000 1.019 166 V HN 0.939 nan 8.190 nan 0.000 0.434 167 G N 2.667 111.381 108.800 -0.143 0.000 2.322 167 G HA2 0.704 4.664 3.960 0.000 0.000 0.309 167 G HA3 0.704 4.664 3.960 0.000 0.000 0.309 167 G C 0.030 174.886 174.900 -0.074 0.000 1.121 167 G CA 0.103 45.143 45.100 -0.101 0.000 0.886 167 G HN 0.951 nan 8.290 nan 0.000 0.447 168 G N 0.325 109.086 108.800 -0.065 0.000 2.975 168 G HA2 0.623 4.583 3.960 0.000 0.000 0.291 168 G HA3 0.623 4.583 3.960 0.000 0.000 0.291 168 G C 0.803 175.666 174.900 -0.061 0.000 1.334 168 G CA 0.274 45.334 45.100 -0.068 0.000 0.843 168 G HN 0.860 nan 8.290 nan 0.000 0.548 169 G N 0.214 108.975 108.800 -0.065 0.000 2.879 169 G HA2 0.225 4.185 3.960 0.000 0.000 0.200 169 G HA3 0.225 4.185 3.960 0.000 0.000 0.200 169 G C 1.291 176.171 174.900 -0.034 0.000 1.437 169 G CA 1.921 46.992 45.100 -0.048 0.000 0.835 169 G HN 1.582 nan 8.290 nan 0.000 0.640 170 S N -0.687 114.998 115.700 -0.024 0.000 2.681 170 S HA 0.330 4.800 4.470 0.000 0.000 0.270 170 S C 1.589 176.171 174.600 -0.029 0.000 1.209 170 S CA 0.187 58.381 58.200 -0.010 0.000 0.988 170 S CB 1.504 64.714 63.200 0.016 0.000 1.006 170 S HN 0.956 nan 8.310 nan 0.000 0.558 171 V N -0.815 119.073 119.914 -0.043 0.000 2.323 171 V HA -0.048 4.072 4.120 0.000 0.000 0.244 171 V C 2.380 178.389 176.094 -0.141 0.000 1.041 171 V CA 1.775 63.989 62.300 -0.144 0.000 1.025 171 V CB -1.900 29.747 31.823 -0.294 0.000 0.656 171 V HN 0.815 nan 8.190 nan 0.000 0.451 172 S N 0.488 116.179 115.700 -0.016 0.000 2.353 172 S HA -0.237 4.233 4.470 0.000 0.000 0.222 172 S C 1.848 176.465 174.600 0.028 0.000 1.035 172 S CA 1.980 60.227 58.200 0.077 0.000 1.025 172 S CB -0.650 62.664 63.200 0.190 0.000 0.902 172 S HN 0.696 nan 8.310 nan 0.000 0.440 173 D N 1.091 121.503 120.400 0.019 0.000 2.092 173 D HA -0.150 4.490 4.640 0.000 0.000 0.193 173 D C 2.235 178.544 176.300 0.014 0.000 0.994 173 D CA 1.322 55.327 54.000 0.009 0.000 0.828 173 D CB -0.165 40.629 40.800 -0.009 0.000 0.963 173 D HN 0.509 nan 8.370 nan 0.000 0.450 174 R N 1.094 121.592 120.500 -0.003 0.000 2.189 174 R HA 0.007 4.347 4.340 0.000 0.000 0.218 174 R C 2.537 178.848 176.300 0.019 0.000 1.074 174 R CA 0.475 56.593 56.100 0.029 0.000 0.991 174 R CB -0.750 29.545 30.300 -0.008 0.000 0.883 174 R HN 0.189 nan 8.270 nan 0.000 0.457 175 L N 1.257 122.464 121.223 -0.027 0.000 2.017 175 L HA -0.192 4.148 4.340 0.000 0.000 0.208 175 L C 1.431 178.290 176.870 -0.017 0.000 1.073 175 L CA 1.868 56.682 54.840 -0.043 0.000 0.745 175 L CB -0.351 41.671 42.059 -0.061 0.000 0.894 175 L HN 0.239 nan 8.230 nan 0.000 0.432 176 D N -0.965 119.442 120.400 0.011 0.000 2.078 176 D HA -0.281 4.359 4.640 0.000 0.000 0.193 176 D C 1.965 178.281 176.300 0.028 0.000 0.990 176 D CA 1.778 55.790 54.000 0.020 0.000 0.827 176 D CB -0.437 40.382 40.800 0.032 0.000 0.975 176 D HN 0.506 nan 8.370 nan 0.000 0.451 177 H N 1.227 120.268 119.070 -0.047 0.000 2.400 177 H HA -0.164 4.392 4.556 0.000 0.000 0.295 177 H C 1.777 177.064 175.328 -0.068 0.000 1.118 177 H CA 2.195 58.209 56.048 -0.056 0.000 1.256 177 H CB -0.331 29.392 29.762 -0.065 0.000 1.365 177 H HN 0.107 nan 8.280 nan 0.000 0.502 178 A N 0.604 123.321 122.820 -0.171 0.000 1.835 178 A HA -0.116 4.204 4.320 0.000 0.000 0.215 178 A C 2.730 180.198 177.584 -0.193 0.000 1.199 178 A CA 1.624 53.520 52.037 -0.236 0.000 0.615 178 A CB -1.095 17.820 19.000 -0.143 0.000 0.838 178 A HN 0.459 nan 8.150 nan 0.000 0.444 179 L N -0.304 120.853 121.223 -0.111 0.000 2.021 179 L HA -0.285 4.055 4.340 0.000 0.000 0.215 179 L C 2.323 179.144 176.870 -0.082 0.000 1.074 179 L CA 1.799 56.593 54.840 -0.076 0.000 0.760 179 L CB -0.933 41.103 42.059 -0.037 0.000 0.889 179 L HN 0.407 nan 8.230 nan 0.000 0.433 180 D N 0.263 120.613 120.400 -0.084 0.000 2.092 180 D HA -0.187 4.453 4.640 0.000 0.000 0.193 180 D C 2.263 178.501 176.300 -0.104 0.000 0.994 180 D CA 1.496 55.455 54.000 -0.070 0.000 0.828 180 D CB -0.185 40.593 40.800 -0.036 0.000 0.963 180 D HN 0.338 nan 8.370 nan 0.000 0.450 181 I N 0.942 121.395 120.570 -0.194 0.000 2.068 181 I HA -0.300 3.870 4.170 0.000 0.000 0.238 181 I C 2.593 178.634 176.117 -0.127 0.000 1.046 181 I CA 0.960 62.144 61.300 -0.193 0.000 1.306 181 I CB -0.733 37.076 38.000 -0.319 0.000 1.023 181 I HN -0.098 nan 8.210 nan 0.000 0.399 182 V N 0.955 120.786 119.914 -0.137 0.000 2.215 182 V HA -0.324 3.796 4.120 0.000 0.000 0.249 182 V C 2.549 178.613 176.094 -0.050 0.000 1.054 182 V CA 2.206 64.451 62.300 -0.093 0.000 1.012 182 V CB -0.903 30.861 31.823 -0.097 0.000 0.639 182 V HN 0.435 nan 8.190 nan 0.000 0.448 183 E N 0.313 120.489 120.200 -0.040 0.000 2.149 183 E HA -0.293 4.057 4.350 0.000 0.000 0.215 183 E C 1.816 178.402 176.600 -0.022 0.000 1.055 183 E CA 2.008 58.395 56.400 -0.021 0.000 0.870 183 E CB -0.862 28.827 29.700 -0.018 0.000 0.764 183 E HN 0.705 nan 8.360 nan 0.000 0.463 184 D N -0.817 119.569 120.400 -0.024 0.000 2.240 184 D HA -0.151 4.489 4.640 0.000 0.000 0.204 184 D C 1.664 177.958 176.300 -0.010 0.000 1.018 184 D CA 2.154 56.147 54.000 -0.013 0.000 0.887 184 D CB -0.255 40.540 40.800 -0.008 0.000 1.087 184 D HN 0.444 nan 8.370 nan 0.000 0.464 185 G N -2.926 105.874 108.800 0.001 0.000 3.988 185 G HA2 0.331 4.291 3.960 0.000 0.000 0.195 185 G HA3 0.331 4.291 3.960 0.000 0.000 0.195 185 G C 0.969 175.897 174.900 0.046 0.000 1.060 185 G CA 0.715 45.825 45.100 0.016 0.000 0.847 185 G HN 0.613 nan 8.290 nan 0.000 0.515 186 G N 0.435 109.250 108.800 0.024 0.000 2.234 186 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 186 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 186 G C 0.253 175.232 174.900 0.132 0.000 0.987 186 G CA 0.750 45.865 45.100 0.025 0.000 0.625 186 G HN 0.883 nan 8.290 nan 0.000 0.532 187 E N 1.976 122.259 120.200 0.138 0.000 2.498 187 E HA 0.314 4.664 4.350 0.000 0.000 0.252 187 E C 0.632 177.377 176.600 0.242 0.000 1.025 187 E CA 0.089 56.597 56.400 0.180 0.000 0.938 187 E CB 0.058 29.819 29.700 0.103 0.000 0.947 187 E HN 0.697 nan 8.360 nan 0.000 0.478 188 H N 1.474 120.586 119.070 0.070 0.000 2.990 188 H HA 0.803 5.359 4.556 0.000 0.000 0.343 188 H C -1.593 173.804 175.328 0.115 0.000 1.270 188 H CA -0.940 55.149 56.048 0.068 0.000 1.118 188 H CB 1.096 30.901 29.762 0.072 0.000 1.861 188 H HN 0.431 nan 8.280 nan 0.000 0.544 189 A N 0.938 123.698 122.820 -0.100 0.000 2.569 189 A HA 0.441 4.761 4.320 0.000 0.000 0.290 189 A C 1.017 178.145 177.584 -0.760 0.000 1.136 189 A CA -0.415 51.398 52.037 -0.374 0.000 0.710 189 A CB 1.723 20.613 19.000 -0.184 0.000 1.303 189 A HN 0.778 nan 8.150 nan 0.000 0.413 190 M N 0.855 119.785 119.600 -1.117 0.000 2.195 190 M HA -0.190 4.290 4.480 0.000 0.000 0.260 190 M C 1.198 177.270 176.300 -0.379 0.000 1.066 190 M CA 2.166 56.923 55.300 -0.905 0.000 1.089 190 M CB -0.362 31.864 32.600 -0.623 0.000 1.377 190 M HN 0.770 nan 8.290 nan 0.000 0.411 191 N N 0.444 118.970 118.700 -0.290 0.000 2.188 191 N HA -0.143 4.597 4.740 0.000 0.000 0.184 191 N C 1.045 176.463 175.510 -0.152 0.000 1.018 191 N CA 1.576 54.520 53.050 -0.176 0.000 0.858 191 N CB -0.611 37.793 38.487 -0.139 0.000 0.989 191 N HN 0.469 nan 8.380 nan 0.000 0.426 192 D N 0.383 120.685 120.400 -0.163 0.000 2.310 192 D HA 0.000 4.640 4.640 0.000 0.000 0.212 192 D C 1.810 178.028 176.300 -0.136 0.000 0.965 192 D CA 0.583 54.519 54.000 -0.107 0.000 0.879 192 D CB 0.235 41.012 40.800 -0.038 0.000 0.921 192 D HN 0.411 nan 8.370 nan 0.000 0.510 193 I N -1.854 118.593 120.570 -0.204 0.000 3.812 193 I HA 0.069 4.239 4.170 0.000 0.000 0.292 193 I C 0.098 175.855 176.117 -0.600 0.000 1.206 193 I CA 0.123 61.203 61.300 -0.367 0.000 1.370 193 I CB 0.471 38.264 38.000 -0.345 0.000 1.328 193 I HN -0.239 nan 8.210 nan 0.000 0.453 194 F N 0.957 120.806 119.950 -0.169 0.000 2.556 194 F HA 0.603 5.130 4.527 0.000 0.000 0.327 194 F C 0.215 175.926 175.800 -0.147 0.000 1.059 194 F CA -0.850 57.063 58.000 -0.145 0.000 0.953 194 F CB 1.256 40.149 39.000 -0.179 0.000 1.227 194 F HN -0.195 nan 8.300 nan 0.000 0.478 195 R N 1.284 121.820 120.500 0.060 0.000 2.621 195 R HA 0.795 5.135 4.340 0.000 0.000 0.292 195 R C -1.321 174.973 176.300 -0.010 0.000 0.969 195 R CA -0.688 55.407 56.100 -0.009 0.000 0.887 195 R CB 1.523 31.802 30.300 -0.034 0.000 1.180 195 R HN 0.807 nan 8.270 nan 0.000 0.450 196 A N 2.435 125.231 122.820 -0.041 0.000 2.566 196 A HA 0.415 4.735 4.320 0.000 0.000 0.245 196 A C 1.218 178.764 177.584 -0.063 0.000 1.056 196 A CA 1.119 53.124 52.037 -0.054 0.000 0.757 196 A CB -0.676 18.291 19.000 -0.056 0.000 0.979 196 A HN 1.448 nan 8.150 nan 0.000 0.508 197 G N 1.995 110.737 108.800 -0.098 0.000 2.481 197 G HA2 -0.154 3.806 3.960 0.000 0.000 0.200 197 G HA3 -0.154 3.806 3.960 0.000 0.000 0.200 197 G C 0.141 174.889 174.900 -0.253 0.000 1.012 197 G CA 0.134 45.146 45.100 -0.147 0.000 0.676 197 G HN 0.803 nan 8.290 nan 0.000 0.488 198 E N -0.198 119.911 120.200 -0.152 0.000 2.409 198 E HA 0.483 4.833 4.350 0.000 0.000 0.257 198 E C -0.695 175.778 176.600 -0.211 0.000 1.150 198 E CA -0.242 56.086 56.400 -0.120 0.000 0.942 198 E CB 0.585 30.319 29.700 0.057 0.000 0.979 198 E HN 0.407 nan 8.360 nan 0.000 0.447 199 Y N -0.175 120.194 120.300 0.114 0.000 2.342 199 Y HA 0.511 5.061 4.550 0.000 0.000 0.334 199 Y C 0.211 176.213 175.900 0.171 0.000 1.067 199 Y CA -0.673 57.496 58.100 0.115 0.000 1.128 199 Y CB 1.709 40.218 38.460 0.082 0.000 1.200 199 Y HN 0.474 nan 8.280 nan 0.000 0.464 200 A N 2.128 125.141 122.820 0.322 0.000 2.469 200 A HA 0.625 4.945 4.320 0.000 0.000 0.299 200 A C -1.542 176.182 177.584 0.233 0.000 1.098 200 A CA -0.930 51.292 52.037 0.308 0.000 0.737 200 A CB 1.169 20.319 19.000 0.250 0.000 1.312 200 A HN 0.632 nan 8.150 nan 0.000 0.414 201 D N 1.128 121.654 120.400 0.210 0.000 2.280 201 D HA 0.444 5.084 4.640 0.000 0.000 0.236 201 D C -0.778 175.631 176.300 0.183 0.000 1.082 201 D CA 0.099 54.200 54.000 0.169 0.000 0.834 201 D CB 1.753 42.645 40.800 0.153 0.000 1.100 201 D HN 0.137 nan 8.370 nan 0.000 0.486 202 V N 2.218 122.164 119.914 0.053 0.000 2.350 202 V HA 0.571 4.691 4.120 0.000 0.000 0.276 202 V C 0.496 176.516 176.094 -0.123 0.000 1.028 202 V CA -0.635 61.586 62.300 -0.131 0.000 0.860 202 V CB 1.060 32.733 31.823 -0.249 0.000 0.990 202 V HN 0.639 nan 8.190 nan 0.000 0.453 203 A N 3.955 126.650 122.820 -0.208 0.000 2.281 203 A HA 1.032 5.352 4.320 0.000 0.000 0.329 203 A C 0.327 177.710 177.584 -0.335 0.000 1.122 203 A CA 0.047 51.887 52.037 -0.329 0.000 0.850 203 A CB 1.629 20.198 19.000 -0.718 0.000 1.207 203 A HN 1.310 nan 8.150 nan 0.000 0.495 204 G N -1.525 107.106 108.800 -0.281 0.000 2.466 204 G HA2 0.502 4.462 3.960 0.000 0.000 0.291 204 G HA3 0.502 4.462 3.960 0.000 0.000 0.291 204 G C -1.815 172.957 174.900 -0.214 0.000 1.460 204 G CA -0.423 44.529 45.100 -0.247 0.000 0.791 204 G HN 1.029 nan 8.290 nan 0.000 0.505 205 V N 2.252 122.032 119.914 -0.222 0.000 2.334 205 V HA 0.445 4.565 4.120 0.000 0.000 0.267 205 V C 1.275 177.249 176.094 -0.200 0.000 1.040 205 V CA 0.044 62.182 62.300 -0.270 0.000 0.866 205 V CB 0.496 32.057 31.823 -0.437 0.000 1.019 205 V HN 1.185 nan 8.190 nan 0.000 0.468 206 T N 3.100 117.564 114.554 -0.151 0.000 2.709 206 T HA 0.023 4.373 4.350 0.000 0.000 0.345 206 T C 0.211 174.871 174.700 -0.066 0.000 1.086 206 T CA -0.282 61.756 62.100 -0.104 0.000 1.084 206 T CB 0.163 68.975 68.868 -0.093 0.000 1.000 206 T HN 0.585 nan 8.240 nan 0.000 0.549 207 K N 1.432 121.804 120.400 -0.048 0.000 2.412 207 K HA 0.322 4.642 4.320 0.000 0.000 0.284 207 K C 0.997 177.584 176.600 -0.022 0.000 1.046 207 K CA -0.097 56.182 56.287 -0.014 0.000 0.999 207 K CB 0.228 32.712 32.500 -0.028 0.000 0.941 207 K HN 0.793 nan 8.250 nan 0.000 0.474 208 G N 2.414 111.233 108.800 0.032 0.000 2.442 208 G HA2 0.013 3.973 3.960 0.000 0.000 0.249 208 G HA3 0.013 3.973 3.960 0.000 0.000 0.249 208 G C 0.057 174.920 174.900 -0.062 0.000 1.263 208 G CA -0.388 44.701 45.100 -0.018 0.000 0.846 208 G HN 0.655 nan 8.290 nan 0.000 0.555 209 K N 1.371 121.722 120.400 -0.082 0.000 2.483 209 K HA 0.333 4.653 4.320 0.000 0.000 0.206 209 K C 1.248 177.814 176.600 -0.057 0.000 1.086 209 K CA 0.132 56.380 56.287 -0.065 0.000 1.052 209 K CB 1.020 33.482 32.500 -0.065 0.000 0.904 209 K HN 0.977 nan 8.250 nan 0.000 0.557 210 G N 1.958 110.719 108.800 -0.066 0.000 2.562 210 G HA2 -0.333 3.627 3.960 0.000 0.000 0.250 210 G HA3 -0.333 3.627 3.960 0.000 0.000 0.250 210 G C -0.060 174.826 174.900 -0.023 0.000 1.269 210 G CA -0.053 45.018 45.100 -0.048 0.000 0.919 210 G HN 0.252 nan 8.290 nan 0.000 0.574 211 T N -1.037 113.511 114.554 -0.009 0.000 2.856 211 T HA 0.694 5.044 4.350 0.000 0.000 0.292 211 T C -0.238 174.468 174.700 0.009 0.000 0.980 211 T CA -0.151 61.956 62.100 0.011 0.000 1.091 211 T CB 1.947 70.826 68.868 0.017 0.000 0.936 211 T HN 0.768 nan 8.240 nan 0.000 0.503 212 Q N 1.175 120.986 119.800 0.020 0.000 2.495 212 Q HA 0.574 4.914 4.340 0.000 0.000 0.287 212 Q C 0.311 176.340 176.000 0.048 0.000 1.078 212 Q CA -0.809 55.005 55.803 0.018 0.000 0.793 212 Q CB 2.098 30.833 28.738 -0.004 0.000 1.459 212 Q HN 0.993 nan 8.270 nan 0.000 0.422 213 G N 0.714 109.544 108.800 0.051 0.000 2.634 213 G HA2 0.282 4.242 3.960 0.000 0.000 0.255 213 G HA3 0.282 4.242 3.960 0.000 0.000 0.255 213 G C -1.822 173.153 174.900 0.124 0.000 1.205 213 G CA -0.826 44.322 45.100 0.080 0.000 0.884 213 G HN 0.325 nan 8.290 nan 0.000 0.549 214 P HA -0.060 nan 4.420 nan 0.000 0.217 214 P C 2.121 179.551 177.300 0.218 0.000 1.151 214 P CA 0.235 63.510 63.100 0.292 0.000 0.828 214 P CB 0.110 31.939 31.700 0.214 0.000 0.788 215 V N 0.812 120.805 119.914 0.132 0.000 2.219 215 V HA -0.312 3.808 4.120 0.000 0.000 0.248 215 V C 2.544 178.680 176.094 0.070 0.000 1.053 215 V CA 2.222 64.579 62.300 0.094 0.000 1.009 215 V CB -0.978 30.886 31.823 0.068 0.000 0.636 215 V HN 0.149 nan 8.190 nan 0.000 0.445 216 K N -0.375 120.052 120.400 0.045 0.000 2.007 216 K HA -0.173 4.147 4.320 0.000 0.000 0.206 216 K C 2.460 179.038 176.600 -0.038 0.000 1.047 216 K CA 1.467 57.756 56.287 0.004 0.000 0.937 216 K CB -0.193 32.303 32.500 -0.006 0.000 0.718 216 K HN 0.225 nan 8.250 nan 0.000 0.438 217 R N -0.894 119.578 120.500 -0.046 0.000 2.091 217 R HA -0.153 4.187 4.340 0.000 0.000 0.238 217 R C 1.039 177.054 176.300 -0.475 0.000 1.136 217 R CA 2.079 58.038 56.100 -0.234 0.000 0.959 217 R CB -0.044 30.142 30.300 -0.190 0.000 0.856 217 R HN 0.343 nan 8.270 nan 0.000 0.437 218 W N -1.694 119.609 121.300 0.005 0.000 2.871 218 W HA 0.361 5.021 4.660 0.000 0.000 0.340 218 W C 0.687 177.204 176.519 -0.004 0.000 1.058 218 W CA 0.281 57.626 57.345 -0.000 0.000 1.633 218 W CB 0.806 30.270 29.460 0.006 0.000 1.067 218 W HN 0.248 nan 8.180 nan 0.000 0.554 219 G N 1.805 110.702 108.800 0.161 0.000 2.225 219 G HA2 -0.182 3.778 3.960 0.000 0.000 0.264 219 G HA3 -0.182 3.778 3.960 0.000 0.000 0.264 219 G C -0.006 174.960 174.900 0.111 0.000 1.060 219 G CA 0.034 45.196 45.100 0.102 0.000 0.833 219 G HN 0.411 nan 8.290 nan 0.000 0.498 220 V N -2.975 117.016 119.914 0.129 0.000 3.036 220 V HA 0.728 4.848 4.120 0.000 0.000 0.308 220 V C 0.762 176.897 176.094 0.067 0.000 1.070 220 V CA -0.860 61.495 62.300 0.091 0.000 1.056 220 V CB 1.168 33.044 31.823 0.088 0.000 1.084 220 V HN 0.468 nan 8.190 nan 0.000 0.471 221 Q N 1.065 120.895 119.800 0.049 0.000 2.471 221 Q HA 0.350 4.690 4.340 0.000 0.000 0.223 221 Q C -0.458 175.573 176.000 0.051 0.000 1.045 221 Q CA -0.349 55.481 55.803 0.045 0.000 0.956 221 Q CB 0.661 29.420 28.738 0.036 0.000 1.249 221 Q HN 0.703 nan 8.270 nan 0.000 0.549 222 K N 1.048 121.480 120.400 0.052 0.000 2.095 222 K HA 0.335 4.655 4.320 0.000 0.000 0.252 222 K C -0.288 176.353 176.600 0.068 0.000 0.977 222 K CA -0.927 55.397 56.287 0.062 0.000 0.900 222 K CB 0.846 33.381 32.500 0.058 0.000 1.060 222 K HN 0.307 nan 8.250 nan 0.000 0.449 223 R N 1.982 122.535 120.500 0.088 0.000 2.585 223 R HA 0.037 4.377 4.340 0.000 0.000 0.275 223 R C 0.226 176.596 176.300 0.116 0.000 1.018 223 R CA 0.338 56.502 56.100 0.107 0.000 1.072 223 R CB 0.127 30.520 30.300 0.154 0.000 0.953 223 R HN 0.386 nan 8.270 nan 0.000 0.419 224 K N 0.794 121.279 120.400 0.141 0.000 2.210 224 K HA 0.381 4.701 4.320 0.000 0.000 0.236 224 K C 1.029 177.696 176.600 0.112 0.000 1.016 224 K CA -0.054 56.303 56.287 0.117 0.000 0.913 224 K CB 0.897 33.458 32.500 0.102 0.000 1.141 224 K HN 0.702 nan 8.250 nan 0.000 0.462 225 G N 1.530 110.354 108.800 0.041 0.000 2.660 225 G HA2 -0.433 3.527 3.960 0.000 0.000 0.338 225 G HA3 -0.433 3.527 3.960 0.000 0.000 0.338 225 G C 1.026 175.880 174.900 -0.077 0.000 1.336 225 G CA 1.353 46.436 45.100 -0.029 0.000 0.990 225 G HN 0.696 nan 8.290 nan 0.000 0.537 226 K N -0.280 119.995 120.400 -0.208 0.000 2.209 226 K HA -0.137 4.183 4.320 0.000 0.000 0.204 226 K C 2.266 178.771 176.600 -0.157 0.000 1.048 226 K CA 1.829 57.995 56.287 -0.202 0.000 0.940 226 K CB -0.242 32.099 32.500 -0.266 0.000 0.729 226 K HN 0.664 nan 8.250 nan 0.000 0.451 227 H N -0.421 118.665 119.070 0.028 0.000 2.457 227 H HA -0.025 4.531 4.556 0.000 0.000 0.294 227 H C 1.802 177.179 175.328 0.083 0.000 1.064 227 H CA 1.237 57.307 56.048 0.036 0.000 1.330 227 H CB -0.066 29.700 29.762 0.007 0.000 1.395 227 H HN 0.356 nan 8.280 nan 0.000 0.541 228 A N 0.904 123.823 122.820 0.164 0.000 2.167 228 A HA -0.044 4.276 4.320 0.000 0.000 0.214 228 A C 2.213 179.867 177.584 0.118 0.000 1.151 228 A CA 0.539 52.659 52.037 0.138 0.000 0.735 228 A CB -0.130 18.927 19.000 0.094 0.000 0.802 228 A HN 0.239 nan 8.150 nan 0.000 0.467 229 R N -0.979 119.583 120.500 0.102 0.000 2.362 229 R HA 0.102 4.442 4.340 0.000 0.000 0.227 229 R C 1.061 177.433 176.300 0.121 0.000 0.905 229 R CA -0.023 56.128 56.100 0.084 0.000 1.067 229 R CB 0.239 30.567 30.300 0.047 0.000 1.078 229 R HN 0.365 nan 8.270 nan 0.000 0.516 230 Q N -0.608 119.313 119.800 0.203 0.000 2.432 230 Q HA 0.113 4.453 4.340 0.000 0.000 0.205 230 Q C 1.083 177.322 176.000 0.399 0.000 0.945 230 Q CA 1.076 57.055 55.803 0.294 0.000 0.924 230 Q CB 1.034 29.966 28.738 0.323 0.000 1.016 230 Q HN 0.506 nan 8.270 nan 0.000 0.503 231 G N -1.458 107.515 108.800 0.289 0.000 2.234 231 G HA2 -0.103 3.857 3.960 0.000 0.000 0.153 231 G HA3 -0.103 3.857 3.960 0.000 0.000 0.153 231 G C -0.660 174.069 174.900 -0.285 0.000 1.013 231 G CA -0.711 44.318 45.100 -0.118 0.000 0.712 231 G HN 0.106 nan 8.290 nan 0.000 0.491 232 W N 0.029 121.345 121.300 0.026 0.000 2.830 232 W HA 0.573 5.233 4.660 0.000 0.000 0.335 232 W C 0.424 176.961 176.519 0.031 0.000 1.043 232 W CA -0.790 56.569 57.345 0.024 0.000 1.239 232 W CB 1.317 30.788 29.460 0.020 0.000 1.378 232 W HN 0.056 nan 8.180 nan 0.000 0.456 233 R N 0.817 121.432 120.500 0.192 0.000 2.320 233 R HA 0.154 4.494 4.340 0.000 0.000 0.193 233 R C 0.817 177.187 176.300 0.117 0.000 0.885 233 R CA 0.278 56.458 56.100 0.134 0.000 1.085 233 R CB 0.646 30.992 30.300 0.077 0.000 1.253 233 R HN 0.250 nan 8.270 nan 0.000 0.636 234 R N 1.321 121.885 120.500 0.106 0.000 2.834 234 R HA 0.351 4.691 4.340 0.000 0.000 0.362 234 R C -0.710 175.653 176.300 0.104 0.000 1.147 234 R CA -0.229 55.926 56.100 0.092 0.000 1.125 234 R CB 0.918 31.258 30.300 0.066 0.000 1.361 234 R HN -0.142 nan 8.270 nan 0.000 0.598 235 R N 1.265 121.850 120.500 0.141 0.000 2.621 235 R HA 0.429 4.769 4.340 0.000 0.000 0.292 235 R C 0.458 176.821 176.300 0.106 0.000 0.969 235 R CA -0.885 55.300 56.100 0.143 0.000 0.887 235 R CB 1.996 32.434 30.300 0.230 0.000 1.180 235 R HN 0.171 nan 8.270 nan 0.000 0.450 236 I N -0.903 119.703 120.570 0.061 0.000 3.246 236 I HA 0.122 4.292 4.170 0.000 0.000 0.280 236 I C 1.335 177.440 176.117 -0.020 0.000 1.239 236 I CA 0.080 61.389 61.300 0.015 0.000 1.336 236 I CB 0.427 38.423 38.000 -0.006 0.000 1.383 236 I HN 0.713 nan 8.210 nan 0.000 0.617 237 G N 2.631 111.395 108.800 -0.060 0.000 2.433 237 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 237 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 237 G C 0.512 175.355 174.900 -0.096 0.000 1.186 237 G CA 0.992 46.027 45.100 -0.109 0.000 0.779 237 G HN 0.997 nan 8.290 nan 0.000 0.543 238 N N -1.637 117.023 118.700 -0.066 0.000 2.825 238 N HA 0.229 4.969 4.740 0.000 0.000 0.253 238 N C -0.064 175.419 175.510 -0.046 0.000 1.426 238 N CA -0.719 52.297 53.050 -0.056 0.000 0.851 238 N CB 1.052 39.504 38.487 -0.059 0.000 1.470 238 N HN -0.026 nan 8.380 nan 0.000 0.517 239 L N -0.364 120.834 121.223 -0.041 0.000 2.592 239 L HA 0.403 4.743 4.340 0.000 0.000 0.227 239 L C 1.035 177.881 176.870 -0.041 0.000 1.127 239 L CA 0.522 55.337 54.840 -0.042 0.000 0.884 239 L CB -0.486 41.553 42.059 -0.034 0.000 1.065 239 L HN 0.938 nan 8.230 nan 0.000 0.457 240 G N -0.459 108.320 108.800 -0.034 0.000 2.361 240 G HA2 0.093 4.053 3.960 0.000 0.000 0.305 240 G HA3 0.093 4.053 3.960 0.000 0.000 0.305 240 G C -3.029 171.874 174.900 0.005 0.000 1.367 240 G CA -0.962 44.127 45.100 -0.019 0.000 0.951 240 G HN -0.211 nan 8.290 nan 0.000 0.615 241 P HA 0.106 nan 4.420 nan 0.000 0.275 241 P C 0.493 177.881 177.300 0.146 0.000 1.270 241 P CA -0.391 62.757 63.100 0.079 0.000 0.791 241 P CB 0.851 32.591 31.700 0.067 0.000 1.089 242 W N 0.763 122.048 121.300 -0.025 0.000 2.354 242 W HA -0.031 4.629 4.660 0.000 0.000 0.315 242 W C 0.047 176.555 176.519 -0.018 0.000 1.206 242 W CA 1.328 58.661 57.345 -0.020 0.000 1.290 242 W CB -0.637 28.812 29.460 -0.019 0.000 1.152 242 W HN 0.273 nan 8.180 nan 0.000 0.489 243 N N 0.912 119.789 118.700 0.295 0.000 2.321 243 N HA 0.221 4.961 4.740 0.000 0.000 0.299 243 N C -2.492 173.066 175.510 0.080 0.000 1.048 243 N CA -1.212 51.933 53.050 0.158 0.000 0.836 243 N CB 1.889 40.416 38.487 0.068 0.000 1.269 243 N HN -0.166 nan 8.380 nan 0.000 0.486 244 P HA 0.091 nan 4.420 nan 0.000 0.271 244 P C -0.471 176.874 177.300 0.075 0.000 1.216 244 P CA -0.205 62.930 63.100 0.058 0.000 0.771 244 P CB 0.423 32.141 31.700 0.030 0.000 0.864 245 S N 4.243 119.998 115.700 0.092 0.000 4.175 245 S HA 0.216 4.686 4.470 0.000 0.000 0.193 245 S C 0.607 175.226 174.600 0.031 0.000 1.373 245 S CA -0.618 57.627 58.200 0.076 0.000 0.908 245 S CB -1.000 62.259 63.200 0.098 0.000 1.547 245 S HN 0.626 nan 8.310 nan 0.000 0.440 246 R N -1.701 118.810 120.500 0.018 0.000 2.687 246 R HA 0.446 4.786 4.340 0.000 0.000 0.265 246 R C -2.052 174.245 176.300 -0.005 0.000 1.048 246 R CA -1.024 55.078 56.100 0.004 0.000 0.884 246 R CB 0.532 30.836 30.300 0.007 0.000 1.258 246 R HN 0.047 nan 8.270 nan 0.000 0.469 247 V N 2.816 122.722 119.914 -0.013 0.000 2.408 247 V HA 0.292 4.412 4.120 0.000 0.000 0.267 247 V C 0.787 176.865 176.094 -0.026 0.000 1.047 247 V CA -0.403 61.883 62.300 -0.023 0.000 0.937 247 V CB 0.953 32.760 31.823 -0.026 0.000 0.999 247 V HN 0.560 nan 8.190 nan 0.000 0.472 248 R N 2.694 123.174 120.500 -0.034 0.000 2.643 248 R HA 0.075 4.415 4.340 0.000 0.000 0.270 248 R C 1.548 177.814 176.300 -0.058 0.000 1.061 248 R CA 0.503 56.580 56.100 -0.039 0.000 1.107 248 R CB 0.758 31.033 30.300 -0.042 0.000 0.999 248 R HN 0.909 nan 8.270 nan 0.000 0.460 249 S N 0.040 115.710 115.700 -0.050 0.000 2.555 249 S HA -0.108 4.362 4.470 0.000 0.000 0.230 249 S C 1.561 176.095 174.600 -0.110 0.000 0.978 249 S CA 1.185 59.350 58.200 -0.058 0.000 0.934 249 S CB -0.128 63.056 63.200 -0.026 0.000 0.766 249 S HN 0.812 nan 8.310 nan 0.000 0.533 250 T N -0.451 114.031 114.554 -0.119 0.000 3.113 250 T HA 0.188 4.538 4.350 0.000 0.000 0.256 250 T C 0.610 175.144 174.700 -0.277 0.000 1.131 250 T CA 0.293 62.290 62.100 -0.172 0.000 1.074 250 T CB -0.563 68.240 68.868 -0.109 0.000 0.944 250 T HN 0.380 nan 8.240 nan 0.000 0.516 251 V N 4.091 123.858 119.914 -0.246 0.000 2.488 251 V HA 0.409 4.529 4.120 0.000 0.000 0.277 251 V C -2.378 173.451 176.094 -0.442 0.000 1.046 251 V CA -2.677 59.457 62.300 -0.278 0.000 0.986 251 V CB 0.779 32.504 31.823 -0.163 0.000 0.989 251 V HN 0.187 nan 8.190 nan 0.000 0.475 252 P HA 0.143 nan 4.420 nan 0.000 0.261 252 P C -0.866 176.211 177.300 -0.371 0.000 1.203 252 P CA 0.403 62.944 63.100 -0.933 0.000 0.767 252 P CB 0.421 31.750 31.700 -0.619 0.000 0.785 253 Q N 0.742 120.422 119.800 -0.199 0.000 2.495 253 Q HA 0.238 4.578 4.340 0.000 0.000 0.287 253 Q C -0.090 176.065 176.000 0.259 0.000 1.078 253 Q CA -1.018 54.819 55.803 0.058 0.000 0.793 253 Q CB 2.030 30.782 28.738 0.022 0.000 1.459 253 Q HN 0.485 nan 8.270 nan 0.000 0.422 254 Q N 0.362 120.270 119.800 0.180 0.000 2.540 254 Q HA 0.341 4.681 4.340 0.000 0.000 0.256 254 Q C -0.352 175.747 176.000 0.165 0.000 1.084 254 Q CA 1.199 57.101 55.803 0.166 0.000 0.956 254 Q CB 0.487 29.286 28.738 0.101 0.000 1.303 254 Q HN 0.816 nan 8.270 nan 0.000 0.509 255 G N 1.353 110.230 108.800 0.128 0.000 2.345 255 G HA2 -0.040 3.920 3.960 0.000 0.000 0.285 255 G HA3 -0.040 3.920 3.960 0.000 0.000 0.285 255 G C -1.560 173.393 174.900 0.087 0.000 1.297 255 G CA -0.789 44.378 45.100 0.113 0.000 0.875 255 G HN 0.545 nan 8.290 nan 0.000 0.506 256 Q N 1.012 120.871 119.800 0.099 0.000 2.289 256 Q HA 0.479 4.819 4.340 0.000 0.000 0.273 256 Q C 0.185 176.262 176.000 0.128 0.000 1.029 256 Q CA 0.744 56.605 55.803 0.097 0.000 0.896 256 Q CB 0.694 29.516 28.738 0.140 0.000 1.182 256 Q HN 0.995 nan 8.270 nan 0.000 0.385 257 T N 0.013 114.590 114.554 0.038 0.000 2.881 257 T HA 0.749 5.099 4.350 0.000 0.000 0.290 257 T C 0.003 174.589 174.700 -0.189 0.000 1.000 257 T CA 0.147 62.258 62.100 0.018 0.000 0.978 257 T CB 1.660 70.506 68.868 -0.038 0.000 0.997 257 T HN 0.826 nan 8.240 nan 0.000 0.443 258 G N 1.835 110.336 108.800 -0.499 0.000 2.707 258 G HA2 0.232 4.192 3.960 0.000 0.000 0.686 258 G HA3 0.232 4.192 3.960 0.000 0.000 0.686 258 G C -0.377 174.083 174.900 -0.733 0.000 1.315 258 G CA -0.019 44.771 45.100 -0.518 0.000 0.832 258 G HN 2.181 nan 8.290 nan 0.000 0.573 259 Y N 0.027 120.034 120.300 -0.488 0.000 3.125 259 Y HA -0.210 4.340 4.550 0.000 0.000 0.200 259 Y C 0.424 176.163 175.900 -0.268 0.000 1.373 259 Y CA 1.749 59.670 58.100 -0.298 0.000 1.180 259 Y CB -1.739 36.598 38.460 -0.205 0.000 1.381 259 Y HN 0.918 nan 8.280 nan 0.000 0.501 260 H N -0.136 118.855 119.070 -0.132 0.000 2.690 260 H HA 0.439 4.995 4.556 0.000 0.000 0.368 260 H C -0.201 175.027 175.328 -0.167 0.000 1.150 260 H CA -0.791 55.180 56.048 -0.127 0.000 1.174 260 H CB 1.347 31.073 29.762 -0.060 0.000 1.684 260 H HN 0.407 nan 8.280 nan 0.000 0.538 261 Q N 2.609 122.395 119.800 -0.024 0.000 2.327 261 Q HA 0.287 4.627 4.340 0.000 0.000 0.254 261 Q C -0.734 175.247 176.000 -0.032 0.000 0.952 261 Q CA -0.533 55.212 55.803 -0.096 0.000 0.884 261 Q CB 0.646 29.304 28.738 -0.133 0.000 1.224 261 Q HN 0.523 nan 8.270 nan 0.000 0.422 262 R N 2.334 122.794 120.500 -0.068 0.000 2.584 262 R HA 0.337 4.677 4.340 0.000 0.000 0.276 262 R C -1.442 174.817 176.300 -0.068 0.000 1.046 262 R CA -0.638 55.456 56.100 -0.009 0.000 0.906 262 R CB 2.330 32.640 30.300 0.016 0.000 1.215 262 R HN 0.656 nan 8.270 nan 0.000 0.449 263 T N 1.874 116.410 114.554 -0.030 0.000 2.947 263 T HA 0.187 4.537 4.350 0.000 0.000 0.337 263 T C -0.097 174.617 174.700 0.024 0.000 1.139 263 T CA -0.429 61.655 62.100 -0.026 0.000 0.992 263 T CB 0.723 69.597 68.868 0.011 0.000 1.043 263 T HN 0.363 nan 8.240 nan 0.000 0.498 264 E N 2.988 123.193 120.200 0.008 0.000 2.257 264 E HA 0.269 4.619 4.350 0.000 0.000 0.278 264 E C -0.504 176.121 176.600 0.042 0.000 1.049 264 E CA -0.615 55.798 56.400 0.022 0.000 0.876 264 E CB 0.380 30.077 29.700 -0.006 0.000 1.035 264 E HN 0.277 nan 8.360 nan 0.000 0.419 265 L N 4.555 125.805 121.223 0.044 0.000 2.395 265 L HA 0.191 4.531 4.340 0.000 0.000 0.269 265 L C -0.128 176.769 176.870 0.045 0.000 1.133 265 L CA 0.042 54.910 54.840 0.046 0.000 0.812 265 L CB 0.568 42.642 42.059 0.026 0.000 1.125 265 L HN 0.644 nan 8.230 nan 0.000 0.452 266 N N 1.648 120.384 118.700 0.060 0.000 2.641 266 N HA -0.184 4.556 4.740 0.000 0.000 0.267 266 N C -0.929 174.689 175.510 0.179 0.000 1.087 266 N CA 0.640 53.730 53.050 0.066 0.000 0.731 266 N CB -0.731 37.688 38.487 -0.113 0.000 0.886 266 N HN 0.390 nan 8.380 nan 0.000 0.547 267 K N 1.265 121.809 120.400 0.240 0.000 2.240 267 K HA 0.264 4.584 4.320 0.000 0.000 0.271 267 K C 0.654 177.425 176.600 0.285 0.000 1.018 267 K CA -0.517 55.907 56.287 0.227 0.000 0.874 267 K CB 1.861 34.440 32.500 0.133 0.000 1.098 267 K HN 0.277 nan 8.250 nan 0.000 0.458 268 R N 3.579 124.230 120.500 0.251 0.000 2.347 268 R HA 0.159 4.499 4.340 0.000 0.000 0.304 268 R C -0.197 176.082 176.300 -0.035 0.000 1.072 268 R CA -0.292 55.788 56.100 -0.034 0.000 0.980 268 R CB 0.301 30.563 30.300 -0.062 0.000 0.986 268 R HN 0.498 nan 8.270 nan 0.000 0.448 269 L N 7.373 128.543 121.223 -0.089 0.000 2.401 269 L HA 0.052 4.392 4.340 0.000 0.000 0.283 269 L C 1.416 178.250 176.870 -0.060 0.000 1.151 269 L CA -0.546 54.262 54.840 -0.054 0.000 0.942 269 L CB 0.412 42.429 42.059 -0.071 0.000 1.283 269 L HN 0.746 nan 8.230 nan 0.000 0.442 270 I N 1.099 121.655 120.570 -0.025 0.000 2.151 270 I HA -0.197 3.973 4.170 0.000 0.000 0.243 270 I C 0.811 176.923 176.117 -0.009 0.000 1.080 270 I CA 1.565 62.857 61.300 -0.013 0.000 1.339 270 I CB -0.545 37.464 38.000 0.015 0.000 1.039 270 I HN 0.675 nan 8.210 nan 0.000 0.409 271 D N -1.452 118.951 120.400 0.005 0.000 2.769 271 D HA 0.408 5.048 4.640 0.000 0.000 0.219 271 D C -1.091 175.183 176.300 -0.044 0.000 1.245 271 D CA -0.427 53.571 54.000 -0.004 0.000 0.801 271 D CB 1.532 42.361 40.800 0.049 0.000 1.598 271 D HN -0.035 nan 8.370 nan 0.000 0.485 272 I N 3.145 123.635 120.570 -0.133 0.000 2.405 272 I HA 0.651 4.821 4.170 0.000 0.000 0.280 272 I C 0.754 176.638 176.117 -0.387 0.000 1.027 272 I CA -0.456 60.692 61.300 -0.254 0.000 1.161 272 I CB 1.369 39.244 38.000 -0.209 0.000 1.300 272 I HN 0.411 nan 8.210 nan 0.000 0.463 273 G N 4.642 112.944 108.800 -0.831 0.000 3.212 273 G HA2 0.730 4.690 3.960 0.000 0.000 0.188 273 G HA3 0.730 4.690 3.960 0.000 0.000 0.188 273 G C -1.329 173.026 174.900 -0.907 0.000 1.254 273 G CA -0.278 44.325 45.100 -0.828 0.000 0.957 273 G HN 0.544 nan 8.290 nan 0.000 0.596 274 E N -2.076 117.838 120.200 -0.476 0.000 2.378 274 E HA 0.496 4.846 4.350 0.000 0.000 0.283 274 E C -0.261 176.456 176.600 0.194 0.000 0.979 274 E CA 0.129 56.486 56.400 -0.071 0.000 0.795 274 E CB 1.329 30.992 29.700 -0.061 0.000 1.221 274 E HN 1.828 nan 8.360 nan 0.000 0.428 275 G N 2.868 111.833 108.800 0.275 0.000 2.306 275 G HA2 -0.052 3.908 3.960 0.000 0.000 0.262 275 G HA3 -0.052 3.908 3.960 0.000 0.000 0.262 275 G C -0.711 174.313 174.900 0.207 0.000 1.263 275 G CA 0.045 45.268 45.100 0.205 0.000 1.088 275 G HN 0.723 nan 8.290 nan 0.000 0.489 276 D N -0.476 119.997 120.400 0.122 0.000 2.538 276 D HA 0.204 4.844 4.640 0.000 0.000 0.231 276 D C 1.134 177.437 176.300 0.005 0.000 1.229 276 D CA 0.479 54.512 54.000 0.054 0.000 0.828 276 D CB 0.309 41.135 40.800 0.044 0.000 1.035 276 D HN 0.624 nan 8.370 nan 0.000 0.495 277 E N 1.075 121.293 120.200 0.030 0.000 2.153 277 E HA -0.085 4.265 4.350 0.000 0.000 0.194 277 E C -0.641 175.894 176.600 -0.108 0.000 0.988 277 E CA 1.240 57.641 56.400 0.001 0.000 0.811 277 E CB -0.507 29.253 29.700 0.100 0.000 0.746 277 E HN 0.407 nan 8.360 nan 0.000 0.466 278 P HA 0.006 nan 4.420 nan 0.000 0.228 278 P C 0.089 177.350 177.300 -0.065 0.000 1.166 278 P CA 0.596 63.544 63.100 -0.253 0.000 0.812 278 P CB 0.148 31.498 31.700 -0.584 0.000 0.857 279 T N 1.339 115.870 114.554 -0.039 0.000 2.934 279 T HA 0.072 4.422 4.350 0.000 0.000 0.321 279 T C 0.520 175.016 174.700 -0.340 0.000 1.080 279 T CA 0.420 62.450 62.100 -0.117 0.000 1.132 279 T CB 0.513 69.342 68.868 -0.065 0.000 1.039 279 T HN -0.229 nan 8.240 nan 0.000 0.543 280 V N 2.758 122.221 119.914 -0.752 0.000 2.716 280 V HA 0.204 4.324 4.120 0.000 0.000 0.304 280 V C 0.142 176.033 176.094 -0.337 0.000 1.053 280 V CA -0.854 61.129 62.300 -0.529 0.000 0.984 280 V CB 1.769 33.182 31.823 -0.684 0.000 1.021 280 V HN 0.826 nan 8.190 nan 0.000 0.467 281 D N 2.562 122.845 120.400 -0.195 0.000 2.417 281 D HA 0.425 5.065 4.640 0.000 0.000 0.250 281 D C 1.018 177.250 176.300 -0.114 0.000 1.166 281 D CA 1.418 55.346 54.000 -0.121 0.000 0.881 281 D CB 1.122 41.880 40.800 -0.070 0.000 1.164 281 D HN 0.916 nan 8.370 nan 0.000 0.467 282 G N 1.340 110.086 108.800 -0.090 0.000 2.258 282 G HA2 0.004 3.964 3.960 0.000 0.000 0.233 282 G HA3 0.004 3.964 3.960 0.000 0.000 0.233 282 G C 0.639 175.496 174.900 -0.072 0.000 1.006 282 G CA 0.176 45.238 45.100 -0.065 0.000 0.620 282 G HN 1.381 nan 8.290 nan 0.000 0.511 283 G N -1.230 107.488 108.800 -0.137 0.000 2.629 283 G HA2 0.249 4.209 3.960 0.000 0.000 0.686 283 G HA3 0.249 4.209 3.960 0.000 0.000 0.686 283 G C -0.344 174.486 174.900 -0.117 0.000 1.232 283 G CA -0.177 44.852 45.100 -0.119 0.000 0.803 283 G HN 1.180 nan 8.290 nan 0.000 0.638 284 F N 0.893 120.900 119.950 0.095 0.000 2.487 284 F HA 0.324 4.851 4.527 0.000 0.000 0.364 284 F C 1.676 177.550 175.800 0.124 0.000 1.126 284 F CA -0.262 57.806 58.000 0.114 0.000 1.135 284 F CB 0.867 39.973 39.000 0.176 0.000 1.127 284 F HN 0.396 nan 8.300 nan 0.000 0.559 285 V N 5.901 125.958 119.914 0.237 0.000 2.717 285 V HA -0.247 3.873 4.120 0.000 0.000 0.302 285 V C 0.930 177.132 176.094 0.180 0.000 1.097 285 V CA 0.303 62.698 62.300 0.158 0.000 1.262 285 V CB -0.557 31.333 31.823 0.113 0.000 0.846 285 V HN 0.974 nan 8.190 nan 0.000 0.485 286 N N 2.248 121.028 118.700 0.133 0.000 2.708 286 N HA -0.258 4.482 4.740 0.000 0.000 0.251 286 N C -0.064 175.558 175.510 0.187 0.000 1.123 286 N CA 1.851 54.974 53.050 0.120 0.000 0.739 286 N CB -0.827 37.718 38.487 0.097 0.000 1.113 286 N HN 0.951 nan 8.380 nan 0.000 0.561 287 Y N -1.118 119.233 120.300 0.086 0.000 3.274 287 Y HA 0.507 5.057 4.550 0.000 0.000 0.174 287 Y C 1.363 177.319 175.900 0.095 0.000 0.880 287 Y CA 1.644 59.797 58.100 0.088 0.000 1.793 287 Y CB 0.359 38.884 38.460 0.109 0.000 1.409 287 Y HN 0.129 nan 8.280 nan 0.000 0.368 288 G N 0.511 109.400 108.800 0.148 0.000 2.334 288 G HA2 0.141 4.101 3.960 0.000 0.000 0.249 288 G HA3 0.141 4.101 3.960 0.000 0.000 0.249 288 G C -1.636 173.403 174.900 0.233 0.000 1.327 288 G CA -0.745 44.375 45.100 0.033 0.000 0.979 288 G HN 0.158 nan 8.290 nan 0.000 0.471 289 E N -0.706 119.574 120.200 0.133 0.000 2.191 289 E HA 0.570 4.920 4.350 0.000 0.000 0.274 289 E C -0.821 175.923 176.600 0.238 0.000 0.948 289 E CA -0.773 55.725 56.400 0.162 0.000 0.802 289 E CB 2.803 32.538 29.700 0.059 0.000 1.137 289 E HN 0.307 nan 8.360 nan 0.000 0.397 290 V N 2.121 122.200 119.914 0.274 0.000 2.398 290 V HA 0.249 4.369 4.120 0.000 0.000 0.286 290 V C -0.563 175.621 176.094 0.149 0.000 1.026 290 V CA -0.331 62.118 62.300 0.248 0.000 0.868 290 V CB 1.444 33.427 31.823 0.267 0.000 0.982 290 V HN 0.739 nan 8.190 nan 0.000 0.443 291 D N 3.046 123.536 120.400 0.149 0.000 3.036 291 D HA 0.538 5.178 4.640 0.000 0.000 0.244 291 D C -0.096 176.288 176.300 0.141 0.000 1.337 291 D CA 0.598 54.676 54.000 0.129 0.000 0.829 291 D CB 0.393 41.247 40.800 0.089 0.000 1.478 291 D HN 0.836 nan 8.370 nan 0.000 0.570 292 G N 0.878 109.794 108.800 0.194 0.000 2.428 292 G HA2 0.399 4.359 3.960 0.000 0.000 0.305 292 G HA3 0.399 4.359 3.960 0.000 0.000 0.305 292 G C -2.974 172.046 174.900 0.201 0.000 1.260 292 G CA -0.832 44.366 45.100 0.163 0.000 0.853 292 G HN 0.009 nan 8.290 nan 0.000 0.480 293 P HA 0.370 nan 4.420 nan 0.000 0.266 293 P C -1.272 176.109 177.300 0.135 0.000 1.215 293 P CA 0.490 63.621 63.100 0.053 0.000 0.763 293 P CB -0.021 31.705 31.700 0.044 0.000 0.806 294 Y N 0.047 120.363 120.300 0.026 0.000 2.588 294 Y HA 0.783 5.333 4.550 0.000 0.000 0.343 294 Y C -0.980 174.906 175.900 -0.024 0.000 1.065 294 Y CA -1.183 56.929 58.100 0.021 0.000 1.038 294 Y CB 0.792 39.272 38.460 0.033 0.000 1.297 294 Y HN 0.083 nan 8.280 nan 0.000 0.467 295 T N 3.909 118.585 114.554 0.203 0.000 2.841 295 T HA 0.548 4.898 4.350 0.000 0.000 0.283 295 T C -0.859 173.952 174.700 0.185 0.000 1.000 295 T CA -0.634 61.508 62.100 0.070 0.000 0.977 295 T CB 1.061 69.853 68.868 -0.126 0.000 0.979 295 T HN 0.635 nan 8.240 nan 0.000 0.446 296 L N 3.334 124.648 121.223 0.151 0.000 2.265 296 L HA 0.552 4.892 4.340 0.000 0.000 0.289 296 L C -0.503 176.410 176.870 0.071 0.000 1.033 296 L CA -0.904 54.006 54.840 0.116 0.000 0.814 296 L CB 1.266 43.397 42.059 0.120 0.000 1.203 296 L HN 0.335 nan 8.230 nan 0.000 0.423 297 V N 3.802 123.761 119.914 0.074 0.000 2.427 297 V HA 0.224 4.344 4.120 0.000 0.000 0.286 297 V C 0.395 176.520 176.094 0.051 0.000 1.034 297 V CA -0.874 61.474 62.300 0.079 0.000 0.893 297 V CB 1.746 33.636 31.823 0.111 0.000 0.982 297 V HN 0.631 nan 8.190 nan 0.000 0.452 298 K N 3.319 123.752 120.400 0.054 0.000 2.448 298 K HA 0.404 4.724 4.320 0.000 0.000 0.278 298 K C 0.969 177.596 176.600 0.046 0.000 1.009 298 K CA 1.100 57.419 56.287 0.052 0.000 0.995 298 K CB 0.104 32.645 32.500 0.068 0.000 0.917 298 K HN 1.087 nan 8.250 nan 0.000 0.481 299 G N 2.544 111.365 108.800 0.035 0.000 2.547 299 G HA2 -0.309 3.651 3.960 0.000 0.000 0.271 299 G HA3 -0.309 3.651 3.960 0.000 0.000 0.271 299 G C -0.498 174.405 174.900 0.004 0.000 1.209 299 G CA 0.080 45.193 45.100 0.022 0.000 0.959 299 G HN 0.922 nan 8.290 nan 0.000 0.563 300 S N -1.247 114.450 115.700 -0.005 0.000 2.651 300 S HA 0.802 5.272 4.470 0.000 0.000 0.291 300 S C -0.452 174.125 174.600 -0.039 0.000 1.141 300 S CA -0.120 58.065 58.200 -0.026 0.000 1.027 300 S CB 2.340 65.523 63.200 -0.029 0.000 1.043 300 S HN 1.576 nan 8.310 nan 0.000 0.530 301 V N 2.426 122.302 119.914 -0.063 0.000 2.789 301 V HA 0.554 4.674 4.120 0.000 0.000 0.311 301 V C -2.233 173.802 176.094 -0.098 0.000 1.073 301 V CA -1.943 60.301 62.300 -0.093 0.000 0.921 301 V CB 1.780 33.531 31.823 -0.120 0.000 1.009 301 V HN 0.922 nan 8.190 nan 0.000 0.426 302 P HA 0.387 nan 4.420 nan 0.000 0.270 302 P C 0.147 177.382 177.300 -0.108 0.000 1.223 302 P CA 0.819 63.858 63.100 -0.102 0.000 0.785 302 P CB 0.787 32.422 31.700 -0.108 0.000 0.923 303 G N 1.222 109.968 108.800 -0.089 0.000 2.690 303 G HA2 -0.039 3.921 3.960 0.000 0.000 0.686 303 G HA3 -0.039 3.921 3.960 0.000 0.000 0.686 303 G C -3.211 171.657 174.900 -0.053 0.000 1.277 303 G CA -0.693 44.363 45.100 -0.074 0.000 0.799 303 G HN 0.631 nan 8.290 nan 0.000 0.613 304 P HA 0.408 nan 4.420 nan 0.000 0.283 304 P C -0.700 176.598 177.300 -0.004 0.000 1.278 304 P CA -0.653 62.442 63.100 -0.009 0.000 0.834 304 P CB 1.021 32.731 31.700 0.017 0.000 1.150 305 D N 1.150 121.552 120.400 0.003 0.000 2.488 305 D HA -0.015 4.625 4.640 0.000 0.000 0.238 305 D C 0.814 177.193 176.300 0.132 0.000 1.138 305 D CA 0.768 54.773 54.000 0.008 0.000 0.873 305 D CB 0.180 41.013 40.800 0.054 0.000 1.183 305 D HN 0.455 nan 8.370 nan 0.000 0.458 306 K N -0.594 119.917 120.400 0.186 0.000 3.510 306 K HA -0.185 4.135 4.320 0.000 0.000 0.280 306 K C 0.604 177.371 176.600 0.278 0.000 1.307 306 K CA 0.523 56.998 56.287 0.314 0.000 0.955 306 K CB -0.726 31.923 32.500 0.248 0.000 1.363 306 K HN 0.402 nan 8.250 nan 0.000 0.492 307 R N 1.653 122.247 120.500 0.157 0.000 2.490 307 R HA 0.326 4.666 4.340 0.000 0.000 0.278 307 R C -0.327 175.993 176.300 0.034 0.000 1.069 307 R CA -0.530 55.633 56.100 0.105 0.000 1.080 307 R CB 0.550 30.861 30.300 0.019 0.000 1.030 307 R HN 0.108 nan 8.270 nan 0.000 0.491 308 L N 5.073 126.261 121.223 -0.059 0.000 2.380 308 L HA 0.259 4.599 4.340 0.000 0.000 0.273 308 L C -0.917 175.784 176.870 -0.281 0.000 1.138 308 L CA 0.041 54.674 54.840 -0.346 0.000 0.832 308 L CB 1.320 43.180 42.059 -0.332 0.000 1.124 308 L HN 0.419 nan 8.230 nan 0.000 0.454 309 V N 3.010 122.726 119.914 -0.329 0.000 2.735 309 V HA 0.714 4.834 4.120 0.000 0.000 0.310 309 V C -0.350 175.529 176.094 -0.359 0.000 1.061 309 V CA -0.966 61.126 62.300 -0.347 0.000 0.913 309 V CB 1.808 33.398 31.823 -0.388 0.000 1.005 309 V HN 0.793 nan 8.190 nan 0.000 0.428 310 R N 2.349 122.636 120.500 -0.355 0.000 2.589 310 R HA 0.688 5.028 4.340 0.000 0.000 0.293 310 R C -1.567 174.732 176.300 -0.001 0.000 0.963 310 R CA -0.392 55.647 56.100 -0.101 0.000 0.905 310 R CB 2.168 32.445 30.300 -0.039 0.000 1.144 310 R HN 0.737 nan 8.270 nan 0.000 0.459 311 F N 1.405 121.544 119.950 0.315 0.000 2.497 311 F HA 0.594 5.121 4.527 0.000 0.000 0.331 311 F C 0.728 176.749 175.800 0.368 0.000 1.060 311 F CA -0.639 57.501 58.000 0.232 0.000 0.989 311 F CB 1.134 40.024 39.000 -0.184 0.000 1.245 311 F HN 0.201 nan 8.300 nan 0.000 0.486 312 R N 1.484 122.281 120.500 0.495 0.000 2.633 312 R HA 0.302 4.642 4.340 0.000 0.000 0.255 312 R C -3.597 172.934 176.300 0.386 0.000 1.106 312 R CA -1.737 54.537 56.100 0.291 0.000 0.959 312 R CB 1.981 31.946 30.300 -0.559 0.000 1.259 312 R HN 0.255 nan 8.270 nan 0.000 0.453 313 P HA 0.032 nan 4.420 nan 0.000 0.262 313 P C -0.442 176.960 177.300 0.170 0.000 1.199 313 P CA 0.325 63.582 63.100 0.262 0.000 0.763 313 P CB 0.640 32.377 31.700 0.062 0.000 0.790 314 A N 3.905 126.844 122.820 0.198 0.000 2.600 314 A HA -0.015 4.305 4.320 0.000 0.000 0.244 314 A C 1.503 179.131 177.584 0.073 0.000 1.016 314 A CA 0.454 52.570 52.037 0.132 0.000 0.778 314 A CB -0.476 18.616 19.000 0.153 0.000 0.920 314 A HN 0.574 nan 8.150 nan 0.000 0.513 315 V N 0.956 120.892 119.914 0.036 0.000 3.235 315 V HA 0.154 4.274 4.120 0.000 0.000 0.259 315 V C 0.873 176.973 176.094 0.011 0.000 1.133 315 V CA 1.285 63.595 62.300 0.017 0.000 1.128 315 V CB -0.933 30.885 31.823 -0.008 0.000 0.757 315 V HN 0.925 nan 8.190 nan 0.000 0.469 316 R N -0.023 120.482 120.500 0.007 0.000 2.754 316 R HA 0.562 4.902 4.340 0.000 0.000 0.255 316 R C -3.280 173.004 176.300 -0.026 0.000 1.723 316 R CA -1.364 54.731 56.100 -0.008 0.000 1.596 316 R CB 0.184 30.476 30.300 -0.014 0.000 1.424 316 R HN 0.255 nan 8.270 nan 0.000 0.662 317 P HA 0.275 nan 4.420 nan 0.000 0.276 317 P C -0.277 176.960 177.300 -0.104 0.000 1.244 317 P CA -0.648 62.399 63.100 -0.088 0.000 0.801 317 P CB 0.876 32.565 31.700 -0.018 0.000 1.006 318 N N -0.359 118.231 118.700 -0.184 0.000 2.463 318 N HA 0.064 4.804 4.740 0.000 0.000 0.183 318 N C -0.268 175.179 175.510 -0.106 0.000 1.064 318 N CA 0.699 53.673 53.050 -0.126 0.000 0.879 318 N CB 0.237 38.646 38.487 -0.130 0.000 1.148 318 N HN 0.456 nan 8.380 nan 0.000 0.451 319 D N 0.786 121.085 120.400 -0.169 0.000 2.326 319 D HA 0.190 4.830 4.640 0.000 0.000 0.248 319 D C -0.022 176.328 176.300 0.083 0.000 1.001 319 D CA -0.321 53.659 54.000 -0.033 0.000 0.961 319 D CB 1.559 42.361 40.800 0.004 0.000 1.183 319 D HN -0.131 nan 8.370 nan 0.000 0.502 320 Q N 0.445 120.313 119.800 0.113 0.000 2.306 320 Q HA 0.331 4.671 4.340 0.000 0.000 0.241 320 Q C -2.451 173.659 176.000 0.183 0.000 0.948 320 Q CA -1.180 54.694 55.803 0.119 0.000 0.886 320 Q CB 0.770 29.551 28.738 0.072 0.000 1.227 320 Q HN 0.043 nan 8.270 nan 0.000 0.457 321 P HA 0.169 nan 4.420 nan 0.000 0.269 321 P C -1.305 176.023 177.300 0.046 0.000 1.215 321 P CA 0.054 63.209 63.100 0.091 0.000 0.780 321 P CB 0.618 32.347 31.700 0.049 0.000 0.898 322 R N 1.862 122.360 120.500 -0.003 0.000 2.547 322 R HA 0.309 4.649 4.340 0.000 0.000 0.280 322 R C -0.388 175.891 176.300 -0.036 0.000 1.630 322 R CA -0.376 55.722 56.100 -0.004 0.000 1.470 322 R CB 0.065 30.373 30.300 0.013 0.000 1.178 322 R HN 0.418 nan 8.270 nan 0.000 0.591 323 L N 1.687 122.893 121.223 -0.029 0.000 2.516 323 L HA -0.040 4.300 4.340 0.000 0.000 0.288 323 L C 0.029 176.880 176.870 -0.032 0.000 1.246 323 L CA 0.280 55.099 54.840 -0.036 0.000 0.844 323 L CB 0.102 42.145 42.059 -0.027 0.000 1.106 323 L HN 0.619 nan 8.230 nan 0.000 0.509 324 D N 0.610 120.988 120.400 -0.037 0.000 3.164 324 D HA -0.141 4.499 4.640 0.000 0.000 0.200 324 D C -2.346 173.942 176.300 -0.020 0.000 1.222 324 D CA 0.109 54.091 54.000 -0.029 0.000 0.871 324 D CB -0.946 39.839 40.800 -0.025 0.000 0.831 324 D HN 0.309 nan 8.370 nan 0.000 0.389 325 P HA 0.073 nan 4.420 nan 0.000 0.275 325 P C -0.116 177.185 177.300 0.002 0.000 1.227 325 P CA -0.335 62.760 63.100 -0.008 0.000 0.781 325 P CB 0.698 32.391 31.700 -0.013 0.000 0.906 326 E N 2.042 122.247 120.200 0.010 0.000 2.265 326 E HA 0.137 4.487 4.350 0.000 0.000 0.272 326 E C -0.860 175.756 176.600 0.026 0.000 1.067 326 E CA -0.328 56.083 56.400 0.017 0.000 0.900 326 E CB 0.322 30.034 29.700 0.019 0.000 1.017 326 E HN 0.134 nan 8.360 nan 0.000 0.431 327 V N 6.785 126.717 119.914 0.030 0.000 2.348 327 V HA 0.182 4.302 4.120 0.000 0.000 0.270 327 V C 1.220 177.348 176.094 0.056 0.000 1.037 327 V CA -0.197 62.126 62.300 0.039 0.000 0.872 327 V CB 1.083 32.928 31.823 0.036 0.000 1.002 327 V HN 0.739 nan 8.190 nan 0.000 0.464 328 R N 2.755 123.299 120.500 0.074 0.000 2.223 328 R HA 0.196 4.536 4.340 0.000 0.000 0.198 328 R C -0.448 175.961 176.300 0.182 0.000 0.984 328 R CA 0.433 56.592 56.100 0.097 0.000 1.018 328 R CB 0.547 30.895 30.300 0.080 0.000 0.945 328 R HN 0.655 nan 8.270 nan 0.000 0.479 329 Y N -0.863 119.432 120.300 -0.008 0.000 2.521 329 Y HA 0.268 4.818 4.550 0.000 0.000 0.326 329 Y C -1.899 173.971 175.900 -0.049 0.000 1.176 329 Y CA -1.414 56.669 58.100 -0.028 0.000 1.079 329 Y CB 1.333 39.771 38.460 -0.037 0.000 1.341 329 Y HN -0.364 nan 8.280 nan 0.000 0.456 330 V N 4.624 124.112 119.914 -0.710 0.000 2.483 330 V HA 0.439 4.559 4.120 0.000 0.000 0.297 330 V C -0.236 175.141 176.094 -1.194 0.000 1.027 330 V CA -0.828 61.050 62.300 -0.703 0.000 0.855 330 V CB 1.715 33.367 31.823 -0.284 0.000 0.995 330 V HN 0.798 nan 8.190 nan 0.000 0.424 331 S N 3.864 118.914 115.700 -1.083 0.000 2.505 331 S HA 0.261 4.731 4.470 0.000 0.000 0.276 331 S C 0.802 175.200 174.600 -0.335 0.000 1.274 331 S CA -0.427 57.311 58.200 -0.770 0.000 1.053 331 S CB 0.187 62.941 63.200 -0.743 0.000 0.919 331 S HN 0.763 nan 8.310 nan 0.000 0.490 332 N N 3.002 121.598 118.700 -0.173 0.000 2.187 332 N HA 0.048 4.788 4.740 0.000 0.000 0.212 332 N C 0.023 175.482 175.510 -0.085 0.000 1.152 332 N CA -0.138 52.838 53.050 -0.122 0.000 0.872 332 N CB 0.374 38.814 38.487 -0.079 0.000 1.025 332 N HN 0.772 nan 8.380 nan 0.000 0.514 333 E N 1.572 121.750 120.200 -0.036 0.000 2.442 333 E HA -0.023 4.327 4.350 0.000 0.000 0.262 333 E C -0.107 176.474 176.600 -0.032 0.000 1.004 333 E CA 0.097 56.496 56.400 -0.002 0.000 0.928 333 E CB 0.668 30.402 29.700 0.056 0.000 0.937 333 E HN -0.049 nan 8.360 nan 0.000 0.446 334 S N 3.105 118.784 115.700 -0.035 0.000 2.552 334 S HA -0.025 4.445 4.470 0.000 0.000 0.289 334 S C 0.574 175.162 174.600 -0.020 0.000 1.304 334 S CA -0.370 57.800 58.200 -0.051 0.000 1.063 334 S CB 0.262 63.441 63.200 -0.036 0.000 0.848 334 S HN 0.542 nan 8.310 nan 0.000 0.499 335 N N 3.168 121.852 118.700 -0.027 0.000 2.434 335 N HA 0.096 4.836 4.740 0.000 0.000 0.196 335 N C -0.536 174.986 175.510 0.020 0.000 1.183 335 N CA 0.343 53.404 53.050 0.018 0.000 0.849 335 N CB 0.203 38.721 38.487 0.052 0.000 0.992 335 N HN 0.628 nan 8.380 nan 0.000 0.460 336 Q N -0.021 119.783 119.800 0.007 0.000 2.413 336 Q HA 0.603 4.943 4.340 0.000 0.000 0.258 336 Q C 0.083 176.088 176.000 0.008 0.000 1.037 336 Q CA -0.688 55.121 55.803 0.009 0.000 0.764 336 Q CB 1.707 30.447 28.738 0.004 0.000 1.217 336 Q HN 0.216 nan 8.270 nan 0.000 0.490 337 G N 0.000 108.807 108.800 0.011 0.000 5.446 337 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 337 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 337 G CA 0.000 45.106 45.100 0.010 0.000 0.502 337 G HN 0.000 nan 8.290 nan 0.000 0.925