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 3a0h_1_B DATA FIRST_RESID 2 DATA SEQUENCE GLPWYRVHTV LINDPGRLIA AHLMHTALVA GWAGSMALYE LATFDPSDPV DATA SEQUENCE LNPMWRQGMF VLPFMARLGV TGSWSGWSIT GETGIDPGFW SFEGVALAHI DATA SEQUENCE VLSGLLFLAA CWHWVYWDLE LFRDPRTGEP ALDLPKMFGI HLFLAGLLCF DATA SEQUENCE GFGAFHLTGL FGPGMWVSDP YGLTGSVQPV APEWGPDGFN PYNPGGVVAH DATA SEQUENCE HIAAGIVGII AGLFHILVRP PQRLYKALRM GNIETVLSSS IAAVFFAAFV DATA SEQUENCE VAGTMWYGSA TTPIELFGPT RYQWDSSYFQ QEINRRVQAS LASGATLEEA DATA SEQUENCE WSAIPEKLAF YDYIGNNPAK GGLFRTGPMN KGDGIAQAWK GHAVFRNKEG DATA SEQUENCE EELFVRRMPA FFESFPVILT DKNGVVKADI PFRRAESKYS FEQQGVTVSF DATA SEQUENCE YGGELNGQTF TDPPTVKSYA RKAIFGEIFE FDTETLNSDG IFRTSPRGWF DATA SEQUENCE TFAHAVFALL FFFGHIWHGA RTLFRDVFSG IDPELSPE 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 2 G C 0.000 174.881 174.900 -0.032 0.000 0.946 2 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 3 L N 3.702 124.899 121.223 -0.044 0.000 2.262 3 L HA 0.702 5.045 4.340 0.005 0.000 0.288 3 L C -1.645 175.142 176.870 -0.138 0.000 1.035 3 L CA -2.134 52.648 54.840 -0.098 0.000 0.820 3 L CB 0.739 42.749 42.059 -0.082 0.000 1.204 3 L HN 0.219 nan 8.230 nan 0.000 0.424 4 P HA 0.014 nan 4.420 nan 0.000 0.269 4 P C 0.733 177.645 177.300 -0.645 0.000 1.209 4 P CA -0.339 62.536 63.100 -0.375 0.000 0.776 4 P CB 0.408 31.813 31.700 -0.492 0.000 0.876 5 W N 3.023 124.235 121.300 -0.146 0.000 2.304 5 W HA -0.291 4.372 4.660 0.005 0.000 0.315 5 W C 1.898 178.355 176.519 -0.104 0.000 1.233 5 W CA 1.529 58.815 57.345 -0.100 0.000 1.261 5 W CB -2.341 27.114 29.460 -0.009 0.000 1.150 5 W HN 0.506 nan 8.180 nan 0.000 0.494 6 Y N 0.979 120.653 120.300 -1.043 0.000 2.224 6 Y HA 0.021 4.574 4.550 0.005 0.000 0.289 6 Y C 2.645 178.398 175.900 -0.245 0.000 1.146 6 Y CA 1.628 59.402 58.100 -0.545 0.000 1.182 6 Y CB -1.489 36.519 38.460 -0.753 0.000 0.983 6 Y HN -0.188 nan 8.280 nan 0.000 0.524 7 R N 1.276 121.243 120.500 -0.888 0.000 2.237 7 R HA -0.073 4.270 4.340 0.005 0.000 0.219 7 R C 2.353 178.533 176.300 -0.200 0.000 1.080 7 R CA 1.267 57.102 56.100 -0.442 0.000 0.995 7 R CB -0.749 29.225 30.300 -0.544 0.000 0.875 7 R HN 0.569 nan 8.270 nan 0.000 0.462 8 V N -1.291 118.506 119.914 -0.194 0.000 2.626 8 V HA -0.210 3.913 4.120 0.005 0.000 0.252 8 V C 1.561 177.698 176.094 0.072 0.000 1.067 8 V CA 1.590 63.853 62.300 -0.060 0.000 1.081 8 V CB -0.623 31.167 31.823 -0.054 0.000 0.686 8 V HN 0.321 nan 8.190 nan 0.000 0.468 9 H N 0.034 119.116 119.070 0.020 0.000 2.547 9 H HA 0.005 4.564 4.556 0.005 0.000 0.272 9 H C 2.262 177.602 175.328 0.020 0.000 0.989 9 H CA 0.916 56.988 56.048 0.040 0.000 1.214 9 H CB 0.219 30.020 29.762 0.065 0.000 1.389 9 H HN 0.483 nan 8.280 nan 0.000 0.577 10 T N 0.159 114.787 114.554 0.124 0.000 2.867 10 T HA -0.151 4.203 4.350 0.005 0.000 0.268 10 T C 2.176 176.895 174.700 0.033 0.000 1.057 10 T CA 0.756 62.892 62.100 0.060 0.000 1.136 10 T CB -0.263 68.630 68.868 0.041 0.000 0.874 10 T HN 0.097 nan 8.240 nan 0.000 0.466 11 V N 2.065 122.002 119.914 0.040 0.000 2.352 11 V HA -0.402 3.721 4.120 0.005 0.000 0.242 11 V C 2.258 178.337 176.094 -0.026 0.000 1.032 11 V CA 2.535 64.843 62.300 0.013 0.000 1.108 11 V CB -1.557 30.296 31.823 0.050 0.000 0.838 11 V HN 0.409 nan 8.190 nan 0.000 0.488 12 L N -0.144 121.061 121.223 -0.030 0.000 1.915 12 L HA -0.047 4.296 4.340 0.005 0.000 0.225 12 L C 2.142 178.979 176.870 -0.055 0.000 1.084 12 L CA 2.221 57.019 54.840 -0.070 0.000 0.788 12 L CB -1.497 40.521 42.059 -0.068 0.000 0.892 12 L HN 0.579 nan 8.230 nan 0.000 0.434 13 I N -0.935 119.609 120.570 -0.044 0.000 4.631 13 I HA -0.486 3.688 4.170 0.005 0.000 0.055 13 I C 0.819 176.910 176.117 -0.044 0.000 0.621 13 I CA 2.415 63.689 61.300 -0.044 0.000 0.762 13 I CB -1.289 36.687 38.000 -0.040 0.000 0.704 13 I HN 0.945 nan 8.210 nan 0.000 0.164 14 N N 2.130 120.808 118.700 -0.038 0.000 2.418 14 N HA 0.253 4.996 4.740 0.005 0.000 0.283 14 N C 0.292 175.778 175.510 -0.041 0.000 1.267 14 N CA 0.479 53.513 53.050 -0.026 0.000 0.975 14 N CB 0.480 38.966 38.487 -0.002 0.000 1.167 14 N HN 0.739 nan 8.380 nan 0.000 0.581 15 D N -2.464 117.933 120.400 -0.005 0.000 2.739 15 D HA -0.067 4.576 4.640 0.005 0.000 0.240 15 D C -1.866 174.379 176.300 -0.091 0.000 1.114 15 D CA 0.047 54.059 54.000 0.021 0.000 0.695 15 D CB -1.326 39.430 40.800 -0.074 0.000 1.078 15 D HN 0.442 nan 8.370 nan 0.000 0.434 16 P HA -0.100 nan 4.420 nan 0.000 0.219 16 P C 1.662 178.648 177.300 -0.524 0.000 1.144 16 P CA 1.870 64.736 63.100 -0.391 0.000 0.806 16 P CB -0.099 31.274 31.700 -0.544 0.000 0.771 17 G N 0.615 109.163 108.800 -0.421 0.000 2.587 17 G HA2 -0.283 3.680 3.960 0.005 0.000 0.217 17 G HA3 -0.283 3.680 3.960 0.005 0.000 0.217 17 G C 1.516 176.488 174.900 0.120 0.000 1.240 17 G CA 0.691 45.830 45.100 0.065 0.000 0.794 17 G HN 0.251 nan 8.290 nan 0.000 0.580 18 R N -0.263 120.232 120.500 -0.008 0.000 2.159 18 R HA -0.010 4.333 4.340 0.005 0.000 0.237 18 R C 2.480 178.835 176.300 0.091 0.000 1.131 18 R CA 0.982 57.009 56.100 -0.122 0.000 0.982 18 R CB -0.548 29.324 30.300 -0.712 0.000 0.868 18 R HN 0.375 nan 8.270 nan 0.000 0.453 19 L N 1.248 122.461 121.223 -0.016 0.000 2.027 19 L HA -0.136 4.207 4.340 0.005 0.000 0.206 19 L C 2.096 178.969 176.870 0.005 0.000 1.074 19 L CA 1.571 56.382 54.840 -0.047 0.000 0.745 19 L CB -0.333 41.692 42.059 -0.056 0.000 0.898 19 L HN 0.044 nan 8.230 nan 0.000 0.433 20 I N 0.359 120.953 120.570 0.040 0.000 2.151 20 I HA -0.338 3.835 4.170 0.005 0.000 0.243 20 I C 2.624 178.828 176.117 0.144 0.000 1.080 20 I CA 1.688 63.029 61.300 0.069 0.000 1.339 20 I CB -1.858 36.051 38.000 -0.151 0.000 1.039 20 I HN 0.390 nan 8.210 nan 0.000 0.409 21 A N 0.462 123.428 122.820 0.242 0.000 2.070 21 A HA -0.035 4.288 4.320 0.005 0.000 0.220 21 A C 2.506 180.224 177.584 0.223 0.000 1.159 21 A CA 1.694 53.941 52.037 0.349 0.000 0.656 21 A CB -0.512 18.803 19.000 0.525 0.000 0.800 21 A HN 0.460 nan 8.150 nan 0.000 0.453 22 A N -0.252 122.637 122.820 0.114 0.000 1.826 22 A HA -0.057 4.266 4.320 0.005 0.000 0.214 22 A C 1.841 179.410 177.584 -0.025 0.000 1.212 22 A CA 1.502 53.523 52.037 -0.027 0.000 0.605 22 A CB -1.095 17.769 19.000 -0.228 0.000 0.861 22 A HN 0.630 nan 8.150 nan 0.000 0.447 23 H N -0.934 118.184 119.070 0.081 0.000 2.426 23 H HA -0.132 4.427 4.556 0.005 0.000 0.298 23 H C 1.730 177.128 175.328 0.117 0.000 1.107 23 H CA 1.320 57.413 56.048 0.074 0.000 1.298 23 H CB -0.175 29.598 29.762 0.019 0.000 1.377 23 H HN 0.360 nan 8.280 nan 0.000 0.519 24 L N -0.221 121.136 121.223 0.224 0.000 2.551 24 L HA -0.149 4.194 4.340 0.005 0.000 0.230 24 L C 1.527 178.516 176.870 0.199 0.000 1.163 24 L CA 1.340 56.307 54.840 0.211 0.000 0.826 24 L CB -0.211 42.001 42.059 0.254 0.000 0.943 24 L HN 0.342 nan 8.230 nan 0.000 0.452 25 M N -2.425 117.289 119.600 0.189 0.000 2.999 25 M HA 0.014 4.497 4.480 0.005 0.000 0.246 25 M C 2.032 178.435 176.300 0.173 0.000 1.478 25 M CA 0.693 56.103 55.300 0.182 0.000 1.243 25 M CB -0.922 31.771 32.600 0.155 0.000 1.213 25 M HN 0.323 nan 8.290 nan 0.000 0.564 26 H N -0.047 119.074 119.070 0.084 0.000 2.518 26 H HA -0.086 4.473 4.556 0.006 0.000 0.294 26 H C 1.083 176.466 175.328 0.091 0.000 1.083 26 H CA 1.724 57.816 56.048 0.074 0.000 1.264 26 H CB 0.299 30.097 29.762 0.061 0.000 1.370 26 H HN 0.233 nan 8.280 nan 0.000 0.560 27 T N -0.474 114.217 114.554 0.229 0.000 3.009 27 T HA 0.185 4.538 4.350 0.005 0.000 0.258 27 T C 1.934 176.711 174.700 0.128 0.000 1.063 27 T CA 0.706 62.914 62.100 0.180 0.000 1.139 27 T CB -0.157 68.815 68.868 0.174 0.000 0.890 27 T HN 0.498 nan 8.240 nan 0.000 0.471 28 A N 0.193 123.099 122.820 0.144 0.000 2.218 28 A HA 0.292 4.615 4.320 0.005 0.000 0.209 28 A C 1.883 179.544 177.584 0.127 0.000 1.168 28 A CA 0.473 52.602 52.037 0.153 0.000 0.804 28 A CB -0.258 18.872 19.000 0.217 0.000 0.834 28 A HN 0.379 nan 8.150 nan 0.000 0.482 29 L N -1.345 119.926 121.223 0.081 0.000 2.298 29 L HA 0.142 4.485 4.340 0.005 0.000 0.209 29 L C 2.200 179.096 176.870 0.043 0.000 1.084 29 L CA 1.147 56.012 54.840 0.041 0.000 0.816 29 L CB -0.017 42.031 42.059 -0.019 0.000 0.967 29 L HN 0.128 nan 8.230 nan 0.000 0.460 30 V N -0.406 119.508 119.914 -0.000 0.000 2.249 30 V HA -0.163 3.960 4.120 0.005 0.000 0.239 30 V C 2.654 178.876 176.094 0.212 0.000 1.038 30 V CA 1.430 63.761 62.300 0.053 0.000 1.005 30 V CB -0.958 30.860 31.823 -0.008 0.000 0.646 30 V HN 0.465 nan 8.190 nan 0.000 0.455 31 A N 0.498 123.429 122.820 0.185 0.000 1.944 31 A HA -0.331 3.992 4.320 0.005 0.000 0.222 31 A C 2.335 180.083 177.584 0.273 0.000 1.237 31 A CA 2.814 54.994 52.037 0.239 0.000 0.668 31 A CB -1.602 17.483 19.000 0.142 0.000 0.830 31 A HN 0.633 nan 8.150 nan 0.000 0.471 32 G N -2.104 106.817 108.800 0.201 0.000 2.545 32 G HA2 -0.325 3.638 3.960 0.005 0.000 0.217 32 G HA3 -0.325 3.638 3.960 0.005 0.000 0.217 32 G C 1.345 176.348 174.900 0.171 0.000 1.218 32 G CA 1.241 46.438 45.100 0.161 0.000 0.787 32 G HN 0.809 nan 8.290 nan 0.000 0.571 33 W N 2.130 123.456 121.300 0.044 0.000 2.296 33 W HA -0.166 4.498 4.660 0.006 0.000 0.296 33 W C 2.664 179.217 176.519 0.056 0.000 1.220 33 W CA 2.659 60.028 57.345 0.040 0.000 1.223 33 W CB -0.106 29.367 29.460 0.022 0.000 1.139 33 W HN 0.337 nan 8.180 nan 0.000 0.534 34 A N 0.813 123.831 122.820 0.330 0.000 1.824 34 A HA -0.080 4.243 4.320 0.005 0.000 0.215 34 A C 2.308 179.775 177.584 -0.196 0.000 1.209 34 A CA 2.310 54.412 52.037 0.108 0.000 0.614 34 A CB -1.843 17.299 19.000 0.236 0.000 0.852 34 A HN 0.468 nan 8.150 nan 0.000 0.447 35 G N -0.696 108.070 108.800 -0.058 0.000 2.545 35 G HA2 -0.225 3.738 3.960 0.005 0.000 0.222 35 G HA3 -0.225 3.738 3.960 0.005 0.000 0.222 35 G C 1.742 176.564 174.900 -0.130 0.000 1.126 35 G CA 1.629 46.695 45.100 -0.057 0.000 0.754 35 G HN 0.490 nan 8.290 nan 0.000 0.583 36 S N -0.040 115.545 115.700 -0.191 0.000 2.500 36 S HA -0.167 4.306 4.470 0.005 0.000 0.210 36 S C 2.177 176.586 174.600 -0.318 0.000 1.101 36 S CA 1.401 59.454 58.200 -0.245 0.000 1.272 36 S CB -0.550 62.473 63.200 -0.296 0.000 1.071 36 S HN 0.419 nan 8.310 nan 0.000 0.397 37 M N 1.267 120.488 119.600 -0.630 0.000 2.192 37 M HA -0.228 4.255 4.480 0.005 0.000 0.259 37 M C 1.990 178.124 176.300 -0.276 0.000 1.071 37 M CA 1.713 56.723 55.300 -0.484 0.000 1.082 37 M CB -0.497 31.620 32.600 -0.804 0.000 1.373 37 M HN 0.419 nan 8.290 nan 0.000 0.408 38 A N 0.986 123.609 122.820 -0.327 0.000 1.869 38 A HA -0.235 4.088 4.320 0.005 0.000 0.218 38 A C 1.998 179.537 177.584 -0.074 0.000 1.203 38 A CA 2.106 54.047 52.037 -0.160 0.000 0.638 38 A CB -1.174 17.739 19.000 -0.145 0.000 0.831 38 A HN 0.623 nan 8.150 nan 0.000 0.450 39 L N -2.247 118.934 121.223 -0.071 0.000 1.990 39 L HA -0.251 4.092 4.340 0.005 0.000 0.213 39 L C 2.597 179.473 176.870 0.010 0.000 1.072 39 L CA 2.137 56.953 54.840 -0.040 0.000 0.755 39 L CB -0.836 41.188 42.059 -0.058 0.000 0.889 39 L HN 0.597 nan 8.230 nan 0.000 0.432 40 Y N 1.320 121.539 120.300 -0.134 0.000 1.993 40 Y HA -0.364 4.190 4.550 0.006 0.000 0.267 40 Y C 2.598 178.449 175.900 -0.080 0.000 1.155 40 Y CA 1.977 60.012 58.100 -0.108 0.000 1.105 40 Y CB -0.669 37.715 38.460 -0.127 0.000 0.960 40 Y HN 0.187 nan 8.280 nan 0.000 0.486 41 E N -0.631 119.779 120.200 0.350 0.000 2.147 41 E HA -0.271 4.082 4.350 0.005 0.000 0.199 41 E C 2.089 178.768 176.600 0.131 0.000 1.005 41 E CA 1.455 57.978 56.400 0.204 0.000 0.810 41 E CB -0.447 29.264 29.700 0.017 0.000 0.736 41 E HN 0.355 nan 8.360 nan 0.000 0.460 42 L N 0.292 121.544 121.223 0.049 0.000 2.201 42 L HA -0.080 4.263 4.340 0.005 0.000 0.212 42 L C 2.033 178.926 176.870 0.039 0.000 1.105 42 L CA 1.447 56.297 54.840 0.017 0.000 0.775 42 L CB -0.464 41.582 42.059 -0.023 0.000 0.913 42 L HN 0.008 nan 8.230 nan 0.000 0.440 43 A N -2.913 119.909 122.820 0.002 0.000 2.235 43 A HA 0.047 4.370 4.320 0.005 0.000 0.208 43 A C 1.793 179.335 177.584 -0.071 0.000 1.172 43 A CA 1.481 53.474 52.037 -0.075 0.000 0.786 43 A CB -0.394 18.496 19.000 -0.184 0.000 0.804 43 A HN 0.427 nan 8.150 nan 0.000 0.479 44 T N -2.217 112.345 114.554 0.014 0.000 3.029 44 T HA 0.195 4.548 4.350 0.005 0.000 0.256 44 T C 0.079 174.779 174.700 0.001 0.000 0.914 44 T CA -0.538 61.565 62.100 0.004 0.000 0.880 44 T CB -0.139 68.774 68.868 0.075 0.000 1.246 44 T HN 0.321 nan 8.240 nan 0.000 0.523 45 F N 4.027 123.931 119.950 -0.077 0.000 2.607 45 F HA 0.353 4.883 4.527 0.005 0.000 0.374 45 F C 0.163 175.842 175.800 -0.203 0.000 1.104 45 F CA -0.727 57.204 58.000 -0.115 0.000 1.296 45 F CB 0.377 39.319 39.000 -0.097 0.000 1.085 45 F HN -0.056 nan 8.300 nan 0.000 0.584 46 D N 7.578 127.219 120.400 -1.265 0.000 2.278 46 D HA 0.350 4.993 4.640 0.005 0.000 0.245 46 D C -2.186 173.173 176.300 -1.567 0.000 1.052 46 D CA -2.402 50.969 54.000 -1.048 0.000 0.834 46 D CB 2.317 42.753 40.800 -0.607 0.000 1.194 46 D HN 0.278 nan 8.370 nan 0.000 0.481 47 P HA -0.022 nan 4.420 nan 0.000 0.236 47 P C 1.236 178.357 177.300 -0.299 0.000 1.174 47 P CA 0.352 63.098 63.100 -0.590 0.000 0.840 47 P CB 0.209 31.491 31.700 -0.697 0.000 0.947 48 S N 1.409 116.910 115.700 -0.333 0.000 2.511 48 S HA -0.256 4.217 4.470 0.005 0.000 0.282 48 S C 0.501 175.043 174.600 -0.096 0.000 1.179 48 S CA 2.268 60.354 58.200 -0.189 0.000 1.125 48 S CB -1.927 61.155 63.200 -0.196 0.000 1.035 48 S HN 0.483 nan 8.310 nan 0.000 0.452 49 D N -0.805 119.537 120.400 -0.096 0.000 2.478 49 D HA 0.507 5.150 4.640 0.005 0.000 0.240 49 D C -3.067 173.248 176.300 0.025 0.000 1.364 49 D CA -1.969 52.024 54.000 -0.012 0.000 0.987 49 D CB 1.669 42.469 40.800 0.000 0.000 1.328 49 D HN -0.030 nan 8.370 nan 0.000 0.584 50 P HA 0.022 nan 4.420 nan 0.000 0.245 50 P C 0.853 178.233 177.300 0.133 0.000 1.212 50 P CA 0.147 63.337 63.100 0.149 0.000 0.774 50 P CB 0.507 32.329 31.700 0.204 0.000 0.999 51 V N -1.105 118.878 119.914 0.115 0.000 2.326 51 V HA -0.032 4.091 4.120 0.005 0.000 0.238 51 V C 1.821 178.028 176.094 0.189 0.000 1.038 51 V CA 1.376 63.769 62.300 0.154 0.000 1.032 51 V CB -0.855 31.058 31.823 0.150 0.000 0.675 51 V HN 0.013 nan 8.190 nan 0.000 0.467 52 L N -0.440 120.900 121.223 0.194 0.000 2.766 52 L HA 0.406 4.749 4.340 0.005 0.000 0.242 52 L C 0.419 177.355 176.870 0.110 0.000 1.136 52 L CA 0.275 55.329 54.840 0.357 0.000 0.933 52 L CB 0.082 42.401 42.059 0.433 0.000 1.241 52 L HN 0.314 nan 8.230 nan 0.000 0.522 53 N N 0.411 119.079 118.700 -0.054 0.000 2.672 53 N HA 0.255 4.998 4.740 0.005 0.000 0.295 53 N C -2.748 172.644 175.510 -0.196 0.000 1.924 53 N CA -1.209 51.742 53.050 -0.166 0.000 0.851 53 N CB 1.158 39.561 38.487 -0.140 0.000 1.281 53 N HN -0.063 nan 8.380 nan 0.000 0.494 54 P HA 0.138 nan 4.420 nan 0.000 0.276 54 P C 1.431 178.599 177.300 -0.221 0.000 1.244 54 P CA -0.414 62.589 63.100 -0.163 0.000 0.801 54 P CB 0.690 32.279 31.700 -0.185 0.000 1.006 55 M N 1.435 121.123 119.600 0.147 0.000 2.706 55 M HA -0.270 4.213 4.480 0.005 0.000 0.266 55 M C 1.798 178.060 176.300 -0.064 0.000 1.060 55 M CA 2.356 57.745 55.300 0.149 0.000 1.070 55 M CB -1.958 30.583 32.600 -0.098 0.000 1.241 55 M HN 0.395 nan 8.290 nan 0.000 0.488 56 W N 1.064 122.326 121.300 -0.063 0.000 2.264 56 W HA -0.257 4.406 4.660 0.005 0.000 0.293 56 W C 1.773 178.277 176.519 -0.024 0.000 1.225 56 W CA 1.868 59.164 57.345 -0.081 0.000 1.220 56 W CB -1.447 27.938 29.460 -0.125 0.000 1.134 56 W HN 0.415 nan 8.180 nan 0.000 0.544 57 R N 0.611 120.803 120.500 -0.513 0.000 2.062 57 R HA -0.056 4.287 4.340 0.005 0.000 0.226 57 R C 2.350 178.591 176.300 -0.098 0.000 1.125 57 R CA 1.316 57.223 56.100 -0.323 0.000 0.966 57 R CB -0.729 29.260 30.300 -0.518 0.000 0.861 57 R HN 0.262 nan 8.270 nan 0.000 0.433 58 Q N 0.146 119.884 119.800 -0.102 0.000 2.615 58 Q HA -0.046 4.297 4.340 0.005 0.000 0.220 58 Q C 0.326 176.351 176.000 0.040 0.000 0.981 58 Q CA 0.708 56.500 55.803 -0.019 0.000 0.939 58 Q CB 0.067 28.808 28.738 0.005 0.000 0.982 58 Q HN 0.577 nan 8.270 nan 0.000 0.550 59 G N 1.124 109.964 108.800 0.066 0.000 2.272 59 G HA2 -0.238 3.725 3.960 0.005 0.000 0.280 59 G HA3 -0.238 3.725 3.960 0.005 0.000 0.280 59 G C -0.093 174.861 174.900 0.089 0.000 1.067 59 G CA -0.157 45.004 45.100 0.101 0.000 0.902 59 G HN 0.120 nan 8.290 nan 0.000 0.500 60 M N -0.642 119.008 119.600 0.084 0.000 2.188 60 M HA 0.547 5.031 4.480 0.005 0.000 0.357 60 M C 0.886 177.225 176.300 0.065 0.000 1.204 60 M CA -0.873 54.454 55.300 0.044 0.000 1.095 60 M CB 0.982 33.568 32.600 -0.023 0.000 1.604 60 M HN 0.275 nan 8.290 nan 0.000 0.464 61 F N 3.065 122.975 119.950 -0.066 0.000 2.619 61 F HA 0.192 4.721 4.527 0.005 0.000 0.281 61 F C 1.159 176.970 175.800 0.019 0.000 1.065 61 F CA 0.645 58.633 58.000 -0.021 0.000 1.304 61 F CB 0.396 39.460 39.000 0.106 0.000 1.059 61 F HN 0.312 nan 8.300 nan 0.000 0.648 62 V N 0.747 120.575 119.914 -0.144 0.000 2.949 62 V HA -0.011 4.112 4.120 0.005 0.000 0.245 62 V C 2.054 178.132 176.094 -0.026 0.000 1.086 62 V CA 1.165 63.426 62.300 -0.065 0.000 1.097 62 V CB 0.332 32.214 31.823 0.098 0.000 0.762 62 V HN 0.408 nan 8.190 nan 0.000 0.470 63 L N 0.892 122.040 121.223 -0.126 0.000 2.291 63 L HA 0.014 4.357 4.340 0.005 0.000 0.214 63 L C -0.401 176.362 176.870 -0.178 0.000 1.120 63 L CA 1.477 56.240 54.840 -0.127 0.000 0.799 63 L CB -0.924 40.960 42.059 -0.292 0.000 0.925 63 L HN 0.277 nan 8.230 nan 0.000 0.446 64 P HA -0.179 nan 4.420 nan 0.000 0.217 64 P C 1.070 178.174 177.300 -0.327 0.000 1.148 64 P CA 1.645 64.443 63.100 -0.504 0.000 0.828 64 P CB -0.068 31.048 31.700 -0.973 0.000 0.783 65 F N -1.934 118.019 119.950 0.005 0.000 2.113 65 F HA -0.075 4.455 4.527 0.005 0.000 0.297 65 F C 2.317 178.162 175.800 0.076 0.000 1.103 65 F CA 1.042 59.087 58.000 0.075 0.000 1.248 65 F CB -1.617 37.420 39.000 0.061 0.000 0.999 65 F HN -0.217 nan 8.300 nan 0.000 0.475 66 M N 0.299 120.057 119.600 0.265 0.000 2.331 66 M HA -0.242 4.241 4.480 0.005 0.000 0.260 66 M C 2.098 178.470 176.300 0.120 0.000 1.072 66 M CA 1.554 56.977 55.300 0.205 0.000 1.065 66 M CB -0.606 32.195 32.600 0.334 0.000 1.392 66 M HN 0.222 nan 8.290 nan 0.000 0.427 67 A N -0.582 122.303 122.820 0.108 0.000 1.878 67 A HA -0.039 4.284 4.320 0.005 0.000 0.213 67 A C 2.132 179.849 177.584 0.220 0.000 1.192 67 A CA 0.799 52.885 52.037 0.082 0.000 0.619 67 A CB -0.313 18.576 19.000 -0.186 0.000 0.837 67 A HN 0.327 nan 8.150 nan 0.000 0.446 68 R N -0.569 120.057 120.500 0.210 0.000 2.143 68 R HA -0.192 4.151 4.340 0.005 0.000 0.239 68 R C 1.886 178.343 176.300 0.262 0.000 1.126 68 R CA 1.665 57.936 56.100 0.285 0.000 0.927 68 R CB -1.104 29.354 30.300 0.262 0.000 0.860 68 R HN 0.399 nan 8.270 nan 0.000 0.433 69 L N -1.157 120.194 121.223 0.214 0.000 2.127 69 L HA -0.102 4.242 4.340 0.005 0.000 0.211 69 L C 1.815 178.822 176.870 0.227 0.000 1.089 69 L CA 2.345 57.294 54.840 0.182 0.000 0.757 69 L CB -0.842 41.296 42.059 0.131 0.000 0.899 69 L HN 0.686 nan 8.230 nan 0.000 0.434 70 G N -2.661 106.254 108.800 0.192 0.000 2.738 70 G HA2 -0.167 3.796 3.960 0.005 0.000 0.195 70 G HA3 -0.167 3.796 3.960 0.005 0.000 0.195 70 G C 0.116 175.048 174.900 0.053 0.000 1.001 70 G CA -0.090 45.103 45.100 0.156 0.000 0.759 70 G HN 0.036 nan 8.290 nan 0.000 0.494 71 V N 3.605 123.501 119.914 -0.030 0.000 2.400 71 V HA 0.352 4.475 4.120 0.005 0.000 0.263 71 V C 1.789 177.651 176.094 -0.387 0.000 1.026 71 V CA 1.257 63.408 62.300 -0.248 0.000 1.077 71 V CB -0.034 31.564 31.823 -0.375 0.000 1.054 71 V HN 0.598 nan 8.190 nan 0.000 0.477 72 T N 1.246 115.650 114.554 -0.250 0.000 3.044 72 T HA 0.286 4.639 4.350 0.005 0.000 0.255 72 T C 0.880 175.440 174.700 -0.234 0.000 1.073 72 T CA 0.576 62.603 62.100 -0.121 0.000 1.125 72 T CB 0.392 69.297 68.868 0.063 0.000 0.908 72 T HN 0.803 nan 8.240 nan 0.000 0.480 73 G N 0.392 108.938 108.800 -0.423 0.000 2.714 73 G HA2 0.558 4.521 3.960 0.005 0.000 0.292 73 G HA3 0.558 4.521 3.960 0.005 0.000 0.292 73 G C -1.426 173.224 174.900 -0.417 0.000 1.308 73 G CA -0.647 44.209 45.100 -0.407 0.000 0.964 73 G HN 0.290 nan 8.290 nan 0.000 0.484 74 S N -1.339 114.045 115.700 -0.526 0.000 2.537 74 S HA 0.391 4.864 4.470 0.005 0.000 0.301 74 S C 0.217 174.823 174.600 0.011 0.000 1.092 74 S CA -0.636 57.466 58.200 -0.163 0.000 1.048 74 S CB 0.656 63.663 63.200 -0.321 0.000 1.053 74 S HN 0.482 nan 8.310 nan 0.000 0.501 75 W N 2.530 123.765 121.300 -0.107 0.000 2.596 75 W HA 0.070 4.733 4.660 0.005 0.000 0.255 75 W C 1.438 177.965 176.519 0.014 0.000 1.232 75 W CA 0.012 57.318 57.345 -0.064 0.000 1.230 75 W CB -1.310 28.106 29.460 -0.075 0.000 1.141 75 W HN 0.514 nan 8.180 nan 0.000 0.628 76 S N -0.084 115.788 115.700 0.286 0.000 2.602 76 S HA 0.377 4.850 4.470 0.005 0.000 0.246 76 S C 1.606 176.455 174.600 0.416 0.000 1.009 76 S CA 0.357 58.782 58.200 0.374 0.000 1.052 76 S CB -0.373 63.156 63.200 0.549 0.000 0.778 76 S HN 0.454 nan 8.310 nan 0.000 0.455 77 G N 1.983 110.921 108.800 0.230 0.000 2.175 77 G HA2 -0.233 3.731 3.960 0.005 0.000 0.265 77 G HA3 -0.233 3.731 3.960 0.005 0.000 0.265 77 G C 0.010 175.082 174.900 0.286 0.000 0.979 77 G CA 0.710 45.934 45.100 0.207 0.000 0.663 77 G HN 0.642 nan 8.290 nan 0.000 0.533 78 W N -0.511 120.873 121.300 0.139 0.000 2.820 78 W HA 0.863 5.525 4.660 0.004 0.000 0.350 78 W C 0.010 176.649 176.519 0.200 0.000 1.116 78 W CA -0.910 56.528 57.345 0.155 0.000 1.146 78 W CB 1.087 30.642 29.460 0.159 0.000 1.433 78 W HN 0.622 nan 8.180 nan 0.000 0.561 79 S N -0.393 115.552 115.700 0.408 0.000 2.806 79 S HA 0.551 5.024 4.470 0.005 0.000 0.306 79 S C 0.153 175.042 174.600 0.481 0.000 1.167 79 S CA -0.731 57.615 58.200 0.244 0.000 0.847 79 S CB 1.465 64.770 63.200 0.176 0.000 1.216 79 S HN 0.457 nan 8.310 nan 0.000 0.532 80 I N 1.118 121.907 120.570 0.365 0.000 3.645 80 I HA 0.061 4.234 4.170 0.005 0.000 0.300 80 I C 1.692 178.023 176.117 0.356 0.000 1.260 80 I CA 0.488 62.013 61.300 0.375 0.000 1.365 80 I CB -0.151 37.974 38.000 0.209 0.000 1.077 80 I HN 0.662 nan 8.210 nan 0.000 0.439 81 T N -0.257 114.505 114.554 0.346 0.000 2.937 81 T HA 0.162 4.515 4.350 0.005 0.000 0.260 81 T C 1.447 176.299 174.700 0.254 0.000 1.051 81 T CA 0.853 63.147 62.100 0.322 0.000 1.141 81 T CB 0.047 69.067 68.868 0.254 0.000 0.879 81 T HN 0.462 nan 8.240 nan 0.000 0.459 82 G N 1.411 110.363 108.800 0.255 0.000 2.337 82 G HA2 -0.083 3.880 3.960 0.005 0.000 0.134 82 G HA3 -0.083 3.880 3.960 0.005 0.000 0.134 82 G C -0.415 174.593 174.900 0.180 0.000 1.052 82 G CA -0.551 44.683 45.100 0.223 0.000 0.737 82 G HN 0.402 nan 8.290 nan 0.000 0.485 83 E N 0.330 120.640 120.200 0.184 0.000 2.351 83 E HA 0.804 5.157 4.350 0.005 0.000 0.255 83 E C 0.866 177.550 176.600 0.139 0.000 1.188 83 E CA 0.678 57.161 56.400 0.138 0.000 0.940 83 E CB 0.867 30.636 29.700 0.115 0.000 1.094 83 E HN 0.601 nan 8.360 nan 0.000 0.474 84 T N -2.476 112.142 114.554 0.106 0.000 2.916 84 T HA 0.538 4.891 4.350 0.005 0.000 0.305 84 T C 0.828 175.573 174.700 0.075 0.000 1.119 84 T CA -0.419 61.740 62.100 0.099 0.000 1.008 84 T CB 1.546 70.465 68.868 0.086 0.000 1.129 84 T HN 0.680 nan 8.240 nan 0.000 0.480 85 G N 1.819 110.663 108.800 0.073 0.000 2.451 85 G HA2 -0.283 3.680 3.960 0.005 0.000 0.253 85 G HA3 -0.283 3.680 3.960 0.005 0.000 0.253 85 G C 0.319 175.245 174.900 0.043 0.000 1.033 85 G CA 0.576 45.709 45.100 0.055 0.000 0.633 85 G HN 1.517 nan 8.290 nan 0.000 0.537 86 I N 0.715 121.310 120.570 0.041 0.000 2.291 86 I HA 0.605 4.778 4.170 0.005 0.000 0.290 86 I C -0.829 175.293 176.117 0.008 0.000 1.050 86 I CA -0.809 60.505 61.300 0.022 0.000 1.245 86 I CB 0.937 38.950 38.000 0.021 0.000 1.405 86 I HN 0.193 nan 8.210 nan 0.000 0.478 87 D N 5.643 126.037 120.400 -0.010 0.000 2.344 87 D HA 0.606 5.249 4.640 0.005 0.000 0.239 87 D C -2.376 173.872 176.300 -0.086 0.000 1.064 87 D CA -1.620 52.355 54.000 -0.041 0.000 0.829 87 D CB 1.209 41.998 40.800 -0.017 0.000 1.129 87 D HN 0.311 nan 8.370 nan 0.000 0.506 88 P HA 0.200 nan 4.420 nan 0.000 0.271 88 P C 0.759 177.936 177.300 -0.205 0.000 1.228 88 P CA -0.376 62.641 63.100 -0.138 0.000 0.797 88 P CB 0.456 32.060 31.700 -0.160 0.000 0.914 89 G N -0.708 108.004 108.800 -0.147 0.000 2.516 89 G HA2 0.054 4.018 3.960 0.005 0.000 0.276 89 G HA3 0.054 4.018 3.960 0.005 0.000 0.276 89 G C 0.579 175.277 174.900 -0.337 0.000 1.390 89 G CA -0.522 44.476 45.100 -0.170 0.000 1.050 89 G HN 0.554 nan 8.290 nan 0.000 0.519 90 F N -0.831 118.791 119.950 -0.547 0.000 2.111 90 F HA -0.110 4.419 4.527 0.004 0.000 0.300 90 F C 1.079 176.458 175.800 -0.702 0.000 1.088 90 F CA 0.791 58.283 58.000 -0.845 0.000 1.243 90 F CB 0.160 38.697 39.000 -0.772 0.000 0.996 90 F HN 0.241 nan 8.300 nan 0.000 0.483 91 W N 2.918 124.334 121.300 0.193 0.000 1.564 91 W HA 0.222 4.887 4.660 0.007 0.000 0.480 91 W C 0.298 176.794 176.519 -0.038 0.000 0.699 91 W CA 0.221 57.660 57.345 0.158 0.000 1.985 91 W CB -0.777 28.724 29.460 0.068 0.000 1.738 91 W HN -0.089 nan 8.180 nan 0.000 0.218 92 S N 1.213 116.923 115.700 0.018 0.000 2.557 92 S HA 0.378 4.851 4.470 0.005 0.000 0.291 92 S C 0.917 175.632 174.600 0.193 0.000 1.116 92 S CA -0.594 57.573 58.200 -0.054 0.000 0.992 92 S CB 0.560 63.667 63.200 -0.154 0.000 1.028 92 S HN 0.159 nan 8.310 nan 0.000 0.484 93 F N 2.619 122.641 119.950 0.121 0.000 2.130 93 F HA -0.345 4.184 4.527 0.005 0.000 0.263 93 F C 2.221 178.092 175.800 0.120 0.000 1.091 93 F CA 2.686 60.739 58.000 0.089 0.000 1.478 93 F CB -1.563 37.443 39.000 0.010 0.000 0.869 93 F HN 0.676 nan 8.300 nan 0.000 0.481 94 E N -0.163 120.249 120.200 0.354 0.000 2.065 94 E HA -0.145 4.209 4.350 0.005 0.000 0.201 94 E C 2.532 179.222 176.600 0.150 0.000 1.016 94 E CA 1.484 57.909 56.400 0.042 0.000 0.818 94 E CB -1.175 28.119 29.700 -0.676 0.000 0.749 94 E HN 0.505 nan 8.360 nan 0.000 0.453 95 G N 0.412 109.437 108.800 0.375 0.000 2.545 95 G HA2 -0.311 3.652 3.960 0.005 0.000 0.217 95 G HA3 -0.311 3.652 3.960 0.005 0.000 0.217 95 G C 1.755 176.871 174.900 0.361 0.000 1.218 95 G CA 1.610 46.845 45.100 0.225 0.000 0.787 95 G HN 0.233 nan 8.290 nan 0.000 0.571 96 V N 1.545 121.690 119.914 0.384 0.000 2.357 96 V HA -0.264 3.859 4.120 0.005 0.000 0.257 96 V C 3.149 179.406 176.094 0.272 0.000 1.082 96 V CA 2.469 65.001 62.300 0.387 0.000 1.078 96 V CB -1.061 30.922 31.823 0.267 0.000 0.663 96 V HN 0.590 nan 8.190 nan 0.000 0.455 97 A N -0.352 122.579 122.820 0.184 0.000 1.859 97 A HA 0.038 4.361 4.320 0.005 0.000 0.212 97 A C 2.146 179.820 177.584 0.150 0.000 1.238 97 A CA 1.052 53.148 52.037 0.098 0.000 0.613 97 A CB -0.633 18.387 19.000 0.034 0.000 0.904 97 A HN 0.376 nan 8.150 nan 0.000 0.457 98 L N -0.033 121.259 121.223 0.115 0.000 2.357 98 L HA -0.201 4.142 4.340 0.005 0.000 0.220 98 L C 2.122 179.128 176.870 0.226 0.000 1.123 98 L CA 2.233 57.139 54.840 0.111 0.000 0.782 98 L CB -1.323 40.761 42.059 0.040 0.000 0.910 98 L HN 0.431 nan 8.230 nan 0.000 0.442 99 A N -0.125 122.889 122.820 0.324 0.000 1.861 99 A HA -0.198 4.125 4.320 0.005 0.000 0.214 99 A C 1.821 179.603 177.584 0.330 0.000 1.322 99 A CA 1.196 53.465 52.037 0.387 0.000 0.601 99 A CB -1.152 18.184 19.000 0.559 0.000 0.966 99 A HN 0.553 nan 8.150 nan 0.000 0.471 100 H N 0.118 119.289 119.070 0.169 0.000 2.501 100 H HA -0.147 4.412 4.556 0.005 0.000 0.296 100 H C 1.745 177.136 175.328 0.105 0.000 1.115 100 H CA 1.480 57.607 56.048 0.131 0.000 1.242 100 H CB -0.420 29.416 29.762 0.124 0.000 1.363 100 H HN 0.325 nan 8.280 nan 0.000 0.537 101 I N 0.109 120.813 120.570 0.222 0.000 2.252 101 I HA -0.181 3.992 4.170 0.005 0.000 0.245 101 I C 2.405 178.591 176.117 0.115 0.000 1.102 101 I CA 1.127 62.506 61.300 0.132 0.000 1.385 101 I CB -1.078 36.976 38.000 0.089 0.000 1.064 101 I HN 0.237 nan 8.210 nan 0.000 0.414 102 V N -0.680 119.310 119.914 0.127 0.000 2.453 102 V HA -0.158 3.965 4.120 0.005 0.000 0.247 102 V C 2.475 178.629 176.094 0.100 0.000 1.048 102 V CA 0.785 63.149 62.300 0.107 0.000 1.049 102 V CB -1.292 30.597 31.823 0.111 0.000 0.672 102 V HN 0.300 nan 8.190 nan 0.000 0.457 103 L N 3.028 124.309 121.223 0.097 0.000 1.924 103 L HA -0.202 4.141 4.340 0.005 0.000 0.222 103 L C 2.771 179.697 176.870 0.092 0.000 1.081 103 L CA 3.031 57.912 54.840 0.068 0.000 0.780 103 L CB -1.563 40.503 42.059 0.012 0.000 0.891 103 L HN 0.588 nan 8.230 nan 0.000 0.434 104 S N -0.379 115.385 115.700 0.106 0.000 2.393 104 S HA -0.247 4.226 4.470 0.005 0.000 0.234 104 S C 2.160 176.852 174.600 0.154 0.000 1.064 104 S CA 1.541 59.819 58.200 0.129 0.000 1.088 104 S CB -2.226 61.050 63.200 0.126 0.000 0.939 104 S HN 0.726 nan 8.310 nan 0.000 0.448 105 G N 1.708 110.585 108.800 0.128 0.000 2.475 105 G HA2 -0.107 3.856 3.960 0.005 0.000 0.220 105 G HA3 -0.107 3.856 3.960 0.005 0.000 0.220 105 G C 1.444 176.462 174.900 0.196 0.000 1.125 105 G CA 1.224 46.408 45.100 0.141 0.000 0.755 105 G HN 0.563 nan 8.290 nan 0.000 0.565 106 L N -0.419 120.896 121.223 0.153 0.000 2.168 106 L HA 0.206 4.549 4.340 0.005 0.000 0.203 106 L C 2.754 179.711 176.870 0.146 0.000 1.078 106 L CA 0.105 55.025 54.840 0.134 0.000 0.780 106 L CB -0.521 41.587 42.059 0.082 0.000 0.939 106 L HN 0.118 nan 8.230 nan 0.000 0.451 107 L N -0.364 120.947 121.223 0.147 0.000 2.263 107 L HA -0.250 4.093 4.340 0.005 0.000 0.216 107 L C 2.589 179.580 176.870 0.201 0.000 1.111 107 L CA 1.255 56.186 54.840 0.152 0.000 0.773 107 L CB -0.616 41.530 42.059 0.145 0.000 0.906 107 L HN 0.238 nan 8.230 nan 0.000 0.439 108 F N 0.637 120.643 119.950 0.094 0.000 2.293 108 F HA -0.130 4.400 4.527 0.004 0.000 0.300 108 F C 1.982 177.852 175.800 0.117 0.000 1.086 108 F CA 1.237 59.295 58.000 0.097 0.000 1.375 108 F CB -0.035 39.010 39.000 0.076 0.000 1.045 108 F HN -0.107 nan 8.300 nan 0.000 0.516 109 L N -0.221 121.015 121.223 0.022 0.000 2.071 109 L HA 0.001 4.344 4.340 0.005 0.000 0.201 109 L C 2.860 179.740 176.870 0.017 0.000 1.076 109 L CA 0.971 55.780 54.840 -0.051 0.000 0.755 109 L CB -1.447 40.654 42.059 0.071 0.000 0.915 109 L HN 0.104 nan 8.230 nan 0.000 0.445 110 A N 0.466 123.316 122.820 0.050 0.000 1.997 110 A HA -0.263 4.060 4.320 0.005 0.000 0.221 110 A C 2.462 180.169 177.584 0.206 0.000 1.172 110 A CA 2.021 54.092 52.037 0.056 0.000 0.645 110 A CB -0.768 18.263 19.000 0.052 0.000 0.813 110 A HN 0.448 nan 8.150 nan 0.000 0.454 111 A N -1.136 121.768 122.820 0.141 0.000 1.827 111 A HA -0.262 4.061 4.320 0.005 0.000 0.215 111 A C 2.231 179.902 177.584 0.144 0.000 1.212 111 A CA 1.546 53.672 52.037 0.149 0.000 0.624 111 A CB -1.548 17.470 19.000 0.030 0.000 0.853 111 A HN 0.845 nan 8.150 nan 0.000 0.450 112 C N -0.123 119.111 119.300 -0.111 0.000 2.422 112 C HA -0.066 4.397 4.460 0.005 0.000 0.308 112 C C 1.955 177.053 174.990 0.181 0.000 1.511 112 C CA 0.633 59.616 59.018 -0.058 0.000 1.731 112 C CB -2.144 25.427 27.740 -0.282 0.000 1.581 112 C HN 0.745 nan 8.230 nan 0.000 0.596 113 W N -0.169 121.183 121.300 0.086 0.000 2.783 113 W HA 0.092 4.755 4.660 0.004 0.000 0.287 113 W C 1.808 178.478 176.519 0.252 0.000 1.085 113 W CA 0.991 58.428 57.345 0.153 0.000 1.646 113 W CB -1.171 28.279 29.460 -0.017 0.000 1.135 113 W HN 0.302 nan 8.180 nan 0.000 0.548 114 H N -0.213 119.241 119.070 0.640 0.000 2.561 114 H HA -0.175 4.384 4.556 0.006 0.000 0.289 114 H C 1.631 177.181 175.328 0.369 0.000 1.054 114 H CA 1.624 57.968 56.048 0.494 0.000 1.210 114 H CB -0.683 29.416 29.762 0.561 0.000 1.353 114 H HN 0.357 nan 8.280 nan 0.000 0.601 115 W N 0.168 121.593 121.300 0.208 0.000 2.916 115 W HA -0.111 4.552 4.660 0.006 0.000 0.289 115 W C 1.881 178.488 176.519 0.147 0.000 1.036 115 W CA 0.522 57.963 57.345 0.159 0.000 1.776 115 W CB -0.349 29.156 29.460 0.075 0.000 1.176 115 W HN -0.142 nan 8.180 nan 0.000 0.534 116 V N 1.067 121.131 119.914 0.249 0.000 2.250 116 V HA -0.320 3.803 4.120 0.005 0.000 0.250 116 V C 0.964 176.955 176.094 -0.172 0.000 1.060 116 V CA 1.753 64.048 62.300 -0.008 0.000 1.030 116 V CB -1.224 30.450 31.823 -0.248 0.000 0.643 116 V HN 0.120 nan 8.190 nan 0.000 0.445 117 Y N 1.460 121.588 120.300 -0.288 0.000 2.724 117 Y HA 0.043 4.595 4.550 0.004 0.000 0.354 117 Y C 1.225 177.010 175.900 -0.191 0.000 1.270 117 Y CA -0.359 57.451 58.100 -0.483 0.000 1.902 117 Y CB -0.635 37.106 38.460 -1.199 0.000 1.981 117 Y HN 0.534 nan 8.280 nan 0.000 0.428 118 W N -0.590 120.659 121.300 -0.085 0.000 2.762 118 W HA 0.190 4.853 4.660 0.004 0.000 0.265 118 W C -0.754 175.819 176.519 0.089 0.000 1.263 118 W CA 0.018 57.349 57.345 -0.022 0.000 1.411 118 W CB 0.027 29.321 29.460 -0.277 0.000 1.065 118 W HN 0.256 nan 8.180 nan 0.000 0.609 119 D N 2.670 122.476 120.400 -0.991 0.000 2.456 119 D HA 0.358 5.001 4.640 0.005 0.000 0.219 119 D C -0.445 175.609 176.300 -0.411 0.000 1.126 119 D CA 0.015 53.432 54.000 -0.972 0.000 0.890 119 D CB 0.193 40.068 40.800 -1.543 0.000 1.025 119 D HN -0.050 nan 8.370 nan 0.000 0.511 120 L N 2.269 123.368 121.223 -0.206 0.000 2.319 120 L HA 0.503 4.846 4.340 0.005 0.000 0.267 120 L C 1.412 178.161 176.870 -0.202 0.000 1.011 120 L CA -1.057 53.630 54.840 -0.255 0.000 0.818 120 L CB 1.526 43.333 42.059 -0.421 0.000 1.316 120 L HN 0.229 nan 8.230 nan 0.000 0.432 121 E N 1.243 121.344 120.200 -0.165 0.000 2.021 121 E HA -0.235 4.118 4.350 0.005 0.000 0.200 121 E C 1.831 178.378 176.600 -0.088 0.000 1.015 121 E CA 1.725 58.065 56.400 -0.099 0.000 0.824 121 E CB -0.142 29.511 29.700 -0.079 0.000 0.762 121 E HN 0.563 nan 8.360 nan 0.000 0.454 122 L N 0.216 121.341 121.223 -0.163 0.000 2.151 122 L HA -0.208 4.135 4.340 0.005 0.000 0.215 122 L C 2.055 178.963 176.870 0.063 0.000 1.084 122 L CA 1.815 56.584 54.840 -0.119 0.000 0.764 122 L CB -0.978 40.939 42.059 -0.238 0.000 0.891 122 L HN 0.346 nan 8.230 nan 0.000 0.435 123 F N -1.141 118.831 119.950 0.037 0.000 2.797 123 F HA 0.057 4.587 4.527 0.005 0.000 0.302 123 F C 0.967 176.787 175.800 0.033 0.000 1.130 123 F CA -0.568 57.459 58.000 0.045 0.000 1.387 123 F CB 0.201 39.238 39.000 0.062 0.000 1.107 123 F HN -0.089 nan 8.300 nan 0.000 0.577 124 R N 1.254 121.854 120.500 0.166 0.000 2.343 124 R HA 0.158 4.501 4.340 0.005 0.000 0.320 124 R C -0.841 175.504 176.300 0.075 0.000 0.956 124 R CA -0.511 55.648 56.100 0.098 0.000 0.836 124 R CB 0.817 31.142 30.300 0.042 0.000 1.151 124 R HN -0.016 nan 8.270 nan 0.000 0.450 125 D N 4.741 125.185 120.400 0.074 0.000 2.351 125 D HA 0.089 4.732 4.640 0.005 0.000 0.251 125 D C -1.313 175.012 176.300 0.040 0.000 1.137 125 D CA -1.461 52.575 54.000 0.060 0.000 0.879 125 D CB 1.647 42.484 40.800 0.062 0.000 1.181 125 D HN 0.188 nan 8.370 nan 0.000 0.448 126 P HA -0.207 nan 4.420 nan 0.000 0.199 126 P C 1.316 178.627 177.300 0.019 0.000 1.118 126 P CA 0.945 64.057 63.100 0.021 0.000 0.913 126 P CB 0.024 31.734 31.700 0.018 0.000 0.738 127 R N 1.288 121.799 120.500 0.018 0.000 2.174 127 R HA -0.122 4.221 4.340 0.005 0.000 0.253 127 R C 0.653 176.963 176.300 0.016 0.000 1.165 127 R CA 1.993 58.102 56.100 0.014 0.000 0.984 127 R CB -2.583 27.724 30.300 0.013 0.000 0.873 127 R HN 0.425 nan 8.270 nan 0.000 0.456 128 T N -1.912 112.656 114.554 0.023 0.000 2.845 128 T HA 0.583 4.936 4.350 0.005 0.000 0.288 128 T C 0.492 175.207 174.700 0.026 0.000 0.980 128 T CA -0.329 61.786 62.100 0.025 0.000 1.071 128 T CB 2.006 70.894 68.868 0.033 0.000 0.941 128 T HN 0.276 nan 8.240 nan 0.000 0.487 129 G N 2.862 111.676 108.800 0.024 0.000 3.161 129 G HA2 0.542 4.505 3.960 0.005 0.000 0.293 129 G HA3 0.542 4.505 3.960 0.005 0.000 0.293 129 G C -0.320 174.598 174.900 0.031 0.000 0.893 129 G CA -0.672 44.442 45.100 0.024 0.000 1.756 129 G HN 1.027 nan 8.290 nan 0.000 0.549 130 E N 0.342 120.565 120.200 0.039 0.000 2.383 130 E HA 0.237 4.590 4.350 0.005 0.000 0.274 130 E C -3.280 173.359 176.600 0.065 0.000 1.205 130 E CA -1.579 54.852 56.400 0.051 0.000 0.912 130 E CB 0.669 30.396 29.700 0.046 0.000 1.345 130 E HN 0.095 nan 8.360 nan 0.000 0.413 131 P HA 0.458 nan 4.420 nan 0.000 0.297 131 P C -1.235 176.113 177.300 0.079 0.000 1.342 131 P CA -0.140 63.020 63.100 0.100 0.000 0.801 131 P CB 1.195 32.974 31.700 0.131 0.000 0.920 132 A N 4.052 126.923 122.820 0.084 0.000 2.498 132 A HA 0.716 5.039 4.320 0.005 0.000 0.298 132 A C -1.691 175.940 177.584 0.078 0.000 1.075 132 A CA -0.734 51.345 52.037 0.070 0.000 0.714 132 A CB 1.442 20.484 19.000 0.069 0.000 1.299 132 A HN 0.480 nan 8.150 nan 0.000 0.407 133 L N 1.759 123.017 121.223 0.058 0.000 2.372 133 L HA 0.380 4.723 4.340 0.005 0.000 0.274 133 L C -0.522 176.384 176.870 0.060 0.000 0.988 133 L CA -0.242 54.634 54.840 0.060 0.000 0.833 133 L CB 1.698 43.770 42.059 0.022 0.000 1.236 133 L HN 0.798 nan 8.230 nan 0.000 0.410 134 D N 3.839 124.283 120.400 0.073 0.000 2.383 134 D HA 0.109 4.752 4.640 0.005 0.000 0.252 134 D C 0.343 176.676 176.300 0.056 0.000 1.166 134 D CA 0.039 54.083 54.000 0.073 0.000 0.879 134 D CB 1.264 42.111 40.800 0.077 0.000 1.164 134 D HN 0.437 nan 8.370 nan 0.000 0.462 135 L N 5.441 126.689 121.223 0.042 0.000 2.435 135 L HA 0.209 4.552 4.340 0.005 0.000 0.195 135 L C -0.959 175.969 176.870 0.097 0.000 1.072 135 L CA -0.045 54.823 54.840 0.045 0.000 0.833 135 L CB -1.623 40.431 42.059 -0.009 0.000 1.081 135 L HN 0.322 nan 8.230 nan 0.000 0.485 136 P HA -0.235 nan 4.420 nan 0.000 0.219 136 P C 1.407 178.820 177.300 0.189 0.000 1.145 136 P CA 1.668 64.859 63.100 0.151 0.000 0.813 136 P CB 0.132 31.903 31.700 0.120 0.000 0.771 137 K N -1.746 118.721 120.400 0.113 0.000 2.266 137 K HA 0.112 4.435 4.320 0.005 0.000 0.209 137 K C 2.012 178.606 176.600 -0.009 0.000 1.065 137 K CA 0.235 56.553 56.287 0.052 0.000 0.946 137 K CB -0.581 31.941 32.500 0.038 0.000 1.069 137 K HN -0.137 nan 8.250 nan 0.000 0.472 138 M N 1.102 120.699 119.600 -0.006 0.000 2.345 138 M HA -0.305 4.178 4.480 0.005 0.000 0.253 138 M C 1.833 178.037 176.300 -0.160 0.000 1.068 138 M CA 2.480 57.720 55.300 -0.100 0.000 1.069 138 M CB -0.496 32.092 32.600 -0.021 0.000 1.292 138 M HN 0.321 nan 8.290 nan 0.000 0.430 139 F N 0.716 120.613 119.950 -0.087 0.000 2.000 139 F HA -0.092 4.438 4.527 0.005 0.000 0.296 139 F C 2.149 177.932 175.800 -0.029 0.000 1.159 139 F CA 2.255 60.233 58.000 -0.036 0.000 1.183 139 F CB -1.581 37.401 39.000 -0.029 0.000 0.959 139 F HN 0.247 nan 8.300 nan 0.000 0.490 140 G N 1.103 109.305 108.800 -0.998 0.000 2.606 140 G HA2 -0.318 3.645 3.960 0.005 0.000 0.223 140 G HA3 -0.318 3.645 3.960 0.005 0.000 0.223 140 G C 1.852 176.561 174.900 -0.318 0.000 1.106 140 G CA 1.592 46.215 45.100 -0.794 0.000 0.745 140 G HN 0.571 nan 8.290 nan 0.000 0.597 141 I N -0.218 120.228 120.570 -0.207 0.000 2.072 141 I HA -0.212 3.961 4.170 0.005 0.000 0.235 141 I C 2.488 178.631 176.117 0.042 0.000 1.058 141 I CA 1.766 63.027 61.300 -0.064 0.000 1.320 141 I CB -0.745 37.155 38.000 -0.167 0.000 1.047 141 I HN 0.253 nan 8.210 nan 0.000 0.397 142 H N 0.235 119.326 119.070 0.036 0.000 2.400 142 H HA -0.243 4.316 4.556 0.005 0.000 0.295 142 H C 2.138 177.488 175.328 0.036 0.000 1.118 142 H CA 1.185 57.259 56.048 0.043 0.000 1.256 142 H CB -0.034 29.768 29.762 0.066 0.000 1.365 142 H HN 0.240 nan 8.280 nan 0.000 0.502 143 L N 0.679 121.960 121.223 0.096 0.000 1.956 143 L HA -0.235 4.108 4.340 0.005 0.000 0.216 143 L C 2.240 179.186 176.870 0.127 0.000 1.073 143 L CA 1.722 56.590 54.840 0.046 0.000 0.762 143 L CB -1.297 40.644 42.059 -0.196 0.000 0.889 143 L HN 0.248 nan 8.230 nan 0.000 0.433 144 F N 0.534 120.460 119.950 -0.040 0.000 2.111 144 F HA -0.298 4.232 4.527 0.006 0.000 0.300 144 F C 2.309 178.127 175.800 0.030 0.000 1.088 144 F CA 1.921 59.919 58.000 -0.003 0.000 1.243 144 F CB -0.677 38.316 39.000 -0.012 0.000 0.996 144 F HN 0.158 nan 8.300 nan 0.000 0.483 145 L N -0.546 120.648 121.223 -0.049 0.000 2.027 145 L HA -0.103 4.240 4.340 0.005 0.000 0.206 145 L C 2.814 179.641 176.870 -0.072 0.000 1.074 145 L CA 1.005 55.750 54.840 -0.158 0.000 0.745 145 L CB -1.622 40.410 42.059 -0.045 0.000 0.898 145 L HN 0.177 nan 8.230 nan 0.000 0.433 146 A N 1.155 123.979 122.820 0.007 0.000 1.849 146 A HA -0.225 4.098 4.320 0.005 0.000 0.216 146 A C 2.435 180.035 177.584 0.028 0.000 1.225 146 A CA 2.291 54.339 52.037 0.018 0.000 0.653 146 A CB -1.690 17.341 19.000 0.052 0.000 0.844 146 A HN 0.415 nan 8.150 nan 0.000 0.453 147 G N -0.628 108.213 108.800 0.068 0.000 2.513 147 G HA2 -0.291 3.672 3.960 0.005 0.000 0.219 147 G HA3 -0.291 3.672 3.960 0.005 0.000 0.219 147 G C 1.615 176.588 174.900 0.122 0.000 1.160 147 G CA 1.283 46.444 45.100 0.102 0.000 0.767 147 G HN 0.563 nan 8.290 nan 0.000 0.571 148 L N -0.599 120.658 121.223 0.057 0.000 2.021 148 L HA -0.144 4.199 4.340 0.005 0.000 0.215 148 L C 2.694 179.598 176.870 0.057 0.000 1.074 148 L CA 1.560 56.416 54.840 0.028 0.000 0.760 148 L CB -0.199 41.700 42.059 -0.266 0.000 0.889 148 L HN 0.295 nan 8.230 nan 0.000 0.433 149 L N -0.637 120.582 121.223 -0.006 0.000 2.023 149 L HA -0.220 4.123 4.340 0.005 0.000 0.205 149 L C 2.697 179.585 176.870 0.029 0.000 1.073 149 L CA 1.989 56.819 54.840 -0.017 0.000 0.745 149 L CB -1.046 40.979 42.059 -0.056 0.000 0.900 149 L HN 0.542 nan 8.230 nan 0.000 0.435 150 C N -0.380 118.944 119.300 0.039 0.000 2.391 150 C HA -0.277 4.186 4.460 0.005 0.000 0.276 150 C C 2.815 177.867 174.990 0.102 0.000 1.217 150 C CA 1.389 60.424 59.018 0.029 0.000 1.766 150 C CB -1.434 26.325 27.740 0.032 0.000 2.046 150 C HN 0.675 nan 8.230 nan 0.000 0.475 151 F N 2.072 122.040 119.950 0.031 0.000 2.149 151 F HA 0.204 4.735 4.527 0.006 0.000 0.294 151 F C 2.218 178.060 175.800 0.070 0.000 1.095 151 F CA 1.749 59.773 58.000 0.040 0.000 1.276 151 F CB -1.276 37.738 39.000 0.024 0.000 1.023 151 F HN 0.202 nan 8.300 nan 0.000 0.480 152 G N 0.211 108.744 108.800 -0.446 0.000 2.562 152 G HA2 -0.361 3.602 3.960 0.005 0.000 0.223 152 G HA3 -0.361 3.602 3.960 0.005 0.000 0.223 152 G C 1.564 176.398 174.900 -0.110 0.000 1.102 152 G CA 1.310 46.147 45.100 -0.438 0.000 0.742 152 G HN 0.475 nan 8.290 nan 0.000 0.587 153 F N 1.845 121.677 119.950 -0.197 0.000 2.208 153 F HA 0.266 4.796 4.527 0.006 0.000 0.282 153 F C 2.490 178.270 175.800 -0.033 0.000 1.071 153 F CA 0.764 58.713 58.000 -0.084 0.000 1.228 153 F CB -0.826 38.086 39.000 -0.148 0.000 1.088 153 F HN 0.106 nan 8.300 nan 0.000 0.512 154 G N 0.575 109.258 108.800 -0.196 0.000 2.732 154 G HA2 -0.383 3.581 3.960 0.005 0.000 0.222 154 G HA3 -0.383 3.581 3.960 0.005 0.000 0.222 154 G C 1.718 176.549 174.900 -0.116 0.000 1.203 154 G CA 1.920 46.904 45.100 -0.192 0.000 0.780 154 G HN 0.686 nan 8.290 nan 0.000 0.621 155 A N -1.021 121.755 122.820 -0.074 0.000 1.984 155 A HA 0.459 4.782 4.320 0.005 0.000 0.214 155 A C 2.186 179.882 177.584 0.187 0.000 1.173 155 A CA 0.562 52.632 52.037 0.055 0.000 0.673 155 A CB -0.132 18.978 19.000 0.183 0.000 0.830 155 A HN 0.388 nan 8.150 nan 0.000 0.453 156 F N -1.544 118.320 119.950 -0.144 0.000 2.615 156 F HA 0.014 4.545 4.527 0.005 0.000 0.297 156 F C 2.004 177.860 175.800 0.093 0.000 1.124 156 F CA 0.939 58.937 58.000 -0.004 0.000 1.451 156 F CB 0.172 39.141 39.000 -0.051 0.000 1.103 156 F HN 0.514 nan 8.300 nan 0.000 0.569 157 H N -0.604 118.543 119.070 0.128 0.000 2.917 157 H HA 0.111 4.671 4.556 0.005 0.000 0.247 157 H C 2.200 177.556 175.328 0.046 0.000 1.237 157 H CA 0.410 56.517 56.048 0.098 0.000 1.711 157 H CB -0.311 29.693 29.762 0.403 0.000 1.466 157 H HN -0.138 nan 8.280 nan 0.000 0.560 158 L N 0.900 122.289 121.223 0.277 0.000 2.054 158 L HA -0.277 4.066 4.340 0.005 0.000 0.220 158 L C 2.608 179.513 176.870 0.059 0.000 1.081 158 L CA 2.133 57.024 54.840 0.085 0.000 0.780 158 L CB -1.335 40.604 42.059 -0.200 0.000 0.893 158 L HN 0.637 nan 8.230 nan 0.000 0.438 159 T N -2.721 111.855 114.554 0.038 0.000 3.052 159 T HA -0.018 4.335 4.350 0.005 0.000 0.270 159 T C 1.557 176.291 174.700 0.056 0.000 1.147 159 T CA 0.948 63.072 62.100 0.039 0.000 1.089 159 T CB -0.341 68.570 68.868 0.071 0.000 0.875 159 T HN 0.686 nan 8.240 nan 0.000 0.541 160 G N 0.454 109.297 108.800 0.072 0.000 2.205 160 G HA2 -0.303 3.660 3.960 0.005 0.000 0.261 160 G HA3 -0.303 3.660 3.960 0.005 0.000 0.261 160 G C 0.576 175.501 174.900 0.042 0.000 0.980 160 G CA 0.458 45.587 45.100 0.049 0.000 0.632 160 G HN 0.587 nan 8.290 nan 0.000 0.533 161 L N -0.545 120.718 121.223 0.067 0.000 1.970 161 L HA 0.338 4.682 4.340 0.005 0.000 0.212 161 L C 1.194 178.071 176.870 0.012 0.000 1.071 161 L CA 2.264 57.138 54.840 0.056 0.000 0.751 161 L CB -0.296 41.849 42.059 0.143 0.000 0.889 161 L HN 0.379 nan 8.230 nan 0.000 0.432 162 F N 0.658 120.450 119.950 -0.263 0.000 2.453 162 F HA 0.584 5.114 4.527 0.005 0.000 0.358 162 F C 0.270 175.860 175.800 -0.350 0.000 1.129 162 F CA -0.398 57.350 58.000 -0.419 0.000 1.200 162 F CB -0.035 38.441 39.000 -0.873 0.000 1.431 162 F HN 0.253 nan 8.300 nan 0.000 0.503 163 G N 5.080 113.868 108.800 -0.021 0.000 2.316 163 G HA2 0.088 4.051 3.960 0.005 0.000 0.349 163 G HA3 0.088 4.051 3.960 0.005 0.000 0.349 163 G C -3.391 171.404 174.900 -0.175 0.000 1.274 163 G CA -0.814 44.105 45.100 -0.301 0.000 1.018 163 G HN 0.307 nan 8.290 nan 0.000 0.486 164 P HA 0.503 nan 4.420 nan 0.000 0.285 164 P C 1.005 178.380 177.300 0.126 0.000 1.269 164 P CA 0.525 63.620 63.100 -0.009 0.000 0.844 164 P CB 1.464 33.173 31.700 0.016 0.000 1.094 165 G N 1.643 110.509 108.800 0.111 0.000 2.611 165 G HA2 0.336 4.299 3.960 0.005 0.000 0.147 165 G HA3 0.336 4.299 3.960 0.005 0.000 0.147 165 G C 0.227 175.233 174.900 0.177 0.000 1.798 165 G CA 0.292 45.469 45.100 0.128 0.000 0.973 165 G HN 0.732 nan 8.290 nan 0.000 0.416 166 M N -2.948 116.721 119.600 0.114 0.000 2.471 166 M HA 0.344 4.827 4.480 0.005 0.000 0.284 166 M C -1.312 175.071 176.300 0.138 0.000 1.203 166 M CA -0.983 54.407 55.300 0.150 0.000 0.915 166 M CB 2.199 34.863 32.600 0.107 0.000 1.734 166 M HN 0.533 nan 8.290 nan 0.000 0.485 167 W N 4.078 125.416 121.300 0.062 0.000 2.385 167 W HA 0.452 5.116 4.660 0.005 0.000 0.336 167 W C -2.003 174.541 176.519 0.041 0.000 1.351 167 W CA 0.806 58.186 57.345 0.058 0.000 1.295 167 W CB 0.543 30.048 29.460 0.074 0.000 1.239 167 W HN 0.678 nan 8.180 nan 0.000 0.565 168 V N 4.672 124.211 119.914 -0.625 0.000 3.242 168 V HA 0.519 4.642 4.120 0.005 0.000 0.298 168 V C -0.193 175.613 176.094 -0.480 0.000 1.352 168 V CA -0.356 61.726 62.300 -0.362 0.000 1.052 168 V CB 1.823 33.544 31.823 -0.169 0.000 1.101 168 V HN 0.685 nan 8.190 nan 0.000 0.446 169 S N 0.364 115.939 115.700 -0.208 0.000 2.764 169 S HA 0.716 5.189 4.470 0.005 0.000 0.289 169 S C -2.295 172.291 174.600 -0.023 0.000 1.235 169 S CA -0.739 57.383 58.200 -0.130 0.000 1.081 169 S CB 2.011 65.153 63.200 -0.096 0.000 1.319 169 S HN 0.728 nan 8.310 nan 0.000 0.492 170 D N 0.917 121.329 120.400 0.021 0.000 2.787 170 D HA 0.423 5.066 4.640 0.005 0.000 0.215 170 D C -2.607 173.745 176.300 0.087 0.000 1.246 170 D CA -0.708 53.325 54.000 0.054 0.000 0.798 170 D CB 1.958 42.786 40.800 0.047 0.000 1.649 170 D HN 0.281 nan 8.370 nan 0.000 0.507 171 P HA -0.228 nan 4.420 nan 0.000 0.200 171 P C -0.443 176.908 177.300 0.086 0.000 1.160 171 P CA 1.313 64.468 63.100 0.092 0.000 0.840 171 P CB -0.652 31.154 31.700 0.178 0.000 1.162 172 Y N -1.958 118.316 120.300 -0.043 0.000 2.634 172 Y HA 0.518 5.071 4.550 0.005 0.000 0.340 172 Y C 1.351 177.207 175.900 -0.074 0.000 1.058 172 Y CA 0.221 58.286 58.100 -0.059 0.000 1.081 172 Y CB 1.422 39.863 38.460 -0.033 0.000 1.295 172 Y HN 0.069 nan 8.280 nan 0.000 0.487 173 G N 1.916 110.003 108.800 -1.188 0.000 2.620 173 G HA2 -0.319 3.645 3.960 0.005 0.000 0.315 173 G HA3 -0.319 3.645 3.960 0.005 0.000 0.315 173 G C -0.908 173.710 174.900 -0.471 0.000 1.179 173 G CA 0.334 44.964 45.100 -0.783 0.000 0.971 173 G HN 0.771 nan 8.290 nan 0.000 0.544 174 L N 2.327 123.329 121.223 -0.368 0.000 2.485 174 L HA 0.449 4.792 4.340 0.005 0.000 0.275 174 L C 1.667 178.454 176.870 -0.138 0.000 1.207 174 L CA 1.189 55.923 54.840 -0.176 0.000 0.855 174 L CB 0.179 42.260 42.059 0.037 0.000 1.114 174 L HN 0.887 nan 8.230 nan 0.000 0.485 175 T N -1.771 112.695 114.554 -0.146 0.000 3.268 175 T HA 0.423 4.777 4.350 0.005 0.000 0.258 175 T C 0.720 175.374 174.700 -0.076 0.000 0.966 175 T CA -0.320 61.719 62.100 -0.101 0.000 0.952 175 T CB -0.144 68.648 68.868 -0.127 0.000 1.132 175 T HN 0.718 nan 8.240 nan 0.000 0.536 176 G N 0.877 109.655 108.800 -0.037 0.000 2.647 176 G HA2 0.420 4.383 3.960 0.005 0.000 0.234 176 G HA3 0.420 4.383 3.960 0.005 0.000 0.234 176 G C -0.313 174.154 174.900 -0.722 0.000 1.252 176 G CA -0.059 44.831 45.100 -0.350 0.000 0.846 176 G HN 0.683 nan 8.290 nan 0.000 0.589 177 S N -1.537 113.359 115.700 -1.340 0.000 2.643 177 S HA 0.354 4.827 4.470 0.005 0.000 0.266 177 S C -1.430 172.684 174.600 -0.811 0.000 1.130 177 S CA -0.198 57.438 58.200 -0.941 0.000 0.817 177 S CB 1.333 64.328 63.200 -0.341 0.000 1.107 177 S HN 1.374 nan 8.310 nan 0.000 0.471 178 V N 3.163 122.918 119.914 -0.265 0.000 2.311 178 V HA 0.630 4.753 4.120 0.005 0.000 0.275 178 V C -0.739 175.325 176.094 -0.050 0.000 1.022 178 V CA 0.222 62.486 62.300 -0.059 0.000 0.830 178 V CB 0.454 32.365 31.823 0.147 0.000 1.012 178 V HN 0.837 nan 8.190 nan 0.000 0.452 179 Q N 7.673 127.431 119.800 -0.070 0.000 2.496 179 Q HA 0.600 4.944 4.340 0.005 0.000 0.286 179 Q C -2.700 173.293 176.000 -0.011 0.000 1.103 179 Q CA -2.169 53.610 55.803 -0.040 0.000 0.813 179 Q CB 2.664 31.363 28.738 -0.065 0.000 1.444 179 Q HN 0.504 nan 8.270 nan 0.000 0.443 180 P HA 0.100 nan 4.420 nan 0.000 0.275 180 P C -0.888 176.409 177.300 -0.006 0.000 1.227 180 P CA -0.051 63.057 63.100 0.014 0.000 0.781 180 P CB 0.927 32.637 31.700 0.017 0.000 0.906 181 V N 2.536 122.443 119.914 -0.012 0.000 2.581 181 V HA 0.566 4.690 4.120 0.005 0.000 0.303 181 V C 0.393 176.457 176.094 -0.050 0.000 1.041 181 V CA -0.842 61.434 62.300 -0.041 0.000 0.907 181 V CB 1.648 33.432 31.823 -0.064 0.000 0.994 181 V HN 0.721 nan 8.190 nan 0.000 0.442 182 A N 6.572 129.358 122.820 -0.057 0.000 2.253 182 A HA 0.729 5.052 4.320 0.005 0.000 0.316 182 A C -2.273 175.228 177.584 -0.139 0.000 1.327 182 A CA -1.655 50.346 52.037 -0.060 0.000 0.917 182 A CB 0.369 19.357 19.000 -0.019 0.000 1.162 182 A HN 0.641 nan 8.150 nan 0.000 0.535 183 P HA 0.001 nan 4.420 nan 0.000 0.262 183 P C -0.577 176.394 177.300 -0.548 0.000 1.199 183 P CA 0.422 63.219 63.100 -0.504 0.000 0.763 183 P CB 0.681 31.927 31.700 -0.756 0.000 0.790 184 E N 3.287 123.236 120.200 -0.419 0.000 2.114 184 E HA 0.143 4.496 4.350 0.005 0.000 0.266 184 E C -0.312 176.187 176.600 -0.167 0.000 0.896 184 E CA -0.590 55.699 56.400 -0.185 0.000 0.750 184 E CB 0.451 30.119 29.700 -0.053 0.000 1.121 184 E HN 0.384 nan 8.360 nan 0.000 0.413 185 W N 3.351 124.682 121.300 0.053 0.000 3.003 185 W HA 0.245 4.908 4.660 0.005 0.000 0.257 185 W C 1.256 177.850 176.519 0.124 0.000 1.308 185 W CA -0.029 57.366 57.345 0.084 0.000 1.529 185 W CB -0.241 29.262 29.460 0.072 0.000 1.115 185 W HN 0.507 nan 8.180 nan 0.000 0.659 186 G N 2.838 111.820 108.800 0.304 0.000 2.825 186 G HA2 -0.029 3.934 3.960 0.005 0.000 0.241 186 G HA3 -0.029 3.934 3.960 0.005 0.000 0.241 186 G C -0.672 174.364 174.900 0.226 0.000 1.239 186 G CA -0.355 44.871 45.100 0.211 0.000 0.859 186 G HN -0.023 nan 8.290 nan 0.000 0.598 187 P HA -0.156 nan 4.420 nan 0.000 0.216 187 P C 0.913 178.348 177.300 0.225 0.000 1.150 187 P CA 1.607 64.787 63.100 0.133 0.000 0.843 187 P CB 0.158 31.875 31.700 0.028 0.000 0.787 188 D N -0.208 120.292 120.400 0.166 0.000 2.390 188 D HA -0.007 4.636 4.640 0.005 0.000 0.235 188 D C 1.956 178.347 176.300 0.153 0.000 1.040 188 D CA 0.573 54.661 54.000 0.146 0.000 0.923 188 D CB -0.967 39.886 40.800 0.088 0.000 0.886 188 D HN 0.111 nan 8.370 nan 0.000 0.532 189 G N -1.165 107.768 108.800 0.222 0.000 2.848 189 G HA2 -0.121 3.842 3.960 0.005 0.000 0.208 189 G HA3 -0.121 3.842 3.960 0.005 0.000 0.208 189 G C 0.751 175.586 174.900 -0.109 0.000 1.152 189 G CA 0.025 45.150 45.100 0.042 0.000 0.789 189 G HN 0.250 nan 8.290 nan 0.000 0.531 190 F N -0.205 119.740 119.950 -0.009 0.000 2.731 190 F HA 0.262 4.792 4.527 0.006 0.000 0.298 190 F C 1.160 176.927 175.800 -0.054 0.000 1.106 190 F CA -1.112 56.873 58.000 -0.024 0.000 1.329 190 F CB -0.051 38.947 39.000 -0.004 0.000 1.100 190 F HN 0.026 nan 8.300 nan 0.000 0.592 191 N N 4.102 122.867 118.700 0.108 0.000 2.400 191 N HA -0.007 4.736 4.740 0.005 0.000 0.278 191 N C -1.450 174.020 175.510 -0.067 0.000 1.247 191 N CA -1.016 52.052 53.050 0.030 0.000 0.970 191 N CB 0.662 39.198 38.487 0.082 0.000 1.312 191 N HN -0.094 nan 8.380 nan 0.000 0.488 192 P HA -0.278 nan 4.420 nan 0.000 0.222 192 P C 0.542 177.722 177.300 -0.199 0.000 1.155 192 P CA 1.703 64.645 63.100 -0.263 0.000 0.890 192 P CB -0.068 31.390 31.700 -0.403 0.000 0.790 193 Y N -0.051 120.242 120.300 -0.011 0.000 2.128 193 Y HA -0.092 4.461 4.550 0.005 0.000 0.284 193 Y C 1.686 177.572 175.900 -0.023 0.000 1.154 193 Y CA 0.197 58.292 58.100 -0.009 0.000 1.149 193 Y CB -1.939 36.523 38.460 0.003 0.000 0.976 193 Y HN 0.056 nan 8.280 nan 0.000 0.505 194 N N 2.339 121.112 118.700 0.121 0.000 2.394 194 N HA -0.075 4.668 4.740 0.005 0.000 0.277 194 N C -2.088 173.412 175.510 -0.015 0.000 1.346 194 N CA -0.642 52.435 53.050 0.045 0.000 0.910 194 N CB 0.846 39.348 38.487 0.024 0.000 1.201 194 N HN 0.074 nan 8.380 nan 0.000 0.488 195 P HA -0.097 nan 4.420 nan 0.000 0.214 195 P C 1.302 178.543 177.300 -0.098 0.000 1.163 195 P CA 1.431 64.502 63.100 -0.049 0.000 0.889 195 P CB -0.087 31.593 31.700 -0.033 0.000 0.790 196 G N -0.094 108.650 108.800 -0.093 0.000 2.547 196 G HA2 -0.300 3.664 3.960 0.005 0.000 0.221 196 G HA3 -0.300 3.664 3.960 0.005 0.000 0.221 196 G C 1.754 176.537 174.900 -0.196 0.000 1.140 196 G CA 1.120 46.138 45.100 -0.137 0.000 0.760 196 G HN 0.418 nan 8.290 nan 0.000 0.583 197 G N -0.461 108.239 108.800 -0.166 0.000 2.601 197 G HA2 0.019 3.982 3.960 0.005 0.000 0.214 197 G HA3 0.019 3.982 3.960 0.005 0.000 0.214 197 G C 1.358 176.095 174.900 -0.273 0.000 1.132 197 G CA 1.171 46.141 45.100 -0.217 0.000 0.761 197 G HN 0.418 nan 8.290 nan 0.000 0.550 198 V N -0.467 119.293 119.914 -0.258 0.000 2.627 198 V HA -0.022 4.101 4.120 0.005 0.000 0.239 198 V C 2.726 178.620 176.094 -0.332 0.000 1.077 198 V CA 0.686 62.801 62.300 -0.308 0.000 1.103 198 V CB 0.099 31.758 31.823 -0.273 0.000 0.802 198 V HN 0.165 nan 8.190 nan 0.000 0.482 199 V N 1.221 120.958 119.914 -0.294 0.000 2.469 199 V HA -0.241 3.882 4.120 0.005 0.000 0.251 199 V C 2.709 178.609 176.094 -0.323 0.000 1.064 199 V CA 2.039 64.167 62.300 -0.287 0.000 1.066 199 V CB -1.260 30.423 31.823 -0.234 0.000 0.667 199 V HN 0.528 nan 8.190 nan 0.000 0.461 200 A N -0.131 122.425 122.820 -0.439 0.000 1.969 200 A HA -0.242 4.082 4.320 0.005 0.000 0.218 200 A C 2.119 179.480 177.584 -0.371 0.000 1.169 200 A CA 1.965 53.585 52.037 -0.694 0.000 0.635 200 A CB -0.725 17.796 19.000 -0.797 0.000 0.810 200 A HN 0.779 nan 8.150 nan 0.000 0.445 201 H N -1.446 117.423 119.070 -0.336 0.000 2.333 201 H HA -0.091 4.468 4.556 0.005 0.000 0.302 201 H C 1.909 177.210 175.328 -0.046 0.000 1.075 201 H CA 2.112 58.031 56.048 -0.215 0.000 1.348 201 H CB -0.370 29.198 29.762 -0.323 0.000 1.393 201 H HN 0.689 nan 8.280 nan 0.000 0.509 202 H N -0.527 118.479 119.070 -0.106 0.000 2.326 202 H HA -0.083 4.476 4.556 0.005 0.000 0.301 202 H C 2.477 177.790 175.328 -0.026 0.000 1.081 202 H CA 0.928 56.922 56.048 -0.090 0.000 1.334 202 H CB 0.153 29.860 29.762 -0.093 0.000 1.385 202 H HN 0.400 nan 8.280 nan 0.000 0.504 203 I N 0.694 121.351 120.570 0.145 0.000 2.208 203 I HA -0.274 3.899 4.170 0.005 0.000 0.245 203 I C 2.394 178.685 176.117 0.291 0.000 1.097 203 I CA 1.289 62.784 61.300 0.325 0.000 1.363 203 I CB -0.160 38.003 38.000 0.272 0.000 1.051 203 I HN 0.268 nan 8.210 nan 0.000 0.413 204 A N 0.503 123.438 122.820 0.191 0.000 1.897 204 A HA 0.005 4.328 4.320 0.005 0.000 0.215 204 A C 2.382 179.989 177.584 0.039 0.000 1.181 204 A CA 1.386 53.540 52.037 0.194 0.000 0.620 204 A CB -0.835 18.334 19.000 0.282 0.000 0.821 204 A HN 0.560 nan 8.150 nan 0.000 0.443 205 A N -0.626 122.134 122.820 -0.101 0.000 2.067 205 A HA 0.303 4.626 4.320 0.005 0.000 0.217 205 A C 2.225 179.821 177.584 0.021 0.000 1.156 205 A CA 1.358 53.333 52.037 -0.103 0.000 0.683 205 A CB -0.990 17.834 19.000 -0.292 0.000 0.808 205 A HN 0.610 nan 8.150 nan 0.000 0.455 206 G N 0.680 109.533 108.800 0.088 0.000 2.421 206 G HA2 -0.214 3.749 3.960 0.005 0.000 0.216 206 G HA3 -0.214 3.749 3.960 0.005 0.000 0.216 206 G C 1.499 176.455 174.900 0.094 0.000 1.171 206 G CA 1.160 46.356 45.100 0.161 0.000 0.775 206 G HN 0.453 nan 8.290 nan 0.000 0.543 207 I N 0.577 121.157 120.570 0.017 0.000 2.068 207 I HA -0.245 3.928 4.170 0.005 0.000 0.238 207 I C 2.773 178.903 176.117 0.021 0.000 1.046 207 I CA 1.137 62.413 61.300 -0.041 0.000 1.306 207 I CB -0.539 37.426 38.000 -0.059 0.000 1.023 207 I HN 0.030 nan 8.210 nan 0.000 0.399 208 V N 1.079 121.013 119.914 0.032 0.000 2.660 208 V HA -0.243 3.880 4.120 0.005 0.000 0.257 208 V C 2.287 178.419 176.094 0.063 0.000 1.088 208 V CA 1.986 64.314 62.300 0.046 0.000 1.106 208 V CB -1.533 30.316 31.823 0.044 0.000 0.686 208 V HN 0.654 nan 8.190 nan 0.000 0.481 209 G N -0.323 108.524 108.800 0.079 0.000 2.447 209 G HA2 -0.036 3.927 3.960 0.005 0.000 0.211 209 G HA3 -0.036 3.927 3.960 0.005 0.000 0.211 209 G C 1.466 176.453 174.900 0.145 0.000 1.184 209 G CA 0.493 45.652 45.100 0.099 0.000 0.813 209 G HN 0.426 nan 8.290 nan 0.000 0.540 210 I N 0.982 121.666 120.570 0.191 0.000 2.068 210 I HA -0.264 3.909 4.170 0.005 0.000 0.238 210 I C 2.725 178.926 176.117 0.139 0.000 1.046 210 I CA 1.292 62.785 61.300 0.321 0.000 1.306 210 I CB -0.476 37.693 38.000 0.282 0.000 1.023 210 I HN 0.117 nan 8.210 nan 0.000 0.399 211 I N 0.942 121.561 120.570 0.082 0.000 2.113 211 I HA -0.402 3.771 4.170 0.005 0.000 0.242 211 I C 2.862 179.043 176.117 0.107 0.000 1.057 211 I CA 1.838 63.174 61.300 0.061 0.000 1.314 211 I CB -0.627 37.414 38.000 0.068 0.000 1.022 211 I HN 0.317 nan 8.210 nan 0.000 0.408 212 A N 0.874 123.760 122.820 0.110 0.000 1.883 212 A HA -0.161 4.162 4.320 0.005 0.000 0.217 212 A C 2.435 180.109 177.584 0.149 0.000 1.186 212 A CA 2.095 54.212 52.037 0.134 0.000 0.624 212 A CB -1.529 17.505 19.000 0.056 0.000 0.822 212 A HN 0.501 nan 8.150 nan 0.000 0.444 213 G N 0.017 108.847 108.800 0.050 0.000 2.545 213 G HA2 -0.251 3.712 3.960 0.005 0.000 0.217 213 G HA3 -0.251 3.712 3.960 0.005 0.000 0.217 213 G C 1.562 176.424 174.900 -0.063 0.000 1.218 213 G CA 1.224 46.312 45.100 -0.020 0.000 0.787 213 G HN 0.442 nan 8.290 nan 0.000 0.571 214 L N -0.620 120.493 121.223 -0.183 0.000 1.963 214 L HA -0.179 4.165 4.340 0.005 0.000 0.220 214 L C 2.584 179.440 176.870 -0.023 0.000 1.076 214 L CA 1.953 56.663 54.840 -0.216 0.000 0.772 214 L CB -0.715 41.202 42.059 -0.237 0.000 0.892 214 L HN 0.295 nan 8.230 nan 0.000 0.435 215 F N 0.167 120.047 119.950 -0.117 0.000 2.063 215 F HA -0.366 4.164 4.527 0.005 0.000 0.298 215 F C 2.437 178.132 175.800 -0.176 0.000 1.105 215 F CA 2.002 59.926 58.000 -0.127 0.000 1.215 215 F CB -0.145 38.799 39.000 -0.093 0.000 0.972 215 F HN 0.166 nan 8.300 nan 0.000 0.483 216 H N -0.372 118.837 119.070 0.232 0.000 2.551 216 H HA 0.113 4.672 4.556 0.005 0.000 0.266 216 H C 1.820 177.134 175.328 -0.024 0.000 0.977 216 H CA 1.043 57.135 56.048 0.073 0.000 1.163 216 H CB -0.029 29.615 29.762 -0.198 0.000 1.381 216 H HN 0.336 nan 8.280 nan 0.000 0.581 217 I N -0.437 120.153 120.570 0.035 0.000 2.852 217 I HA -0.087 4.086 4.170 0.005 0.000 0.264 217 I C 1.263 177.366 176.117 -0.024 0.000 1.179 217 I CA 0.563 61.847 61.300 -0.026 0.000 1.480 217 I CB 0.225 38.175 38.000 -0.083 0.000 1.111 217 I HN 0.200 nan 8.210 nan 0.000 0.441 218 L N -0.301 120.900 121.223 -0.036 0.000 2.428 218 L HA 0.156 4.499 4.340 0.005 0.000 0.190 218 L C 1.049 177.885 176.870 -0.058 0.000 1.255 218 L CA 0.068 54.866 54.840 -0.070 0.000 0.848 218 L CB -0.644 41.336 42.059 -0.133 0.000 1.088 218 L HN -0.176 nan 8.230 nan 0.000 0.500 219 V N 1.114 120.964 119.914 -0.107 0.000 3.098 219 V HA -0.139 3.984 4.120 0.005 0.000 0.298 219 V C 0.352 176.464 176.094 0.030 0.000 1.200 219 V CA 0.513 62.765 62.300 -0.079 0.000 1.321 219 V CB 0.073 31.831 31.823 -0.110 0.000 0.947 219 V HN 0.342 nan 8.190 nan 0.000 0.513 220 R N 4.801 125.328 120.500 0.045 0.000 2.803 220 R HA 0.569 4.912 4.340 0.005 0.000 0.276 220 R C -2.646 173.727 176.300 0.121 0.000 0.978 220 R CA -2.211 53.943 56.100 0.091 0.000 0.939 220 R CB 1.510 31.851 30.300 0.069 0.000 1.179 220 R HN 0.568 nan 8.270 nan 0.000 0.472 221 P HA 0.278 nan 4.420 nan 0.000 0.276 221 P C -2.521 174.883 177.300 0.173 0.000 1.235 221 P CA -1.208 62.004 63.100 0.187 0.000 0.772 221 P CB 0.261 32.095 31.700 0.223 0.000 0.871 222 P HA -0.021 nan 4.420 nan 0.000 0.264 222 P C 1.197 178.561 177.300 0.107 0.000 1.179 222 P CA 0.204 63.361 63.100 0.094 0.000 0.763 222 P CB 0.335 32.083 31.700 0.080 0.000 0.806 223 Q N 2.086 121.917 119.800 0.052 0.000 2.439 223 Q HA -0.157 4.186 4.340 0.005 0.000 0.211 223 Q C 1.690 177.719 176.000 0.049 0.000 0.978 223 Q CA 1.147 56.962 55.803 0.019 0.000 0.897 223 Q CB -0.044 28.675 28.738 -0.032 0.000 0.956 223 Q HN 0.240 nan 8.270 nan 0.000 0.483 224 R N -0.458 120.076 120.500 0.056 0.000 2.200 224 R HA 0.026 4.369 4.340 0.005 0.000 0.208 224 R C 1.666 178.010 176.300 0.073 0.000 1.033 224 R CA 0.639 56.770 56.100 0.052 0.000 1.000 224 R CB -0.055 30.269 30.300 0.040 0.000 0.906 224 R HN 0.160 nan 8.270 nan 0.000 0.462 225 L N -1.888 119.395 121.223 0.101 0.000 2.185 225 L HA 0.100 4.443 4.340 0.005 0.000 0.198 225 L C 1.904 178.865 176.870 0.152 0.000 1.079 225 L CA 1.028 55.931 54.840 0.106 0.000 0.780 225 L CB -0.906 41.214 42.059 0.102 0.000 0.955 225 L HN 0.105 nan 8.230 nan 0.000 0.462 226 Y N 0.532 120.850 120.300 0.030 0.000 2.425 226 Y HA -0.297 4.256 4.550 0.005 0.000 0.285 226 Y C 2.116 178.025 175.900 0.014 0.000 1.170 226 Y CA 0.990 59.106 58.100 0.026 0.000 1.304 226 Y CB 0.239 38.718 38.460 0.030 0.000 0.972 226 Y HN 0.082 nan 8.280 nan 0.000 0.558 227 K N -0.691 119.847 120.400 0.229 0.000 2.242 227 K HA 0.090 4.413 4.320 0.005 0.000 0.200 227 K C 2.086 178.738 176.600 0.087 0.000 1.050 227 K CA 0.831 57.197 56.287 0.132 0.000 0.981 227 K CB -0.070 32.466 32.500 0.061 0.000 0.795 227 K HN 0.336 nan 8.250 nan 0.000 0.477 228 A N 1.422 124.288 122.820 0.077 0.000 1.843 228 A HA 0.030 4.353 4.320 0.005 0.000 0.213 228 A C 1.820 179.428 177.584 0.040 0.000 1.202 228 A CA 0.697 52.762 52.037 0.047 0.000 0.607 228 A CB -0.569 18.458 19.000 0.044 0.000 0.847 228 A HN 0.155 nan 8.150 nan 0.000 0.445 229 L N 0.861 122.106 121.223 0.036 0.000 2.713 229 L HA 0.001 4.344 4.340 0.005 0.000 0.245 229 L C 0.299 177.155 176.870 -0.023 0.000 1.169 229 L CA -0.241 54.600 54.840 0.001 0.000 0.962 229 L CB -0.465 41.584 42.059 -0.017 0.000 1.161 229 L HN 0.390 nan 8.230 nan 0.000 0.427 230 R N -1.473 119.039 120.500 0.019 0.000 3.490 230 R HA -0.237 4.106 4.340 0.005 0.000 0.243 230 R C 0.296 176.564 176.300 -0.053 0.000 1.017 230 R CA 0.703 56.821 56.100 0.028 0.000 0.680 230 R CB -2.420 27.885 30.300 0.008 0.000 1.056 230 R HN 0.462 nan 8.270 nan 0.000 0.484 231 M N -0.284 119.190 119.600 -0.209 0.000 2.207 231 M HA 0.004 4.487 4.480 0.005 0.000 0.296 231 M C 1.832 177.887 176.300 -0.408 0.000 1.012 231 M CA 2.079 57.113 55.300 -0.443 0.000 1.088 231 M CB 0.110 32.225 32.600 -0.809 0.000 1.407 231 M HN 0.462 nan 8.290 nan 0.000 0.425 232 G N 0.604 109.235 108.800 -0.281 0.000 2.358 232 G HA2 -0.287 3.676 3.960 0.005 0.000 0.224 232 G HA3 -0.287 3.676 3.960 0.005 0.000 0.224 232 G C 0.222 175.109 174.900 -0.022 0.000 1.073 232 G CA 0.203 45.269 45.100 -0.056 0.000 0.635 232 G HN 0.828 nan 8.290 nan 0.000 0.509 233 N N 1.141 119.815 118.700 -0.043 0.000 2.602 233 N HA 0.338 5.081 4.740 0.005 0.000 0.238 233 N C 1.707 177.173 175.510 -0.073 0.000 1.084 233 N CA -0.067 52.957 53.050 -0.044 0.000 0.952 233 N CB 0.319 38.781 38.487 -0.042 0.000 1.244 233 N HN 0.321 nan 8.380 nan 0.000 0.512 234 I N 3.703 124.234 120.570 -0.065 0.000 2.227 234 I HA -0.335 3.838 4.170 0.005 0.000 0.250 234 I C 2.070 178.126 176.117 -0.101 0.000 1.087 234 I CA 1.731 62.987 61.300 -0.074 0.000 1.352 234 I CB -0.259 37.707 38.000 -0.056 0.000 1.043 234 I HN 0.646 nan 8.210 nan 0.000 0.425 235 E N -0.388 119.741 120.200 -0.118 0.000 2.253 235 E HA -0.304 4.049 4.350 0.005 0.000 0.202 235 E C 2.187 178.695 176.600 -0.153 0.000 1.014 235 E CA 2.002 58.303 56.400 -0.166 0.000 0.823 235 E CB -0.579 29.014 29.700 -0.178 0.000 0.736 235 E HN 0.604 nan 8.360 nan 0.000 0.478 236 T N -1.699 112.785 114.554 -0.118 0.000 2.985 236 T HA -0.004 4.349 4.350 0.005 0.000 0.266 236 T C 1.577 176.222 174.700 -0.091 0.000 1.076 236 T CA 0.984 63.025 62.100 -0.098 0.000 1.135 236 T CB -0.080 68.733 68.868 -0.092 0.000 0.890 236 T HN 0.086 nan 8.240 nan 0.000 0.480 237 V N 1.748 121.600 119.914 -0.103 0.000 2.759 237 V HA -0.012 4.111 4.120 0.005 0.000 0.256 237 V C 2.403 178.449 176.094 -0.080 0.000 1.080 237 V CA 1.020 63.257 62.300 -0.106 0.000 1.101 237 V CB -0.597 31.166 31.823 -0.100 0.000 0.698 237 V HN 0.403 nan 8.190 nan 0.000 0.477 238 L N 0.156 121.332 121.223 -0.079 0.000 2.109 238 L HA -0.018 4.325 4.340 0.005 0.000 0.207 238 L C 2.363 179.258 176.870 0.042 0.000 1.086 238 L CA 1.929 56.738 54.840 -0.052 0.000 0.760 238 L CB -0.531 41.427 42.059 -0.169 0.000 0.910 238 L HN 0.269 nan 8.230 nan 0.000 0.437 239 S N -1.431 114.298 115.700 0.048 0.000 2.446 239 S HA -0.013 4.460 4.470 0.005 0.000 0.225 239 S C 1.806 176.537 174.600 0.219 0.000 1.016 239 S CA 0.911 59.211 58.200 0.166 0.000 0.943 239 S CB -0.058 63.160 63.200 0.029 0.000 0.786 239 S HN 0.440 nan 8.310 nan 0.000 0.508 240 S N 0.899 116.637 115.700 0.064 0.000 2.555 240 S HA 0.100 4.573 4.470 0.005 0.000 0.230 240 S C 1.803 176.376 174.600 -0.044 0.000 0.978 240 S CA 0.569 58.767 58.200 -0.003 0.000 0.934 240 S CB -0.014 63.133 63.200 -0.088 0.000 0.766 240 S HN 0.477 nan 8.310 nan 0.000 0.533 241 S N 0.494 116.193 115.700 -0.002 0.000 2.891 241 S HA 0.282 4.755 4.470 0.005 0.000 0.247 241 S C 1.589 176.217 174.600 0.047 0.000 1.063 241 S CA -0.286 57.903 58.200 -0.018 0.000 0.857 241 S CB -0.275 62.910 63.200 -0.026 0.000 0.800 241 S HN 0.360 nan 8.310 nan 0.000 0.540 242 I N 2.621 123.286 120.570 0.159 0.000 2.229 242 I HA -0.297 3.876 4.170 0.005 0.000 0.250 242 I C 2.650 178.935 176.117 0.280 0.000 1.096 242 I CA 1.355 62.847 61.300 0.320 0.000 1.358 242 I CB -0.464 37.749 38.000 0.356 0.000 1.047 242 I HN 0.428 nan 8.210 nan 0.000 0.422 243 A N 0.683 123.534 122.820 0.052 0.000 1.851 243 A HA -0.252 4.071 4.320 0.005 0.000 0.216 243 A C 2.551 179.653 177.584 -0.803 0.000 1.195 243 A CA 2.301 54.047 52.037 -0.485 0.000 0.622 243 A CB -0.992 17.655 19.000 -0.588 0.000 0.831 243 A HN 0.463 nan 8.150 nan 0.000 0.444 244 A N -0.699 121.914 122.820 -0.345 0.000 1.877 244 A HA 0.022 4.346 4.320 0.005 0.000 0.216 244 A C 2.243 179.691 177.584 -0.226 0.000 1.186 244 A CA 1.862 53.756 52.037 -0.239 0.000 0.620 244 A CB -1.169 17.747 19.000 -0.140 0.000 0.822 244 A HN 0.481 nan 8.150 nan 0.000 0.443 245 V N 0.393 120.244 119.914 -0.105 0.000 2.231 245 V HA -0.367 3.756 4.120 0.005 0.000 0.250 245 V C 2.508 178.634 176.094 0.053 0.000 1.058 245 V CA 2.593 64.879 62.300 -0.023 0.000 1.022 245 V CB -1.543 30.328 31.823 0.079 0.000 0.640 245 V HN 0.792 nan 8.190 nan 0.000 0.445 246 F N 1.115 121.188 119.950 0.204 0.000 2.161 246 F HA -0.194 4.337 4.527 0.005 0.000 0.300 246 F C 2.137 178.198 175.800 0.435 0.000 1.089 246 F CA 1.595 59.766 58.000 0.285 0.000 1.282 246 F CB -1.409 37.889 39.000 0.496 0.000 1.010 246 F HN 0.207 nan 8.300 nan 0.000 0.485 247 F N 2.349 122.335 119.950 0.061 0.000 2.146 247 F HA 0.109 4.640 4.527 0.006 0.000 0.298 247 F C 2.252 178.182 175.800 0.217 0.000 1.096 247 F CA 1.041 59.176 58.000 0.225 0.000 1.275 247 F CB -1.323 37.587 39.000 -0.150 0.000 1.008 247 F HN 0.104 nan 8.300 nan 0.000 0.480 248 A N 1.083 123.764 122.820 -0.231 0.000 1.986 248 A HA -0.088 4.235 4.320 0.005 0.000 0.220 248 A C 2.492 180.076 177.584 -0.000 0.000 1.171 248 A CA 2.220 54.083 52.037 -0.289 0.000 0.640 248 A CB -1.594 17.275 19.000 -0.218 0.000 0.811 248 A HN 0.609 nan 8.150 nan 0.000 0.451 249 A N -0.661 122.229 122.820 0.117 0.000 1.823 249 A HA 0.012 4.335 4.320 0.005 0.000 0.214 249 A C 1.723 179.416 177.584 0.182 0.000 1.227 249 A CA 1.535 53.635 52.037 0.104 0.000 0.616 249 A CB -1.209 17.791 19.000 0.001 0.000 0.874 249 A HN 0.486 nan 8.150 nan 0.000 0.455 250 F N 0.077 120.211 119.950 0.306 0.000 2.192 250 F HA -0.267 4.263 4.527 0.006 0.000 0.300 250 F C 2.227 178.207 175.800 0.301 0.000 1.051 250 F CA 1.745 59.929 58.000 0.306 0.000 1.309 250 F CB -0.660 38.547 39.000 0.345 0.000 1.056 250 F HN 0.037 nan 8.300 nan 0.000 0.505 251 V N -1.742 118.439 119.914 0.445 0.000 2.446 251 V HA -0.160 3.963 4.120 0.005 0.000 0.244 251 V C 2.150 178.391 176.094 0.245 0.000 1.039 251 V CA 1.234 63.734 62.300 0.333 0.000 1.045 251 V CB -0.737 31.225 31.823 0.232 0.000 0.681 251 V HN 0.219 nan 8.190 nan 0.000 0.459 252 V N 0.568 120.603 119.914 0.200 0.000 2.626 252 V HA -0.162 3.961 4.120 0.005 0.000 0.252 252 V C 2.543 178.823 176.094 0.310 0.000 1.067 252 V CA 1.948 64.371 62.300 0.205 0.000 1.081 252 V CB -0.203 31.723 31.823 0.172 0.000 0.686 252 V HN 0.505 nan 8.190 nan 0.000 0.468 253 A N -0.416 122.587 122.820 0.306 0.000 1.968 253 A HA 0.105 4.428 4.320 0.005 0.000 0.217 253 A C 2.217 180.001 177.584 0.334 0.000 1.169 253 A CA 1.547 53.777 52.037 0.322 0.000 0.638 253 A CB -0.917 18.209 19.000 0.210 0.000 0.812 253 A HN 0.579 nan 8.150 nan 0.000 0.446 254 G N -0.164 108.856 108.800 0.368 0.000 2.499 254 G HA2 -0.108 3.855 3.960 0.005 0.000 0.213 254 G HA3 -0.108 3.855 3.960 0.005 0.000 0.213 254 G C 1.779 176.946 174.900 0.444 0.000 1.230 254 G CA 2.009 47.398 45.100 0.483 0.000 0.813 254 G HN 0.657 nan 8.290 nan 0.000 0.542 255 T N -0.580 114.149 114.554 0.292 0.000 2.714 255 T HA -0.325 4.028 4.350 0.005 0.000 0.268 255 T C 2.255 177.040 174.700 0.142 0.000 1.036 255 T CA 2.210 64.415 62.100 0.175 0.000 1.148 255 T CB -0.337 68.569 68.868 0.062 0.000 0.856 255 T HN 0.132 nan 8.240 nan 0.000 0.462 256 M N 0.336 120.028 119.600 0.154 0.000 2.074 256 M HA 0.131 4.615 4.480 0.005 0.000 0.259 256 M C 2.109 178.543 176.300 0.224 0.000 1.079 256 M CA 1.256 56.620 55.300 0.107 0.000 1.119 256 M CB -1.299 31.420 32.600 0.198 0.000 1.297 256 M HN 0.535 nan 8.290 nan 0.000 0.416 257 W N 0.152 121.474 121.300 0.037 0.000 2.309 257 W HA -0.244 4.419 4.660 0.005 0.000 0.326 257 W C 0.251 176.767 176.519 -0.004 0.000 1.222 257 W CA 1.217 58.514 57.345 -0.080 0.000 1.237 257 W CB -0.802 28.498 29.460 -0.267 0.000 1.180 257 W HN 0.123 nan 8.180 nan 0.000 0.456 258 Y N 0.477 121.035 120.300 0.429 0.000 2.394 258 Y HA 0.229 4.782 4.550 0.005 0.000 0.351 258 Y C 1.352 177.391 175.900 0.233 0.000 1.272 258 Y CA 0.256 58.560 58.100 0.341 0.000 1.508 258 Y CB -0.715 37.929 38.460 0.307 0.000 1.369 258 Y HN -0.051 nan 8.280 nan 0.000 0.639 259 G N -0.188 108.896 108.800 0.473 0.000 2.684 259 G HA2 0.396 4.359 3.960 0.005 0.000 0.255 259 G HA3 0.396 4.359 3.960 0.005 0.000 0.255 259 G C -0.684 174.491 174.900 0.459 0.000 1.219 259 G CA 0.087 45.471 45.100 0.475 0.000 0.901 259 G HN 0.624 nan 8.290 nan 0.000 0.548 260 S N -2.301 113.640 115.700 0.401 0.000 2.715 260 S HA 0.406 4.879 4.470 0.005 0.000 0.290 260 S C 0.511 175.199 174.600 0.145 0.000 1.008 260 S CA 0.452 58.755 58.200 0.171 0.000 0.850 260 S CB 0.482 63.693 63.200 0.018 0.000 1.059 260 S HN 1.664 nan 8.310 nan 0.000 0.455 261 A N 2.129 125.015 122.820 0.110 0.000 2.235 261 A HA 0.168 4.491 4.320 0.005 0.000 0.208 261 A C 1.925 179.513 177.584 0.006 0.000 1.172 261 A CA 1.676 53.756 52.037 0.071 0.000 0.786 261 A CB -0.875 18.159 19.000 0.056 0.000 0.804 261 A HN 1.321 nan 8.150 nan 0.000 0.479 262 T N -1.746 112.781 114.554 -0.045 0.000 3.081 262 T HA 0.060 4.413 4.350 0.005 0.000 0.255 262 T C 0.708 175.300 174.700 -0.180 0.000 1.113 262 T CA 1.377 63.432 62.100 -0.075 0.000 1.082 262 T CB -0.441 68.379 68.868 -0.080 0.000 0.939 262 T HN 0.593 nan 8.240 nan 0.000 0.506 263 T N 1.154 115.544 114.554 -0.273 0.000 3.103 263 T HA 0.524 4.877 4.350 0.005 0.000 0.352 263 T C -2.936 171.537 174.700 -0.379 0.000 1.048 263 T CA -1.628 60.067 62.100 -0.675 0.000 1.175 263 T CB 1.905 70.333 68.868 -0.733 0.000 1.029 263 T HN 0.022 nan 8.240 nan 0.000 0.498 264 P HA 0.191 nan 4.420 nan 0.000 0.281 264 P C 0.583 177.904 177.300 0.035 0.000 1.274 264 P CA -0.425 62.709 63.100 0.057 0.000 0.794 264 P CB 0.783 32.670 31.700 0.312 0.000 1.201 265 I N -1.298 119.353 120.570 0.136 0.000 2.731 265 I HA 0.003 4.176 4.170 0.005 0.000 0.260 265 I C 2.065 178.178 176.117 -0.006 0.000 1.138 265 I CA 1.325 62.682 61.300 0.096 0.000 1.461 265 I CB -1.418 36.721 38.000 0.231 0.000 1.128 265 I HN 0.295 nan 8.210 nan 0.000 0.438 266 E N 0.859 121.146 120.200 0.146 0.000 2.364 266 E HA 0.183 4.536 4.350 0.005 0.000 0.196 266 E C 1.934 178.571 176.600 0.062 0.000 0.990 266 E CA 0.273 56.759 56.400 0.144 0.000 0.886 266 E CB -0.015 29.922 29.700 0.396 0.000 0.866 266 E HN 0.366 nan 8.360 nan 0.000 0.493 267 L N 0.178 121.393 121.223 -0.015 0.000 2.509 267 L HA 0.179 4.522 4.340 0.005 0.000 0.222 267 L C -0.218 176.755 176.870 0.172 0.000 1.123 267 L CA 0.269 55.089 54.840 -0.034 0.000 0.856 267 L CB 0.304 42.259 42.059 -0.172 0.000 0.985 267 L HN 0.024 nan 8.230 nan 0.000 0.456 268 F N -1.024 118.767 119.950 -0.265 0.000 2.599 268 F HA 0.511 5.041 4.527 0.005 0.000 0.311 268 F C 0.909 176.389 175.800 -0.533 0.000 1.076 268 F CA -1.568 56.277 58.000 -0.258 0.000 0.937 268 F CB 0.741 39.615 39.000 -0.211 0.000 1.282 268 F HN -0.257 nan 8.300 nan 0.000 0.460 269 G N 2.163 110.792 108.800 -0.286 0.000 2.287 269 G HA2 0.266 4.229 3.960 0.005 0.000 0.235 269 G HA3 0.266 4.229 3.960 0.005 0.000 0.235 269 G C -2.702 171.828 174.900 -0.616 0.000 1.258 269 G CA -0.646 44.081 45.100 -0.623 0.000 0.884 269 G HN 0.282 nan 8.290 nan 0.000 0.518 270 P HA 0.050 nan 4.420 nan 0.000 0.266 270 P C 0.706 177.849 177.300 -0.263 0.000 1.193 270 P CA 0.131 62.975 63.100 -0.426 0.000 0.770 270 P CB 0.543 31.967 31.700 -0.460 0.000 0.836 271 T N 2.224 116.697 114.554 -0.136 0.000 2.928 271 T HA 0.012 4.365 4.350 0.005 0.000 0.305 271 T C 1.602 176.118 174.700 -0.308 0.000 1.035 271 T CA -0.164 61.784 62.100 -0.254 0.000 1.145 271 T CB 0.175 68.984 68.868 -0.098 0.000 0.963 271 T HN 0.430 nan 8.240 nan 0.000 0.545 272 R N 3.452 123.532 120.500 -0.700 0.000 2.170 272 R HA -0.151 4.192 4.340 0.005 0.000 0.242 272 R C 1.080 177.177 176.300 -0.338 0.000 1.145 272 R CA 2.001 57.729 56.100 -0.620 0.000 0.984 272 R CB -0.683 29.026 30.300 -0.985 0.000 0.869 272 R HN 0.719 nan 8.270 nan 0.000 0.455 273 Y N 0.811 121.066 120.300 -0.075 0.000 2.457 273 Y HA 0.086 4.639 4.550 0.005 0.000 0.292 273 Y C 2.190 178.158 175.900 0.113 0.000 1.125 273 Y CA 0.423 58.554 58.100 0.051 0.000 1.254 273 Y CB -0.356 38.134 38.460 0.050 0.000 1.012 273 Y HN 0.163 nan 8.280 nan 0.000 0.555 274 Q N -0.797 119.155 119.800 0.254 0.000 2.234 274 Q HA -0.221 4.123 4.340 0.005 0.000 0.206 274 Q C 1.921 178.141 176.000 0.365 0.000 0.980 274 Q CA 1.515 57.498 55.803 0.300 0.000 0.869 274 Q CB -0.302 28.678 28.738 0.403 0.000 0.912 274 Q HN 0.736 nan 8.270 nan 0.000 0.436 275 W N 0.684 122.097 121.300 0.188 0.000 2.872 275 W HA 0.017 4.680 4.660 0.005 0.000 0.266 275 W C 0.093 176.699 176.519 0.146 0.000 1.276 275 W CA 0.752 58.207 57.345 0.182 0.000 1.471 275 W CB 0.186 29.709 29.460 0.105 0.000 1.071 275 W HN 0.109 nan 8.180 nan 0.000 0.619 276 D N 1.545 122.022 120.400 0.128 0.000 2.087 276 D HA -0.164 4.479 4.640 0.005 0.000 0.192 276 D C 1.176 177.430 176.300 -0.077 0.000 0.993 276 D CA 2.363 56.401 54.000 0.063 0.000 0.828 276 D CB -0.187 40.776 40.800 0.271 0.000 0.968 276 D HN -0.028 nan 8.370 nan 0.000 0.448 277 S N -0.576 115.127 115.700 0.005 0.000 2.499 277 S HA 0.316 4.789 4.470 0.005 0.000 0.279 277 S C 0.305 174.891 174.600 -0.024 0.000 1.219 277 S CA -0.868 57.318 58.200 -0.022 0.000 1.062 277 S CB 1.842 65.041 63.200 -0.002 0.000 0.978 277 S HN -0.038 nan 8.310 nan 0.000 0.489 278 S N 3.564 119.226 115.700 -0.063 0.000 3.269 278 S HA -0.040 4.434 4.470 0.005 0.000 0.252 278 S C 0.802 175.471 174.600 0.115 0.000 1.087 278 S CA -0.283 57.907 58.200 -0.016 0.000 1.242 278 S CB -1.242 61.953 63.200 -0.008 0.000 1.044 278 S HN 0.719 nan 8.310 nan 0.000 0.482 279 Y N 2.213 122.466 120.300 -0.079 0.000 2.030 279 Y HA -0.294 4.259 4.550 0.005 0.000 0.272 279 Y C 1.314 177.107 175.900 -0.178 0.000 1.185 279 Y CA 1.271 59.252 58.100 -0.198 0.000 1.120 279 Y CB -0.943 37.285 38.460 -0.388 0.000 0.955 279 Y HN 0.433 nan 8.280 nan 0.000 0.495 280 F N 0.779 120.759 119.950 0.049 0.000 2.293 280 F HA -0.193 4.337 4.527 0.005 0.000 0.300 280 F C 2.692 178.539 175.800 0.079 0.000 1.086 280 F CA 1.700 59.681 58.000 -0.031 0.000 1.375 280 F CB -0.774 38.278 39.000 0.086 0.000 1.045 280 F HN 0.352 nan 8.300 nan 0.000 0.516 281 Q N 0.494 120.463 119.800 0.281 0.000 2.212 281 Q HA -0.176 4.167 4.340 0.005 0.000 0.199 281 Q C 2.101 178.192 176.000 0.151 0.000 0.950 281 Q CA 1.090 57.036 55.803 0.239 0.000 0.863 281 Q CB -0.733 28.161 28.738 0.259 0.000 0.944 281 Q HN 0.595 nan 8.270 nan 0.000 0.465 282 Q N 1.109 120.990 119.800 0.134 0.000 2.123 282 Q HA -0.190 4.153 4.340 0.005 0.000 0.199 282 Q C 1.784 177.829 176.000 0.077 0.000 0.966 282 Q CA 1.466 57.327 55.803 0.097 0.000 0.845 282 Q CB -0.120 28.673 28.738 0.092 0.000 0.907 282 Q HN 0.557 nan 8.270 nan 0.000 0.439 283 E N -0.059 120.204 120.200 0.105 0.000 2.511 283 E HA -0.036 4.317 4.350 0.005 0.000 0.196 283 E C 1.553 178.173 176.600 0.034 0.000 1.066 283 E CA 0.139 56.589 56.400 0.083 0.000 0.871 283 E CB 0.193 29.960 29.700 0.111 0.000 0.863 283 E HN 0.526 nan 8.360 nan 0.000 0.520 284 I N 0.162 120.750 120.570 0.030 0.000 2.681 284 I HA -0.144 4.029 4.170 0.005 0.000 0.247 284 I C 2.145 178.189 176.117 -0.122 0.000 1.091 284 I CA 0.017 61.302 61.300 -0.025 0.000 1.442 284 I CB -0.203 37.815 38.000 0.030 0.000 1.219 284 I HN 0.036 nan 8.210 nan 0.000 0.451 285 N N 1.388 120.030 118.700 -0.098 0.000 2.132 285 N HA -0.265 4.478 4.740 0.005 0.000 0.191 285 N C 1.913 177.339 175.510 -0.141 0.000 1.015 285 N CA 1.410 54.367 53.050 -0.155 0.000 0.864 285 N CB -0.341 38.121 38.487 -0.042 0.000 1.006 285 N HN 0.315 nan 8.380 nan 0.000 0.430 286 R N 1.254 121.706 120.500 -0.080 0.000 2.083 286 R HA -0.087 4.256 4.340 0.005 0.000 0.237 286 R C 2.232 178.470 176.300 -0.103 0.000 1.137 286 R CA 1.363 57.421 56.100 -0.070 0.000 0.951 286 R CB -0.193 30.084 30.300 -0.039 0.000 0.851 286 R HN 0.134 nan 8.270 nan 0.000 0.434 287 R N -0.040 120.389 120.500 -0.119 0.000 2.115 287 R HA -0.045 4.298 4.340 0.005 0.000 0.226 287 R C 2.035 178.220 176.300 -0.192 0.000 1.100 287 R CA 1.086 57.107 56.100 -0.131 0.000 0.980 287 R CB -0.017 30.219 30.300 -0.107 0.000 0.875 287 R HN 0.227 nan 8.270 nan 0.000 0.445 288 V N 0.398 120.131 119.914 -0.303 0.000 3.461 288 V HA -0.055 4.068 4.120 0.005 0.000 0.267 288 V C 1.511 177.405 176.094 -0.334 0.000 1.186 288 V CA 1.102 63.130 62.300 -0.453 0.000 1.154 288 V CB 0.395 31.657 31.823 -0.936 0.000 0.802 288 V HN 0.303 nan 8.190 nan 0.000 0.474 289 Q N -0.309 119.356 119.800 -0.225 0.000 2.226 289 Q HA 0.204 4.547 4.340 0.005 0.000 0.199 289 Q C 2.299 178.238 176.000 -0.102 0.000 0.945 289 Q CA 1.433 57.151 55.803 -0.142 0.000 0.861 289 Q CB -0.235 28.444 28.738 -0.099 0.000 0.953 289 Q HN 0.644 nan 8.270 nan 0.000 0.490 290 A N 0.719 123.480 122.820 -0.099 0.000 1.845 290 A HA -0.166 4.157 4.320 0.005 0.000 0.215 290 A C 2.372 179.913 177.584 -0.072 0.000 1.195 290 A CA 2.088 54.081 52.037 -0.074 0.000 0.616 290 A CB -0.798 18.159 19.000 -0.072 0.000 0.832 290 A HN 0.353 nan 8.150 nan 0.000 0.443 291 S N -0.387 115.259 115.700 -0.090 0.000 2.420 291 S HA -0.154 4.320 4.470 0.005 0.000 0.237 291 S C 1.814 176.376 174.600 -0.063 0.000 1.023 291 S CA 1.437 59.591 58.200 -0.075 0.000 0.991 291 S CB -0.449 62.695 63.200 -0.094 0.000 0.792 291 S HN 0.493 nan 8.310 nan 0.000 0.488 292 L N 0.857 122.030 121.223 -0.083 0.000 2.034 292 L HA 0.078 4.421 4.340 0.005 0.000 0.203 292 L C 2.147 178.999 176.870 -0.031 0.000 1.074 292 L CA 1.141 55.947 54.840 -0.057 0.000 0.748 292 L CB -0.497 41.515 42.059 -0.079 0.000 0.905 292 L HN 0.348 nan 8.230 nan 0.000 0.439 293 A N -1.607 121.192 122.820 -0.035 0.000 2.265 293 A HA -0.042 4.281 4.320 0.005 0.000 0.213 293 A C 1.715 179.288 177.584 -0.020 0.000 1.255 293 A CA 0.931 52.955 52.037 -0.021 0.000 0.862 293 A CB -0.387 18.600 19.000 -0.022 0.000 0.852 293 A HN 0.380 nan 8.150 nan 0.000 0.484 294 S N -0.497 115.190 115.700 -0.022 0.000 2.663 294 S HA 0.416 4.889 4.470 0.005 0.000 0.243 294 S C 0.848 175.442 174.600 -0.009 0.000 1.009 294 S CA 0.692 58.881 58.200 -0.018 0.000 0.988 294 S CB -0.622 62.562 63.200 -0.026 0.000 0.896 294 S HN 1.793 nan 8.310 nan 0.000 0.502 295 G N 1.221 110.019 108.800 -0.004 0.000 2.401 295 G HA2 0.110 4.074 3.960 0.005 0.000 0.283 295 G HA3 0.110 4.074 3.960 0.005 0.000 0.283 295 G C -0.139 174.767 174.900 0.010 0.000 1.117 295 G CA 0.024 45.126 45.100 0.005 0.000 1.051 295 G HN 1.153 nan 8.290 nan 0.000 0.510 296 A N -0.000 122.828 122.820 0.014 0.000 2.515 296 A HA 0.943 5.266 4.320 0.005 0.000 0.298 296 A C 0.338 177.951 177.584 0.048 0.000 1.059 296 A CA 0.203 52.256 52.037 0.026 0.000 0.698 296 A CB 1.090 20.100 19.000 0.015 0.000 1.289 296 A HN 1.236 nan 8.150 nan 0.000 0.404 297 T N 2.100 116.696 114.554 0.070 0.000 2.940 297 T HA 0.176 4.529 4.350 0.005 0.000 0.309 297 T C 1.467 176.259 174.700 0.154 0.000 1.056 297 T CA -0.057 62.106 62.100 0.107 0.000 1.137 297 T CB 0.421 69.356 68.868 0.113 0.000 0.976 297 T HN 0.872 nan 8.240 nan 0.000 0.547 298 L N 2.219 123.561 121.223 0.197 0.000 2.189 298 L HA -0.131 4.212 4.340 0.005 0.000 0.214 298 L C 2.131 179.280 176.870 0.465 0.000 1.097 298 L CA 1.687 56.685 54.840 0.263 0.000 0.764 298 L CB -0.894 41.291 42.059 0.211 0.000 0.900 298 L HN 0.718 nan 8.230 nan 0.000 0.436 299 E N -0.417 120.038 120.200 0.424 0.000 2.015 299 E HA -0.225 4.128 4.350 0.005 0.000 0.191 299 E C 1.935 178.708 176.600 0.287 0.000 0.991 299 E CA 1.507 58.135 56.400 0.380 0.000 0.802 299 E CB -0.285 29.531 29.700 0.193 0.000 0.759 299 E HN 0.640 nan 8.360 nan 0.000 0.447 300 E N 0.978 121.289 120.200 0.185 0.000 2.209 300 E HA -0.193 4.161 4.350 0.005 0.000 0.196 300 E C 2.022 178.698 176.600 0.127 0.000 0.993 300 E CA 0.687 57.166 56.400 0.131 0.000 0.819 300 E CB -0.150 29.599 29.700 0.082 0.000 0.745 300 E HN 0.223 nan 8.360 nan 0.000 0.477 301 A N 1.037 123.939 122.820 0.136 0.000 1.841 301 A HA -0.189 4.135 4.320 0.005 0.000 0.216 301 A C 1.733 179.306 177.584 -0.019 0.000 1.199 301 A CA 1.453 53.495 52.037 0.007 0.000 0.621 301 A CB -1.022 17.946 19.000 -0.053 0.000 0.835 301 A HN 0.353 nan 8.150 nan 0.000 0.445 302 W N -0.071 121.312 121.300 0.140 0.000 2.476 302 W HA 0.072 4.736 4.660 0.005 0.000 0.281 302 W C 2.531 179.181 176.519 0.219 0.000 1.230 302 W CA 0.944 58.407 57.345 0.197 0.000 1.287 302 W CB -0.438 29.229 29.460 0.345 0.000 1.108 302 W HN 0.207 nan 8.180 nan 0.000 0.567 303 S N 0.327 116.284 115.700 0.429 0.000 2.537 303 S HA -0.068 4.405 4.470 0.005 0.000 0.240 303 S C 1.856 176.567 174.600 0.186 0.000 0.981 303 S CA 1.003 59.384 58.200 0.301 0.000 0.948 303 S CB -0.439 62.892 63.200 0.218 0.000 0.759 303 S HN 0.283 nan 8.310 nan 0.000 0.531 304 A N 1.405 124.310 122.820 0.142 0.000 1.903 304 A HA 0.232 4.556 4.320 0.005 0.000 0.213 304 A C 0.885 178.489 177.584 0.034 0.000 1.185 304 A CA 0.198 52.270 52.037 0.060 0.000 0.628 304 A CB -0.352 18.652 19.000 0.006 0.000 0.830 304 A HN 0.449 nan 8.150 nan 0.000 0.446 305 I N 2.395 122.974 120.570 0.015 0.000 2.775 305 I HA 0.051 4.224 4.170 0.005 0.000 0.290 305 I C -1.934 174.151 176.117 -0.053 0.000 1.203 305 I CA -1.145 60.130 61.300 -0.042 0.000 1.433 305 I CB 0.282 38.233 38.000 -0.081 0.000 1.354 305 I HN 0.246 nan 8.210 nan 0.000 0.579 306 P HA 0.122 nan 4.420 nan 0.000 0.280 306 P C 0.272 177.524 177.300 -0.080 0.000 1.244 306 P CA -0.311 62.770 63.100 -0.032 0.000 0.784 306 P CB 1.308 33.008 31.700 0.001 0.000 0.913 307 E N 2.821 123.004 120.200 -0.029 0.000 2.041 307 E HA -0.279 4.074 4.350 0.005 0.000 0.227 307 E C 1.688 178.353 176.600 0.107 0.000 1.039 307 E CA 1.827 58.236 56.400 0.016 0.000 0.904 307 E CB -0.619 29.142 29.700 0.102 0.000 0.808 307 E HN 0.543 nan 8.360 nan 0.000 0.510 308 K N 0.338 120.838 120.400 0.167 0.000 2.127 308 K HA -0.251 4.072 4.320 0.005 0.000 0.212 308 K C 2.266 179.010 176.600 0.240 0.000 1.050 308 K CA 1.774 58.219 56.287 0.264 0.000 0.929 308 K CB -0.332 32.264 32.500 0.159 0.000 0.715 308 K HN 0.048 nan 8.250 nan 0.000 0.457 309 L N 0.265 121.488 121.223 0.001 0.000 2.056 309 L HA -0.048 4.296 4.340 0.005 0.000 0.207 309 L C 2.108 179.015 176.870 0.062 0.000 1.078 309 L CA 2.071 56.857 54.840 -0.090 0.000 0.749 309 L CB -0.862 41.142 42.059 -0.092 0.000 0.901 309 L HN 0.228 nan 8.230 nan 0.000 0.433 310 A N -0.531 122.291 122.820 0.003 0.000 1.851 310 A HA -0.307 4.016 4.320 0.005 0.000 0.216 310 A C 2.415 180.253 177.584 0.422 0.000 1.195 310 A CA 2.073 54.116 52.037 0.010 0.000 0.622 310 A CB -1.490 17.083 19.000 -0.712 0.000 0.831 310 A HN 0.564 nan 8.150 nan 0.000 0.444 311 F N -0.947 119.271 119.950 0.447 0.000 2.082 311 F HA -0.383 4.147 4.527 0.005 0.000 0.298 311 F C 2.257 178.192 175.800 0.225 0.000 1.091 311 F CA 2.028 60.291 58.000 0.437 0.000 1.230 311 F CB -0.258 38.971 39.000 0.383 0.000 0.983 311 F HN 0.411 nan 8.300 nan 0.000 0.485 312 Y N -0.789 119.547 120.300 0.060 0.000 2.256 312 Y HA -0.281 4.272 4.550 0.005 0.000 0.288 312 Y C 1.452 177.227 175.900 -0.209 0.000 1.155 312 Y CA 1.105 58.912 58.100 -0.489 0.000 1.203 312 Y CB -0.376 37.070 38.460 -1.691 0.000 0.980 312 Y HN -0.023 nan 8.280 nan 0.000 0.530 313 D N -0.511 120.061 120.400 0.287 0.000 2.856 313 D HA -0.050 4.593 4.640 0.005 0.000 0.242 313 D C -1.270 175.431 176.300 0.669 0.000 1.226 313 D CA 0.035 54.365 54.000 0.550 0.000 0.855 313 D CB -0.810 40.323 40.800 0.555 0.000 1.065 313 D HN 0.185 nan 8.370 nan 0.000 0.462 314 Y N 0.424 120.952 120.300 0.379 0.000 2.338 314 Y HA 0.257 4.810 4.550 0.005 0.000 0.328 314 Y C 0.746 176.640 175.900 -0.010 0.000 0.965 314 Y CA -1.239 57.018 58.100 0.262 0.000 1.208 314 Y CB 0.530 39.074 38.460 0.141 0.000 1.132 314 Y HN 0.021 nan 8.280 nan 0.000 0.469 315 I N 4.005 124.143 120.570 -0.720 0.000 2.367 315 I HA -0.242 3.931 4.170 0.005 0.000 0.256 315 I C 1.929 177.346 176.117 -1.168 0.000 1.132 315 I CA 2.245 62.705 61.300 -1.400 0.000 1.397 315 I CB -0.123 36.898 38.000 -1.632 0.000 1.074 315 I HN 0.989 nan 8.210 nan 0.000 0.435 316 G N 0.321 108.163 108.800 -1.598 0.000 2.615 316 G HA2 -0.213 3.750 3.960 0.005 0.000 0.213 316 G HA3 -0.213 3.750 3.960 0.005 0.000 0.213 316 G C 1.114 175.862 174.900 -0.253 0.000 1.135 316 G CA 0.611 45.090 45.100 -1.035 0.000 0.772 316 G HN 0.481 nan 8.290 nan 0.000 0.542 317 N N -0.127 118.451 118.700 -0.203 0.000 2.166 317 N HA -0.018 4.725 4.740 0.005 0.000 0.213 317 N C 0.209 175.607 175.510 -0.186 0.000 1.222 317 N CA -0.262 52.790 53.050 0.004 0.000 0.900 317 N CB 0.137 38.718 38.487 0.158 0.000 1.055 317 N HN 0.194 nan 8.380 nan 0.000 0.515 318 N N 3.710 122.207 118.700 -0.339 0.000 2.400 318 N HA 0.025 4.768 4.740 0.005 0.000 0.278 318 N C -1.748 173.559 175.510 -0.338 0.000 1.247 318 N CA -1.087 51.753 53.050 -0.351 0.000 0.970 318 N CB 1.084 39.239 38.487 -0.552 0.000 1.312 318 N HN -0.052 nan 8.380 nan 0.000 0.488 319 P HA -0.277 nan 4.420 nan 0.000 0.224 319 P C 0.866 178.086 177.300 -0.134 0.000 1.154 319 P CA 2.059 65.031 63.100 -0.213 0.000 0.868 319 P CB 0.186 31.696 31.700 -0.316 0.000 0.782 320 A N -0.288 122.438 122.820 -0.156 0.000 1.858 320 A HA -0.233 4.090 4.320 0.005 0.000 0.216 320 A C 2.073 179.535 177.584 -0.203 0.000 1.190 320 A CA 1.744 53.721 52.037 -0.101 0.000 0.617 320 A CB -1.068 17.855 19.000 -0.129 0.000 0.827 320 A HN 0.070 nan 8.150 nan 0.000 0.443 321 K N 0.006 120.227 120.400 -0.298 0.000 2.259 321 K HA -0.197 4.126 4.320 0.005 0.000 0.206 321 K C 1.497 177.987 176.600 -0.184 0.000 1.044 321 K CA 0.864 56.950 56.287 -0.336 0.000 0.931 321 K CB -1.110 30.964 32.500 -0.709 0.000 0.726 321 K HN 0.534 nan 8.250 nan 0.000 0.467 322 G N 0.337 109.031 108.800 -0.176 0.000 2.134 322 G HA2 0.139 4.102 3.960 0.005 0.000 0.524 322 G HA3 0.139 4.102 3.960 0.005 0.000 0.524 322 G C 0.169 174.997 174.900 -0.120 0.000 1.387 322 G CA 0.274 45.290 45.100 -0.139 0.000 1.102 322 G HN 0.425 nan 8.290 nan 0.000 0.569 323 G N -2.855 105.845 108.800 -0.166 0.000 2.752 323 G HA2 0.482 4.445 3.960 0.005 0.000 0.298 323 G HA3 0.482 4.445 3.960 0.005 0.000 0.298 323 G C 0.240 175.059 174.900 -0.136 0.000 1.434 323 G CA 0.008 45.044 45.100 -0.107 0.000 1.004 323 G HN 0.886 nan 8.290 nan 0.000 0.560 324 L N 1.436 122.579 121.223 -0.133 0.000 2.129 324 L HA 0.136 4.479 4.340 0.005 0.000 0.212 324 L C 1.477 178.341 176.870 -0.010 0.000 1.087 324 L CA 2.097 56.846 54.840 -0.153 0.000 0.757 324 L CB -0.378 41.632 42.059 -0.083 0.000 0.896 324 L HN 0.517 nan 8.230 nan 0.000 0.434 325 F N -0.795 119.180 119.950 0.042 0.000 2.682 325 F HA 0.303 4.833 4.527 0.005 0.000 0.308 325 F C 1.058 176.920 175.800 0.104 0.000 1.093 325 F CA -0.394 57.659 58.000 0.087 0.000 1.244 325 F CB -0.005 39.016 39.000 0.035 0.000 1.052 325 F HN -0.184 nan 8.300 nan 0.000 0.573 326 R N 1.229 121.863 120.500 0.224 0.000 4.045 326 R HA -0.014 4.329 4.340 0.005 0.000 0.174 326 R C 1.617 178.050 176.300 0.220 0.000 1.805 326 R CA 0.776 56.980 56.100 0.172 0.000 1.368 326 R CB -1.083 29.279 30.300 0.104 0.000 1.362 326 R HN 0.351 nan 8.270 nan 0.000 0.777 327 T N -2.283 112.373 114.554 0.169 0.000 3.083 327 T HA -0.267 4.086 4.350 0.005 0.000 0.250 327 T C 0.998 175.734 174.700 0.061 0.000 1.037 327 T CA 1.421 63.574 62.100 0.089 0.000 1.182 327 T CB -0.073 68.828 68.868 0.056 0.000 0.782 327 T HN 0.575 nan 8.240 nan 0.000 0.533 328 G N 0.805 109.678 108.800 0.122 0.000 2.975 328 G HA2 0.636 4.600 3.960 0.005 0.000 0.291 328 G HA3 0.636 4.600 3.960 0.005 0.000 0.291 328 G C -3.179 171.813 174.900 0.154 0.000 1.334 328 G CA -1.378 43.776 45.100 0.090 0.000 0.843 328 G HN 0.190 nan 8.290 nan 0.000 0.548 329 P HA 0.069 nan 4.420 nan 0.000 0.267 329 P C 1.155 178.512 177.300 0.096 0.000 1.205 329 P CA 0.118 63.286 63.100 0.113 0.000 0.765 329 P CB 0.898 32.636 31.700 0.063 0.000 0.828 330 M N 1.700 121.371 119.600 0.118 0.000 2.399 330 M HA -0.293 4.190 4.480 0.005 0.000 0.250 330 M C 1.333 177.663 176.300 0.050 0.000 1.113 330 M CA 1.673 57.030 55.300 0.096 0.000 1.023 330 M CB -0.822 31.850 32.600 0.120 0.000 1.376 330 M HN 0.380 nan 8.290 nan 0.000 0.419 331 N N 0.327 119.044 118.700 0.028 0.000 2.216 331 N HA -0.061 4.682 4.740 0.005 0.000 0.183 331 N C 1.068 176.570 175.510 -0.014 0.000 1.017 331 N CA 1.002 54.057 53.050 0.009 0.000 0.861 331 N CB -0.128 38.356 38.487 -0.004 0.000 0.986 331 N HN 0.330 nan 8.380 nan 0.000 0.428 332 K N 0.763 121.157 120.400 -0.010 0.000 3.165 332 K HA 0.118 4.441 4.320 0.005 0.000 0.270 332 K C 0.551 177.119 176.600 -0.053 0.000 1.111 332 K CA -0.283 55.988 56.287 -0.028 0.000 1.216 332 K CB -0.325 32.168 32.500 -0.012 0.000 1.229 332 K HN 0.156 nan 8.250 nan 0.000 0.435 333 G N 0.395 109.145 108.800 -0.084 0.000 2.543 333 G HA2 -0.072 3.891 3.960 0.005 0.000 0.202 333 G HA3 -0.072 3.891 3.960 0.005 0.000 0.202 333 G C 0.344 175.074 174.900 -0.282 0.000 1.897 333 G CA -0.145 44.864 45.100 -0.151 0.000 0.726 333 G HN 0.357 nan 8.290 nan 0.000 0.804 334 D N 0.386 120.571 120.400 -0.358 0.000 2.347 334 D HA 0.359 5.002 4.640 0.005 0.000 0.215 334 D C 1.420 177.367 176.300 -0.588 0.000 0.976 334 D CA 1.006 54.599 54.000 -0.678 0.000 0.884 334 D CB 0.144 40.373 40.800 -0.951 0.000 0.915 334 D HN 0.976 nan 8.370 nan 0.000 0.526 335 G N -0.067 108.598 108.800 -0.225 0.000 2.447 335 G HA2 -0.144 3.819 3.960 0.005 0.000 0.220 335 G HA3 -0.144 3.819 3.960 0.005 0.000 0.220 335 G C -1.122 173.861 174.900 0.138 0.000 1.261 335 G CA -0.591 44.499 45.100 -0.016 0.000 1.000 335 G HN 0.182 nan 8.290 nan 0.000 0.515 336 I N 2.067 122.733 120.570 0.160 0.000 2.312 336 I HA 0.494 4.667 4.170 0.005 0.000 0.291 336 I C 1.219 177.437 176.117 0.169 0.000 1.031 336 I CA -0.196 61.183 61.300 0.132 0.000 1.293 336 I CB 1.280 39.300 38.000 0.034 0.000 1.403 336 I HN 0.921 nan 8.210 nan 0.000 0.484 337 A N 6.949 129.863 122.820 0.157 0.000 2.515 337 A HA 0.089 4.412 4.320 0.005 0.000 0.263 337 A C 0.871 178.404 177.584 -0.085 0.000 1.096 337 A CA -0.010 51.937 52.037 -0.152 0.000 0.769 337 A CB 0.269 19.165 19.000 -0.174 0.000 1.040 337 A HN 0.761 nan 8.150 nan 0.000 0.505 338 Q N 0.781 120.485 119.800 -0.160 0.000 2.349 338 Q HA 0.394 4.737 4.340 0.005 0.000 0.209 338 Q C 0.501 176.462 176.000 -0.066 0.000 0.920 338 Q CA 1.357 57.111 55.803 -0.081 0.000 0.901 338 Q CB 0.487 29.176 28.738 -0.082 0.000 1.021 338 Q HN 1.118 nan 8.270 nan 0.000 0.519 339 A N -0.728 122.021 122.820 -0.119 0.000 2.522 339 A HA 0.361 4.684 4.320 0.005 0.000 0.291 339 A C -2.256 175.107 177.584 -0.368 0.000 1.039 339 A CA -0.811 51.151 52.037 -0.125 0.000 0.643 339 A CB -0.199 18.743 19.000 -0.096 0.000 1.310 339 A HN 0.152 nan 8.150 nan 0.000 0.436 340 W N 2.001 122.904 121.300 -0.662 0.000 2.316 340 W HA 0.574 5.237 4.660 0.005 0.000 0.311 340 W C 0.828 177.042 176.519 -0.508 0.000 1.217 340 W CA -0.187 56.562 57.345 -0.993 0.000 1.199 340 W CB 1.290 30.315 29.460 -0.725 0.000 1.202 340 W HN 0.789 nan 8.180 nan 0.000 0.528 341 K N 3.612 123.446 120.400 -0.944 0.000 2.076 341 K HA 0.279 4.602 4.320 0.005 0.000 0.204 341 K C 0.703 176.661 176.600 -1.070 0.000 1.051 341 K CA 1.171 56.975 56.287 -0.804 0.000 0.949 341 K CB -0.127 32.013 32.500 -0.601 0.000 0.726 341 K HN 0.644 nan 8.250 nan 0.000 0.443 342 G N -0.092 107.646 108.800 -1.770 0.000 2.337 342 G HA2 -0.087 3.876 3.960 0.005 0.000 0.310 342 G HA3 -0.087 3.876 3.960 0.005 0.000 0.310 342 G C -1.814 172.557 174.900 -0.882 0.000 1.534 342 G CA -0.895 43.207 45.100 -1.663 0.000 0.982 342 G HN 0.266 nan 8.290 nan 0.000 0.672 343 H N 0.539 119.351 119.070 -0.430 0.000 2.803 343 H HA 0.536 5.095 4.556 0.005 0.000 0.330 343 H C 0.338 175.433 175.328 -0.389 0.000 1.057 343 H CA 0.591 56.515 56.048 -0.207 0.000 1.458 343 H CB 1.337 30.594 29.762 -0.842 0.000 1.470 343 H HN 0.885 nan 8.280 nan 0.000 0.560 344 A N 6.591 128.953 122.820 -0.763 0.000 2.341 344 A HA 0.341 4.664 4.320 0.005 0.000 0.326 344 A C -0.246 176.954 177.584 -0.640 0.000 1.402 344 A CA -0.707 50.765 52.037 -0.942 0.000 0.957 344 A CB -0.359 18.249 19.000 -0.652 0.000 1.151 344 A HN 0.516 nan 8.150 nan 0.000 0.533 345 V N 0.495 120.069 119.914 -0.567 0.000 2.383 345 V HA 0.617 4.740 4.120 0.005 0.000 0.275 345 V C -0.563 175.412 176.094 -0.199 0.000 1.036 345 V CA -0.629 61.525 62.300 -0.244 0.000 0.889 345 V CB -0.026 31.665 31.823 -0.220 0.000 0.985 345 V HN 0.530 nan 8.190 nan 0.000 0.459 346 F N 4.004 123.840 119.950 -0.190 0.000 2.411 346 F HA 0.600 5.130 4.527 0.005 0.000 0.355 346 F C 1.045 176.803 175.800 -0.070 0.000 1.117 346 F CA -0.534 57.393 58.000 -0.122 0.000 1.139 346 F CB 1.052 39.999 39.000 -0.088 0.000 1.120 346 F HN 0.445 nan 8.300 nan 0.000 0.493 347 R N 2.072 122.592 120.500 0.032 0.000 2.486 347 R HA 0.218 4.562 4.340 0.005 0.000 0.286 347 R C 0.152 176.460 176.300 0.014 0.000 0.999 347 R CA -0.936 55.181 56.100 0.028 0.000 0.993 347 R CB 0.951 31.252 30.300 0.002 0.000 1.084 347 R HN 0.589 nan 8.270 nan 0.000 0.487 348 N N 1.246 119.956 118.700 0.017 0.000 2.322 348 N HA -0.011 4.732 4.740 0.005 0.000 0.270 348 N C 0.524 176.031 175.510 -0.004 0.000 1.286 348 N CA 0.149 53.196 53.050 -0.004 0.000 0.948 348 N CB 0.881 39.371 38.487 0.006 0.000 1.164 348 N HN 0.445 nan 8.380 nan 0.000 0.551 349 K N 0.166 120.561 120.400 -0.007 0.000 2.262 349 K HA -0.009 4.314 4.320 0.005 0.000 0.200 349 K C 0.926 177.528 176.600 0.003 0.000 1.049 349 K CA 0.740 57.028 56.287 0.001 0.000 0.979 349 K CB 0.156 32.657 32.500 0.003 0.000 0.773 349 K HN 0.377 nan 8.250 nan 0.000 0.474 350 E N -0.735 119.465 120.200 0.001 0.000 2.347 350 E HA -0.022 4.331 4.350 0.005 0.000 0.196 350 E C 0.963 177.569 176.600 0.010 0.000 1.008 350 E CA 1.029 57.431 56.400 0.004 0.000 0.852 350 E CB 0.372 30.072 29.700 0.001 0.000 0.783 350 E HN 0.546 nan 8.360 nan 0.000 0.505 351 G N 0.082 108.891 108.800 0.014 0.000 2.253 351 G HA2 -0.236 3.727 3.960 0.005 0.000 0.209 351 G HA3 -0.236 3.727 3.960 0.005 0.000 0.209 351 G C -0.199 174.721 174.900 0.033 0.000 0.997 351 G CA -0.085 45.028 45.100 0.022 0.000 0.640 351 G HN 0.308 nan 8.290 nan 0.000 0.496 352 E N 1.167 121.388 120.200 0.034 0.000 2.437 352 E HA 0.315 4.668 4.350 0.005 0.000 0.263 352 E C 0.152 176.798 176.600 0.077 0.000 1.030 352 E CA 0.111 56.541 56.400 0.051 0.000 0.934 352 E CB 1.035 30.759 29.700 0.040 0.000 0.943 352 E HN 0.489 nan 8.360 nan 0.000 0.444 353 E N 2.208 122.478 120.200 0.116 0.000 2.313 353 E HA 0.311 4.664 4.350 0.005 0.000 0.272 353 E C -0.907 175.850 176.600 0.261 0.000 1.038 353 E CA -0.351 56.154 56.400 0.175 0.000 0.863 353 E CB 0.700 30.529 29.700 0.215 0.000 1.060 353 E HN 0.297 nan 8.360 nan 0.000 0.402 354 L N 2.817 124.228 121.223 0.313 0.000 2.303 354 L HA 0.568 4.911 4.340 0.005 0.000 0.256 354 L C -0.898 176.354 176.870 0.637 0.000 1.034 354 L CA -0.752 54.320 54.840 0.388 0.000 0.832 354 L CB 1.605 43.770 42.059 0.177 0.000 1.403 354 L HN 0.530 nan 8.230 nan 0.000 0.419 355 F N -0.346 119.611 119.950 0.012 0.000 2.563 355 F HA 0.512 5.042 4.527 0.005 0.000 0.316 355 F C -0.311 175.438 175.800 -0.084 0.000 1.076 355 F CA -1.400 56.600 58.000 0.001 0.000 0.921 355 F CB 2.189 41.217 39.000 0.046 0.000 1.209 355 F HN -0.067 nan 8.300 nan 0.000 0.462 356 V N 3.162 123.089 119.914 0.021 0.000 2.405 356 V HA 0.163 4.286 4.120 0.005 0.000 0.264 356 V C 0.436 176.575 176.094 0.074 0.000 1.048 356 V CA -0.456 61.801 62.300 -0.072 0.000 0.966 356 V CB 0.732 32.443 31.823 -0.186 0.000 1.015 356 V HN 0.627 nan 8.190 nan 0.000 0.477 357 R N 5.763 126.315 120.500 0.088 0.000 2.413 357 R HA 0.137 4.480 4.340 0.005 0.000 0.333 357 R C 0.636 177.027 176.300 0.152 0.000 1.074 357 R CA -0.244 55.927 56.100 0.118 0.000 0.982 357 R CB 0.030 30.392 30.300 0.103 0.000 0.981 357 R HN 0.669 nan 8.270 nan 0.000 0.452 358 R N 2.373 122.941 120.500 0.114 0.000 2.890 358 R HA -0.137 4.207 4.340 0.005 0.000 0.271 358 R C 0.546 176.819 176.300 -0.046 0.000 0.983 358 R CA 0.647 56.811 56.100 0.106 0.000 1.145 358 R CB 0.210 30.565 30.300 0.092 0.000 1.050 358 R HN 0.540 nan 8.270 nan 0.000 0.465 359 M N 2.173 121.707 119.600 -0.109 0.000 2.061 359 M HA 0.351 4.834 4.480 0.005 0.000 0.346 359 M C -2.312 173.844 176.300 -0.240 0.000 1.112 359 M CA -1.852 53.046 55.300 -0.670 0.000 1.021 359 M CB 1.668 33.934 32.600 -0.557 0.000 1.530 359 M HN 0.186 nan 8.290 nan 0.000 0.437 360 P HA 0.080 nan 4.420 nan 0.000 0.271 360 P C 0.590 178.027 177.300 0.228 0.000 1.226 360 P CA 0.268 63.373 63.100 0.008 0.000 0.765 360 P CB 1.009 32.653 31.700 -0.093 0.000 0.835 361 A N 3.793 126.835 122.820 0.371 0.000 2.110 361 A HA -0.268 4.055 4.320 0.005 0.000 0.226 361 A C 1.744 179.419 177.584 0.153 0.000 1.218 361 A CA 1.862 54.009 52.037 0.184 0.000 0.689 361 A CB -1.777 17.312 19.000 0.150 0.000 0.824 361 A HN 0.563 nan 8.150 nan 0.000 0.496 362 F N -1.542 118.587 119.950 0.299 0.000 2.325 362 F HA 0.123 4.654 4.527 0.006 0.000 0.299 362 F C 0.656 176.618 175.800 0.270 0.000 1.090 362 F CA 0.352 58.511 58.000 0.264 0.000 1.392 362 F CB -0.097 39.029 39.000 0.210 0.000 1.053 362 F HN 0.147 nan 8.300 nan 0.000 0.521 363 F N 0.486 120.545 119.950 0.183 0.000 2.411 363 F HA 0.215 4.745 4.527 0.005 0.000 0.350 363 F C 1.275 177.150 175.800 0.125 0.000 1.114 363 F CA -0.892 57.206 58.000 0.163 0.000 1.135 363 F CB 0.738 39.875 39.000 0.228 0.000 1.120 363 F HN -0.119 nan 8.300 nan 0.000 0.495 364 E N 1.178 121.567 120.200 0.314 0.000 2.190 364 E HA -0.047 4.306 4.350 0.005 0.000 0.191 364 E C 0.885 177.683 176.600 0.330 0.000 0.978 364 E CA 0.432 56.995 56.400 0.272 0.000 0.839 364 E CB 0.348 30.162 29.700 0.190 0.000 0.787 364 E HN 0.582 nan 8.360 nan 0.000 0.473 365 S N -0.352 115.563 115.700 0.358 0.000 2.690 365 S HA 0.576 5.049 4.470 0.005 0.000 0.291 365 S C -0.580 174.349 174.600 0.548 0.000 1.138 365 S CA -0.653 57.764 58.200 0.362 0.000 1.013 365 S CB 1.562 64.930 63.200 0.280 0.000 1.053 365 S HN 0.067 nan 8.310 nan 0.000 0.539 366 F N 1.105 121.159 119.950 0.173 0.000 2.654 366 F HA 0.392 4.922 4.527 0.005 0.000 0.315 366 F C -2.671 173.160 175.800 0.053 0.000 1.042 366 F CA -1.043 57.024 58.000 0.111 0.000 1.048 366 F CB 1.407 40.430 39.000 0.039 0.000 1.287 366 F HN 0.675 nan 8.300 nan 0.000 0.501 367 P HA 0.427 nan 4.420 nan 0.000 0.293 367 P C -0.769 176.390 177.300 -0.235 0.000 1.300 367 P CA -0.346 62.609 63.100 -0.242 0.000 0.792 367 P CB 1.713 33.251 31.700 -0.271 0.000 0.925 368 V N 3.593 123.468 119.914 -0.065 0.000 2.614 368 V HA 0.446 4.570 4.120 0.005 0.000 0.291 368 V C -0.325 175.773 176.094 0.006 0.000 1.049 368 V CA -0.113 62.186 62.300 -0.001 0.000 1.038 368 V CB 0.036 31.870 31.823 0.018 0.000 0.980 368 V HN 0.412 nan 8.190 nan 0.000 0.481 369 I N 5.281 125.862 120.570 0.019 0.000 2.619 369 I HA 0.400 4.573 4.170 0.005 0.000 0.292 369 I C -1.263 174.873 176.117 0.032 0.000 1.100 369 I CA -0.742 60.572 61.300 0.022 0.000 1.043 369 I CB 2.169 40.154 38.000 -0.024 0.000 1.239 369 I HN 0.488 nan 8.210 nan 0.000 0.420 370 L N 5.528 126.774 121.223 0.038 0.000 2.276 370 L HA 0.425 4.768 4.340 0.005 0.000 0.286 370 L C 0.385 177.278 176.870 0.038 0.000 1.024 370 L CA -0.194 54.653 54.840 0.012 0.000 0.826 370 L CB 1.389 43.418 42.059 -0.050 0.000 1.211 370 L HN 0.600 nan 8.230 nan 0.000 0.422 371 T N -1.344 113.236 114.554 0.043 0.000 2.902 371 T HA 0.464 4.817 4.350 0.005 0.000 0.283 371 T C -0.134 174.557 174.700 -0.015 0.000 1.009 371 T CA -0.985 61.123 62.100 0.012 0.000 1.051 371 T CB 1.435 70.289 68.868 -0.023 0.000 0.999 371 T HN 0.538 nan 8.240 nan 0.000 0.474 372 D N 1.268 121.654 120.400 -0.023 0.000 2.419 372 D HA 0.022 4.665 4.640 0.005 0.000 0.236 372 D C 1.486 177.674 176.300 -0.186 0.000 1.165 372 D CA -0.435 53.538 54.000 -0.046 0.000 0.882 372 D CB 0.830 41.615 40.800 -0.025 0.000 1.201 372 D HN 0.651 nan 8.370 nan 0.000 0.443 373 K N 1.886 122.131 120.400 -0.258 0.000 2.374 373 K HA -0.249 4.074 4.320 0.005 0.000 0.202 373 K C 0.146 176.518 176.600 -0.380 0.000 1.044 373 K CA 1.382 57.341 56.287 -0.547 0.000 0.933 373 K CB -0.764 31.585 32.500 -0.253 0.000 0.745 373 K HN 0.504 nan 8.250 nan 0.000 0.474 374 N N 0.231 118.808 118.700 -0.206 0.000 2.389 374 N HA 0.136 4.879 4.740 0.005 0.000 0.260 374 N C 0.267 175.717 175.510 -0.100 0.000 1.191 374 N CA 0.031 53.002 53.050 -0.132 0.000 0.885 374 N CB 1.245 39.687 38.487 -0.076 0.000 1.162 374 N HN 0.382 nan 8.380 nan 0.000 0.512 375 G N 0.255 108.981 108.800 -0.122 0.000 2.245 375 G HA2 -0.321 3.643 3.960 0.005 0.000 0.264 375 G HA3 -0.321 3.643 3.960 0.005 0.000 0.264 375 G C 0.402 175.281 174.900 -0.034 0.000 0.985 375 G CA 0.382 45.440 45.100 -0.070 0.000 0.625 375 G HN 0.211 nan 8.290 nan 0.000 0.536 376 V N 0.682 120.579 119.914 -0.028 0.000 3.237 376 V HA 0.429 4.552 4.120 0.005 0.000 0.305 376 V C 1.136 177.251 176.094 0.035 0.000 1.096 376 V CA -0.110 62.197 62.300 0.011 0.000 1.130 376 V CB 1.652 33.483 31.823 0.014 0.000 1.048 376 V HN 0.469 nan 8.190 nan 0.000 0.484 377 V N 3.083 123.053 119.914 0.093 0.000 2.347 377 V HA 0.414 4.537 4.120 0.005 0.000 0.280 377 V C 0.606 176.861 176.094 0.269 0.000 1.021 377 V CA -0.511 61.867 62.300 0.131 0.000 0.847 377 V CB 1.077 32.939 31.823 0.064 0.000 0.990 377 V HN 0.834 nan 8.190 nan 0.000 0.444 378 K N 2.544 123.056 120.400 0.186 0.000 2.402 378 K HA 0.595 4.918 4.320 0.005 0.000 0.203 378 K C 0.192 176.892 176.600 0.167 0.000 1.077 378 K CA 0.392 56.776 56.287 0.161 0.000 1.051 378 K CB 1.766 34.299 32.500 0.056 0.000 0.907 378 K HN 0.786 nan 8.250 nan 0.000 0.554 379 A N 1.994 124.913 122.820 0.165 0.000 2.577 379 A HA 0.538 4.861 4.320 0.005 0.000 0.297 379 A C -1.773 175.914 177.584 0.170 0.000 1.060 379 A CA -0.766 51.343 52.037 0.119 0.000 0.697 379 A CB 1.301 20.221 19.000 -0.134 0.000 1.281 379 A HN 0.149 nan 8.150 nan 0.000 0.402 380 D N -0.210 120.360 120.400 0.283 0.000 2.692 380 D HA 0.496 5.140 4.640 0.005 0.000 0.303 380 D C -1.156 175.301 176.300 0.263 0.000 1.278 380 D CA -0.430 53.707 54.000 0.228 0.000 0.852 380 D CB 0.613 41.439 40.800 0.043 0.000 1.375 380 D HN 0.442 nan 8.370 nan 0.000 0.453 381 I N 0.456 121.080 120.570 0.090 0.000 2.464 381 I HA 0.292 4.465 4.170 0.005 0.000 0.277 381 I C -2.298 173.823 176.117 0.006 0.000 1.040 381 I CA -1.712 59.579 61.300 -0.014 0.000 1.153 381 I CB 1.162 39.083 38.000 -0.132 0.000 1.274 381 I HN 0.029 nan 8.210 nan 0.000 0.469 382 P HA -0.061 nan 4.420 nan 0.000 0.267 382 P C -0.064 177.279 177.300 0.071 0.000 1.195 382 P CA 0.219 63.357 63.100 0.063 0.000 0.773 382 P CB 0.792 32.534 31.700 0.069 0.000 0.837 383 F N 1.549 121.487 119.950 -0.020 0.000 2.557 383 F HA 0.161 4.691 4.527 0.005 0.000 0.278 383 F C 2.004 177.798 175.800 -0.009 0.000 1.051 383 F CA 0.650 58.639 58.000 -0.018 0.000 1.357 383 F CB 0.079 39.064 39.000 -0.024 0.000 1.104 383 F HN 0.070 nan 8.300 nan 0.000 0.654 384 R N 0.413 121.101 120.500 0.314 0.000 2.062 384 R HA -0.106 4.237 4.340 0.005 0.000 0.231 384 R C 1.388 177.762 176.300 0.123 0.000 1.136 384 R CA 1.413 57.631 56.100 0.198 0.000 0.948 384 R CB -0.612 29.753 30.300 0.107 0.000 0.845 384 R HN 0.247 nan 8.270 nan 0.000 0.430 385 R N -1.747 118.811 120.500 0.095 0.000 3.977 385 R HA -0.248 4.095 4.340 0.005 0.000 0.428 385 R C 0.956 177.289 176.300 0.055 0.000 1.079 385 R CA 0.939 57.076 56.100 0.062 0.000 1.269 385 R CB -1.515 28.803 30.300 0.030 0.000 1.856 385 R HN 0.413 nan 8.270 nan 0.000 0.551 386 A N -0.441 122.414 122.820 0.059 0.000 2.140 386 A HA 0.181 4.504 4.320 0.005 0.000 0.209 386 A C 1.135 178.749 177.584 0.050 0.000 1.181 386 A CA 0.548 52.614 52.037 0.048 0.000 0.824 386 A CB 0.269 19.296 19.000 0.044 0.000 0.879 386 A HN 0.432 nan 8.150 nan 0.000 0.480 387 E N 0.382 120.617 120.200 0.059 0.000 2.869 387 E HA 0.159 4.512 4.350 0.005 0.000 0.207 387 E C -0.422 176.227 176.600 0.081 0.000 0.986 387 E CA -0.243 56.194 56.400 0.061 0.000 1.131 387 E CB 0.501 30.233 29.700 0.053 0.000 1.098 387 E HN 0.331 nan 8.360 nan 0.000 0.459 388 S N 0.655 116.408 115.700 0.088 0.000 2.533 388 S HA 0.096 4.569 4.470 0.005 0.000 0.282 388 S C 0.897 175.587 174.600 0.151 0.000 1.304 388 S CA 0.181 58.453 58.200 0.119 0.000 1.063 388 S CB 0.824 64.091 63.200 0.112 0.000 0.881 388 S HN 0.227 nan 8.310 nan 0.000 0.493 389 K N 3.044 123.596 120.400 0.253 0.000 2.399 389 K HA 0.142 4.466 4.320 0.005 0.000 0.196 389 K C -0.253 176.528 176.600 0.302 0.000 1.117 389 K CA 0.338 56.788 56.287 0.271 0.000 0.965 389 K CB 0.258 32.980 32.500 0.369 0.000 0.983 389 K HN 0.765 nan 8.250 nan 0.000 0.531 390 Y N 0.165 120.497 120.300 0.053 0.000 2.696 390 Y HA 0.291 4.844 4.550 0.005 0.000 0.260 390 Y C 0.332 176.293 175.900 0.103 0.000 1.165 390 Y CA -1.132 57.005 58.100 0.061 0.000 1.189 390 Y CB 0.129 38.620 38.460 0.052 0.000 1.180 390 Y HN -0.181 nan 8.280 nan 0.000 0.538 391 S N 0.137 115.993 115.700 0.260 0.000 2.563 391 S HA -0.017 4.456 4.470 0.005 0.000 0.284 391 S C 1.328 176.111 174.600 0.306 0.000 1.331 391 S CA -0.254 58.102 58.200 0.260 0.000 1.047 391 S CB 0.235 63.541 63.200 0.177 0.000 0.859 391 S HN 0.314 nan 8.310 nan 0.000 0.514 392 F N 2.908 122.912 119.950 0.090 0.000 2.087 392 F HA -0.145 4.385 4.527 0.005 0.000 0.299 392 F C 2.242 178.087 175.800 0.076 0.000 1.100 392 F CA 2.256 60.312 58.000 0.093 0.000 1.226 392 F CB -0.820 38.238 39.000 0.096 0.000 0.983 392 F HN 0.712 nan 8.300 nan 0.000 0.479 393 E N -0.501 119.865 120.200 0.276 0.000 2.072 393 E HA -0.235 4.118 4.350 0.005 0.000 0.191 393 E C 2.097 178.764 176.600 0.112 0.000 0.985 393 E CA 1.364 57.861 56.400 0.162 0.000 0.801 393 E CB -0.409 29.363 29.700 0.120 0.000 0.750 393 E HN 0.604 nan 8.360 nan 0.000 0.452 394 Q N 0.014 119.880 119.800 0.109 0.000 2.451 394 Q HA -0.041 4.303 4.340 0.005 0.000 0.206 394 Q C 1.292 177.322 176.000 0.050 0.000 0.947 394 Q CA 0.687 56.533 55.803 0.071 0.000 0.937 394 Q CB 0.380 29.160 28.738 0.069 0.000 1.025 394 Q HN 0.125 nan 8.270 nan 0.000 0.511 395 Q N 0.170 120.006 119.800 0.060 0.000 2.159 395 Q HA 0.157 4.500 4.340 0.005 0.000 0.217 395 Q C 0.046 176.052 176.000 0.011 0.000 0.818 395 Q CA 0.377 56.192 55.803 0.020 0.000 1.008 395 Q CB 1.306 30.051 28.738 0.012 0.000 1.148 395 Q HN 0.598 nan 8.270 nan 0.000 0.491 396 G N 1.697 110.521 108.800 0.040 0.000 2.412 396 G HA2 -0.264 3.700 3.960 0.005 0.000 0.297 396 G HA3 -0.264 3.700 3.960 0.005 0.000 0.297 396 G C 0.383 175.289 174.900 0.010 0.000 0.965 396 G CA 0.478 45.602 45.100 0.040 0.000 1.134 396 G HN 0.191 nan 8.290 nan 0.000 0.511 397 V N -0.174 119.722 119.914 -0.029 0.000 3.096 397 V HA 0.693 4.816 4.120 0.005 0.000 0.306 397 V C 0.968 177.065 176.094 0.005 0.000 1.088 397 V CA 0.810 63.026 62.300 -0.142 0.000 1.129 397 V CB 1.553 32.980 31.823 -0.660 0.000 1.014 397 V HN 0.885 nan 8.190 nan 0.000 0.486 398 T N 2.034 116.586 114.554 -0.004 0.000 2.840 398 T HA 0.611 4.964 4.350 0.005 0.000 0.317 398 T C -1.677 172.954 174.700 -0.115 0.000 1.401 398 T CA -0.392 61.712 62.100 0.007 0.000 1.028 398 T CB 1.724 70.590 68.868 -0.003 0.000 1.317 398 T HN 0.458 nan 8.240 nan 0.000 0.495 399 V N 2.806 122.608 119.914 -0.187 0.000 2.638 399 V HA 0.743 4.866 4.120 0.005 0.000 0.306 399 V C -0.130 175.700 176.094 -0.440 0.000 1.052 399 V CA -0.723 61.277 62.300 -0.501 0.000 0.885 399 V CB 2.025 33.387 31.823 -0.768 0.000 0.999 399 V HN 1.014 nan 8.190 nan 0.000 0.424 400 S N 2.915 118.314 115.700 -0.502 0.000 2.689 400 S HA 0.870 5.344 4.470 0.005 0.000 0.306 400 S C -1.207 173.047 174.600 -0.577 0.000 1.104 400 S CA -0.449 57.510 58.200 -0.401 0.000 0.973 400 S CB 1.726 64.831 63.200 -0.158 0.000 1.121 400 S HN 0.473 nan 8.310 nan 0.000 0.523 401 F N 1.173 120.808 119.950 -0.526 0.000 2.561 401 F HA 0.548 5.078 4.527 0.005 0.000 0.313 401 F C -1.345 174.099 175.800 -0.594 0.000 1.126 401 F CA -0.590 57.131 58.000 -0.466 0.000 0.918 401 F CB 1.498 40.172 39.000 -0.543 0.000 1.199 401 F HN 0.438 nan 8.300 nan 0.000 0.444 402 Y N 1.361 121.579 120.300 -0.136 0.000 2.391 402 Y HA 0.683 5.237 4.550 0.005 0.000 0.341 402 Y C 0.554 176.482 175.900 0.047 0.000 0.965 402 Y CA -1.245 56.822 58.100 -0.055 0.000 1.067 402 Y CB 1.605 40.014 38.460 -0.086 0.000 1.199 402 Y HN 0.896 nan 8.280 nan 0.000 0.450 403 G N 0.805 109.766 108.800 0.269 0.000 2.741 403 G HA2 0.326 4.289 3.960 0.005 0.000 0.222 403 G HA3 0.326 4.289 3.960 0.005 0.000 0.222 403 G C 0.360 175.306 174.900 0.077 0.000 1.364 403 G CA -0.080 45.248 45.100 0.380 0.000 0.866 403 G HN 1.888 nan 8.290 nan 0.000 0.555 404 G N -0.873 108.084 108.800 0.262 0.000 2.527 404 G HA2 0.078 4.041 3.960 0.005 0.000 0.268 404 G HA3 0.078 4.041 3.960 0.005 0.000 0.268 404 G C 0.905 175.754 174.900 -0.084 0.000 1.175 404 G CA 1.751 46.826 45.100 -0.042 0.000 0.962 404 G HN 2.374 nan 8.290 nan 0.000 0.560 405 E N -0.969 119.091 120.200 -0.234 0.000 2.474 405 E HA 0.379 4.733 4.350 0.005 0.000 0.215 405 E C 2.277 178.729 176.600 -0.247 0.000 0.867 405 E CA 0.099 56.391 56.400 -0.181 0.000 1.135 405 E CB -0.008 29.595 29.700 -0.163 0.000 1.147 405 E HN 0.322 nan 8.360 nan 0.000 0.534 406 L N 2.018 123.001 121.223 -0.400 0.000 2.027 406 L HA 0.022 4.365 4.340 0.005 0.000 0.206 406 L C 0.518 177.168 176.870 -0.367 0.000 1.074 406 L CA 1.255 55.798 54.840 -0.495 0.000 0.745 406 L CB -1.509 39.935 42.059 -1.024 0.000 0.898 406 L HN 0.251 nan 8.230 nan 0.000 0.433 407 N N -0.342 118.178 118.700 -0.300 0.000 2.633 407 N HA -0.216 4.527 4.740 0.005 0.000 0.402 407 N C 1.097 176.458 175.510 -0.249 0.000 1.099 407 N CA 1.203 54.131 53.050 -0.203 0.000 2.096 407 N CB -0.009 38.417 38.487 -0.102 0.000 0.717 407 N HN 0.553 nan 8.380 nan 0.000 0.767 408 G N 0.849 109.462 108.800 -0.310 0.000 2.243 408 G HA2 -0.372 3.591 3.960 0.005 0.000 0.276 408 G HA3 -0.372 3.591 3.960 0.005 0.000 0.276 408 G C 0.150 174.849 174.900 -0.335 0.000 0.997 408 G CA 1.364 46.262 45.100 -0.336 0.000 0.693 408 G HN 0.925 nan 8.290 nan 0.000 0.529 409 Q N -0.124 119.450 119.800 -0.376 0.000 2.215 409 Q HA 0.696 5.039 4.340 0.005 0.000 0.256 409 Q C 0.204 175.891 176.000 -0.523 0.000 0.972 409 Q CA -0.034 55.508 55.803 -0.437 0.000 0.889 409 Q CB 1.365 29.797 28.738 -0.510 0.000 1.281 409 Q HN 0.462 nan 8.270 nan 0.000 0.456 410 T N -1.176 113.029 114.554 -0.581 0.000 2.909 410 T HA 0.677 5.030 4.350 0.005 0.000 0.299 410 T C -1.139 173.228 174.700 -0.555 0.000 1.073 410 T CA -0.629 61.169 62.100 -0.504 0.000 0.999 410 T CB 0.738 69.440 68.868 -0.277 0.000 1.098 410 T HN 0.297 nan 8.240 nan 0.000 0.477 411 F N 0.760 120.681 119.950 -0.049 0.000 2.507 411 F HA 0.684 5.214 4.527 0.005 0.000 0.325 411 F C 1.339 177.144 175.800 0.008 0.000 1.116 411 F CA -1.104 56.900 58.000 0.006 0.000 0.930 411 F CB 2.431 41.476 39.000 0.076 0.000 1.146 411 F HN 0.840 nan 8.300 nan 0.000 0.447 412 T N -0.388 114.309 114.554 0.238 0.000 2.999 412 T HA 0.030 4.383 4.350 0.005 0.000 0.247 412 T C -0.126 174.661 174.700 0.145 0.000 1.012 412 T CA 0.100 62.288 62.100 0.146 0.000 1.048 412 T CB -0.528 68.395 68.868 0.091 0.000 1.020 412 T HN 0.615 nan 8.240 nan 0.000 0.478 413 D N 2.209 122.692 120.400 0.138 0.000 2.451 413 D HA 0.091 4.734 4.640 0.005 0.000 0.254 413 D C -1.684 174.687 176.300 0.119 0.000 1.204 413 D CA -1.097 52.965 54.000 0.103 0.000 0.896 413 D CB 0.630 41.471 40.800 0.068 0.000 1.136 413 D HN 0.123 nan 8.370 nan 0.000 0.499 414 P HA -0.226 nan 4.420 nan 0.000 0.221 414 P C -1.555 175.801 177.300 0.093 0.000 1.153 414 P CA 1.561 64.751 63.100 0.150 0.000 0.858 414 P CB -0.603 31.168 31.700 0.117 0.000 0.783 415 P HA -0.093 nan 4.420 nan 0.000 0.206 415 P C 1.580 178.882 177.300 0.003 0.000 1.209 415 P CA 1.778 64.874 63.100 -0.007 0.000 0.923 415 P CB -0.787 30.899 31.700 -0.023 0.000 0.761 416 T N -0.228 114.324 114.554 -0.003 0.000 2.721 416 T HA -0.160 4.193 4.350 0.005 0.000 0.268 416 T C 1.831 176.638 174.700 0.177 0.000 1.038 416 T CA 1.407 63.501 62.100 -0.011 0.000 1.145 416 T CB -1.231 67.572 68.868 -0.108 0.000 0.858 416 T HN -0.158 nan 8.240 nan 0.000 0.459 417 V N 1.232 121.298 119.914 0.253 0.000 2.287 417 V HA -0.236 3.887 4.120 0.005 0.000 0.248 417 V C 2.445 178.843 176.094 0.507 0.000 1.053 417 V CA 1.709 64.252 62.300 0.406 0.000 1.027 417 V CB -0.489 31.587 31.823 0.423 0.000 0.646 417 V HN 0.516 nan 8.190 nan 0.000 0.447 418 K N -0.071 120.458 120.400 0.214 0.000 1.965 418 K HA -0.225 4.098 4.320 0.005 0.000 0.220 418 K C 2.402 179.031 176.600 0.049 0.000 1.046 418 K CA 1.888 58.051 56.287 -0.206 0.000 0.974 418 K CB -0.807 31.429 32.500 -0.440 0.000 0.738 418 K HN 0.366 nan 8.250 nan 0.000 0.444 419 S N 0.345 116.039 115.700 -0.010 0.000 2.427 419 S HA -0.310 4.163 4.470 0.005 0.000 0.261 419 S C 1.954 176.612 174.600 0.097 0.000 1.091 419 S CA 2.107 60.294 58.200 -0.021 0.000 1.251 419 S CB -0.730 62.383 63.200 -0.144 0.000 1.160 419 S HN 0.332 nan 8.310 nan 0.000 0.436 420 Y N 1.828 122.263 120.300 0.226 0.000 2.219 420 Y HA -0.235 4.318 4.550 0.005 0.000 0.283 420 Y C 2.620 178.828 175.900 0.512 0.000 1.191 420 Y CA 1.099 59.408 58.100 0.349 0.000 1.199 420 Y CB -1.072 37.587 38.460 0.332 0.000 0.972 420 Y HN 0.434 nan 8.280 nan 0.000 0.527 421 A N -0.060 123.176 122.820 0.693 0.000 1.840 421 A HA -0.182 4.141 4.320 0.005 0.000 0.214 421 A C 2.382 180.064 177.584 0.163 0.000 1.198 421 A CA 1.505 53.776 52.037 0.389 0.000 0.608 421 A CB -0.791 18.416 19.000 0.346 0.000 0.839 421 A HN 0.387 nan 8.150 nan 0.000 0.443 422 R N -0.154 120.414 120.500 0.113 0.000 2.154 422 R HA -0.210 4.134 4.340 0.005 0.000 0.248 422 R C 1.768 178.078 176.300 0.016 0.000 1.155 422 R CA 2.148 58.261 56.100 0.022 0.000 0.979 422 R CB -0.223 30.094 30.300 0.029 0.000 0.869 422 R HN 0.418 nan 8.270 nan 0.000 0.452 423 K N -0.693 119.846 120.400 0.233 0.000 2.400 423 K HA 0.115 4.438 4.320 0.005 0.000 0.194 423 K C 1.499 178.400 176.600 0.501 0.000 1.033 423 K CA 0.714 57.294 56.287 0.488 0.000 1.021 423 K CB 0.307 33.077 32.500 0.449 0.000 0.808 423 K HN 0.289 nan 8.250 nan 0.000 0.505 424 A N 0.285 123.305 122.820 0.333 0.000 2.072 424 A HA 0.052 4.375 4.320 0.005 0.000 0.216 424 A C 1.792 179.495 177.584 0.198 0.000 1.156 424 A CA 0.404 52.635 52.037 0.323 0.000 0.701 424 A CB -0.279 18.884 19.000 0.273 0.000 0.816 424 A HN 0.305 nan 8.150 nan 0.000 0.458 425 I N -0.927 119.635 120.570 -0.014 0.000 2.850 425 I HA -0.180 3.994 4.170 0.005 0.000 0.266 425 I C 0.894 176.968 176.117 -0.071 0.000 1.257 425 I CA 0.874 62.116 61.300 -0.097 0.000 1.465 425 I CB -0.057 37.788 38.000 -0.258 0.000 1.091 425 I HN 0.343 nan 8.210 nan 0.000 0.467 426 F N 0.105 120.226 119.950 0.286 0.000 2.765 426 F HA 0.307 4.837 4.527 0.006 0.000 0.302 426 F C 1.502 177.477 175.800 0.291 0.000 1.111 426 F CA 0.518 58.634 58.000 0.193 0.000 1.359 426 F CB -0.168 38.995 39.000 0.271 0.000 1.097 426 F HN 0.123 nan 8.300 nan 0.000 0.577 427 G N -0.367 108.811 108.800 0.630 0.000 2.637 427 G HA2 -0.154 3.809 3.960 0.005 0.000 0.211 427 G HA3 -0.154 3.809 3.960 0.005 0.000 0.211 427 G C -0.741 174.578 174.900 0.697 0.000 1.213 427 G CA -0.859 44.677 45.100 0.726 0.000 1.207 427 G HN -0.067 nan 8.290 nan 0.000 0.559 428 E N 1.053 121.745 120.200 0.819 0.000 2.194 428 E HA 0.548 4.901 4.350 0.005 0.000 0.284 428 E C 0.396 177.522 176.600 0.876 0.000 1.035 428 E CA -0.497 56.434 56.400 0.886 0.000 0.836 428 E CB 1.185 31.559 29.700 1.124 0.000 1.070 428 E HN 0.405 nan 8.360 nan 0.000 0.401 429 I N 2.905 123.849 120.570 0.623 0.000 2.993 429 I HA 0.009 4.182 4.170 0.005 0.000 0.286 429 I C 0.347 176.713 176.117 0.414 0.000 1.215 429 I CA 0.793 62.408 61.300 0.525 0.000 1.393 429 I CB -0.001 38.262 38.000 0.439 0.000 1.371 429 I HN 0.350 nan 8.210 nan 0.000 0.602 430 F N 1.011 120.940 119.950 -0.035 0.000 2.789 430 F HA 0.405 4.935 4.527 0.005 0.000 0.319 430 F C -0.281 175.243 175.800 -0.460 0.000 1.168 430 F CA -0.887 56.868 58.000 -0.408 0.000 0.934 430 F CB 1.266 39.677 39.000 -0.982 0.000 1.375 430 F HN 0.364 nan 8.300 nan 0.000 0.480 431 E N 1.341 121.294 120.200 -0.412 0.000 2.145 431 E HA 0.440 4.793 4.350 0.005 0.000 0.262 431 E C -1.877 174.476 176.600 -0.412 0.000 0.883 431 E CA -0.342 55.888 56.400 -0.284 0.000 0.748 431 E CB 0.704 30.293 29.700 -0.184 0.000 1.140 431 E HN 0.350 nan 8.360 nan 0.000 0.417 432 F N 2.867 122.794 119.950 -0.038 0.000 2.427 432 F HA 0.190 4.720 4.527 0.005 0.000 0.346 432 F C 0.378 176.146 175.800 -0.054 0.000 1.120 432 F CA -1.119 56.846 58.000 -0.059 0.000 1.033 432 F CB 1.045 39.993 39.000 -0.087 0.000 1.126 432 F HN 0.373 nan 8.300 nan 0.000 0.462 433 D N 1.447 121.908 120.400 0.101 0.000 2.325 433 D HA 0.099 4.742 4.640 0.005 0.000 0.251 433 D C 0.818 177.149 176.300 0.051 0.000 1.196 433 D CA -0.170 53.856 54.000 0.044 0.000 0.866 433 D CB 1.296 42.099 40.800 0.005 0.000 1.101 433 D HN 0.635 nan 8.370 nan 0.000 0.476 434 T N 0.709 115.280 114.554 0.027 0.000 3.000 434 T HA 0.013 4.366 4.350 0.005 0.000 0.248 434 T C 1.467 176.157 174.700 -0.017 0.000 1.034 434 T CA 0.308 62.407 62.100 -0.001 0.000 1.060 434 T CB -0.167 68.687 68.868 -0.022 0.000 0.983 434 T HN 0.282 nan 8.240 nan 0.000 0.482 435 E N 1.977 122.167 120.200 -0.017 0.000 2.049 435 E HA -0.145 4.208 4.350 0.005 0.000 0.198 435 E C 2.175 178.758 176.600 -0.027 0.000 1.007 435 E CA 2.309 58.694 56.400 -0.024 0.000 0.809 435 E CB -1.089 28.596 29.700 -0.025 0.000 0.749 435 E HN 0.511 nan 8.360 nan 0.000 0.450 436 T N 0.344 114.882 114.554 -0.027 0.000 2.624 436 T HA -0.202 4.151 4.350 0.005 0.000 0.268 436 T C 1.785 176.464 174.700 -0.034 0.000 1.041 436 T CA 1.728 63.808 62.100 -0.033 0.000 1.159 436 T CB -0.338 68.507 68.868 -0.038 0.000 0.863 436 T HN 0.139 nan 8.240 nan 0.000 0.434 437 L N 0.290 121.494 121.223 -0.031 0.000 2.477 437 L HA 0.211 4.554 4.340 0.005 0.000 0.220 437 L C 0.670 177.523 176.870 -0.029 0.000 1.106 437 L CA -0.003 54.819 54.840 -0.030 0.000 0.851 437 L CB 0.052 42.095 42.059 -0.027 0.000 0.994 437 L HN 0.345 nan 8.230 nan 0.000 0.462 438 N N 0.658 119.340 118.700 -0.030 0.000 2.729 438 N HA -0.154 4.589 4.740 0.005 0.000 0.259 438 N C -0.298 175.190 175.510 -0.038 0.000 1.119 438 N CA 0.509 53.540 53.050 -0.033 0.000 0.679 438 N CB -0.802 37.667 38.487 -0.030 0.000 0.892 438 N HN 0.100 nan 8.380 nan 0.000 0.558 439 S N 0.602 116.274 115.700 -0.047 0.000 2.617 439 S HA 0.142 4.616 4.470 0.005 0.000 0.259 439 S C 1.416 175.970 174.600 -0.076 0.000 1.301 439 S CA 0.196 58.357 58.200 -0.065 0.000 0.984 439 S CB 0.814 63.962 63.200 -0.087 0.000 0.954 439 S HN 0.625 nan 8.310 nan 0.000 0.572 440 D N -1.308 119.035 120.400 -0.096 0.000 2.422 440 D HA 0.231 4.874 4.640 0.005 0.000 0.218 440 D C 1.102 177.321 176.300 -0.135 0.000 1.047 440 D CA 0.690 54.632 54.000 -0.096 0.000 0.885 440 D CB -0.441 40.313 40.800 -0.076 0.000 1.035 440 D HN 0.816 nan 8.370 nan 0.000 0.502 441 G N 0.279 108.958 108.800 -0.201 0.000 2.168 441 G HA2 -0.144 3.820 3.960 0.005 0.000 0.197 441 G HA3 -0.144 3.820 3.960 0.005 0.000 0.197 441 G C -0.067 174.599 174.900 -0.390 0.000 0.997 441 G CA 0.066 45.000 45.100 -0.276 0.000 0.658 441 G HN 0.379 nan 8.290 nan 0.000 0.513 442 I N 0.210 120.565 120.570 -0.357 0.000 2.740 442 I HA 0.648 4.821 4.170 0.005 0.000 0.303 442 I C 0.381 176.254 176.117 -0.406 0.000 1.044 442 I CA -1.495 59.566 61.300 -0.398 0.000 1.064 442 I CB 1.396 39.296 38.000 -0.166 0.000 1.249 442 I HN -0.078 nan 8.210 nan 0.000 0.433 443 F N 2.434 122.298 119.950 -0.143 0.000 2.403 443 F HA 0.519 5.049 4.527 0.005 0.000 0.320 443 F C 0.472 176.213 175.800 -0.098 0.000 1.176 443 F CA -0.164 57.745 58.000 -0.152 0.000 1.206 443 F CB 0.418 39.303 39.000 -0.192 0.000 1.235 443 F HN 0.309 nan 8.300 nan 0.000 0.565 444 R N -0.906 119.680 120.500 0.143 0.000 2.888 444 R HA 0.508 4.851 4.340 0.005 0.000 0.264 444 R C -0.827 175.479 176.300 0.011 0.000 1.045 444 R CA -0.883 55.262 56.100 0.075 0.000 0.962 444 R CB 1.833 32.202 30.300 0.114 0.000 1.210 444 R HN 0.658 nan 8.270 nan 0.000 0.479 445 T N -0.222 114.276 114.554 -0.094 0.000 2.902 445 T HA 0.427 4.780 4.350 0.005 0.000 0.283 445 T C -0.149 174.521 174.700 -0.051 0.000 1.009 445 T CA -0.517 61.469 62.100 -0.190 0.000 1.051 445 T CB 0.570 69.145 68.868 -0.490 0.000 0.999 445 T HN 0.625 nan 8.240 nan 0.000 0.474 446 S N 4.668 120.380 115.700 0.020 0.000 2.593 446 S HA 0.278 4.751 4.470 0.005 0.000 0.269 446 S C -1.712 173.017 174.600 0.215 0.000 1.334 446 S CA -0.931 57.364 58.200 0.158 0.000 1.015 446 S CB 0.572 63.844 63.200 0.120 0.000 0.912 446 S HN 0.560 nan 8.310 nan 0.000 0.541 447 P HA -0.261 nan 4.420 nan 0.000 0.218 447 P C 1.727 179.246 177.300 0.364 0.000 1.165 447 P CA 1.882 65.179 63.100 0.329 0.000 0.922 447 P CB -0.099 31.640 31.700 0.065 0.000 0.794 448 R N -0.334 120.313 120.500 0.244 0.000 2.140 448 R HA -0.189 4.154 4.340 0.005 0.000 0.250 448 R C 2.283 178.837 176.300 0.423 0.000 1.150 448 R CA 2.433 58.745 56.100 0.353 0.000 0.966 448 R CB -1.484 28.939 30.300 0.205 0.000 0.869 448 R HN 0.207 nan 8.270 nan 0.000 0.445 449 G N 0.000 108.974 108.800 0.289 0.000 2.511 449 G HA2 -0.294 3.669 3.960 0.005 0.000 0.216 449 G HA3 -0.294 3.669 3.960 0.005 0.000 0.216 449 G C 1.048 176.074 174.900 0.210 0.000 1.218 449 G CA 0.930 46.183 45.100 0.255 0.000 0.788 449 G HN 0.548 nan 8.290 nan 0.000 0.560 450 W N -0.023 121.423 121.300 0.244 0.000 2.315 450 W HA -0.084 4.580 4.660 0.006 0.000 0.323 450 W C 2.320 179.006 176.519 0.279 0.000 1.233 450 W CA 0.840 58.304 57.345 0.199 0.000 1.267 450 W CB -0.828 28.678 29.460 0.076 0.000 1.160 450 W HN 0.172 nan 8.180 nan 0.000 0.474 451 F N 1.384 121.637 119.950 0.507 0.000 2.141 451 F HA -0.377 4.154 4.527 0.005 0.000 0.300 451 F C 2.240 178.369 175.800 0.548 0.000 1.079 451 F CA 2.495 60.849 58.000 0.590 0.000 1.264 451 F CB -0.602 38.821 39.000 0.705 0.000 1.011 451 F HN -0.235 nan 8.300 nan 0.000 0.487 452 T N 0.265 115.264 114.554 0.741 0.000 2.701 452 T HA -0.239 4.114 4.350 0.005 0.000 0.263 452 T C 1.548 176.386 174.700 0.231 0.000 1.040 452 T CA 1.441 63.828 62.100 0.478 0.000 1.147 452 T CB -0.858 68.202 68.868 0.321 0.000 0.865 452 T HN 0.380 nan 8.240 nan 0.000 0.426 453 F N 2.193 122.154 119.950 0.019 0.000 2.494 453 F HA 0.142 4.672 4.527 0.005 0.000 0.298 453 F C 2.044 177.757 175.800 -0.145 0.000 1.106 453 F CA 0.114 58.056 58.000 -0.096 0.000 1.452 453 F CB -0.565 38.377 39.000 -0.097 0.000 1.085 453 F HN 0.127 nan 8.300 nan 0.000 0.569 454 A N -0.089 122.608 122.820 -0.204 0.000 1.843 454 A HA -0.100 4.224 4.320 0.005 0.000 0.213 454 A C 0.979 178.203 177.584 -0.601 0.000 1.239 454 A CA 1.025 52.711 52.037 -0.586 0.000 0.606 454 A CB -1.193 17.515 19.000 -0.486 0.000 0.903 454 A HN 0.491 nan 8.150 nan 0.000 0.455 455 H N 0.004 118.936 119.070 -0.231 0.000 3.262 455 H HA 0.544 5.103 4.556 0.005 0.000 0.270 455 H C 0.802 175.975 175.328 -0.258 0.000 1.431 455 H CA 0.336 56.286 56.048 -0.164 0.000 1.237 455 H CB -0.237 29.420 29.762 -0.175 0.000 1.443 455 H HN 0.497 nan 8.280 nan 0.000 0.609 456 A N -0.324 122.322 122.820 -0.291 0.000 1.878 456 A HA 0.114 4.437 4.320 0.005 0.000 0.188 456 A C 1.915 179.309 177.584 -0.316 0.000 2.104 456 A CA 0.185 52.039 52.037 -0.305 0.000 1.140 456 A CB -0.253 18.586 19.000 -0.268 0.000 1.057 456 A HN 0.234 nan 8.150 nan 0.000 0.646 457 V N 0.494 120.131 119.914 -0.462 0.000 2.594 457 V HA -0.184 3.939 4.120 0.005 0.000 0.253 457 V C 2.286 178.275 176.094 -0.174 0.000 1.069 457 V CA 1.856 63.944 62.300 -0.354 0.000 1.082 457 V CB -1.099 30.377 31.823 -0.579 0.000 0.680 457 V HN 0.482 nan 8.190 nan 0.000 0.469 458 F N 1.087 120.879 119.950 -0.263 0.000 2.060 458 F HA -0.057 4.474 4.527 0.005 0.000 0.295 458 F C 2.489 178.247 175.800 -0.070 0.000 1.120 458 F CA 1.152 59.047 58.000 -0.175 0.000 1.205 458 F CB -1.412 37.375 39.000 -0.355 0.000 0.986 458 F HN 0.117 nan 8.300 nan 0.000 0.470 459 A N -0.259 122.544 122.820 -0.028 0.000 1.930 459 A HA -0.140 4.183 4.320 0.005 0.000 0.217 459 A C 2.234 179.913 177.584 0.158 0.000 1.175 459 A CA 1.238 53.230 52.037 -0.074 0.000 0.627 459 A CB -1.177 17.421 19.000 -0.669 0.000 0.815 459 A HN 0.427 nan 8.150 nan 0.000 0.443 460 L N -0.881 120.397 121.223 0.092 0.000 2.362 460 L HA -0.045 4.299 4.340 0.005 0.000 0.219 460 L C 2.047 179.100 176.870 0.306 0.000 1.134 460 L CA 0.718 55.727 54.840 0.280 0.000 0.807 460 L CB -0.086 42.085 42.059 0.186 0.000 0.927 460 L HN 0.411 nan 8.230 nan 0.000 0.447 461 L N -2.193 119.230 121.223 0.334 0.000 2.200 461 L HA -0.069 4.274 4.340 0.005 0.000 0.200 461 L C 2.185 179.331 176.870 0.460 0.000 1.072 461 L CA 0.686 55.748 54.840 0.370 0.000 0.787 461 L CB -0.453 41.797 42.059 0.319 0.000 0.957 461 L HN 0.082 nan 8.230 nan 0.000 0.459 462 F N 0.232 120.344 119.950 0.270 0.000 2.147 462 F HA -0.356 4.174 4.527 0.005 0.000 0.301 462 F C 2.378 178.369 175.800 0.319 0.000 1.084 462 F CA 1.902 60.082 58.000 0.299 0.000 1.268 462 F CB -0.375 38.838 39.000 0.354 0.000 1.009 462 F HN 0.130 nan 8.300 nan 0.000 0.486 463 F N -0.724 119.271 119.950 0.075 0.000 2.408 463 F HA -0.221 4.309 4.527 0.005 0.000 0.300 463 F C 1.865 177.727 175.800 0.103 0.000 1.090 463 F CA 0.836 58.702 58.000 -0.223 0.000 1.427 463 F CB -0.782 37.760 39.000 -0.764 0.000 1.070 463 F HN 0.010 nan 8.300 nan 0.000 0.549 464 F N 1.403 121.250 119.950 -0.173 0.000 2.293 464 F HA 0.230 4.760 4.527 0.005 0.000 0.297 464 F C 2.190 177.856 175.800 -0.224 0.000 1.089 464 F CA 1.160 58.940 58.000 -0.367 0.000 1.377 464 F CB -0.851 38.099 39.000 -0.084 0.000 1.051 464 F HN -0.015 nan 8.300 nan 0.000 0.511 465 G N -0.910 107.731 108.800 -0.264 0.000 2.402 465 G HA2 -0.316 3.647 3.960 0.005 0.000 0.216 465 G HA3 -0.316 3.647 3.960 0.005 0.000 0.216 465 G C 1.479 176.237 174.900 -0.237 0.000 1.162 465 G CA 1.032 45.928 45.100 -0.339 0.000 0.777 465 G HN 0.514 nan 8.290 nan 0.000 0.539 466 H N 0.859 119.860 119.070 -0.115 0.000 2.289 466 H HA -0.001 4.558 4.556 0.005 0.000 0.296 466 H C 2.391 177.610 175.328 -0.182 0.000 1.091 466 H CA 1.751 57.796 56.048 -0.004 0.000 1.274 466 H CB -0.356 29.555 29.762 0.249 0.000 1.364 466 H HN 0.291 nan 8.280 nan 0.000 0.490 467 I N -0.214 119.975 120.570 -0.635 0.000 2.493 467 I HA -0.251 3.922 4.170 0.005 0.000 0.254 467 I C 2.383 178.136 176.117 -0.607 0.000 1.160 467 I CA 0.931 61.826 61.300 -0.675 0.000 1.445 467 I CB -0.326 37.264 38.000 -0.684 0.000 1.086 467 I HN 0.542 nan 8.210 nan 0.000 0.433 468 W N 1.288 122.053 121.300 -0.891 0.000 2.441 468 W HA -0.146 4.517 4.660 0.005 0.000 0.302 468 W C 2.380 178.593 176.519 -0.511 0.000 1.191 468 W CA 1.228 58.102 57.345 -0.785 0.000 1.327 468 W CB -0.406 28.442 29.460 -1.019 0.000 1.128 468 W HN 0.194 nan 8.180 nan 0.000 0.522 469 H N -0.084 118.784 119.070 -0.336 0.000 2.403 469 H HA 0.018 4.577 4.556 0.005 0.000 0.298 469 H C 2.521 177.602 175.328 -0.411 0.000 1.059 469 H CA 1.522 57.356 56.048 -0.355 0.000 1.363 469 H CB -1.090 28.607 29.762 -0.108 0.000 1.410 469 H HN 0.242 nan 8.280 nan 0.000 0.528 470 G N 0.561 109.179 108.800 -0.302 0.000 2.440 470 G HA2 -0.263 3.700 3.960 0.005 0.000 0.218 470 G HA3 -0.263 3.700 3.960 0.005 0.000 0.218 470 G C 1.934 176.619 174.900 -0.358 0.000 1.154 470 G CA 1.310 46.218 45.100 -0.320 0.000 0.767 470 G HN 0.509 nan 8.290 nan 0.000 0.552 471 A N -0.141 122.363 122.820 -0.526 0.000 2.014 471 A HA 0.106 4.429 4.320 0.005 0.000 0.218 471 A C 2.273 179.459 177.584 -0.664 0.000 1.163 471 A CA 1.436 53.056 52.037 -0.694 0.000 0.652 471 A CB -0.222 18.323 19.000 -0.759 0.000 0.808 471 A HN 0.287 nan 8.150 nan 0.000 0.449 472 R N -0.819 119.279 120.500 -0.670 0.000 2.317 472 R HA 0.051 4.394 4.340 0.005 0.000 0.208 472 R C 1.167 177.222 176.300 -0.407 0.000 0.914 472 R CA 1.048 56.771 56.100 -0.629 0.000 1.060 472 R CB -0.217 29.575 30.300 -0.847 0.000 1.015 472 R HN 0.446 nan 8.270 nan 0.000 0.498 473 T N 0.933 115.322 114.554 -0.276 0.000 2.837 473 T HA 0.093 4.446 4.350 0.005 0.000 0.248 473 T C 1.814 176.469 174.700 -0.076 0.000 1.033 473 T CA 0.656 62.653 62.100 -0.171 0.000 1.150 473 T CB 0.061 68.849 68.868 -0.133 0.000 0.865 473 T HN 0.114 nan 8.240 nan 0.000 0.425 474 L N -0.127 121.107 121.223 0.019 0.000 2.093 474 L HA 0.114 4.457 4.340 0.005 0.000 0.208 474 L C 1.329 178.399 176.870 0.333 0.000 1.085 474 L CA 1.348 56.309 54.840 0.202 0.000 0.755 474 L CB -0.398 41.880 42.059 0.365 0.000 0.904 474 L HN 0.288 nan 8.230 nan 0.000 0.435 475 F N 0.082 119.944 119.950 -0.146 0.000 2.730 475 F HA 0.124 4.655 4.527 0.005 0.000 0.295 475 F C 1.731 177.481 175.800 -0.084 0.000 1.143 475 F CA -0.784 57.158 58.000 -0.097 0.000 1.367 475 F CB -0.043 38.905 39.000 -0.086 0.000 0.970 475 F HN 0.071 nan 8.300 nan 0.000 0.514 476 R N -0.453 120.063 120.500 0.025 0.000 2.355 476 R HA -0.149 4.194 4.340 0.005 0.000 0.219 476 R C 0.707 177.050 176.300 0.071 0.000 1.107 476 R CA 1.520 57.580 56.100 -0.067 0.000 1.021 476 R CB -0.804 29.426 30.300 -0.116 0.000 0.852 476 R HN 0.192 nan 8.270 nan 0.000 0.475 477 D N 0.734 121.175 120.400 0.068 0.000 2.146 477 D HA -0.055 4.588 4.640 0.005 0.000 0.209 477 D C 1.976 178.333 176.300 0.094 0.000 0.973 477 D CA 1.374 55.406 54.000 0.053 0.000 0.860 477 D CB -0.365 40.426 40.800 -0.015 0.000 1.015 477 D HN 0.169 nan 8.370 nan 0.000 0.465 478 V N 1.313 121.289 119.914 0.103 0.000 2.809 478 V HA -0.160 3.963 4.120 0.005 0.000 0.256 478 V C 2.187 178.386 176.094 0.176 0.000 1.080 478 V CA 0.688 63.057 62.300 0.115 0.000 1.102 478 V CB -0.957 30.937 31.823 0.118 0.000 0.705 478 V HN 0.057 nan 8.190 nan 0.000 0.475 479 F N 1.619 121.591 119.950 0.037 0.000 2.064 479 F HA -0.402 4.128 4.527 0.005 0.000 0.293 479 F C 2.550 178.364 175.800 0.023 0.000 1.086 479 F CA 2.307 60.319 58.000 0.019 0.000 1.242 479 F CB -0.069 38.934 39.000 0.005 0.000 0.970 479 F HN 0.180 nan 8.300 nan 0.000 0.494 480 S N -0.790 114.931 115.700 0.035 0.000 2.335 480 S HA 0.110 4.583 4.470 0.005 0.000 0.216 480 S C 0.855 175.413 174.600 -0.070 0.000 1.032 480 S CA 0.962 59.115 58.200 -0.080 0.000 1.000 480 S CB -0.598 62.603 63.200 0.003 0.000 0.928 480 S HN 0.632 nan 8.310 nan 0.000 0.434 481 G N -0.277 108.515 108.800 -0.013 0.000 2.721 481 G HA2 0.502 4.465 3.960 0.005 0.000 0.296 481 G HA3 0.502 4.465 3.960 0.005 0.000 0.296 481 G C 0.206 175.114 174.900 0.013 0.000 1.383 481 G CA -0.442 44.653 45.100 -0.008 0.000 0.788 481 G HN 0.260 nan 8.290 nan 0.000 0.500 482 I N -2.746 117.831 120.570 0.012 0.000 3.226 482 I HA 0.319 4.492 4.170 0.005 0.000 0.277 482 I C 0.385 176.509 176.117 0.011 0.000 1.243 482 I CA 0.650 61.961 61.300 0.017 0.000 1.459 482 I CB 0.313 38.323 38.000 0.017 0.000 1.093 482 I HN 0.510 nan 8.210 nan 0.000 0.453 483 D N 0.877 121.281 120.400 0.007 0.000 3.554 483 D HA -0.087 4.556 4.640 0.005 0.000 0.216 483 D C -1.599 174.703 176.300 0.002 0.000 1.171 483 D CA 0.140 54.142 54.000 0.004 0.000 0.783 483 D CB -0.537 40.263 40.800 0.001 0.000 0.558 483 D HN 0.081 nan 8.370 nan 0.000 0.257 484 P HA -0.235 nan 4.420 nan 0.000 0.223 484 P C 0.404 177.704 177.300 0.001 0.000 1.153 484 P CA 2.011 65.112 63.100 0.002 0.000 0.853 484 P CB 0.081 31.782 31.700 0.001 0.000 0.777 485 E N 0.485 120.686 120.200 0.001 0.000 2.373 485 E HA 0.312 4.665 4.350 0.005 0.000 0.267 485 E C -0.050 176.551 176.600 0.001 0.000 1.032 485 E CA -0.394 56.006 56.400 -0.000 0.000 0.889 485 E CB 0.075 29.774 29.700 -0.002 0.000 0.984 485 E HN 0.194 nan 8.360 nan 0.000 0.425 486 L N -0.006 121.218 121.223 0.001 0.000 2.510 486 L HA 0.728 5.071 4.340 0.005 0.000 0.252 486 L C 0.293 177.164 176.870 0.001 0.000 1.091 486 L CA -0.918 53.923 54.840 0.002 0.000 0.888 486 L CB 1.250 43.311 42.059 0.003 0.000 1.507 486 L HN 0.616 nan 8.230 nan 0.000 0.407 487 S N -1.859 113.842 115.700 0.002 0.000 2.000 487 S HA -0.104 4.369 4.470 0.005 0.000 0.243 487 S C -2.013 172.587 174.600 0.001 0.000 1.092 487 S CA 0.949 59.150 58.200 0.002 0.000 1.426 487 S CB -2.235 60.966 63.200 0.002 0.000 1.779 487 S HN 0.928 nan 8.310 nan 0.000 0.565 488 P HA 0.594 nan 4.420 nan 0.000 0.292 488 P C -0.197 177.102 177.300 -0.001 0.000 1.326 488 P CA 0.683 63.783 63.100 -0.001 0.000 0.787 488 P CB 0.950 32.648 31.700 -0.003 0.000 0.903 489 E N 0.000 120.200 120.200 0.000 0.000 2.725 489 E HA 0.000 4.353 4.350 0.005 0.000 0.291 489 E CA 0.000 56.401 56.400 0.001 0.000 0.976 489 E CB 0.000 29.701 29.700 0.001 0.000 0.812 489 E HN 0.000 nan 8.360 nan 0.000 0.440