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 2gyv_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.614 176.600 0.023 0.000 1.382 1 E CA 0.000 56.418 56.400 0.031 0.000 0.976 1 E CB 0.000 29.721 29.700 0.034 0.000 0.812 2 G N 3.716 112.529 108.800 0.021 0.000 4.399 2 G HA2 -0.127 3.839 3.960 0.010 0.000 0.158 2 G HA3 -0.127 3.839 3.960 0.010 0.000 0.158 2 G C 0.643 175.553 174.900 0.016 0.000 1.911 2 G CA -0.049 45.060 45.100 0.016 0.000 0.926 2 G HN 0.341 nan 8.290 nan 0.000 0.292 3 R N 1.159 121.669 120.500 0.016 0.000 2.334 3 R HA 0.461 4.807 4.340 0.010 0.000 0.212 3 R C 0.634 176.946 176.300 0.019 0.000 0.897 3 R CA -0.053 56.057 56.100 0.015 0.000 1.056 3 R CB 0.119 30.425 30.300 0.011 0.000 1.046 3 R HN 0.482 nan 8.270 nan 0.000 0.513 4 E N 1.100 121.314 120.200 0.023 0.000 2.436 4 E HA -0.073 4.283 4.350 0.010 0.000 0.262 4 E C -0.453 176.170 176.600 0.038 0.000 1.063 4 E CA 0.211 56.628 56.400 0.029 0.000 0.944 4 E CB 0.406 30.128 29.700 0.037 0.000 0.950 4 E HN -0.009 nan 8.360 nan 0.000 0.444 5 D N 4.022 124.451 120.400 0.049 0.000 2.358 5 D HA 0.014 4.660 4.640 0.010 0.000 0.258 5 D C -1.691 174.652 176.300 0.073 0.000 1.223 5 D CA -1.883 52.160 54.000 0.072 0.000 0.886 5 D CB 1.024 41.889 40.800 0.108 0.000 1.120 5 D HN 0.160 nan 8.370 nan 0.000 0.482 6 P HA -0.187 nan 4.420 nan 0.000 0.218 6 P C 1.024 178.341 177.300 0.029 0.000 1.146 6 P CA 0.883 64.002 63.100 0.033 0.000 0.813 6 P CB 0.405 32.113 31.700 0.013 0.000 0.778 7 Q N -0.853 118.955 119.800 0.014 0.000 2.435 7 Q HA 0.088 4.434 4.340 0.010 0.000 0.207 7 Q C 1.879 177.953 176.000 0.122 0.000 0.956 7 Q CA 0.643 56.424 55.803 -0.037 0.000 0.917 7 Q CB -0.210 28.315 28.738 -0.356 0.000 0.997 7 Q HN 0.407 nan 8.270 nan 0.000 0.497 8 L N -0.230 121.086 121.223 0.155 0.000 2.640 8 L HA 0.220 4.566 4.340 0.010 0.000 0.230 8 L C 0.124 177.184 176.870 0.317 0.000 1.123 8 L CA -0.045 54.904 54.840 0.181 0.000 0.900 8 L CB 0.350 42.438 42.059 0.050 0.000 1.146 8 L HN -0.054 nan 8.230 nan 0.000 0.484 9 L N 0.827 122.186 121.223 0.227 0.000 2.272 9 L HA 0.518 4.864 4.340 0.010 0.000 0.289 9 L C -0.666 176.266 176.870 0.103 0.000 1.032 9 L CA -0.365 54.586 54.840 0.184 0.000 0.810 9 L CB 1.779 43.898 42.059 0.099 0.000 1.205 9 L HN -0.237 nan 8.230 nan 0.000 0.422 10 V N 3.489 123.432 119.914 0.049 0.000 2.888 10 V HA 0.458 4.583 4.120 0.010 0.000 0.309 10 V C -0.470 175.534 176.094 -0.149 0.000 1.114 10 V CA -0.729 61.433 62.300 -0.231 0.000 0.940 10 V CB 2.824 34.181 31.823 -0.776 0.000 1.021 10 V HN 0.735 nan 8.190 nan 0.000 0.426 11 R N 3.008 123.399 120.500 -0.181 0.000 2.294 11 R HA 0.775 5.120 4.340 0.010 0.000 0.319 11 R C -0.660 175.554 176.300 -0.143 0.000 0.984 11 R CA -0.303 55.738 56.100 -0.098 0.000 0.861 11 R CB 1.622 31.864 30.300 -0.096 0.000 1.104 11 R HN 0.681 nan 8.270 nan 0.000 0.451 12 V N 2.042 121.947 119.914 -0.015 0.000 3.234 12 V HA 0.489 4.615 4.120 0.010 0.000 0.317 12 V C 1.205 177.237 176.094 -0.104 0.000 1.147 12 V CA -0.916 61.369 62.300 -0.025 0.000 1.037 12 V CB 1.538 33.523 31.823 0.271 0.000 1.148 12 V HN 0.868 nan 8.190 nan 0.000 0.455 13 R N 1.146 121.562 120.500 -0.140 0.000 2.127 13 R HA 0.015 4.361 4.340 0.010 0.000 0.238 13 R C 1.719 177.885 176.300 -0.224 0.000 1.134 13 R CA 2.276 58.283 56.100 -0.155 0.000 0.975 13 R CB -1.104 29.119 30.300 -0.128 0.000 0.865 13 R HN 1.014 nan 8.270 nan 0.000 0.447 14 G N -1.757 106.867 108.800 -0.293 0.000 2.985 14 G HA2 0.414 4.380 3.960 0.010 0.000 0.209 14 G HA3 0.414 4.380 3.960 0.010 0.000 0.209 14 G C 0.288 174.120 174.900 -1.780 0.000 1.165 14 G CA 0.250 44.866 45.100 -0.806 0.000 0.776 14 G HN 0.722 nan 8.290 nan 0.000 0.541 15 G N -1.000 107.163 108.800 -1.063 0.000 2.325 15 G HA2 0.087 4.053 3.960 0.010 0.000 0.285 15 G HA3 0.087 4.053 3.960 0.010 0.000 0.285 15 G C -1.133 173.739 174.900 -0.047 0.000 1.303 15 G CA -0.982 43.625 45.100 -0.823 0.000 0.970 15 G HN 0.274 nan 8.290 nan 0.000 0.490 16 Q N -0.471 119.456 119.800 0.211 0.000 2.259 16 Q HA 0.669 5.015 4.340 0.010 0.000 0.249 16 Q C -0.444 175.859 176.000 0.505 0.000 0.914 16 Q CA -0.123 55.858 55.803 0.297 0.000 0.904 16 Q CB 1.518 30.370 28.738 0.190 0.000 1.213 16 Q HN 0.441 nan 8.270 nan 0.000 0.428 17 L N 1.888 123.327 121.223 0.361 0.000 2.386 17 L HA 0.579 4.925 4.340 0.010 0.000 0.271 17 L C -0.448 176.629 176.870 0.345 0.000 0.993 17 L CA -0.725 54.337 54.840 0.369 0.000 0.819 17 L CB 2.056 44.379 42.059 0.441 0.000 1.294 17 L HN 0.458 nan 8.230 nan 0.000 0.414 18 R N 1.478 122.142 120.500 0.272 0.000 2.288 18 R HA 0.620 4.965 4.340 0.010 0.000 0.326 18 R C -0.120 176.263 176.300 0.137 0.000 0.959 18 R CA -0.300 55.924 56.100 0.207 0.000 0.834 18 R CB 1.363 31.723 30.300 0.100 0.000 1.157 18 R HN 0.818 nan 8.270 nan 0.000 0.470 19 G N 3.449 112.251 108.800 0.003 0.000 2.531 19 G HA2 0.421 4.387 3.960 0.010 0.000 0.281 19 G HA3 0.421 4.387 3.960 0.010 0.000 0.281 19 G C -0.865 173.788 174.900 -0.411 0.000 1.382 19 G CA -0.710 44.042 45.100 -0.579 0.000 1.045 19 G HN 0.606 nan 8.290 nan 0.000 0.533 20 I N -1.207 119.077 120.570 -0.476 0.000 2.769 20 I HA 0.491 4.667 4.170 0.010 0.000 0.298 20 I C -0.216 175.751 176.117 -0.251 0.000 1.128 20 I CA -1.127 60.004 61.300 -0.283 0.000 1.031 20 I CB 2.239 40.089 38.000 -0.250 0.000 1.235 20 I HN 0.390 nan 8.210 nan 0.000 0.423 21 R N 7.495 127.883 120.500 -0.187 0.000 2.248 21 R HA 0.435 4.781 4.340 0.010 0.000 0.337 21 R C -1.337 174.835 176.300 -0.214 0.000 1.085 21 R CA -0.354 55.600 56.100 -0.243 0.000 0.934 21 R CB 0.223 30.314 30.300 -0.348 0.000 1.034 21 R HN 0.601 nan 8.270 nan 0.000 0.465 22 L N 3.526 124.652 121.223 -0.161 0.000 2.357 22 L HA 0.344 4.690 4.340 0.010 0.000 0.273 22 L C 0.607 177.398 176.870 -0.131 0.000 1.080 22 L CA -0.583 54.188 54.840 -0.114 0.000 0.803 22 L CB 1.235 43.275 42.059 -0.032 0.000 1.174 22 L HN 0.361 nan 8.230 nan 0.000 0.443 23 K N 2.177 122.509 120.400 -0.113 0.000 2.276 23 K HA 0.542 4.868 4.320 0.010 0.000 0.285 23 K C -0.689 175.847 176.600 -0.106 0.000 1.062 23 K CA -0.167 56.058 56.287 -0.102 0.000 0.918 23 K CB 1.355 33.809 32.500 -0.076 0.000 1.055 23 K HN 0.730 nan 8.250 nan 0.000 0.477 24 A N 5.299 128.058 122.820 -0.102 0.000 2.322 24 A HA 0.532 4.858 4.320 0.010 0.000 0.327 24 A C -2.043 175.537 177.584 -0.006 0.000 1.134 24 A CA -1.579 50.388 52.037 -0.116 0.000 0.831 24 A CB 0.879 19.772 19.000 -0.178 0.000 1.288 24 A HN 0.442 nan 8.150 nan 0.000 0.472 25 P HA -0.114 nan 4.420 nan 0.000 0.216 25 P C 1.372 178.701 177.300 0.048 0.000 1.153 25 P CA 2.157 65.307 63.100 0.084 0.000 0.858 25 P CB 0.182 31.961 31.700 0.132 0.000 0.789 26 G N -2.291 106.540 108.800 0.052 0.000 2.880 26 G HA2 0.410 4.376 3.960 0.010 0.000 0.209 26 G HA3 0.410 4.376 3.960 0.010 0.000 0.209 26 G C 0.611 175.526 174.900 0.026 0.000 1.157 26 G CA 0.546 45.669 45.100 0.037 0.000 0.779 26 G HN 0.625 nan 8.290 nan 0.000 0.539 27 G N -0.574 108.233 108.800 0.011 0.000 2.340 27 G HA2 0.289 4.255 3.960 0.010 0.000 0.282 27 G HA3 0.289 4.255 3.960 0.010 0.000 0.282 27 G C -3.305 171.576 174.900 -0.031 0.000 1.312 27 G CA -0.619 44.478 45.100 -0.004 0.000 0.942 27 G HN 0.059 nan 8.290 nan 0.000 0.495 28 P HA 0.491 nan 4.420 nan 0.000 0.275 28 P C 0.088 177.377 177.300 -0.018 0.000 1.228 28 P CA -0.091 62.911 63.100 -0.163 0.000 0.786 28 P CB 1.443 32.867 31.700 -0.461 0.000 0.927 29 V N -1.010 118.894 119.914 -0.016 0.000 3.001 29 V HA 0.656 4.782 4.120 0.010 0.000 0.314 29 V C -0.237 175.949 176.094 0.154 0.000 1.099 29 V CA -0.940 61.443 62.300 0.139 0.000 0.989 29 V CB 1.804 33.715 31.823 0.147 0.000 1.040 29 V HN 0.401 nan 8.190 nan 0.000 0.434 30 S N 1.752 117.613 115.700 0.268 0.000 2.457 30 S HA 0.816 5.292 4.470 0.010 0.000 0.289 30 S C 0.031 174.624 174.600 -0.013 0.000 1.163 30 S CA -0.021 58.273 58.200 0.156 0.000 1.078 30 S CB 1.107 64.501 63.200 0.324 0.000 0.987 30 S HN 1.482 nan 8.310 nan 0.000 0.482 31 A N 3.115 125.739 122.820 -0.327 0.000 2.330 31 A HA 0.774 5.099 4.320 0.010 0.000 0.313 31 A C -1.062 176.098 177.584 -0.708 0.000 1.124 31 A CA -0.622 51.091 52.037 -0.540 0.000 0.774 31 A CB 0.297 18.934 19.000 -0.604 0.000 1.198 31 A HN 0.687 nan 8.150 nan 0.000 0.465 32 F N 3.130 122.889 119.950 -0.318 0.000 2.325 32 F HA 0.466 4.998 4.527 0.009 0.000 0.369 32 F C -0.065 175.513 175.800 -0.371 0.000 1.095 32 F CA -0.298 57.586 58.000 -0.194 0.000 1.082 32 F CB 1.050 40.094 39.000 0.074 0.000 1.289 32 F HN 0.343 nan 8.300 nan 0.000 0.462 33 L N 2.043 123.071 121.223 -0.325 0.000 2.331 33 L HA 0.678 5.024 4.340 0.010 0.000 0.275 33 L C 0.986 177.719 176.870 -0.229 0.000 1.022 33 L CA -1.012 53.562 54.840 -0.443 0.000 0.812 33 L CB 1.680 43.221 42.059 -0.863 0.000 1.257 33 L HN 0.809 nan 8.230 nan 0.000 0.435 34 G N 2.824 111.565 108.800 -0.099 0.000 2.221 34 G HA2 -0.267 3.699 3.960 0.010 0.000 0.265 34 G HA3 -0.267 3.699 3.960 0.010 0.000 0.265 34 G C -0.033 174.907 174.900 0.067 0.000 1.041 34 G CA -0.252 44.815 45.100 -0.055 0.000 0.807 34 G HN 0.487 nan 8.290 nan 0.000 0.502 35 I N 2.295 122.898 120.570 0.056 0.000 2.436 35 I HA 0.201 4.377 4.170 0.010 0.000 0.289 35 I C -1.374 174.781 176.117 0.064 0.000 1.083 35 I CA -1.956 59.356 61.300 0.021 0.000 1.372 35 I CB 0.794 38.750 38.000 -0.073 0.000 1.408 35 I HN -0.020 nan 8.210 nan 0.000 0.516 36 P HA 0.017 nan 4.420 nan 0.000 0.271 36 P C -0.224 177.003 177.300 -0.122 0.000 1.216 36 P CA 0.078 62.989 63.100 -0.315 0.000 0.771 36 P CB 0.534 32.059 31.700 -0.291 0.000 0.864 37 F N 0.785 120.580 119.950 -0.259 0.000 2.746 37 F HA 0.711 5.244 4.527 0.010 0.000 0.320 37 F C 0.063 175.867 175.800 0.007 0.000 1.097 37 F CA -0.730 57.210 58.000 -0.100 0.000 1.195 37 F CB 0.158 38.994 39.000 -0.273 0.000 1.056 37 F HN 0.314 nan 8.300 nan 0.000 0.562 38 A N 0.179 122.660 122.820 -0.564 0.000 2.515 38 A HA 0.622 4.948 4.320 0.010 0.000 0.296 38 A C -0.777 176.632 177.584 -0.292 0.000 1.094 38 A CA -0.721 51.108 52.037 -0.346 0.000 0.718 38 A CB 1.009 19.722 19.000 -0.478 0.000 1.307 38 A HN 0.043 nan 8.150 nan 0.000 0.408 39 E N 1.283 121.402 120.200 -0.136 0.000 2.414 39 E HA 0.207 4.562 4.350 0.010 0.000 0.263 39 E C -2.319 174.186 176.600 -0.158 0.000 1.000 39 E CA -1.381 54.958 56.400 -0.102 0.000 0.914 39 E CB 0.012 29.691 29.700 -0.035 0.000 0.948 39 E HN 0.233 nan 8.360 nan 0.000 0.444 40 P HA 0.018 nan 4.420 nan 0.000 0.262 40 P C -2.247 174.992 177.300 -0.101 0.000 1.199 40 P CA -0.859 62.159 63.100 -0.136 0.000 0.763 40 P CB -0.004 31.656 31.700 -0.067 0.000 0.790 41 P HA 0.003 nan 4.420 nan 0.000 0.226 41 P C -0.254 176.993 177.300 -0.088 0.000 1.783 41 P CA 0.132 63.180 63.100 -0.086 0.000 0.980 41 P CB -0.154 31.497 31.700 -0.082 0.000 1.967 42 V N -2.609 117.261 119.914 -0.074 0.000 3.096 42 V HA 0.896 5.022 4.120 0.010 0.000 0.319 42 V C 1.032 177.089 176.094 -0.061 0.000 1.103 42 V CA 0.060 62.316 62.300 -0.073 0.000 1.016 42 V CB 0.748 32.538 31.823 -0.054 0.000 1.090 42 V HN 0.537 nan 8.190 nan 0.000 0.449 43 G N 2.173 110.938 108.800 -0.059 0.000 2.622 43 G HA2 -0.360 3.606 3.960 0.010 0.000 0.307 43 G HA3 -0.360 3.606 3.960 0.010 0.000 0.307 43 G C 1.266 176.142 174.900 -0.040 0.000 1.226 43 G CA 1.882 46.959 45.100 -0.039 0.000 0.997 43 G HN 2.397 nan 8.290 nan 0.000 0.551 44 S N 0.480 116.171 115.700 -0.016 0.000 2.500 44 S HA 0.015 4.491 4.470 0.010 0.000 0.239 44 S C 1.867 176.465 174.600 -0.003 0.000 0.989 44 S CA 1.644 59.845 58.200 0.001 0.000 0.951 44 S CB -0.088 63.119 63.200 0.012 0.000 0.759 44 S HN 0.672 nan 8.310 nan 0.000 0.523 45 R N 0.773 121.257 120.500 -0.028 0.000 2.317 45 R HA 0.237 4.583 4.340 0.010 0.000 0.208 45 R C 0.821 177.081 176.300 -0.067 0.000 0.914 45 R CA -0.190 55.893 56.100 -0.028 0.000 1.060 45 R CB -0.050 30.232 30.300 -0.030 0.000 1.015 45 R HN 0.444 nan 8.270 nan 0.000 0.498 46 R N 0.843 121.254 120.500 -0.148 0.000 2.537 46 R HA -0.074 4.272 4.340 0.010 0.000 0.280 46 R C -0.249 175.820 176.300 -0.385 0.000 1.058 46 R CA 0.405 56.282 56.100 -0.372 0.000 1.057 46 R CB 0.152 30.095 30.300 -0.595 0.000 0.973 46 R HN 0.065 nan 8.270 nan 0.000 0.438 47 F N -0.605 119.360 119.950 0.025 0.000 2.748 47 F HA -0.299 4.234 4.527 0.009 0.000 0.370 47 F C 0.138 175.933 175.800 -0.009 0.000 0.620 47 F CA 0.536 58.527 58.000 -0.015 0.000 1.233 47 F CB -1.449 37.529 39.000 -0.037 0.000 1.708 47 F HN 0.456 nan 8.300 nan 0.000 0.298 48 M N 2.218 121.885 119.600 0.112 0.000 2.274 48 M HA 0.333 4.819 4.480 0.010 0.000 0.344 48 M C -1.815 174.520 176.300 0.058 0.000 1.161 48 M CA -1.532 53.817 55.300 0.082 0.000 1.126 48 M CB 0.373 33.005 32.600 0.054 0.000 1.522 48 M HN -0.316 nan 8.290 nan 0.000 0.461 49 P HA 0.057 nan 4.420 nan 0.000 0.267 49 P C -2.518 174.817 177.300 0.058 0.000 1.195 49 P CA -0.618 62.523 63.100 0.068 0.000 0.773 49 P CB -0.893 30.858 31.700 0.084 0.000 0.837 50 P HA 0.158 nan 4.420 nan 0.000 0.271 50 P C -0.384 176.954 177.300 0.063 0.000 1.216 50 P CA 0.255 63.386 63.100 0.051 0.000 0.771 50 P CB 0.788 32.544 31.700 0.094 0.000 0.864 51 E N 4.006 124.226 120.200 0.033 0.000 2.197 51 E HA 0.310 4.666 4.350 0.010 0.000 0.281 51 E C -2.175 174.458 176.600 0.055 0.000 0.995 51 E CA -2.293 54.135 56.400 0.048 0.000 0.808 51 E CB 0.534 30.253 29.700 0.033 0.000 1.093 51 E HN 0.344 nan 8.360 nan 0.000 0.394 52 P HA -0.105 nan 4.420 nan 0.000 0.265 52 P C -0.796 176.571 177.300 0.112 0.000 1.187 52 P CA 0.045 63.227 63.100 0.137 0.000 0.766 52 P CB 0.414 32.200 31.700 0.143 0.000 0.820 53 K N 3.539 124.028 120.400 0.147 0.000 2.451 53 K HA 0.042 4.367 4.320 0.010 0.000 0.280 53 K C -0.087 176.623 176.600 0.182 0.000 1.020 53 K CA 0.351 56.728 56.287 0.151 0.000 1.008 53 K CB 0.172 32.806 32.500 0.223 0.000 0.917 53 K HN 0.212 nan 8.250 nan 0.000 0.478 54 R N 5.011 125.602 120.500 0.152 0.000 2.490 54 R HA 0.226 4.572 4.340 0.010 0.000 0.280 54 R C -2.114 174.278 176.300 0.153 0.000 1.077 54 R CA -1.520 54.652 56.100 0.119 0.000 1.065 54 R CB 0.399 30.755 30.300 0.094 0.000 1.003 54 R HN 0.586 nan 8.270 nan 0.000 0.470 55 P HA -0.075 nan 4.420 nan 0.000 0.267 55 P C -1.216 176.084 177.300 0.000 0.000 1.201 55 P CA 0.160 63.148 63.100 -0.185 0.000 0.775 55 P CB 0.319 31.883 31.700 -0.227 0.000 0.854 56 W N 0.691 122.028 121.300 0.062 0.000 2.671 56 W HA 0.707 5.373 4.660 0.009 0.000 0.360 56 W C -0.623 175.924 176.519 0.047 0.000 1.128 56 W CA -0.947 56.431 57.345 0.054 0.000 1.184 56 W CB -0.017 29.483 29.460 0.067 0.000 1.415 56 W HN 0.349 nan 8.180 nan 0.000 0.604 57 S N 0.993 116.859 115.700 0.278 0.000 2.593 57 S HA 0.837 5.313 4.470 0.010 0.000 0.297 57 S C 0.315 175.071 174.600 0.259 0.000 1.112 57 S CA -0.044 58.254 58.200 0.163 0.000 1.043 57 S CB 0.952 64.215 63.200 0.105 0.000 1.054 57 S HN 2.112 nan 8.310 nan 0.000 0.516 58 G N 0.370 109.280 108.800 0.182 0.000 2.750 58 G HA2 -0.134 3.832 3.960 0.010 0.000 0.228 58 G HA3 -0.134 3.832 3.960 0.010 0.000 0.228 58 G C -0.711 174.358 174.900 0.282 0.000 1.367 58 G CA -0.402 44.807 45.100 0.181 0.000 0.871 58 G HN 1.656 nan 8.290 nan 0.000 0.560 59 V N 0.847 120.884 119.914 0.204 0.000 2.364 59 V HA 0.486 4.612 4.120 0.010 0.000 0.272 59 V C 0.990 177.179 176.094 0.158 0.000 1.036 59 V CA -0.251 62.179 62.300 0.217 0.000 0.880 59 V CB 1.172 33.079 31.823 0.141 0.000 0.991 59 V HN 0.795 nan 8.190 nan 0.000 0.460 60 L N 4.888 126.206 121.223 0.158 0.000 2.418 60 L HA 0.263 4.609 4.340 0.010 0.000 0.274 60 L C 0.666 177.512 176.870 -0.040 0.000 1.135 60 L CA 0.020 54.776 54.840 -0.139 0.000 0.870 60 L CB 0.537 42.204 42.059 -0.653 0.000 1.154 60 L HN 0.705 nan 8.230 nan 0.000 0.462 61 D N 5.018 125.379 120.400 -0.065 0.000 2.401 61 D HA 0.085 4.731 4.640 0.010 0.000 0.254 61 D C -0.188 176.066 176.300 -0.078 0.000 1.192 61 D CA 0.196 54.166 54.000 -0.051 0.000 0.885 61 D CB 1.533 42.292 40.800 -0.068 0.000 1.147 61 D HN 0.651 nan 8.370 nan 0.000 0.478 62 A N 3.147 125.944 122.820 -0.037 0.000 2.855 62 A HA 0.204 4.530 4.320 0.010 0.000 0.301 62 A C 1.029 178.513 177.584 -0.167 0.000 1.076 62 A CA -0.277 51.728 52.037 -0.054 0.000 1.004 62 A CB -0.149 18.930 19.000 0.131 0.000 1.152 62 A HN 0.576 nan 8.150 nan 0.000 0.531 63 T N -3.170 111.268 114.554 -0.193 0.000 3.023 63 T HA 0.257 4.613 4.350 0.010 0.000 0.253 63 T C 0.713 175.237 174.700 -0.293 0.000 1.038 63 T CA 0.784 62.739 62.100 -0.241 0.000 0.962 63 T CB -0.216 68.549 68.868 -0.172 0.000 1.018 63 T HN 0.692 nan 8.240 nan 0.000 0.521 64 T N -0.593 113.782 114.554 -0.298 0.000 2.903 64 T HA 0.691 5.047 4.350 0.010 0.000 0.299 64 T C -0.885 173.620 174.700 -0.325 0.000 1.093 64 T CA -0.914 61.005 62.100 -0.301 0.000 1.002 64 T CB 1.106 69.873 68.868 -0.168 0.000 1.127 64 T HN -0.013 nan 8.240 nan 0.000 0.488 65 F N 2.163 122.040 119.950 -0.122 0.000 2.518 65 F HA 0.324 4.857 4.527 0.010 0.000 0.359 65 F C 1.507 177.199 175.800 -0.181 0.000 1.118 65 F CA -0.156 57.772 58.000 -0.121 0.000 1.287 65 F CB 0.568 39.527 39.000 -0.069 0.000 1.132 65 F HN 0.496 nan 8.300 nan 0.000 0.587 66 Q N 1.543 121.338 119.800 -0.008 0.000 2.272 66 Q HA 0.161 4.507 4.340 0.010 0.000 0.192 66 Q C -0.090 175.819 176.000 -0.152 0.000 1.059 66 Q CA -0.621 55.015 55.803 -0.277 0.000 1.084 66 Q CB 0.447 28.717 28.738 -0.778 0.000 1.139 66 Q HN 0.517 nan 8.270 nan 0.000 0.593 67 N N -0.204 118.364 118.700 -0.220 0.000 2.374 67 N HA 0.004 4.750 4.740 0.010 0.000 0.241 67 N C -0.573 174.900 175.510 -0.062 0.000 1.262 67 N CA 0.153 53.132 53.050 -0.119 0.000 0.880 67 N CB 0.376 38.806 38.487 -0.095 0.000 1.105 67 N HN 0.167 nan 8.380 nan 0.000 0.438 68 V N 1.721 121.569 119.914 -0.109 0.000 2.509 68 V HA 0.113 4.238 4.120 0.010 0.000 0.284 68 V C 0.613 176.628 176.094 -0.131 0.000 1.047 68 V CA -0.846 61.377 62.300 -0.128 0.000 0.952 68 V CB 1.105 32.814 31.823 -0.190 0.000 0.988 68 V HN 0.710 nan 8.190 nan 0.000 0.469 69 c N 4.025 122.572 118.600 -0.089 0.000 2.679 69 c HA 0.117 4.693 4.570 0.010 0.000 0.417 69 c C 0.502 174.519 174.090 -0.122 0.000 1.302 69 c CA -0.601 55.681 56.329 -0.078 0.000 1.973 69 c CB -0.966 41.537 42.510 -0.013 0.000 2.715 69 c HN 0.742 nan 8.230 nan 0.000 0.628 70 Y N 3.447 123.571 120.300 -0.294 0.000 2.717 70 Y HA 0.223 4.779 4.550 0.010 0.000 0.330 70 Y C 0.901 176.791 175.900 -0.016 0.000 1.217 70 Y CA 1.048 58.966 58.100 -0.304 0.000 1.506 70 Y CB 0.184 38.172 38.460 -0.786 0.000 1.268 70 Y HN 0.716 nan 8.280 nan 0.000 0.561 71 Q N 3.987 123.885 119.800 0.163 0.000 2.522 71 Q HA 0.200 4.546 4.340 0.010 0.000 0.285 71 Q C -1.821 174.351 176.000 0.286 0.000 0.982 71 Q CA -1.240 54.747 55.803 0.306 0.000 0.805 71 Q CB 1.304 30.139 28.738 0.162 0.000 1.457 71 Q HN 0.672 nan 8.270 nan 0.000 0.394 72 Y N 1.284 121.747 120.300 0.271 0.000 2.620 72 Y HA 0.318 4.874 4.550 0.009 0.000 0.330 72 Y C -0.993 174.979 175.900 0.119 0.000 1.186 72 Y CA 0.133 58.336 58.100 0.171 0.000 1.467 72 Y CB 0.839 39.365 38.460 0.109 0.000 1.262 72 Y HN 0.428 nan 8.280 nan 0.000 0.550 73 V N 7.236 126.753 119.914 -0.662 0.000 2.328 73 V HA 0.068 4.194 4.120 0.010 0.000 0.278 73 V C -0.253 175.355 176.094 -0.810 0.000 1.021 73 V CA -0.998 60.991 62.300 -0.519 0.000 0.838 73 V CB 1.006 32.650 31.823 -0.298 0.000 0.999 73 V HN 0.763 nan 8.190 nan 0.000 0.447 74 D N 4.247 124.382 120.400 -0.442 0.000 2.502 74 D HA -0.021 4.624 4.640 0.010 0.000 0.249 74 D C 1.019 177.291 176.300 -0.047 0.000 1.188 74 D CA 0.635 54.558 54.000 -0.128 0.000 0.890 74 D CB 1.099 42.008 40.800 0.182 0.000 1.140 74 D HN 0.762 nan 8.370 nan 0.000 0.505 75 T N 1.449 115.993 114.554 -0.018 0.000 3.288 75 T HA 0.067 4.423 4.350 0.010 0.000 0.293 75 T C 1.513 176.231 174.700 0.031 0.000 1.008 75 T CA -0.556 61.550 62.100 0.010 0.000 0.929 75 T CB 0.001 68.850 68.868 -0.033 0.000 1.152 75 T HN 0.208 nan 8.240 nan 0.000 0.517 76 L N 1.024 122.287 121.223 0.067 0.000 1.970 76 L HA 0.181 4.526 4.340 0.010 0.000 0.212 76 L C -0.195 176.457 176.870 -0.362 0.000 1.071 76 L CA 1.648 56.388 54.840 -0.166 0.000 0.751 76 L CB -0.433 41.498 42.059 -0.214 0.000 0.889 76 L HN 0.446 nan 8.230 nan 0.000 0.432 77 Y N 0.110 120.469 120.300 0.099 0.000 2.712 77 Y HA 0.425 4.980 4.550 0.010 0.000 0.328 77 Y C -2.162 173.793 175.900 0.090 0.000 0.995 77 Y CA -3.383 54.734 58.100 0.028 0.000 1.283 77 Y CB -0.041 38.343 38.460 -0.127 0.000 1.092 77 Y HN 0.100 nan 8.280 nan 0.000 0.519 78 P HA 0.086 nan 4.420 nan 0.000 0.262 78 P C 0.950 178.313 177.300 0.105 0.000 1.199 78 P CA 1.131 64.291 63.100 0.101 0.000 0.763 78 P CB 0.673 32.403 31.700 0.051 0.000 0.790 79 G N 2.753 111.600 108.800 0.079 0.000 2.168 79 G HA2 -0.299 3.667 3.960 0.010 0.000 0.263 79 G HA3 -0.299 3.667 3.960 0.010 0.000 0.263 79 G C -0.031 174.901 174.900 0.054 0.000 0.977 79 G CA -0.365 44.756 45.100 0.035 0.000 0.659 79 G HN 0.539 nan 8.290 nan 0.000 0.533 80 F N 1.512 121.419 119.950 -0.072 0.000 2.438 80 F HA 0.571 5.104 4.527 0.009 0.000 0.356 80 F C 1.353 177.043 175.800 -0.182 0.000 1.099 80 F CA -0.556 57.344 58.000 -0.166 0.000 1.185 80 F CB 1.209 40.081 39.000 -0.213 0.000 1.115 80 F HN 0.179 nan 8.300 nan 0.000 0.526 81 E N 3.992 123.719 120.200 -0.788 0.000 2.085 81 E HA -0.096 4.260 4.350 0.010 0.000 0.194 81 E C 2.159 178.251 176.600 -0.846 0.000 0.994 81 E CA 1.905 57.891 56.400 -0.689 0.000 0.801 81 E CB -0.544 28.825 29.700 -0.553 0.000 0.743 81 E HN 0.932 nan 8.360 nan 0.000 0.453 82 G N -0.727 107.008 108.800 -1.775 0.000 2.462 82 G HA2 -0.306 3.660 3.960 0.010 0.000 0.220 82 G HA3 -0.306 3.660 3.960 0.010 0.000 0.220 82 G C 1.681 176.652 174.900 0.118 0.000 1.121 82 G CA 1.641 46.067 45.100 -1.124 0.000 0.758 82 G HN 0.502 nan 8.290 nan 0.000 0.559 83 T N -2.003 112.602 114.554 0.084 0.000 3.004 83 T HA 0.113 4.469 4.350 0.010 0.000 0.243 83 T C 1.940 176.832 174.700 0.319 0.000 1.020 83 T CA 0.827 63.285 62.100 0.596 0.000 1.145 83 T CB -0.031 69.249 68.868 0.687 0.000 0.876 83 T HN 0.092 nan 8.240 nan 0.000 0.449 84 E N 2.362 122.602 120.200 0.065 0.000 2.160 84 E HA -0.117 4.239 4.350 0.010 0.000 0.195 84 E C 2.235 178.758 176.600 -0.127 0.000 0.991 84 E CA 1.395 57.781 56.400 -0.025 0.000 0.810 84 E CB -0.591 29.061 29.700 -0.080 0.000 0.742 84 E HN 0.818 nan 8.360 nan 0.000 0.466 85 M N -2.394 117.046 119.600 -0.266 0.000 2.435 85 M HA -0.091 4.395 4.480 0.010 0.000 0.262 85 M C 1.178 177.111 176.300 -0.611 0.000 1.065 85 M CA 1.448 56.443 55.300 -0.509 0.000 1.076 85 M CB -0.480 31.699 32.600 -0.701 0.000 1.403 85 M HN 0.007 nan 8.290 nan 0.000 0.454 86 W N 0.690 121.928 121.300 -0.104 0.000 3.177 86 W HA 0.312 4.977 4.660 0.009 0.000 0.309 86 W C 0.286 176.712 176.519 -0.155 0.000 1.224 86 W CA -0.961 56.298 57.345 -0.143 0.000 1.718 86 W CB -0.011 29.421 29.460 -0.048 0.000 1.078 86 W HN 0.091 nan 8.180 nan 0.000 0.618 87 N N 1.581 120.306 118.700 0.040 0.000 2.467 87 N HA 0.162 4.908 4.740 0.010 0.000 0.262 87 N C -2.442 172.997 175.510 -0.119 0.000 1.234 87 N CA -1.620 51.411 53.050 -0.031 0.000 0.952 87 N CB -0.102 38.365 38.487 -0.034 0.000 1.158 87 N HN -0.360 nan 8.380 nan 0.000 0.463 88 P HA 0.010 nan 4.420 nan 0.000 0.264 88 P C 0.254 177.450 177.300 -0.172 0.000 1.183 88 P CA 0.192 63.184 63.100 -0.180 0.000 0.763 88 P CB 0.306 31.891 31.700 -0.191 0.000 0.807 89 N N 2.227 120.813 118.700 -0.189 0.000 2.187 89 N HA 0.063 4.809 4.740 0.010 0.000 0.212 89 N C 0.177 175.609 175.510 -0.131 0.000 1.152 89 N CA 0.063 53.014 53.050 -0.165 0.000 0.872 89 N CB 0.438 38.809 38.487 -0.193 0.000 1.025 89 N HN 0.159 nan 8.380 nan 0.000 0.514 90 R N 0.240 120.658 120.500 -0.138 0.000 2.905 90 R HA 0.310 4.655 4.340 0.010 0.000 0.260 90 R C -0.389 175.830 176.300 -0.134 0.000 1.086 90 R CA -0.732 55.302 56.100 -0.109 0.000 0.978 90 R CB 0.607 30.859 30.300 -0.079 0.000 1.215 90 R HN 0.207 nan 8.270 nan 0.000 0.480 91 E N 1.278 121.404 120.200 -0.124 0.000 2.442 91 E HA -0.004 4.352 4.350 0.010 0.000 0.262 91 E C -0.418 176.067 176.600 -0.192 0.000 1.004 91 E CA 0.017 56.332 56.400 -0.142 0.000 0.928 91 E CB 0.544 30.178 29.700 -0.111 0.000 0.937 91 E HN 0.245 nan 8.360 nan 0.000 0.446 92 L N 3.457 124.510 121.223 -0.283 0.000 2.360 92 L HA 0.172 4.518 4.340 0.010 0.000 0.276 92 L C 0.328 176.989 176.870 -0.347 0.000 1.121 92 L CA 0.151 54.708 54.840 -0.473 0.000 0.845 92 L CB 0.994 42.508 42.059 -0.908 0.000 1.143 92 L HN 0.433 nan 8.230 nan 0.000 0.452 93 S N 1.653 117.234 115.700 -0.198 0.000 2.547 93 S HA 0.232 4.708 4.470 0.010 0.000 0.270 93 S C 0.210 174.810 174.600 -0.001 0.000 1.150 93 S CA -0.694 57.512 58.200 0.009 0.000 0.850 93 S CB 1.678 64.869 63.200 -0.014 0.000 1.118 93 S HN 0.725 nan 8.310 nan 0.000 0.461 94 E N 0.815 121.001 120.200 -0.023 0.000 2.285 94 E HA -0.022 4.334 4.350 0.010 0.000 0.194 94 E C -0.342 176.213 176.600 -0.075 0.000 0.997 94 E CA 0.359 56.668 56.400 -0.151 0.000 0.845 94 E CB 0.099 29.668 29.700 -0.218 0.000 0.782 94 E HN 0.573 nan 8.360 nan 0.000 0.491 95 D N 0.569 120.959 120.400 -0.017 0.000 2.435 95 D HA -0.015 4.630 4.640 0.010 0.000 0.230 95 D C 0.049 176.450 176.300 0.169 0.000 1.215 95 D CA -0.189 53.837 54.000 0.042 0.000 0.947 95 D CB 0.051 40.893 40.800 0.070 0.000 1.048 95 D HN 0.171 nan 8.370 nan 0.000 0.512 96 c N 2.504 121.178 118.600 0.123 0.000 3.981 96 c HA 0.315 4.891 4.570 0.010 0.000 0.306 96 c C 0.713 174.891 174.090 0.146 0.000 2.005 96 c CA -0.617 55.843 56.329 0.218 0.000 1.655 96 c CB -1.142 41.406 42.510 0.063 0.000 3.164 96 c HN 0.459 nan 8.230 nan 0.000 0.554 97 L N 2.526 123.582 121.223 -0.279 0.000 2.437 97 L HA 0.348 4.694 4.340 0.010 0.000 0.243 97 L C -0.766 175.453 176.870 -1.085 0.000 1.346 97 L CA 0.590 55.021 54.840 -0.681 0.000 1.233 97 L CB -0.796 40.762 42.059 -0.834 0.000 1.436 97 L HN 0.435 nan 8.230 nan 0.000 0.416 98 Y N 1.124 121.374 120.300 -0.084 0.000 2.598 98 Y HA 0.657 5.213 4.550 0.009 0.000 0.340 98 Y C 0.101 176.224 175.900 0.372 0.000 1.038 98 Y CA -1.184 56.966 58.100 0.084 0.000 1.100 98 Y CB 1.861 40.324 38.460 0.004 0.000 1.281 98 Y HN 0.153 nan 8.280 nan 0.000 0.488 99 L N -0.478 120.947 121.223 0.337 0.000 2.322 99 L HA 0.779 5.125 4.340 0.010 0.000 0.252 99 L C -1.484 175.378 176.870 -0.015 0.000 1.055 99 L CA -1.191 53.710 54.840 0.102 0.000 0.849 99 L CB 1.804 43.715 42.059 -0.247 0.000 1.446 99 L HN 0.487 nan 8.230 nan 0.000 0.416 100 N N -0.251 118.430 118.700 -0.031 0.000 2.235 100 N HA 0.720 5.466 4.740 0.010 0.000 0.293 100 N C -1.666 173.719 175.510 -0.209 0.000 1.083 100 N CA -0.347 52.604 53.050 -0.165 0.000 0.801 100 N CB 2.890 41.342 38.487 -0.058 0.000 1.559 100 N HN 0.520 nan 8.380 nan 0.000 0.472 101 V N 1.694 121.396 119.914 -0.352 0.000 2.577 101 V HA 0.484 4.610 4.120 0.010 0.000 0.303 101 V C -0.793 175.205 176.094 -0.160 0.000 1.042 101 V CA -0.757 61.443 62.300 -0.167 0.000 0.872 101 V CB 2.176 33.756 31.823 -0.404 0.000 0.998 101 V HN 0.531 nan 8.190 nan 0.000 0.423 102 W N 2.791 124.184 121.300 0.155 0.000 2.606 102 W HA 0.722 5.388 4.660 0.011 0.000 0.332 102 W C 0.162 176.792 176.519 0.186 0.000 1.052 102 W CA -0.433 57.009 57.345 0.162 0.000 1.223 102 W CB 2.433 31.967 29.460 0.125 0.000 1.383 102 W HN 0.644 nan 8.180 nan 0.000 0.524 103 T N -0.218 114.596 114.554 0.434 0.000 2.868 103 T HA 0.465 4.821 4.350 0.010 0.000 0.306 103 T C -2.873 172.007 174.700 0.300 0.000 1.224 103 T CA -2.289 60.020 62.100 0.349 0.000 1.012 103 T CB 2.148 71.250 68.868 0.389 0.000 1.221 103 T HN -0.099 nan 8.240 nan 0.000 0.499 104 P HA 0.157 nan 4.420 nan 0.000 0.269 104 P C -1.536 175.914 177.300 0.249 0.000 1.205 104 P CA -0.007 63.215 63.100 0.202 0.000 0.780 104 P CB 0.072 31.859 31.700 0.144 0.000 0.858 105 Y N 2.445 122.801 120.300 0.093 0.000 2.338 105 Y HA 0.427 4.983 4.550 0.009 0.000 0.333 105 Y C -2.278 173.657 175.900 0.058 0.000 0.968 105 Y CA -2.575 55.572 58.100 0.079 0.000 1.123 105 Y CB 1.323 39.816 38.460 0.055 0.000 1.165 105 Y HN 0.324 nan 8.280 nan 0.000 0.452 106 P HA 0.142 nan 4.420 nan 0.000 0.271 106 P C -0.790 176.464 177.300 -0.076 0.000 1.233 106 P CA -0.224 62.666 63.100 -0.349 0.000 0.789 106 P CB 0.977 32.528 31.700 -0.248 0.000 0.951 107 R N 1.108 121.580 120.500 -0.046 0.000 2.638 107 R HA 0.069 4.415 4.340 0.010 0.000 0.268 107 R C -1.796 174.533 176.300 0.048 0.000 1.006 107 R CA -0.819 55.322 56.100 0.069 0.000 1.088 107 R CB -0.942 29.407 30.300 0.082 0.000 0.950 107 R HN 0.426 nan 8.270 nan 0.000 0.419 108 P HA -0.100 nan 4.420 nan 0.000 0.265 108 P C -0.090 177.229 177.300 0.033 0.000 1.187 108 P CA 0.367 63.502 63.100 0.058 0.000 0.766 108 P CB 0.701 32.445 31.700 0.074 0.000 0.820 109 A N 2.971 125.803 122.820 0.021 0.000 1.858 109 A HA -0.072 4.254 4.320 0.010 0.000 0.216 109 A C 1.050 178.640 177.584 0.009 0.000 1.190 109 A CA 1.881 53.923 52.037 0.009 0.000 0.617 109 A CB -1.045 17.959 19.000 0.006 0.000 0.827 109 A HN 0.648 nan 8.150 nan 0.000 0.443 110 S N -0.680 115.028 115.700 0.014 0.000 2.593 110 S HA 0.610 5.086 4.470 0.010 0.000 0.297 110 S C -3.116 171.494 174.600 0.017 0.000 1.112 110 S CA -1.874 56.332 58.200 0.010 0.000 1.043 110 S CB 1.274 64.477 63.200 0.006 0.000 1.054 110 S HN 0.056 nan 8.310 nan 0.000 0.516 111 P HA 0.206 nan 4.420 nan 0.000 0.263 111 P C -0.651 176.661 177.300 0.021 0.000 1.195 111 P CA 0.165 63.277 63.100 0.019 0.000 0.762 111 P CB 0.187 31.889 31.700 0.004 0.000 0.799 112 T N 5.728 120.308 114.554 0.043 0.000 2.829 112 T HA 0.388 4.744 4.350 0.010 0.000 0.282 112 T C -2.399 172.326 174.700 0.042 0.000 0.990 112 T CA -1.915 60.211 62.100 0.044 0.000 1.028 112 T CB 0.658 69.569 68.868 0.072 0.000 0.951 112 T HN 0.156 nan 8.240 nan 0.000 0.460 113 P HA 0.098 nan 4.420 nan 0.000 0.264 113 P C -0.786 176.551 177.300 0.060 0.000 1.183 113 P CA -0.114 62.995 63.100 0.014 0.000 0.763 113 P CB 0.328 32.020 31.700 -0.013 0.000 0.807 114 V N 5.011 124.978 119.914 0.089 0.000 2.532 114 V HA 0.330 4.456 4.120 0.010 0.000 0.295 114 V C 0.147 176.339 176.094 0.164 0.000 1.041 114 V CA -0.565 61.821 62.300 0.143 0.000 0.926 114 V CB 1.552 33.475 31.823 0.168 0.000 0.992 114 V HN 0.360 nan 8.190 nan 0.000 0.457 115 L N 5.511 126.856 121.223 0.203 0.000 2.325 115 L HA 0.588 4.934 4.340 0.010 0.000 0.281 115 L C -0.452 176.686 176.870 0.447 0.000 1.004 115 L CA -0.131 54.865 54.840 0.261 0.000 0.823 115 L CB 1.685 43.812 42.059 0.114 0.000 1.236 115 L HN 0.547 nan 8.230 nan 0.000 0.415 116 I N 3.251 124.111 120.570 0.484 0.000 2.355 116 I HA 0.243 4.419 4.170 0.010 0.000 0.288 116 I C -0.303 176.100 176.117 0.477 0.000 0.999 116 I CA -0.573 60.972 61.300 0.408 0.000 1.163 116 I CB 1.825 39.943 38.000 0.197 0.000 1.316 116 I HN 0.594 nan 8.210 nan 0.000 0.454 117 W N 8.457 129.844 121.300 0.145 0.000 2.316 117 W HA 0.539 5.204 4.660 0.008 0.000 0.311 117 W C -1.420 174.985 176.519 -0.191 0.000 1.217 117 W CA -0.605 56.581 57.345 -0.266 0.000 1.199 117 W CB 1.156 30.497 29.460 -0.198 0.000 1.202 117 W HN 0.362 nan 8.180 nan 0.000 0.528 118 I N 9.212 129.132 120.570 -1.083 0.000 2.420 118 I HA 0.061 4.237 4.170 0.010 0.000 0.282 118 I C -0.191 175.019 176.117 -1.512 0.000 1.019 118 I CA -1.089 59.601 61.300 -1.017 0.000 1.130 118 I CB 0.524 38.087 38.000 -0.728 0.000 1.262 118 I HN 0.328 nan 8.210 nan 0.000 0.454 119 Y N 4.498 124.162 120.300 -1.059 0.000 2.546 119 Y HA 0.556 5.112 4.550 0.009 0.000 0.351 119 Y C 0.862 176.514 175.900 -0.412 0.000 1.266 119 Y CA -0.498 57.123 58.100 -0.799 0.000 1.487 119 Y CB -0.089 38.204 38.460 -0.278 0.000 1.365 119 Y HN 0.513 nan 8.280 nan 0.000 0.642 120 G N -1.105 107.653 108.800 -0.069 0.000 2.702 120 G HA2 0.493 4.459 3.960 0.010 0.000 0.254 120 G HA3 0.493 4.459 3.960 0.010 0.000 0.254 120 G C 0.338 175.139 174.900 -0.165 0.000 1.380 120 G CA -0.950 44.031 45.100 -0.199 0.000 1.042 120 G HN 1.733 nan 8.290 nan 0.000 0.557 121 G N -2.793 105.723 108.800 -0.473 0.000 2.157 121 G HA2 0.383 4.349 3.960 0.010 0.000 0.114 121 G HA3 0.383 4.349 3.960 0.010 0.000 0.114 121 G C 1.130 175.353 174.900 -1.129 0.000 1.041 121 G CA 0.742 45.423 45.100 -0.698 0.000 0.714 121 G HN 2.385 nan 8.290 nan 0.000 0.492 122 G N -0.686 107.460 108.800 -1.090 0.000 2.168 122 G HA2 -0.116 3.849 3.960 0.010 0.000 0.257 122 G HA3 -0.116 3.849 3.960 0.010 0.000 0.257 122 G C 0.900 175.395 174.900 -0.675 0.000 0.997 122 G CA 0.875 45.026 45.100 -1.581 0.000 0.708 122 G HN 1.811 nan 8.290 nan 0.000 0.520 123 F N -3.404 116.332 119.950 -0.357 0.000 2.794 123 F HA -0.298 4.235 4.527 0.009 0.000 0.335 123 F C 1.385 177.280 175.800 0.159 0.000 0.653 123 F CA 2.162 60.117 58.000 -0.074 0.000 1.266 123 F CB -2.063 36.745 39.000 -0.319 0.000 1.666 123 F HN 0.958 nan 8.300 nan 0.000 0.314 124 Y N -1.197 119.221 120.300 0.196 0.000 2.527 124 Y HA 0.677 5.233 4.550 0.009 0.000 0.247 124 Y C 0.512 176.522 175.900 0.184 0.000 1.138 124 Y CA 0.118 58.384 58.100 0.276 0.000 1.228 124 Y CB -0.055 38.578 38.460 0.288 0.000 1.252 124 Y HN 0.085 nan 8.280 nan 0.000 0.531 125 S N -0.866 114.522 115.700 -0.521 0.000 2.672 125 S HA 0.912 5.388 4.470 0.010 0.000 0.271 125 S C -0.149 174.269 174.600 -0.304 0.000 1.171 125 S CA -0.508 57.492 58.200 -0.333 0.000 0.817 125 S CB 1.577 64.534 63.200 -0.406 0.000 1.150 125 S HN 1.356 nan 8.310 nan 0.000 0.478 126 G N -0.707 107.888 108.800 -0.342 0.000 2.381 126 G HA2 0.568 4.533 3.960 0.010 0.000 0.672 126 G HA3 0.568 4.533 3.960 0.010 0.000 0.672 126 G C -0.751 173.495 174.900 -1.090 0.000 1.324 126 G CA -0.219 44.518 45.100 -0.604 0.000 0.975 126 G HN 2.309 nan 8.290 nan 0.000 0.593 127 A N -1.527 120.426 122.820 -1.444 0.000 2.583 127 A HA 0.942 5.268 4.320 0.010 0.000 0.298 127 A C 0.465 177.826 177.584 -0.371 0.000 1.055 127 A CA 0.771 52.282 52.037 -0.876 0.000 0.714 127 A CB 0.696 19.442 19.000 -0.424 0.000 1.277 127 A HN 2.591 nan 8.150 nan 0.000 0.406 128 A N 0.657 123.495 122.820 0.030 0.000 2.206 128 A HA 0.281 4.607 4.320 0.010 0.000 0.211 128 A C 1.653 179.282 177.584 0.075 0.000 1.158 128 A CA 1.765 54.021 52.037 0.365 0.000 0.761 128 A CB -0.524 18.768 19.000 0.487 0.000 0.801 128 A HN 1.857 nan 8.150 nan 0.000 0.473 129 S N -0.497 114.983 115.700 -0.366 0.000 2.575 129 S HA 0.327 4.803 4.470 0.010 0.000 0.215 129 S C 0.477 174.597 174.600 -0.799 0.000 0.966 129 S CA -0.464 56.991 58.200 -1.242 0.000 0.911 129 S CB -0.551 61.912 63.200 -1.229 0.000 0.780 129 S HN 0.385 nan 8.310 nan 0.000 0.514 130 L N 2.242 123.190 121.223 -0.459 0.000 2.483 130 L HA 0.121 4.467 4.340 0.010 0.000 0.276 130 L C 1.242 177.778 176.870 -0.557 0.000 1.213 130 L CA -0.384 54.132 54.840 -0.540 0.000 0.843 130 L CB 0.189 41.795 42.059 -0.754 0.000 1.107 130 L HN 0.075 nan 8.230 nan 0.000 0.487 131 D N 1.143 121.254 120.400 -0.482 0.000 2.158 131 D HA -0.150 4.496 4.640 0.010 0.000 0.197 131 D C 1.948 177.972 176.300 -0.460 0.000 0.995 131 D CA 1.361 55.142 54.000 -0.365 0.000 0.846 131 D CB -0.002 40.620 40.800 -0.296 0.000 0.941 131 D HN 0.524 nan 8.370 nan 0.000 0.456 132 V N -1.521 117.958 119.914 -0.724 0.000 3.305 132 V HA -0.137 3.989 4.120 0.010 0.000 0.269 132 V C 0.992 176.475 176.094 -1.018 0.000 1.157 132 V CA 1.004 62.832 62.300 -0.786 0.000 1.157 132 V CB -1.102 30.176 31.823 -0.909 0.000 0.772 132 V HN 0.082 nan 8.190 nan 0.000 0.498 133 Y N 0.011 119.740 120.300 -0.951 0.000 2.555 133 Y HA 0.439 4.994 4.550 0.009 0.000 0.259 133 Y C 0.874 176.191 175.900 -0.971 0.000 1.179 133 Y CA -1.950 55.193 58.100 -1.595 0.000 1.230 133 Y CB -0.622 37.321 38.460 -0.863 0.000 1.146 133 Y HN 0.238 nan 8.280 nan 0.000 0.526 134 D N 0.886 121.013 120.400 -0.453 0.000 2.451 134 D HA 0.007 4.652 4.640 0.010 0.000 0.254 134 D C 1.414 177.389 176.300 -0.541 0.000 1.204 134 D CA 0.601 54.383 54.000 -0.363 0.000 0.896 134 D CB 1.287 42.023 40.800 -0.106 0.000 1.136 134 D HN 0.475 nan 8.370 nan 0.000 0.499 135 G N 4.060 111.817 108.800 -1.739 0.000 2.920 135 G HA2 -0.180 3.786 3.960 0.010 0.000 0.208 135 G HA3 -0.180 3.786 3.960 0.010 0.000 0.208 135 G C 1.519 175.819 174.900 -1.001 0.000 1.159 135 G CA 0.373 44.705 45.100 -1.280 0.000 0.784 135 G HN 0.639 nan 8.290 nan 0.000 0.535 136 R N -0.531 119.279 120.500 -1.150 0.000 2.105 136 R HA -0.066 4.280 4.340 0.010 0.000 0.239 136 R C 1.758 177.758 176.300 -0.500 0.000 1.135 136 R CA 1.515 57.218 56.100 -0.661 0.000 0.967 136 R CB -0.718 29.216 30.300 -0.610 0.000 0.861 136 R HN 0.321 nan 8.270 nan 0.000 0.442 137 F N 1.407 121.258 119.950 -0.166 0.000 2.128 137 F HA 0.043 4.576 4.527 0.010 0.000 0.295 137 F C 2.366 178.101 175.800 -0.109 0.000 1.100 137 F CA 0.788 58.718 58.000 -0.117 0.000 1.260 137 F CB -0.638 38.282 39.000 -0.133 0.000 1.009 137 F HN -0.132 nan 8.300 nan 0.000 0.476 138 L N 0.089 121.330 121.223 0.030 0.000 2.012 138 L HA -0.269 4.077 4.340 0.010 0.000 0.210 138 L C 2.800 179.673 176.870 0.005 0.000 1.073 138 L CA 1.332 56.148 54.840 -0.039 0.000 0.748 138 L CB -1.090 40.888 42.059 -0.135 0.000 0.891 138 L HN 0.204 nan 8.230 nan 0.000 0.431 139 A N -0.877 121.956 122.820 0.021 0.000 1.873 139 A HA -0.296 4.029 4.320 0.010 0.000 0.218 139 A C 2.291 179.921 177.584 0.078 0.000 1.193 139 A CA 2.054 54.149 52.037 0.097 0.000 0.629 139 A CB -0.649 18.460 19.000 0.181 0.000 0.826 139 A HN 0.442 nan 8.150 nan 0.000 0.447 140 Q N -0.365 119.460 119.800 0.041 0.000 2.020 140 Q HA -0.068 4.278 4.340 0.010 0.000 0.198 140 Q C 2.241 178.272 176.000 0.052 0.000 0.974 140 Q CA 2.047 57.879 55.803 0.049 0.000 0.829 140 Q CB -0.337 28.410 28.738 0.016 0.000 0.894 140 Q HN 0.424 nan 8.270 nan 0.000 0.433 141 V N 1.178 121.122 119.914 0.050 0.000 2.379 141 V HA -0.102 4.023 4.120 0.010 0.000 0.243 141 V C 1.865 177.973 176.094 0.024 0.000 1.035 141 V CA 1.493 63.816 62.300 0.039 0.000 1.035 141 V CB -0.236 31.610 31.823 0.039 0.000 0.673 141 V HN 0.210 nan 8.190 nan 0.000 0.457 142 E N -0.008 120.203 120.200 0.018 0.000 2.474 142 E HA 0.163 4.519 4.350 0.010 0.000 0.194 142 E C 1.793 178.409 176.600 0.027 0.000 1.041 142 E CA 0.719 57.126 56.400 0.010 0.000 0.874 142 E CB 0.236 29.930 29.700 -0.009 0.000 0.914 142 E HN 0.617 nan 8.360 nan 0.000 0.498 143 G N 1.393 110.220 108.800 0.045 0.000 2.153 143 G HA2 -0.322 3.644 3.960 0.010 0.000 0.252 143 G HA3 -0.322 3.644 3.960 0.010 0.000 0.252 143 G C 0.528 175.473 174.900 0.074 0.000 0.994 143 G CA 0.423 45.560 45.100 0.063 0.000 0.698 143 G HN 0.500 nan 8.290 nan 0.000 0.521 144 A N -0.683 122.179 122.820 0.068 0.000 2.371 144 A HA 0.684 5.010 4.320 0.010 0.000 0.257 144 A C 0.503 178.170 177.584 0.137 0.000 1.089 144 A CA 0.148 52.231 52.037 0.077 0.000 0.794 144 A CB 1.136 20.158 19.000 0.036 0.000 1.029 144 A HN 1.105 nan 8.150 nan 0.000 0.488 145 V N 3.158 123.164 119.914 0.154 0.000 2.364 145 V HA 0.356 4.481 4.120 0.010 0.000 0.272 145 V C -0.134 176.106 176.094 0.243 0.000 1.036 145 V CA -0.079 62.348 62.300 0.212 0.000 0.880 145 V CB 0.749 32.691 31.823 0.197 0.000 0.991 145 V HN 0.721 nan 8.190 nan 0.000 0.460 146 L N 6.250 127.677 121.223 0.339 0.000 2.333 146 L HA 0.728 5.073 4.340 0.010 0.000 0.280 146 L C -0.805 176.375 176.870 0.518 0.000 1.004 146 L CA -0.258 54.836 54.840 0.423 0.000 0.820 146 L CB 1.875 44.176 42.059 0.404 0.000 1.247 146 L HN 0.428 nan 8.230 nan 0.000 0.416 147 V N 3.465 123.649 119.914 0.451 0.000 2.540 147 V HA 0.676 4.802 4.120 0.010 0.000 0.302 147 V C -0.391 175.956 176.094 0.421 0.000 1.035 147 V CA -0.382 62.130 62.300 0.354 0.000 0.873 147 V CB 1.949 33.907 31.823 0.226 0.000 0.992 147 V HN 0.857 nan 8.190 nan 0.000 0.428 148 S N 5.791 121.746 115.700 0.425 0.000 2.548 148 S HA 0.904 5.379 4.470 0.010 0.000 0.286 148 S C -0.807 173.960 174.600 0.277 0.000 1.098 148 S CA -0.819 57.639 58.200 0.430 0.000 0.930 148 S CB 2.334 65.937 63.200 0.671 0.000 1.070 148 S HN 0.831 nan 8.310 nan 0.000 0.480 149 M N 1.281 121.015 119.600 0.224 0.000 2.591 149 M HA 0.637 5.123 4.480 0.010 0.000 0.306 149 M C -1.804 174.756 176.300 0.433 0.000 1.190 149 M CA -0.579 54.848 55.300 0.212 0.000 0.889 149 M CB 1.280 33.817 32.600 -0.105 0.000 1.728 149 M HN 0.550 nan 8.290 nan 0.000 0.458 150 N N 2.623 121.631 118.700 0.513 0.000 2.529 150 N HA 0.557 5.303 4.740 0.010 0.000 0.278 150 N C -1.352 174.478 175.510 0.533 0.000 1.146 150 N CA 0.153 53.520 53.050 0.530 0.000 0.980 150 N CB 0.463 39.164 38.487 0.358 0.000 1.124 150 N HN 0.699 nan 8.380 nan 0.000 0.458 151 Y N -1.812 118.684 120.300 0.328 0.000 2.545 151 Y HA 0.571 5.126 4.550 0.010 0.000 0.348 151 Y C 0.026 176.067 175.900 0.235 0.000 1.002 151 Y CA -1.379 56.857 58.100 0.226 0.000 1.039 151 Y CB 0.857 39.377 38.460 0.101 0.000 1.271 151 Y HN 0.198 nan 8.280 nan 0.000 0.467 152 R N 1.782 122.401 120.500 0.197 0.000 2.537 152 R HA 0.468 4.814 4.340 0.010 0.000 0.280 152 R C -0.285 176.133 176.300 0.197 0.000 1.058 152 R CA -0.139 56.038 56.100 0.128 0.000 1.057 152 R CB 0.669 31.027 30.300 0.097 0.000 0.973 152 R HN 0.721 nan 8.270 nan 0.000 0.438 153 V N 0.039 120.123 119.914 0.284 0.000 3.166 153 V HA 0.900 5.026 4.120 0.010 0.000 0.317 153 V C 0.747 177.202 176.094 0.600 0.000 1.136 153 V CA -0.132 62.472 62.300 0.508 0.000 1.035 153 V CB 1.209 33.205 31.823 0.288 0.000 1.110 153 V HN 0.972 nan 8.190 nan 0.000 0.450 154 G N 1.607 110.826 108.800 0.697 0.000 2.569 154 G HA2 -0.257 3.709 3.960 0.010 0.000 0.259 154 G HA3 -0.257 3.709 3.960 0.010 0.000 0.259 154 G C 0.954 176.075 174.900 0.368 0.000 1.263 154 G CA 1.253 46.712 45.100 0.599 0.000 0.928 154 G HN 2.348 nan 8.290 nan 0.000 0.572 155 T N -1.831 112.643 114.554 -0.134 0.000 2.720 155 T HA -0.111 4.245 4.350 0.010 0.000 0.268 155 T C 2.139 176.723 174.700 -0.194 0.000 1.037 155 T CA 2.657 64.406 62.100 -0.584 0.000 1.144 155 T CB -0.442 67.917 68.868 -0.848 0.000 0.864 155 T HN 0.656 nan 8.240 nan 0.000 0.444 156 F N 2.184 122.210 119.950 0.127 0.000 2.216 156 F HA 0.202 4.734 4.527 0.009 0.000 0.300 156 F C 2.770 178.578 175.800 0.013 0.000 1.085 156 F CA 0.805 58.824 58.000 0.032 0.000 1.326 156 F CB -0.942 38.047 39.000 -0.019 0.000 1.027 156 F HN 0.380 nan 8.300 nan 0.000 0.497 157 G N -1.899 106.993 108.800 0.153 0.000 2.595 157 G HA2 0.015 3.981 3.960 0.010 0.000 0.213 157 G HA3 0.015 3.981 3.960 0.010 0.000 0.213 157 G C 0.970 175.437 174.900 -0.721 0.000 1.141 157 G CA 0.296 45.208 45.100 -0.314 0.000 0.806 157 G HN 0.367 nan 8.290 nan 0.000 0.530 158 F N -0.814 119.254 119.950 0.196 0.000 2.925 158 F HA 0.423 4.957 4.527 0.010 0.000 0.355 158 F C 0.567 176.473 175.800 0.178 0.000 1.073 158 F CA -0.954 57.145 58.000 0.165 0.000 1.127 158 F CB 0.260 39.365 39.000 0.176 0.000 1.123 158 F HN -0.117 nan 8.300 nan 0.000 0.551 159 L N 2.344 123.654 121.223 0.146 0.000 2.640 159 L HA 0.315 4.661 4.340 0.010 0.000 0.280 159 L C 0.022 176.888 176.870 -0.007 0.000 1.229 159 L CA 0.182 54.992 54.840 -0.051 0.000 0.919 159 L CB 0.234 41.975 42.059 -0.530 0.000 1.168 159 L HN 0.166 nan 8.230 nan 0.000 0.496 160 A N 6.394 129.249 122.820 0.058 0.000 2.381 160 A HA 0.625 4.951 4.320 0.010 0.000 0.299 160 A C -1.012 176.565 177.584 -0.011 0.000 1.049 160 A CA -0.599 51.449 52.037 0.018 0.000 0.715 160 A CB 1.144 20.186 19.000 0.071 0.000 1.222 160 A HN 0.672 nan 8.150 nan 0.000 0.428 161 L N 3.732 124.927 121.223 -0.046 0.000 2.353 161 L HA 0.312 4.657 4.340 0.010 0.000 0.269 161 L C -2.380 174.484 176.870 -0.009 0.000 1.085 161 L CA -1.721 53.099 54.840 -0.033 0.000 0.938 161 L CB 1.035 43.060 42.059 -0.057 0.000 1.312 161 L HN 0.398 nan 8.230 nan 0.000 0.429 162 P HA 0.062 nan 4.420 nan 0.000 0.264 162 P C 0.993 178.299 177.300 0.010 0.000 1.183 162 P CA 0.717 63.826 63.100 0.014 0.000 0.763 162 P CB 0.941 32.649 31.700 0.014 0.000 0.807 163 G N 1.501 110.311 108.800 0.017 0.000 2.241 163 G HA2 -0.238 3.727 3.960 0.010 0.000 0.244 163 G HA3 -0.238 3.727 3.960 0.010 0.000 0.244 163 G C 0.432 175.341 174.900 0.015 0.000 0.998 163 G CA 0.298 45.407 45.100 0.015 0.000 0.621 163 G HN 0.819 nan 8.290 nan 0.000 0.519 164 S N -0.489 115.218 115.700 0.012 0.000 2.669 164 S HA 0.676 5.152 4.470 0.010 0.000 0.270 164 S C 1.156 175.770 174.600 0.023 0.000 1.225 164 S CA 0.356 58.563 58.200 0.012 0.000 0.991 164 S CB 2.075 65.275 63.200 0.000 0.000 0.987 164 S HN 0.411 nan 8.310 nan 0.000 0.552 165 R N -0.120 120.395 120.500 0.026 0.000 2.140 165 R HA 0.088 4.433 4.340 0.010 0.000 0.213 165 R C 1.029 177.357 176.300 0.046 0.000 1.059 165 R CA 0.956 57.077 56.100 0.035 0.000 1.000 165 R CB -0.141 30.178 30.300 0.032 0.000 0.910 165 R HN 0.794 nan 8.270 nan 0.000 0.455 166 E N -0.806 119.421 120.200 0.045 0.000 2.447 166 E HA 0.152 4.508 4.350 0.010 0.000 0.195 166 E C -0.322 176.336 176.600 0.097 0.000 1.028 166 E CA 0.409 56.852 56.400 0.072 0.000 0.876 166 E CB 1.394 31.134 29.700 0.066 0.000 0.885 166 E HN 0.226 nan 8.360 nan 0.000 0.500 167 A N 1.051 123.898 122.820 0.045 0.000 3.422 167 A HA 0.267 4.593 4.320 0.010 0.000 0.271 167 A C -2.223 175.371 177.584 0.016 0.000 1.104 167 A CA -0.849 51.199 52.037 0.019 0.000 0.899 167 A CB 0.461 19.374 19.000 -0.146 0.000 1.309 167 A HN -0.088 nan 8.150 nan 0.000 0.580 168 P HA 0.136 nan 4.420 nan 0.000 0.233 168 P C 0.957 178.286 177.300 0.049 0.000 1.167 168 P CA 1.770 64.898 63.100 0.047 0.000 0.770 168 P CB 0.138 31.875 31.700 0.062 0.000 0.837 169 G N 1.029 109.857 108.800 0.047 0.000 2.781 169 G HA2 -0.212 3.754 3.960 0.010 0.000 0.683 169 G HA3 -0.212 3.754 3.960 0.010 0.000 0.683 169 G C -0.078 174.837 174.900 0.024 0.000 1.390 169 G CA -0.284 44.849 45.100 0.055 0.000 0.850 169 G HN 0.172 nan 8.290 nan 0.000 0.557 170 N N -2.400 116.315 118.700 0.024 0.000 2.708 170 N HA -0.277 4.469 4.740 0.010 0.000 0.251 170 N C 1.802 177.174 175.510 -0.231 0.000 1.123 170 N CA 2.359 55.349 53.050 -0.099 0.000 0.739 170 N CB -1.688 36.662 38.487 -0.228 0.000 1.113 170 N HN 1.922 nan 8.380 nan 0.000 0.561 171 V N -2.989 116.787 119.914 -0.229 0.000 2.626 171 V HA 0.052 4.177 4.120 0.010 0.000 0.252 171 V C 2.263 178.236 176.094 -0.200 0.000 1.067 171 V CA 2.143 64.358 62.300 -0.140 0.000 1.081 171 V CB -0.748 31.046 31.823 -0.048 0.000 0.686 171 V HN 0.267 nan 8.190 nan 0.000 0.468 172 G N 0.308 108.778 108.800 -0.550 0.000 2.443 172 G HA2 -0.097 3.869 3.960 0.010 0.000 0.219 172 G HA3 -0.097 3.869 3.960 0.010 0.000 0.219 172 G C 1.531 176.424 174.900 -0.010 0.000 1.131 172 G CA 1.001 45.922 45.100 -0.299 0.000 0.775 172 G HN 0.532 nan 8.290 nan 0.000 0.547 173 L N -0.200 120.941 121.223 -0.138 0.000 2.156 173 L HA 0.134 4.480 4.340 0.010 0.000 0.208 173 L C 2.745 179.646 176.870 0.052 0.000 1.095 173 L CA 0.285 55.014 54.840 -0.185 0.000 0.770 173 L CB -0.186 41.375 42.059 -0.831 0.000 0.914 173 L HN 0.176 nan 8.230 nan 0.000 0.439 174 L N -0.593 120.666 121.223 0.060 0.000 2.156 174 L HA -0.170 4.176 4.340 0.010 0.000 0.208 174 L C 2.108 179.116 176.870 0.231 0.000 1.095 174 L CA 0.768 55.740 54.840 0.222 0.000 0.770 174 L CB -0.503 41.658 42.059 0.170 0.000 0.914 174 L HN 0.288 nan 8.230 nan 0.000 0.439 175 D N -0.027 120.501 120.400 0.213 0.000 2.097 175 D HA -0.211 4.434 4.640 0.010 0.000 0.195 175 D C 2.224 178.711 176.300 0.312 0.000 0.989 175 D CA 1.184 55.401 54.000 0.361 0.000 0.827 175 D CB -0.194 40.831 40.800 0.376 0.000 0.966 175 D HN 0.362 nan 8.370 nan 0.000 0.456 176 Q N 0.097 120.000 119.800 0.171 0.000 2.096 176 Q HA -0.145 4.201 4.340 0.010 0.000 0.204 176 Q C 2.310 178.289 176.000 -0.034 0.000 0.982 176 Q CA 1.075 56.879 55.803 0.002 0.000 0.850 176 Q CB -0.071 28.669 28.738 0.004 0.000 0.901 176 Q HN 0.204 nan 8.270 nan 0.000 0.422 177 R N 0.527 121.130 120.500 0.171 0.000 2.081 177 R HA -0.172 4.173 4.340 0.010 0.000 0.235 177 R C 2.230 178.591 176.300 0.101 0.000 1.131 177 R CA 0.987 57.174 56.100 0.145 0.000 0.960 177 R CB -0.213 30.294 30.300 0.346 0.000 0.856 177 R HN 0.210 nan 8.270 nan 0.000 0.436 178 L N 0.745 122.068 121.223 0.165 0.000 2.046 178 L HA -0.051 4.294 4.340 0.010 0.000 0.208 178 L C 2.269 179.200 176.870 0.102 0.000 1.077 178 L CA 2.170 57.143 54.840 0.222 0.000 0.747 178 L CB -0.705 41.594 42.059 0.400 0.000 0.896 178 L HN 0.252 nan 8.230 nan 0.000 0.432 179 A N -0.615 122.028 122.820 -0.296 0.000 1.933 179 A HA -0.142 4.184 4.320 0.010 0.000 0.218 179 A C 2.222 179.728 177.584 -0.130 0.000 1.175 179 A CA 1.818 53.469 52.037 -0.643 0.000 0.628 179 A CB -0.787 17.558 19.000 -1.091 0.000 0.814 179 A HN 0.511 nan 8.150 nan 0.000 0.444 180 L N -1.338 119.832 121.223 -0.088 0.000 2.056 180 L HA -0.228 4.118 4.340 0.010 0.000 0.207 180 L C 2.831 179.759 176.870 0.097 0.000 1.078 180 L CA 1.714 56.555 54.840 0.000 0.000 0.749 180 L CB -0.859 41.158 42.059 -0.071 0.000 0.901 180 L HN 0.474 nan 8.230 nan 0.000 0.433 181 Q N -0.783 119.084 119.800 0.111 0.000 2.096 181 Q HA -0.270 4.076 4.340 0.010 0.000 0.204 181 Q C 2.049 178.149 176.000 0.167 0.000 0.982 181 Q CA 2.148 58.029 55.803 0.130 0.000 0.850 181 Q CB -0.260 28.562 28.738 0.141 0.000 0.901 181 Q HN 0.510 nan 8.270 nan 0.000 0.422 182 W N -0.334 120.985 121.300 0.031 0.000 2.338 182 W HA -0.233 4.433 4.660 0.009 0.000 0.304 182 W C 1.767 178.321 176.519 0.059 0.000 1.212 182 W CA 1.386 58.768 57.345 0.062 0.000 1.264 182 W CB -0.125 29.368 29.460 0.055 0.000 1.142 182 W HN -0.101 nan 8.180 nan 0.000 0.512 183 V N 0.338 120.476 119.914 0.372 0.000 2.307 183 V HA -0.316 3.809 4.120 0.010 0.000 0.245 183 V C 2.344 178.470 176.094 0.055 0.000 1.045 183 V CA 2.170 64.630 62.300 0.266 0.000 1.024 183 V CB -1.112 30.882 31.823 0.285 0.000 0.651 183 V HN 0.123 nan 8.190 nan 0.000 0.449 184 Q N 0.218 120.060 119.800 0.071 0.000 2.133 184 Q HA -0.259 4.087 4.340 0.010 0.000 0.208 184 Q C 2.222 178.197 176.000 -0.042 0.000 0.991 184 Q CA 2.237 58.063 55.803 0.038 0.000 0.867 184 Q CB -0.336 28.433 28.738 0.051 0.000 0.911 184 Q HN 0.698 nan 8.270 nan 0.000 0.417 185 E N -1.414 118.714 120.200 -0.120 0.000 2.122 185 E HA -0.048 4.308 4.350 0.010 0.000 0.190 185 E C 0.968 177.401 176.600 -0.279 0.000 0.977 185 E CA 0.665 56.955 56.400 -0.184 0.000 0.820 185 E CB 0.272 29.856 29.700 -0.194 0.000 0.770 185 E HN 0.377 nan 8.360 nan 0.000 0.462 186 N N -0.028 118.387 118.700 -0.474 0.000 2.382 186 N HA -0.017 4.729 4.740 0.010 0.000 0.200 186 N C 1.620 176.985 175.510 -0.241 0.000 1.122 186 N CA 0.019 52.722 53.050 -0.577 0.000 0.870 186 N CB 0.284 37.927 38.487 -1.406 0.000 1.176 186 N HN 0.069 nan 8.380 nan 0.000 0.474 187 I N 2.530 123.024 120.570 -0.127 0.000 2.423 187 I HA -0.168 4.008 4.170 0.010 0.000 0.254 187 I C 2.104 178.345 176.117 0.208 0.000 1.151 187 I CA 0.654 62.057 61.300 0.173 0.000 1.421 187 I CB -0.298 37.792 38.000 0.149 0.000 1.079 187 I HN 0.068 nan 8.210 nan 0.000 0.431 188 A N 0.088 122.940 122.820 0.054 0.000 2.019 188 A HA -0.069 4.257 4.320 0.010 0.000 0.219 188 A C 2.415 179.983 177.584 -0.026 0.000 1.164 188 A CA 1.423 53.472 52.037 0.021 0.000 0.644 188 A CB -1.005 17.982 19.000 -0.022 0.000 0.805 188 A HN 0.463 nan 8.150 nan 0.000 0.449 189 A N -1.649 121.105 122.820 -0.111 0.000 2.172 189 A HA 0.170 4.496 4.320 0.010 0.000 0.216 189 A C 1.276 178.539 177.584 -0.536 0.000 1.154 189 A CA 0.919 52.748 52.037 -0.348 0.000 0.701 189 A CB -0.612 18.079 19.000 -0.515 0.000 0.789 189 A HN 0.494 nan 8.150 nan 0.000 0.465 190 F N -1.492 118.412 119.950 -0.075 0.000 2.661 190 F HA 0.395 4.928 4.527 0.010 0.000 0.306 190 F C 1.689 177.506 175.800 0.029 0.000 1.094 190 F CA 0.186 58.169 58.000 -0.029 0.000 1.254 190 F CB 0.155 39.158 39.000 0.005 0.000 1.040 190 F HN 0.266 nan 8.300 nan 0.000 0.562 191 G N 0.660 109.539 108.800 0.132 0.000 2.143 191 G HA2 -0.205 3.761 3.960 0.010 0.000 0.248 191 G HA3 -0.205 3.761 3.960 0.010 0.000 0.248 191 G C 0.661 175.637 174.900 0.127 0.000 0.991 191 G CA -0.134 45.027 45.100 0.102 0.000 0.689 191 G HN 0.741 nan 8.290 nan 0.000 0.522 192 G N -0.439 108.463 108.800 0.171 0.000 2.432 192 G HA2 0.452 4.418 3.960 0.010 0.000 0.257 192 G HA3 0.452 4.418 3.960 0.010 0.000 0.257 192 G C -0.401 174.554 174.900 0.091 0.000 1.238 192 G CA 0.221 45.407 45.100 0.143 0.000 0.838 192 G HN 0.232 nan 8.290 nan 0.000 0.547 193 D N 2.419 122.857 120.400 0.063 0.000 2.339 193 D HA 0.211 4.857 4.640 0.010 0.000 0.241 193 D C -1.086 175.238 176.300 0.041 0.000 1.183 193 D CA -2.303 51.713 54.000 0.026 0.000 0.859 193 D CB 1.862 42.653 40.800 -0.014 0.000 1.067 193 D HN 0.078 nan 8.370 nan 0.000 0.484 194 P HA -0.060 nan 4.420 nan 0.000 0.230 194 P C 1.134 178.515 177.300 0.134 0.000 1.158 194 P CA 0.653 63.812 63.100 0.098 0.000 0.769 194 P CB 0.144 31.884 31.700 0.067 0.000 0.807 195 M N -1.366 118.229 119.600 -0.009 0.000 2.563 195 M HA 0.107 4.593 4.480 0.010 0.000 0.231 195 M C 0.568 176.427 176.300 -0.735 0.000 1.136 195 M CA 0.531 55.721 55.300 -0.184 0.000 1.026 195 M CB 0.062 32.597 32.600 -0.108 0.000 1.597 195 M HN -0.176 nan 8.290 nan 0.000 0.495 196 S N 1.055 116.502 115.700 -0.423 0.000 2.356 196 S HA 0.410 4.886 4.470 0.010 0.000 0.171 196 S C -0.985 173.609 174.600 -0.009 0.000 1.399 196 S CA -0.485 57.491 58.200 -0.373 0.000 1.225 196 S CB 0.547 63.626 63.200 -0.203 0.000 1.271 196 S HN 0.025 nan 8.310 nan 0.000 0.427 197 V N 3.701 123.806 119.914 0.318 0.000 2.409 197 V HA 0.551 4.677 4.120 0.010 0.000 0.291 197 V C 0.116 176.441 176.094 0.385 0.000 1.020 197 V CA -0.476 62.045 62.300 0.369 0.000 0.848 197 V CB 1.785 33.849 31.823 0.402 0.000 0.990 197 V HN 0.680 nan 8.190 nan 0.000 0.430 198 T N 6.600 121.320 114.554 0.276 0.000 2.770 198 T HA 0.585 4.941 4.350 0.010 0.000 0.283 198 T C -0.183 174.705 174.700 0.314 0.000 0.988 198 T CA -0.313 61.960 62.100 0.288 0.000 0.957 198 T CB 0.761 69.741 68.868 0.186 0.000 0.930 198 T HN 0.359 nan 8.240 nan 0.000 0.443 199 L N 4.947 126.325 121.223 0.258 0.000 2.371 199 L HA 0.669 5.015 4.340 0.010 0.000 0.272 199 L C -0.293 176.811 176.870 0.389 0.000 1.124 199 L CA -0.752 54.185 54.840 0.162 0.000 0.816 199 L CB 0.262 42.181 42.059 -0.233 0.000 1.129 199 L HN 0.617 nan 8.230 nan 0.000 0.448 200 F N 0.215 120.256 119.950 0.152 0.000 2.626 200 F HA 0.968 5.500 4.527 0.009 0.000 0.311 200 F C -0.316 175.520 175.800 0.060 0.000 1.088 200 F CA -1.450 56.699 58.000 0.247 0.000 0.949 200 F CB 1.716 41.008 39.000 0.487 0.000 1.322 200 F HN 0.490 nan 8.300 nan 0.000 0.461 201 G N 1.066 109.788 108.800 -0.131 0.000 2.616 201 G HA2 0.469 4.435 3.960 0.010 0.000 0.294 201 G HA3 0.469 4.435 3.960 0.010 0.000 0.294 201 G C -2.635 172.067 174.900 -0.331 0.000 1.489 201 G CA -0.788 43.795 45.100 -0.860 0.000 0.836 201 G HN 0.888 nan 8.290 nan 0.000 0.527 202 E N 0.752 120.698 120.200 -0.422 0.000 2.256 202 E HA 0.664 5.019 4.350 0.010 0.000 0.267 202 E C 0.777 177.318 176.600 -0.099 0.000 0.892 202 E CA 0.359 56.759 56.400 -0.001 0.000 0.775 202 E CB 2.193 32.068 29.700 0.291 0.000 1.207 202 E HN 1.071 nan 8.360 nan 0.000 0.420 203 S N 3.080 118.794 115.700 0.024 0.000 4.139 203 S HA -0.403 4.073 4.470 0.010 0.000 0.603 203 S C 1.488 176.183 174.600 0.158 0.000 1.897 203 S CA 2.470 60.756 58.200 0.144 0.000 4.241 203 S CB -1.662 61.538 63.200 -0.000 0.000 0.221 203 S HN 1.001 nan 8.310 nan 0.000 0.488 204 A N 1.267 123.994 122.820 -0.154 0.000 2.070 204 A HA 0.252 4.577 4.320 0.010 0.000 0.220 204 A C 2.454 179.732 177.584 -0.511 0.000 1.159 204 A CA 2.194 53.919 52.037 -0.520 0.000 0.656 204 A CB -1.497 16.711 19.000 -1.321 0.000 0.800 204 A HN 1.529 nan 8.150 nan 0.000 0.453 205 G N -0.486 108.067 108.800 -0.412 0.000 2.394 205 G HA2 0.078 4.044 3.960 0.010 0.000 0.214 205 G HA3 0.078 4.044 3.960 0.010 0.000 0.214 205 G C 1.760 176.458 174.900 -0.338 0.000 1.176 205 G CA 1.153 45.944 45.100 -0.514 0.000 0.786 205 G HN 0.717 nan 8.290 nan 0.000 0.533 206 A N 1.318 124.024 122.820 -0.190 0.000 1.908 206 A HA 0.176 4.502 4.320 0.010 0.000 0.218 206 A C 2.811 180.373 177.584 -0.037 0.000 1.181 206 A CA 2.469 54.475 52.037 -0.052 0.000 0.627 206 A CB -0.856 18.182 19.000 0.064 0.000 0.818 206 A HN 0.804 nan 8.150 nan 0.000 0.445 207 A N -0.677 122.145 122.820 0.002 0.000 1.902 207 A HA -0.064 4.262 4.320 0.010 0.000 0.217 207 A C 2.446 180.030 177.584 -0.001 0.000 1.181 207 A CA 2.076 54.109 52.037 -0.006 0.000 0.623 207 A CB -0.874 18.153 19.000 0.046 0.000 0.818 207 A HN 0.466 nan 8.150 nan 0.000 0.443 208 S N -0.451 115.237 115.700 -0.020 0.000 2.368 208 S HA -0.127 4.348 4.470 0.010 0.000 0.225 208 S C 1.887 176.427 174.600 -0.100 0.000 1.030 208 S CA 1.351 59.499 58.200 -0.088 0.000 0.999 208 S CB -0.479 62.587 63.200 -0.224 0.000 0.844 208 S HN 0.334 nan 8.310 nan 0.000 0.459 209 V N 1.703 121.571 119.914 -0.076 0.000 2.287 209 V HA -0.176 3.949 4.120 0.010 0.000 0.248 209 V C 2.618 178.698 176.094 -0.024 0.000 1.053 209 V CA 2.041 64.310 62.300 -0.052 0.000 1.027 209 V CB -1.436 30.335 31.823 -0.087 0.000 0.646 209 V HN 0.599 nan 8.190 nan 0.000 0.447 210 G N -1.216 107.566 108.800 -0.030 0.000 2.432 210 G HA2 -0.273 3.693 3.960 0.010 0.000 0.219 210 G HA3 -0.273 3.693 3.960 0.010 0.000 0.219 210 G C 1.618 176.526 174.900 0.012 0.000 1.135 210 G CA 0.966 46.054 45.100 -0.020 0.000 0.767 210 G HN 0.442 nan 8.290 nan 0.000 0.550 211 M N -0.168 119.418 119.600 -0.024 0.000 2.296 211 M HA 0.037 4.523 4.480 0.010 0.000 0.265 211 M C 2.262 178.628 176.300 0.110 0.000 1.064 211 M CA 0.811 56.129 55.300 0.029 0.000 1.109 211 M CB -0.117 32.463 32.600 -0.033 0.000 1.396 211 M HN 0.219 nan 8.290 nan 0.000 0.430 212 H N -0.334 118.844 119.070 0.180 0.000 2.395 212 H HA 0.005 4.566 4.556 0.009 0.000 0.299 212 H C 2.129 177.674 175.328 0.362 0.000 1.070 212 H CA 1.413 57.574 56.048 0.189 0.000 1.356 212 H CB -0.320 29.386 29.762 -0.095 0.000 1.401 212 H HN 0.395 nan 8.280 nan 0.000 0.524 213 I N 0.792 121.642 120.570 0.465 0.000 2.248 213 I HA -0.269 3.907 4.170 0.010 0.000 0.248 213 I C 1.988 178.309 176.117 0.341 0.000 1.107 213 I CA 1.230 62.827 61.300 0.495 0.000 1.373 213 I CB -0.133 38.030 38.000 0.272 0.000 1.055 213 I HN 0.122 nan 8.210 nan 0.000 0.418 214 L N -0.997 120.368 121.223 0.237 0.000 2.567 214 L HA 0.092 4.438 4.340 0.010 0.000 0.225 214 L C 0.975 177.904 176.870 0.098 0.000 1.119 214 L CA 0.040 55.000 54.840 0.199 0.000 0.871 214 L CB 0.053 42.199 42.059 0.144 0.000 1.036 214 L HN 0.028 nan 8.230 nan 0.000 0.459 215 S N -0.140 115.580 115.700 0.033 0.000 2.498 215 S HA 0.226 4.702 4.470 0.010 0.000 0.324 215 S C 0.732 175.247 174.600 -0.143 0.000 1.071 215 S CA -0.609 57.471 58.200 -0.201 0.000 1.113 215 S CB 1.148 63.889 63.200 -0.764 0.000 0.976 215 S HN 0.110 nan 8.310 nan 0.000 0.462 216 L N 7.548 128.702 121.223 -0.114 0.000 1.991 216 L HA -0.002 4.344 4.340 0.010 0.000 0.221 216 L C -1.027 175.799 176.870 -0.074 0.000 1.079 216 L CA 2.412 57.206 54.840 -0.076 0.000 0.778 216 L CB -1.258 40.757 42.059 -0.072 0.000 0.893 216 L HN 0.499 nan 8.230 nan 0.000 0.437 217 P HA -0.108 nan 4.420 nan 0.000 0.222 217 P C 1.588 178.886 177.300 -0.003 0.000 1.142 217 P CA 1.451 64.515 63.100 -0.060 0.000 0.788 217 P CB -0.009 31.646 31.700 -0.075 0.000 0.767 218 S N -1.337 114.381 115.700 0.031 0.000 2.470 218 S HA 0.034 4.510 4.470 0.010 0.000 0.225 218 S C 1.825 176.568 174.600 0.238 0.000 1.006 218 S CA 0.360 58.687 58.200 0.211 0.000 0.934 218 S CB -0.291 63.171 63.200 0.437 0.000 0.778 218 S HN 0.080 nan 8.310 nan 0.000 0.517 219 R N 1.959 122.494 120.500 0.058 0.000 2.115 219 R HA 0.017 4.363 4.340 0.010 0.000 0.230 219 R C 2.266 178.354 176.300 -0.353 0.000 1.111 219 R CA 1.346 57.333 56.100 -0.189 0.000 0.976 219 R CB -1.030 29.186 30.300 -0.140 0.000 0.870 219 R HN 0.548 nan 8.270 nan 0.000 0.445 220 S N -0.054 115.538 115.700 -0.180 0.000 2.607 220 S HA 0.065 4.540 4.470 0.010 0.000 0.224 220 S C 1.751 176.242 174.600 -0.182 0.000 0.969 220 S CA 0.298 58.386 58.200 -0.187 0.000 0.927 220 S CB -0.174 62.971 63.200 -0.091 0.000 0.772 220 S HN 0.209 nan 8.310 nan 0.000 0.533 221 L N 0.118 121.283 121.223 -0.096 0.000 2.616 221 L HA 0.452 4.798 4.340 0.010 0.000 0.229 221 L C 0.180 177.110 176.870 0.101 0.000 1.110 221 L CA -0.206 54.658 54.840 0.041 0.000 0.884 221 L CB -0.030 42.111 42.059 0.137 0.000 1.115 221 L HN 0.515 nan 8.230 nan 0.000 0.481 222 F N -4.174 115.609 119.950 -0.279 0.000 2.711 222 F HA 0.461 4.993 4.527 0.009 0.000 0.313 222 F C 0.415 175.932 175.800 -0.473 0.000 1.141 222 F CA -1.043 56.810 58.000 -0.245 0.000 0.941 222 F CB 0.817 39.796 39.000 -0.035 0.000 1.349 222 F HN -0.149 nan 8.300 nan 0.000 0.464 223 H N -0.775 118.311 119.070 0.026 0.000 3.400 223 H HA 0.449 5.010 4.556 0.009 0.000 0.251 223 H C -0.127 175.196 175.328 -0.009 0.000 1.040 223 H CA -0.093 55.895 56.048 -0.100 0.000 1.175 223 H CB 1.182 30.912 29.762 -0.055 0.000 1.487 223 H HN 0.437 nan 8.280 nan 0.000 0.505 224 R N 0.233 120.921 120.500 0.313 0.000 2.764 224 R HA 0.704 5.050 4.340 0.010 0.000 0.270 224 R C -1.564 175.046 176.300 0.516 0.000 1.014 224 R CA -0.641 55.634 56.100 0.292 0.000 0.904 224 R CB 2.885 33.148 30.300 -0.062 0.000 1.236 224 R HN 0.144 nan 8.270 nan 0.000 0.466 225 A N 1.135 124.282 122.820 0.546 0.000 2.459 225 A HA 0.608 4.934 4.320 0.010 0.000 0.296 225 A C -1.478 176.289 177.584 0.305 0.000 1.039 225 A CA -0.570 51.706 52.037 0.398 0.000 0.698 225 A CB 1.747 20.954 19.000 0.346 0.000 1.261 225 A HN 0.300 nan 8.150 nan 0.000 0.405 226 V N 2.668 122.715 119.914 0.221 0.000 2.448 226 V HA 0.505 4.631 4.120 0.010 0.000 0.295 226 V C -0.965 175.230 176.094 0.169 0.000 1.025 226 V CA -0.377 61.968 62.300 0.076 0.000 0.859 226 V CB 1.243 33.109 31.823 0.072 0.000 0.988 226 V HN 0.690 nan 8.190 nan 0.000 0.431 227 L N 5.251 126.541 121.223 0.111 0.000 2.295 227 L HA 0.500 4.846 4.340 0.010 0.000 0.281 227 L C 0.047 177.036 176.870 0.198 0.000 1.018 227 L CA 0.087 54.996 54.840 0.115 0.000 0.841 227 L CB 1.416 43.492 42.059 0.029 0.000 1.218 227 L HN 0.618 nan 8.230 nan 0.000 0.424 228 Q N 2.020 121.997 119.800 0.295 0.000 2.368 228 Q HA 0.433 4.778 4.340 0.010 0.000 0.256 228 Q C 0.106 176.259 176.000 0.255 0.000 0.980 228 Q CA -0.434 55.612 55.803 0.404 0.000 0.887 228 Q CB 1.124 30.207 28.738 0.574 0.000 1.221 228 Q HN 0.635 nan 8.270 nan 0.000 0.458 229 S N 1.233 117.060 115.700 0.211 0.000 3.706 229 S HA -0.140 4.336 4.470 0.010 0.000 0.363 229 S C -0.047 174.758 174.600 0.341 0.000 0.999 229 S CA 0.488 58.838 58.200 0.250 0.000 1.143 229 S CB -1.173 62.152 63.200 0.209 0.000 0.902 229 S HN 1.012 nan 8.310 nan 0.000 0.476 230 G N -0.401 108.560 108.800 0.267 0.000 2.442 230 G HA2 0.606 4.572 3.960 0.010 0.000 0.296 230 G HA3 0.606 4.572 3.960 0.010 0.000 0.296 230 G C -0.930 174.044 174.900 0.122 0.000 1.564 230 G CA 0.277 45.597 45.100 0.367 0.000 0.828 230 G HN 1.126 nan 8.290 nan 0.000 0.571 231 T N -1.286 113.263 114.554 -0.009 0.000 2.853 231 T HA 0.761 5.117 4.350 0.010 0.000 0.311 231 T C -2.461 172.074 174.700 -0.275 0.000 1.307 231 T CA -1.178 60.839 62.100 -0.137 0.000 1.019 231 T CB 3.052 71.828 68.868 -0.154 0.000 1.264 231 T HN 0.304 nan 8.240 nan 0.000 0.497 232 P HA 0.024 nan 4.420 nan 0.000 0.224 232 P C 0.223 177.354 177.300 -0.282 0.000 1.157 232 P CA 0.543 63.506 63.100 -0.229 0.000 0.799 232 P CB -0.039 31.585 31.700 -0.126 0.000 0.809 233 N N 0.596 119.147 118.700 -0.249 0.000 2.379 233 N HA 0.346 5.092 4.740 0.010 0.000 0.260 233 N C 0.745 176.046 175.510 -0.349 0.000 1.254 233 N CA 0.409 53.316 53.050 -0.238 0.000 0.958 233 N CB 0.224 38.614 38.487 -0.163 0.000 1.208 233 N HN 0.180 nan 8.380 nan 0.000 0.532 234 G N -1.010 107.605 108.800 -0.307 0.000 2.541 234 G HA2 -0.099 3.867 3.960 0.010 0.000 0.686 234 G HA3 -0.099 3.867 3.960 0.010 0.000 0.686 234 G C -2.423 172.238 174.900 -0.399 0.000 1.286 234 G CA -0.253 44.611 45.100 -0.393 0.000 0.894 234 G HN 0.546 nan 8.290 nan 0.000 0.575 235 P HA 0.154 nan 4.420 nan 0.000 0.251 235 P C 1.275 178.513 177.300 -0.103 0.000 1.223 235 P CA 1.648 64.614 63.100 -0.224 0.000 0.796 235 P CB -0.029 31.502 31.700 -0.281 0.000 1.068 236 W N -1.897 119.315 121.300 -0.147 0.000 2.773 236 W HA 0.551 5.216 4.660 0.008 0.000 0.297 236 W C 0.957 177.551 176.519 0.125 0.000 1.050 236 W CA 0.435 57.781 57.345 0.003 0.000 1.467 236 W CB -0.707 28.820 29.460 0.111 0.000 0.977 236 W HN -0.176 nan 8.180 nan 0.000 0.573 237 A N 2.037 124.461 122.820 -0.660 0.000 2.119 237 A HA 0.139 4.465 4.320 0.010 0.000 0.216 237 A C 1.150 178.542 177.584 -0.321 0.000 1.152 237 A CA 1.868 53.568 52.037 -0.561 0.000 0.708 237 A CB -0.756 17.702 19.000 -0.903 0.000 0.805 237 A HN 0.258 nan 8.150 nan 0.000 0.460 238 T N -3.565 110.835 114.554 -0.256 0.000 2.841 238 T HA 0.630 4.985 4.350 0.010 0.000 0.296 238 T C -0.689 173.928 174.700 -0.138 0.000 1.166 238 T CA -0.118 61.850 62.100 -0.220 0.000 1.007 238 T CB 1.446 70.200 68.868 -0.191 0.000 1.253 238 T HN 0.899 nan 8.240 nan 0.000 0.511 239 V N -1.485 118.358 119.914 -0.117 0.000 3.078 239 V HA 0.867 4.993 4.120 0.010 0.000 0.311 239 V C 0.180 176.235 176.094 -0.066 0.000 1.138 239 V CA -1.014 61.234 62.300 -0.085 0.000 1.007 239 V CB 1.345 33.118 31.823 -0.084 0.000 1.045 239 V HN 1.360 nan 8.190 nan 0.000 0.432 240 S N 1.712 117.379 115.700 -0.056 0.000 2.589 240 S HA 0.547 5.023 4.470 0.010 0.000 0.265 240 S C 1.454 176.037 174.600 -0.029 0.000 1.342 240 S CA 0.093 58.269 58.200 -0.040 0.000 1.005 240 S CB 1.146 64.323 63.200 -0.039 0.000 0.909 240 S HN 1.943 nan 8.310 nan 0.000 0.555 241 A N 2.261 125.070 122.820 -0.018 0.000 1.883 241 A HA 0.055 4.381 4.320 0.010 0.000 0.217 241 A C 2.259 179.836 177.584 -0.013 0.000 1.186 241 A CA 1.908 53.941 52.037 -0.008 0.000 0.624 241 A CB -1.906 17.093 19.000 -0.002 0.000 0.822 241 A HN 1.143 nan 8.150 nan 0.000 0.444 242 G N -0.450 108.339 108.800 -0.019 0.000 2.459 242 G HA2 -0.302 3.664 3.960 0.010 0.000 0.217 242 G HA3 -0.302 3.664 3.960 0.010 0.000 0.217 242 G C 1.487 176.369 174.900 -0.030 0.000 1.183 242 G CA 1.509 46.596 45.100 -0.023 0.000 0.776 242 G HN 0.597 nan 8.290 nan 0.000 0.552 243 E N 0.960 121.136 120.200 -0.040 0.000 2.072 243 E HA 0.072 4.427 4.350 0.010 0.000 0.191 243 E C 2.677 179.243 176.600 -0.058 0.000 0.985 243 E CA 1.456 57.823 56.400 -0.056 0.000 0.801 243 E CB -0.617 29.041 29.700 -0.070 0.000 0.750 243 E HN 0.288 nan 8.360 nan 0.000 0.452 244 A N 1.067 123.865 122.820 -0.037 0.000 1.883 244 A HA -0.247 4.079 4.320 0.010 0.000 0.217 244 A C 2.314 179.909 177.584 0.019 0.000 1.186 244 A CA 2.029 54.065 52.037 -0.002 0.000 0.624 244 A CB -0.728 18.289 19.000 0.027 0.000 0.822 244 A HN 0.313 nan 8.150 nan 0.000 0.444 245 R N -0.685 119.816 120.500 0.002 0.000 2.091 245 R HA -0.144 4.202 4.340 0.010 0.000 0.238 245 R C 2.455 178.753 176.300 -0.004 0.000 1.136 245 R CA 1.692 57.792 56.100 -0.001 0.000 0.959 245 R CB -0.329 29.965 30.300 -0.009 0.000 0.856 245 R HN 0.512 nan 8.270 nan 0.000 0.437 246 R N 0.331 120.819 120.500 -0.019 0.000 2.073 246 R HA -0.115 4.231 4.340 0.010 0.000 0.234 246 R C 2.291 178.578 176.300 -0.023 0.000 1.134 246 R CA 1.872 57.956 56.100 -0.027 0.000 0.952 246 R CB -0.083 30.190 30.300 -0.044 0.000 0.850 246 R HN 0.297 nan 8.270 nan 0.000 0.433 247 R N -0.384 120.092 120.500 -0.041 0.000 2.092 247 R HA -0.044 4.301 4.340 0.010 0.000 0.231 247 R C 2.296 178.684 176.300 0.145 0.000 1.119 247 R CA 1.243 57.311 56.100 -0.053 0.000 0.970 247 R CB -0.272 29.850 30.300 -0.297 0.000 0.864 247 R HN 0.216 nan 8.270 nan 0.000 0.440 248 A N 0.798 123.730 122.820 0.187 0.000 1.898 248 A HA -0.174 4.152 4.320 0.010 0.000 0.216 248 A C 2.314 179.927 177.584 0.048 0.000 1.181 248 A CA 1.987 54.127 52.037 0.172 0.000 0.620 248 A CB -0.843 18.186 19.000 0.047 0.000 0.819 248 A HN 0.467 nan 8.150 nan 0.000 0.442 249 T N -1.739 112.828 114.554 0.021 0.000 2.857 249 T HA -0.108 4.248 4.350 0.010 0.000 0.266 249 T C 1.815 176.518 174.700 0.005 0.000 1.048 249 T CA 1.485 63.581 62.100 -0.006 0.000 1.139 249 T CB -0.434 68.425 68.868 -0.015 0.000 0.874 249 T HN 0.194 nan 8.240 nan 0.000 0.455 250 L N 1.087 122.323 121.223 0.021 0.000 1.989 250 L HA 0.114 4.460 4.340 0.010 0.000 0.211 250 L C 2.414 179.311 176.870 0.044 0.000 1.071 250 L CA 1.950 56.803 54.840 0.022 0.000 0.749 250 L CB -1.387 40.681 42.059 0.015 0.000 0.890 250 L HN 0.428 nan 8.230 nan 0.000 0.431 251 L N -0.100 121.188 121.223 0.108 0.000 2.013 251 L HA -0.176 4.170 4.340 0.010 0.000 0.212 251 L C 2.518 179.399 176.870 0.019 0.000 1.073 251 L CA 2.267 57.184 54.840 0.128 0.000 0.753 251 L CB -1.021 41.180 42.059 0.237 0.000 0.890 251 L HN 0.317 nan 8.230 nan 0.000 0.432 252 A N -0.341 122.474 122.820 -0.008 0.000 1.873 252 A HA -0.304 4.022 4.320 0.010 0.000 0.218 252 A C 2.441 180.000 177.584 -0.043 0.000 1.193 252 A CA 2.241 54.255 52.037 -0.039 0.000 0.629 252 A CB -0.743 18.228 19.000 -0.047 0.000 0.826 252 A HN 0.531 nan 8.150 nan 0.000 0.447 253 R N -0.755 119.726 120.500 -0.032 0.000 2.094 253 R HA -0.142 4.204 4.340 0.010 0.000 0.239 253 R C 2.122 178.380 176.300 -0.071 0.000 1.137 253 R CA 1.825 57.902 56.100 -0.039 0.000 0.943 253 R CB -0.599 29.686 30.300 -0.025 0.000 0.850 253 R HN 0.576 nan 8.270 nan 0.000 0.433 254 L N 0.459 121.630 121.223 -0.087 0.000 2.187 254 L HA -0.142 4.204 4.340 0.010 0.000 0.213 254 L C 2.086 178.719 176.870 -0.395 0.000 1.100 254 L CA 0.949 55.672 54.840 -0.194 0.000 0.765 254 L CB -0.311 41.669 42.059 -0.132 0.000 0.904 254 L HN 0.221 nan 8.230 nan 0.000 0.437 255 V N -4.531 115.216 119.914 -0.277 0.000 3.621 255 V HA 0.519 4.645 4.120 0.010 0.000 0.285 255 V C 1.214 177.249 176.094 -0.099 0.000 1.346 255 V CA 0.416 62.575 62.300 -0.236 0.000 1.104 255 V CB 0.171 31.931 31.823 -0.104 0.000 0.913 255 V HN 0.441 nan 8.190 nan 0.000 0.432 256 G N -0.685 108.067 108.800 -0.080 0.000 2.175 256 G HA2 -0.180 3.786 3.960 0.010 0.000 0.182 256 G HA3 -0.180 3.786 3.960 0.010 0.000 0.182 256 G C 0.040 174.925 174.900 -0.025 0.000 1.003 256 G CA -0.100 44.976 45.100 -0.040 0.000 0.666 256 G HN 0.683 nan 8.290 nan 0.000 0.506 266 D N -0.050 120.344 120.400 -0.010 0.000 2.149 266 D HA -0.020 4.625 4.640 0.010 0.000 0.201 266 D C 1.080 177.372 176.300 -0.013 0.000 0.972 266 D CA 2.202 56.191 54.000 -0.018 0.000 0.835 266 D CB -0.328 40.462 40.800 -0.016 0.000 0.966 266 D HN 0.726 nan 8.370 nan 0.000 0.476 267 T N 0.867 115.421 114.554 -0.001 0.000 2.684 267 T HA -0.153 4.203 4.350 0.010 0.000 0.267 267 T C 1.752 176.458 174.700 0.011 0.000 1.036 267 T CA 1.090 63.196 62.100 0.010 0.000 1.148 267 T CB -0.315 68.561 68.868 0.014 0.000 0.863 267 T HN 0.265 nan 8.240 nan 0.000 0.436 268 E N 0.481 120.685 120.200 0.005 0.000 2.160 268 E HA -0.101 4.255 4.350 0.010 0.000 0.195 268 E C 2.139 178.742 176.600 0.004 0.000 0.991 268 E CA 0.841 57.245 56.400 0.006 0.000 0.810 268 E CB -0.212 29.489 29.700 0.002 0.000 0.742 268 E HN 0.407 nan 8.360 nan 0.000 0.466 269 L N 0.200 121.418 121.223 -0.009 0.000 2.102 269 L HA -0.062 4.283 4.340 0.010 0.000 0.202 269 L C 2.151 179.003 176.870 -0.030 0.000 1.076 269 L CA 0.656 55.482 54.840 -0.023 0.000 0.761 269 L CB 0.041 42.076 42.059 -0.040 0.000 0.921 269 L HN 0.043 nan 8.230 nan 0.000 0.444 270 I N 0.329 120.879 120.570 -0.034 0.000 2.179 270 I HA -0.270 3.905 4.170 0.010 0.000 0.242 270 I C 2.759 178.935 176.117 0.098 0.000 1.088 270 I CA 1.331 62.626 61.300 -0.009 0.000 1.357 270 I CB -0.604 37.396 38.000 0.001 0.000 1.051 270 I HN 0.298 nan 8.210 nan 0.000 0.409 271 A N -0.462 122.399 122.820 0.068 0.000 1.948 271 A HA -0.329 3.997 4.320 0.010 0.000 0.220 271 A C 2.526 180.150 177.584 0.067 0.000 1.177 271 A CA 2.195 54.273 52.037 0.069 0.000 0.636 271 A CB -1.466 17.559 19.000 0.043 0.000 0.815 271 A HN 0.650 nan 8.150 nan 0.000 0.449 272 c N -0.714 117.915 118.600 0.048 0.000 2.466 272 c HA 0.065 4.641 4.570 0.010 0.000 0.278 272 c C 2.580 176.708 174.090 0.062 0.000 1.288 272 c CA 0.967 57.320 56.329 0.040 0.000 1.722 272 c CB -1.564 40.957 42.510 0.018 0.000 2.017 272 c HN 0.586 nan 8.230 nan 0.000 0.488 273 L N 0.409 121.681 121.223 0.081 0.000 2.127 273 L HA -0.139 4.207 4.340 0.010 0.000 0.211 273 L C 2.944 179.952 176.870 0.230 0.000 1.089 273 L CA 1.520 56.449 54.840 0.150 0.000 0.757 273 L CB -0.629 41.504 42.059 0.125 0.000 0.899 273 L HN 0.368 nan 8.230 nan 0.000 0.434 274 R N -0.677 119.953 120.500 0.217 0.000 2.236 274 R HA -0.078 4.268 4.340 0.010 0.000 0.208 274 R C 2.210 178.542 176.300 0.053 0.000 1.036 274 R CA 1.525 57.698 56.100 0.121 0.000 1.001 274 R CB -0.172 30.191 30.300 0.106 0.000 0.896 274 R HN 0.494 nan 8.270 nan 0.000 0.464 275 T N -1.581 113.008 114.554 0.058 0.000 3.088 275 T HA 0.113 4.468 4.350 0.010 0.000 0.259 275 T C 0.942 175.664 174.700 0.036 0.000 1.122 275 T CA -0.052 62.070 62.100 0.036 0.000 1.095 275 T CB 0.149 69.037 68.868 0.032 0.000 0.930 275 T HN -0.149 nan 8.240 nan 0.000 0.508 276 R N 3.162 123.692 120.500 0.051 0.000 2.389 276 R HA 0.330 4.676 4.340 0.010 0.000 0.295 276 R C -2.474 173.849 176.300 0.038 0.000 1.075 276 R CA -2.534 53.597 56.100 0.050 0.000 1.005 276 R CB 0.015 30.353 30.300 0.063 0.000 0.987 276 R HN 0.342 nan 8.270 nan 0.000 0.452 277 P HA 0.002 nan 4.420 nan 0.000 0.269 277 P C 0.225 177.505 177.300 -0.033 0.000 1.215 277 P CA 0.021 63.114 63.100 -0.012 0.000 0.780 277 P CB 0.596 32.296 31.700 0.000 0.000 0.898 278 A N 2.409 125.123 122.820 -0.177 0.000 1.892 278 A HA -0.281 4.044 4.320 0.010 0.000 0.218 278 A C 2.293 179.745 177.584 -0.220 0.000 1.188 278 A CA 2.262 54.126 52.037 -0.289 0.000 0.631 278 A CB -1.462 16.796 19.000 -1.236 0.000 0.822 278 A HN 0.548 nan 8.150 nan 0.000 0.447 279 Q N -0.277 119.357 119.800 -0.276 0.000 2.170 279 Q HA -0.177 4.169 4.340 0.010 0.000 0.203 279 Q C 1.606 177.693 176.000 0.145 0.000 0.976 279 Q CA 1.883 57.728 55.803 0.071 0.000 0.858 279 Q CB -0.396 28.438 28.738 0.159 0.000 0.907 279 Q HN 0.635 nan 8.270 nan 0.000 0.433 280 D N -0.813 119.661 120.400 0.122 0.000 2.144 280 D HA -0.121 4.525 4.640 0.010 0.000 0.199 280 D C 1.677 178.144 176.300 0.279 0.000 0.984 280 D CA 0.881 55.005 54.000 0.207 0.000 0.834 280 D CB 0.004 40.905 40.800 0.168 0.000 0.955 280 D HN 0.332 nan 8.370 nan 0.000 0.465 281 L N -0.359 120.969 121.223 0.175 0.000 2.056 281 L HA -0.113 4.232 4.340 0.010 0.000 0.207 281 L C 2.614 179.589 176.870 0.174 0.000 1.078 281 L CA 0.513 55.413 54.840 0.100 0.000 0.749 281 L CB -0.415 41.547 42.059 -0.163 0.000 0.901 281 L HN -0.040 nan 8.230 nan 0.000 0.433 282 V N -0.072 119.995 119.914 0.257 0.000 2.307 282 V HA -0.273 3.853 4.120 0.010 0.000 0.245 282 V C 1.998 178.242 176.094 0.252 0.000 1.045 282 V CA 1.853 64.355 62.300 0.336 0.000 1.024 282 V CB -0.534 31.579 31.823 0.484 0.000 0.651 282 V HN 0.418 nan 8.190 nan 0.000 0.449 283 D N -0.943 119.560 120.400 0.173 0.000 2.311 283 D HA -0.161 4.484 4.640 0.010 0.000 0.212 283 D C 1.780 178.002 176.300 -0.129 0.000 0.972 283 D CA 1.482 55.485 54.000 0.006 0.000 0.887 283 D CB -0.176 40.553 40.800 -0.119 0.000 0.915 283 D HN 0.656 nan 8.370 nan 0.000 0.497 284 H N -1.089 118.105 119.070 0.208 0.000 3.058 284 H HA 0.097 4.659 4.556 0.010 0.000 0.258 284 H C 1.777 177.228 175.328 0.205 0.000 1.015 284 H CA 0.252 56.457 56.048 0.262 0.000 1.210 284 H CB 0.540 30.444 29.762 0.238 0.000 1.481 284 H HN 0.200 nan 8.280 nan 0.000 0.492 285 E N 1.048 121.435 120.200 0.312 0.000 2.118 285 E HA -0.267 4.089 4.350 0.010 0.000 0.195 285 E C 1.732 178.516 176.600 0.305 0.000 0.992 285 E CA 1.063 57.721 56.400 0.429 0.000 0.804 285 E CB -0.556 29.429 29.700 0.476 0.000 0.741 285 E HN 0.609 nan 8.360 nan 0.000 0.458 286 W N 1.784 122.987 121.300 -0.162 0.000 2.342 286 W HA -0.177 4.489 4.660 0.009 0.000 0.297 286 W C 1.244 177.644 176.519 -0.199 0.000 1.213 286 W CA 1.277 58.439 57.345 -0.306 0.000 1.251 286 W CB -0.039 29.095 29.460 -0.545 0.000 1.136 286 W HN 0.255 nan 8.180 nan 0.000 0.526 287 H N -0.016 119.104 119.070 0.084 0.000 2.562 287 H HA -0.050 4.512 4.556 0.010 0.000 0.272 287 H C 1.882 177.166 175.328 -0.074 0.000 1.019 287 H CA 1.329 57.370 56.048 -0.011 0.000 1.160 287 H CB -0.781 29.056 29.762 0.125 0.000 1.334 287 H HN 0.246 nan 8.280 nan 0.000 0.611 288 V N -2.335 117.559 119.914 -0.033 0.000 3.621 288 V HA 0.216 4.341 4.120 0.010 0.000 0.285 288 V C 0.768 176.729 176.094 -0.222 0.000 1.346 288 V CA -0.151 62.095 62.300 -0.089 0.000 1.104 288 V CB -0.261 31.526 31.823 -0.059 0.000 0.913 288 V HN 0.001 nan 8.190 nan 0.000 0.432 289 L N 2.452 123.468 121.223 -0.345 0.000 2.416 289 L HA 0.274 4.620 4.340 0.010 0.000 0.272 289 L C -0.412 176.299 176.870 -0.265 0.000 1.161 289 L CA -1.094 53.515 54.840 -0.384 0.000 0.845 289 L CB 1.067 42.761 42.059 -0.607 0.000 1.119 289 L HN 0.145 nan 8.230 nan 0.000 0.464 290 P HA -0.107 nan 4.420 nan 0.000 0.218 290 P C -0.204 177.020 177.300 -0.128 0.000 1.149 290 P CA 1.189 64.203 63.100 -0.144 0.000 0.817 290 P CB 0.398 32.026 31.700 -0.121 0.000 0.785 291 Q N -1.289 118.422 119.800 -0.149 0.000 2.528 291 Q HA 0.341 4.687 4.340 0.010 0.000 0.289 291 Q C -0.517 175.397 176.000 -0.144 0.000 1.091 291 Q CA -0.786 54.947 55.803 -0.117 0.000 0.797 291 Q CB 1.199 29.887 28.738 -0.084 0.000 1.466 291 Q HN -0.041 nan 8.270 nan 0.000 0.436 292 E N 1.131 121.276 120.200 -0.092 0.000 2.328 292 E HA 0.266 4.622 4.350 0.010 0.000 0.265 292 E C -1.088 175.477 176.600 -0.059 0.000 1.057 292 E CA 0.039 56.399 56.400 -0.067 0.000 0.916 292 E CB 0.199 29.891 29.700 -0.014 0.000 0.993 292 E HN 0.575 nan 8.360 nan 0.000 0.446 293 S N 3.727 119.381 115.700 -0.077 0.000 2.579 293 S HA 0.652 5.128 4.470 0.010 0.000 0.272 293 S C -0.410 174.202 174.600 0.019 0.000 1.141 293 S CA -1.050 57.115 58.200 -0.057 0.000 0.843 293 S CB 0.947 64.070 63.200 -0.129 0.000 1.122 293 S HN 0.516 nan 8.310 nan 0.000 0.468 294 I N -2.594 118.002 120.570 0.043 0.000 2.846 294 I HA 0.793 4.968 4.170 0.010 0.000 0.307 294 I C -0.102 176.019 176.117 0.007 0.000 1.053 294 I CA -1.215 60.147 61.300 0.104 0.000 1.050 294 I CB 0.749 38.859 38.000 0.184 0.000 1.239 294 I HN 0.719 nan 8.210 nan 0.000 0.439 295 F N 1.259 121.035 119.950 -0.289 0.000 3.100 295 F HA -0.195 4.338 4.527 0.010 0.000 0.283 295 F C -0.053 175.177 175.800 -0.951 0.000 0.900 295 F CA 0.745 58.291 58.000 -0.757 0.000 1.010 295 F CB -0.662 37.859 39.000 -0.799 0.000 1.029 295 F HN 0.546 nan 8.300 nan 0.000 0.637 296 R N 0.279 120.337 120.500 -0.738 0.000 2.599 296 R HA 0.650 4.996 4.340 0.010 0.000 0.295 296 R C -0.868 174.979 176.300 -0.756 0.000 0.963 296 R CA -0.565 55.148 56.100 -0.644 0.000 0.883 296 R CB 1.199 31.309 30.300 -0.317 0.000 1.171 296 R HN 0.003 nan 8.270 nan 0.000 0.450 297 F N -0.822 119.227 119.950 0.165 0.000 2.563 297 F HA 0.355 4.888 4.527 0.009 0.000 0.316 297 F C 1.500 177.327 175.800 0.045 0.000 1.076 297 F CA -0.797 57.336 58.000 0.222 0.000 0.921 297 F CB 1.847 41.097 39.000 0.417 0.000 1.209 297 F HN 0.342 nan 8.300 nan 0.000 0.462 298 S N 0.695 116.487 115.700 0.154 0.000 2.387 298 S HA 0.061 4.537 4.470 0.010 0.000 0.226 298 S C -0.144 174.077 174.600 -0.632 0.000 1.026 298 S CA 1.058 59.077 58.200 -0.301 0.000 0.972 298 S CB -0.175 62.894 63.200 -0.218 0.000 0.814 298 S HN 0.368 nan 8.310 nan 0.000 0.477 299 F N 1.349 121.442 119.950 0.239 0.000 2.646 299 F HA 0.483 5.016 4.527 0.010 0.000 0.364 299 F C -0.163 175.715 175.800 0.129 0.000 1.137 299 F CA -1.079 57.050 58.000 0.215 0.000 1.085 299 F CB 1.280 40.449 39.000 0.281 0.000 1.331 299 F HN -0.144 nan 8.300 nan 0.000 0.472 300 V N 0.372 120.281 119.914 -0.007 0.000 3.155 300 V HA 0.772 4.898 4.120 0.010 0.000 0.313 300 V C -2.827 172.897 176.094 -0.617 0.000 1.162 300 V CA -3.463 58.469 62.300 -0.613 0.000 1.048 300 V CB 1.989 33.630 31.823 -0.303 0.000 1.092 300 V HN 0.231 nan 8.190 nan 0.000 0.447 301 P HA 0.065 nan 4.420 nan 0.000 0.263 301 P C -0.608 176.565 177.300 -0.211 0.000 1.168 301 P CA 0.651 63.494 63.100 -0.430 0.000 0.759 301 P CB 0.429 31.778 31.700 -0.585 0.000 0.782 302 V N 5.283 125.158 119.914 -0.066 0.000 2.547 302 V HA 0.220 4.345 4.120 0.010 0.000 0.299 302 V C -0.113 175.969 176.094 -0.019 0.000 1.040 302 V CA -0.773 61.507 62.300 -0.034 0.000 0.913 302 V CB 1.986 33.821 31.823 0.019 0.000 0.992 302 V HN 0.134 nan 8.190 nan 0.000 0.449 303 V N 7.446 127.346 119.914 -0.022 0.000 2.242 303 V HA 0.131 4.257 4.120 0.010 0.000 0.242 303 V C 0.936 177.042 176.094 0.020 0.000 1.240 303 V CA 0.365 62.666 62.300 0.001 0.000 1.211 303 V CB -0.266 31.547 31.823 -0.017 0.000 1.338 303 V HN 1.062 nan 8.190 nan 0.000 0.499 304 D N 2.307 122.735 120.400 0.047 0.000 2.355 304 D HA 0.061 4.707 4.640 0.010 0.000 0.218 304 D C 1.640 177.969 176.300 0.048 0.000 1.004 304 D CA 0.780 54.810 54.000 0.051 0.000 0.880 304 D CB 0.193 41.037 40.800 0.073 0.000 0.911 304 D HN 0.632 nan 8.370 nan 0.000 0.528 305 G N 0.582 109.410 108.800 0.048 0.000 2.168 305 G HA2 -0.343 3.622 3.960 0.010 0.000 0.263 305 G HA3 -0.343 3.622 3.960 0.010 0.000 0.263 305 G C 0.483 175.408 174.900 0.043 0.000 0.977 305 G CA 0.786 45.908 45.100 0.036 0.000 0.659 305 G HN 0.552 nan 8.290 nan 0.000 0.533 306 D N -1.470 118.973 120.400 0.072 0.000 3.074 306 D HA 0.237 4.882 4.640 0.010 0.000 0.227 306 D C 1.783 178.139 176.300 0.093 0.000 1.553 306 D CA 0.419 54.465 54.000 0.075 0.000 1.347 306 D CB -0.596 40.260 40.800 0.094 0.000 1.021 306 D HN 0.084 nan 8.370 nan 0.000 0.260 307 F N 1.091 121.053 119.950 0.021 0.000 2.095 307 F HA 0.138 4.670 4.527 0.009 0.000 0.298 307 F C 0.600 176.405 175.800 0.009 0.000 1.104 307 F CA 1.232 59.245 58.000 0.021 0.000 1.232 307 F CB 0.131 39.142 39.000 0.017 0.000 0.987 307 F HN -0.013 nan 8.300 nan 0.000 0.475 308 L N 0.712 122.106 121.223 0.286 0.000 2.294 308 L HA 0.197 4.542 4.340 0.010 0.000 0.283 308 L C 1.290 178.208 176.870 0.081 0.000 1.015 308 L CA -0.254 54.684 54.840 0.164 0.000 0.831 308 L CB 1.452 43.597 42.059 0.143 0.000 1.217 308 L HN 0.050 nan 8.230 nan 0.000 0.420 309 S N 0.254 115.979 115.700 0.041 0.000 2.481 309 S HA 0.022 4.498 4.470 0.010 0.000 0.231 309 S C 0.405 175.017 174.600 0.019 0.000 0.996 309 S CA 0.284 58.497 58.200 0.022 0.000 0.942 309 S CB 0.110 63.311 63.200 0.003 0.000 0.768 309 S HN 0.713 nan 8.310 nan 0.000 0.520 310 D N 0.300 120.714 120.400 0.023 0.000 2.713 310 D HA 0.249 4.895 4.640 0.010 0.000 0.306 310 D C -0.951 175.355 176.300 0.010 0.000 1.299 310 D CA -0.063 53.945 54.000 0.013 0.000 0.823 310 D CB 1.388 42.194 40.800 0.010 0.000 1.353 310 D HN 0.189 nan 8.370 nan 0.000 0.447 311 T N -0.561 113.991 114.554 -0.004 0.000 2.946 311 T HA 0.191 4.547 4.350 0.010 0.000 0.311 311 T C -1.789 172.903 174.700 -0.013 0.000 1.063 311 T CA -0.624 61.465 62.100 -0.020 0.000 1.139 311 T CB 0.903 69.753 68.868 -0.031 0.000 0.994 311 T HN 0.113 nan 8.240 nan 0.000 0.547 312 P HA -0.156 nan 4.420 nan 0.000 0.217 312 P C 1.495 178.782 177.300 -0.022 0.000 1.151 312 P CA 1.201 64.283 63.100 -0.030 0.000 0.849 312 P CB 0.083 31.731 31.700 -0.087 0.000 0.787 313 E N -0.336 119.842 120.200 -0.037 0.000 2.038 313 E HA -0.236 4.120 4.350 0.010 0.000 0.195 313 E C 1.942 178.547 176.600 0.008 0.000 1.000 313 E CA 1.477 57.863 56.400 -0.023 0.000 0.803 313 E CB -0.541 29.139 29.700 -0.033 0.000 0.750 313 E HN 0.080 nan 8.360 nan 0.000 0.448 314 A N 1.139 123.963 122.820 0.008 0.000 1.908 314 A HA -0.164 4.161 4.320 0.010 0.000 0.218 314 A C 2.272 179.884 177.584 0.047 0.000 1.181 314 A CA 1.350 53.399 52.037 0.020 0.000 0.627 314 A CB -0.685 18.320 19.000 0.009 0.000 0.818 314 A HN 0.314 nan 8.150 nan 0.000 0.445 315 L N -0.068 121.193 121.223 0.062 0.000 2.056 315 L HA -0.157 4.189 4.340 0.010 0.000 0.207 315 L C 2.668 179.682 176.870 0.241 0.000 1.078 315 L CA 1.626 56.538 54.840 0.120 0.000 0.749 315 L CB -0.727 41.403 42.059 0.119 0.000 0.901 315 L HN 0.677 nan 8.230 nan 0.000 0.433 316 I N -2.158 118.522 120.570 0.183 0.000 2.315 316 I HA -0.191 3.984 4.170 0.010 0.000 0.248 316 I C 1.862 178.116 176.117 0.227 0.000 1.117 316 I CA 1.572 62.999 61.300 0.213 0.000 1.404 316 I CB -0.513 37.490 38.000 0.004 0.000 1.071 316 I HN 0.197 nan 8.210 nan 0.000 0.419 317 N N 0.996 119.769 118.700 0.123 0.000 2.459 317 N HA -0.098 4.648 4.740 0.010 0.000 0.181 317 N C 1.734 177.297 175.510 0.088 0.000 1.046 317 N CA 1.881 54.986 53.050 0.092 0.000 0.904 317 N CB -0.209 38.308 38.487 0.050 0.000 0.964 317 N HN 0.756 nan 8.380 nan 0.000 0.444 318 T N -4.641 109.966 114.554 0.087 0.000 2.980 318 T HA 0.246 4.602 4.350 0.010 0.000 0.252 318 T C 1.067 175.738 174.700 -0.048 0.000 0.962 318 T CA -0.071 62.043 62.100 0.023 0.000 0.932 318 T CB -0.259 68.611 68.868 0.003 0.000 1.188 318 T HN 0.026 nan 8.240 nan 0.000 0.500 319 G N 1.921 110.681 108.800 -0.066 0.000 2.484 319 G HA2 0.352 4.317 3.960 0.010 0.000 0.235 319 G HA3 0.352 4.317 3.960 0.010 0.000 0.235 319 G C -0.701 173.710 174.900 -0.816 0.000 1.282 319 G CA -0.186 44.626 45.100 -0.481 0.000 0.857 319 G HN 0.402 nan 8.290 nan 0.000 0.571 320 D N 0.848 120.781 120.400 -0.780 0.000 2.280 320 D HA 0.276 4.922 4.640 0.010 0.000 0.243 320 D C -0.408 175.426 176.300 -0.777 0.000 1.129 320 D CA -0.682 52.991 54.000 -0.544 0.000 0.848 320 D CB 0.661 41.294 40.800 -0.278 0.000 1.107 320 D HN 0.124 nan 8.370 nan 0.000 0.471 321 F N 2.523 122.477 119.950 0.007 0.000 2.850 321 F HA 0.202 4.735 4.527 0.010 0.000 0.329 321 F C 1.839 177.645 175.800 0.010 0.000 1.182 321 F CA -0.566 57.441 58.000 0.011 0.000 1.270 321 F CB 0.311 39.328 39.000 0.028 0.000 0.979 321 F HN 0.302 nan 8.300 nan 0.000 0.506 322 Q N 0.987 120.827 119.800 0.067 0.000 2.062 322 Q HA -0.245 4.101 4.340 0.010 0.000 0.209 322 Q C 1.013 177.047 176.000 0.056 0.000 0.996 322 Q CA 2.003 57.834 55.803 0.047 0.000 0.859 322 Q CB -0.177 28.561 28.738 -0.000 0.000 0.920 322 Q HN 0.344 nan 8.270 nan 0.000 0.415 323 D N -1.053 119.372 120.400 0.042 0.000 2.434 323 D HA 0.175 4.821 4.640 0.010 0.000 0.232 323 D C -1.245 175.081 176.300 0.043 0.000 1.166 323 D CA -0.040 53.976 54.000 0.026 0.000 0.830 323 D CB 0.266 41.062 40.800 -0.008 0.000 0.960 323 D HN 0.026 nan 8.370 nan 0.000 0.497 324 L N 0.957 122.237 121.223 0.094 0.000 2.356 324 L HA 0.452 4.798 4.340 0.010 0.000 0.277 324 L C -1.256 175.699 176.870 0.140 0.000 0.996 324 L CA -0.586 54.326 54.840 0.120 0.000 0.822 324 L CB 1.803 43.973 42.059 0.185 0.000 1.256 324 L HN -0.197 nan 8.230 nan 0.000 0.413 325 Q N 3.600 123.494 119.800 0.157 0.000 2.307 325 Q HA 0.706 5.052 4.340 0.010 0.000 0.262 325 Q C -1.263 175.032 176.000 0.492 0.000 0.961 325 Q CA -0.364 55.597 55.803 0.263 0.000 0.882 325 Q CB 2.249 31.066 28.738 0.132 0.000 1.264 325 Q HN 0.443 nan 8.270 nan 0.000 0.446 326 V N 2.780 122.943 119.914 0.414 0.000 2.588 326 V HA 0.485 4.611 4.120 0.010 0.000 0.304 326 V C -1.178 174.907 176.094 -0.014 0.000 1.042 326 V CA -0.983 61.465 62.300 0.246 0.000 0.877 326 V CB 1.712 33.580 31.823 0.075 0.000 0.996 326 V HN 0.612 nan 8.190 nan 0.000 0.425 327 L N 7.157 128.104 121.223 -0.461 0.000 2.287 327 L HA 0.868 5.214 4.340 0.010 0.000 0.287 327 L C -0.344 176.391 176.870 -0.224 0.000 1.022 327 L CA -0.076 54.392 54.840 -0.620 0.000 0.814 327 L CB 1.518 42.676 42.059 -1.501 0.000 1.217 327 L HN 0.627 nan 8.230 nan 0.000 0.420 328 V N 2.179 122.045 119.914 -0.079 0.000 3.001 328 V HA 1.133 5.259 4.120 0.010 0.000 0.314 328 V C -0.064 175.851 176.094 -0.299 0.000 1.099 328 V CA 0.149 62.392 62.300 -0.095 0.000 0.989 328 V CB 1.138 32.863 31.823 -0.163 0.000 1.040 328 V HN 1.087 nan 8.190 nan 0.000 0.434 329 G N 0.581 109.026 108.800 -0.592 0.000 2.430 329 G HA2 0.757 4.722 3.960 0.010 0.000 0.300 329 G HA3 0.757 4.722 3.960 0.010 0.000 0.300 329 G C -1.244 173.264 174.900 -0.652 0.000 1.330 329 G CA 0.085 44.382 45.100 -1.339 0.000 0.813 329 G HN 2.043 nan 8.290 nan 0.000 0.487 330 V N -2.372 117.299 119.914 -0.405 0.000 3.159 330 V HA 0.908 5.034 4.120 0.010 0.000 0.308 330 V C 0.393 176.683 176.094 0.328 0.000 1.190 330 V CA -0.470 61.864 62.300 0.057 0.000 1.037 330 V CB 1.032 32.871 31.823 0.027 0.000 1.060 330 V HN 1.839 nan 8.190 nan 0.000 0.437 331 V N -0.324 119.822 119.914 0.386 0.000 3.134 331 V HA 0.541 4.667 4.120 0.010 0.000 0.313 331 V C 1.417 177.731 176.094 0.367 0.000 1.069 331 V CA 0.080 62.670 62.300 0.485 0.000 1.048 331 V CB 1.094 33.205 31.823 0.480 0.000 1.119 331 V HN 1.066 nan 8.190 nan 0.000 0.461 332 K N -0.026 120.584 120.400 0.350 0.000 2.148 332 K HA -0.058 4.268 4.320 0.010 0.000 0.204 332 K C -0.010 176.734 176.600 0.239 0.000 1.050 332 K CA 1.868 58.309 56.287 0.256 0.000 0.942 332 K CB -0.015 32.607 32.500 0.204 0.000 0.724 332 K HN 0.957 nan 8.250 nan 0.000 0.446 333 D N 0.673 121.231 120.400 0.263 0.000 2.502 333 D HA 0.068 4.714 4.640 0.010 0.000 0.301 333 D C -0.028 176.452 176.300 0.299 0.000 1.202 333 D CA -0.177 53.971 54.000 0.248 0.000 0.878 333 D CB 1.387 42.312 40.800 0.208 0.000 1.062 333 D HN 0.031 nan 8.370 nan 0.000 0.499 334 E N 0.518 120.895 120.200 0.296 0.000 2.204 334 E HA -0.077 4.279 4.350 0.010 0.000 0.194 334 E C 2.028 178.849 176.600 0.368 0.000 0.989 334 E CA 0.582 57.198 56.400 0.359 0.000 0.824 334 E CB 0.169 30.014 29.700 0.242 0.000 0.756 334 E HN 0.525 nan 8.360 nan 0.000 0.477 335 G N 1.136 110.103 108.800 0.279 0.000 2.539 335 G HA2 -0.167 3.798 3.960 0.010 0.000 0.215 335 G HA3 -0.167 3.798 3.960 0.010 0.000 0.215 335 G C 1.746 176.877 174.900 0.385 0.000 1.141 335 G CA 0.766 46.038 45.100 0.287 0.000 0.806 335 G HN 0.353 nan 8.290 nan 0.000 0.533 336 S N 0.030 115.915 115.700 0.310 0.000 2.365 336 S HA -0.273 4.203 4.470 0.010 0.000 0.225 336 S C 2.101 176.779 174.600 0.129 0.000 1.039 336 S CA 1.377 59.719 58.200 0.236 0.000 1.033 336 S CB -0.969 62.272 63.200 0.068 0.000 0.887 336 S HN 0.491 nan 8.310 nan 0.000 0.447 337 Y N 1.234 121.462 120.300 -0.121 0.000 2.165 337 Y HA -0.186 4.369 4.550 0.009 0.000 0.286 337 Y C 1.900 177.597 175.900 -0.338 0.000 1.155 337 Y CA 1.634 59.455 58.100 -0.465 0.000 1.164 337 Y CB -0.284 37.803 38.460 -0.621 0.000 0.978 337 Y HN 0.270 nan 8.280 nan 0.000 0.513 338 F N -0.289 119.778 119.950 0.195 0.000 2.293 338 F HA -0.188 4.345 4.527 0.009 0.000 0.300 338 F C 1.925 177.830 175.800 0.175 0.000 1.086 338 F CA 0.917 59.000 58.000 0.139 0.000 1.375 338 F CB -0.546 38.452 39.000 -0.003 0.000 1.045 338 F HN 0.019 nan 8.300 nan 0.000 0.516 339 L N -0.097 121.255 121.223 0.216 0.000 2.141 339 L HA -0.131 4.215 4.340 0.010 0.000 0.209 339 L C 2.306 179.273 176.870 0.162 0.000 1.094 339 L CA 0.918 55.732 54.840 -0.043 0.000 0.763 339 L CB -0.896 40.835 42.059 -0.546 0.000 0.908 339 L HN 0.160 nan 8.230 nan 0.000 0.437 340 V N -4.826 115.251 119.914 0.271 0.000 3.380 340 V HA -0.145 3.981 4.120 0.010 0.000 0.268 340 V C 0.904 177.010 176.094 0.021 0.000 1.168 340 V CA 0.658 63.107 62.300 0.248 0.000 1.156 340 V CB -1.221 30.777 31.823 0.293 0.000 0.785 340 V HN 0.298 nan 8.190 nan 0.000 0.487 341 Y N 1.865 122.277 120.300 0.186 0.000 2.897 341 Y HA 0.688 5.244 4.550 0.009 0.000 0.372 341 Y C 1.487 177.467 175.900 0.132 0.000 1.034 341 Y CA 0.195 58.368 58.100 0.122 0.000 1.627 341 Y CB 0.538 39.035 38.460 0.061 0.000 1.474 341 Y HN 0.361 nan 8.280 nan 0.000 0.517 342 G N -1.050 107.895 108.800 0.242 0.000 2.370 342 G HA2 -0.177 3.789 3.960 0.010 0.000 0.174 342 G HA3 -0.177 3.789 3.960 0.010 0.000 0.174 342 G C -0.579 174.439 174.900 0.196 0.000 1.002 342 G CA -0.489 44.742 45.100 0.219 0.000 0.730 342 G HN 0.058 nan 8.290 nan 0.000 0.497 343 V N 2.718 122.761 119.914 0.215 0.000 2.368 343 V HA 0.406 4.532 4.120 0.010 0.000 0.266 343 V C -1.727 174.587 176.094 0.365 0.000 1.045 343 V CA -1.557 60.892 62.300 0.249 0.000 0.899 343 V CB 1.106 33.013 31.823 0.139 0.000 1.006 343 V HN 0.093 nan 8.190 nan 0.000 0.470 344 P HA 0.245 nan 4.420 nan 0.000 0.266 344 P C 1.041 178.441 177.300 0.166 0.000 1.195 344 P CA 1.265 64.473 63.100 0.180 0.000 0.768 344 P CB 0.702 32.470 31.700 0.112 0.000 0.838 345 G N 0.990 109.816 108.800 0.043 0.000 2.232 345 G HA2 -0.208 3.758 3.960 0.010 0.000 0.226 345 G HA3 -0.208 3.758 3.960 0.010 0.000 0.226 345 G C -0.204 174.459 174.900 -0.394 0.000 0.996 345 G CA -0.574 44.407 45.100 -0.198 0.000 0.626 345 G HN 0.394 nan 8.290 nan 0.000 0.509 346 F N 1.558 121.517 119.950 0.015 0.000 2.421 346 F HA 0.809 5.342 4.527 0.009 0.000 0.337 346 F C 0.583 176.478 175.800 0.159 0.000 1.105 346 F CA -0.277 57.746 58.000 0.038 0.000 1.049 346 F CB 2.266 41.340 39.000 0.123 0.000 1.139 346 F HN 0.121 nan 8.300 nan 0.000 0.479 347 S N 1.358 117.295 115.700 0.394 0.000 2.556 347 S HA 0.289 4.764 4.470 0.010 0.000 0.271 347 S C 0.431 175.339 174.600 0.512 0.000 1.135 347 S CA -0.867 57.570 58.200 0.396 0.000 0.858 347 S CB 1.440 64.770 63.200 0.216 0.000 1.114 347 S HN 0.776 nan 8.310 nan 0.000 0.468 348 K N 1.168 121.727 120.400 0.266 0.000 2.288 348 K HA 0.069 4.395 4.320 0.010 0.000 0.201 348 K C 0.033 176.587 176.600 -0.077 0.000 1.048 348 K CA 1.370 57.636 56.287 -0.035 0.000 0.956 348 K CB -0.099 31.909 32.500 -0.820 0.000 0.746 348 K HN 0.452 nan 8.250 nan 0.000 0.461 349 D N 0.815 121.192 120.400 -0.038 0.000 2.349 349 D HA 0.021 4.666 4.640 0.010 0.000 0.214 349 D C -0.305 176.014 176.300 0.031 0.000 1.063 349 D CA 0.215 54.180 54.000 -0.057 0.000 0.847 349 D CB 0.117 40.874 40.800 -0.072 0.000 0.933 349 D HN 0.486 nan 8.370 nan 0.000 0.513 350 N N -1.074 117.693 118.700 0.112 0.000 2.902 350 N HA 0.079 4.825 4.740 0.010 0.000 0.268 350 N C 0.426 176.005 175.510 0.116 0.000 1.450 350 N CA -0.512 52.583 53.050 0.075 0.000 0.819 350 N CB 0.951 39.438 38.487 -0.000 0.000 1.540 350 N HN -0.448 nan 8.380 nan 0.000 0.545 351 E N -0.291 119.899 120.200 -0.017 0.000 2.409 351 E HA -0.018 4.338 4.350 0.010 0.000 0.198 351 E C -0.341 175.887 176.600 -0.619 0.000 1.024 351 E CA 0.689 57.006 56.400 -0.140 0.000 0.861 351 E CB -0.664 28.986 29.700 -0.082 0.000 0.788 351 E HN 0.612 nan 8.360 nan 0.000 0.521 352 S N 0.053 115.424 115.700 -0.549 0.000 3.614 352 S HA -0.200 4.276 4.470 0.010 0.000 0.360 352 S C 0.366 174.515 174.600 -0.751 0.000 1.023 352 S CA 0.184 57.924 58.200 -0.767 0.000 1.114 352 S CB -1.953 60.551 63.200 -1.160 0.000 0.907 352 S HN 0.276 nan 8.310 nan 0.000 0.470 353 L N 1.471 122.418 121.223 -0.461 0.000 2.410 353 L HA 0.477 4.823 4.340 0.010 0.000 0.273 353 L C 0.770 177.432 176.870 -0.347 0.000 1.144 353 L CA -0.083 54.552 54.840 -0.342 0.000 0.863 353 L CB 0.203 42.136 42.059 -0.210 0.000 1.140 353 L HN 0.468 nan 8.230 nan 0.000 0.463 354 I N -0.259 120.121 120.570 -0.316 0.000 3.023 354 I HA 0.683 4.859 4.170 0.010 0.000 0.312 354 I C 0.312 176.356 176.117 -0.123 0.000 1.056 354 I CA -0.707 60.434 61.300 -0.264 0.000 1.033 354 I CB 2.065 39.868 38.000 -0.328 0.000 1.233 354 I HN 0.565 nan 8.210 nan 0.000 0.462 355 S N 1.445 117.107 115.700 -0.064 0.000 2.693 355 S HA 0.462 4.938 4.470 0.010 0.000 0.276 355 S C 0.876 175.505 174.600 0.048 0.000 1.192 355 S CA -0.649 57.541 58.200 -0.016 0.000 0.994 355 S CB 1.694 64.890 63.200 -0.007 0.000 1.012 355 S HN 0.802 nan 8.310 nan 0.000 0.550 356 R N 0.167 120.697 120.500 0.050 0.000 2.091 356 R HA -0.129 4.217 4.340 0.010 0.000 0.238 356 R C 2.519 178.921 176.300 0.171 0.000 1.136 356 R CA 1.565 57.734 56.100 0.115 0.000 0.959 356 R CB -1.134 29.208 30.300 0.069 0.000 0.856 356 R HN 0.858 nan 8.270 nan 0.000 0.437 357 A N 0.876 123.757 122.820 0.102 0.000 1.883 357 A HA -0.250 4.076 4.320 0.010 0.000 0.217 357 A C 2.011 179.654 177.584 0.098 0.000 1.186 357 A CA 1.577 53.665 52.037 0.087 0.000 0.624 357 A CB -0.505 18.527 19.000 0.054 0.000 0.822 357 A HN 0.449 nan 8.150 nan 0.000 0.444 358 Q N -2.009 117.850 119.800 0.099 0.000 2.224 358 Q HA -0.073 4.273 4.340 0.010 0.000 0.203 358 Q C 1.864 177.983 176.000 0.198 0.000 0.970 358 Q CA 1.276 57.145 55.803 0.110 0.000 0.865 358 Q CB -0.267 28.499 28.738 0.046 0.000 0.922 358 Q HN 0.793 nan 8.270 nan 0.000 0.445 359 F N 1.369 121.359 119.950 0.068 0.000 2.075 359 F HA -0.207 4.325 4.527 0.009 0.000 0.297 359 F C 1.785 177.635 175.800 0.083 0.000 1.113 359 F CA 1.170 59.226 58.000 0.093 0.000 1.218 359 F CB 0.010 39.047 39.000 0.062 0.000 0.984 359 F HN -0.057 nan 8.300 nan 0.000 0.472 360 L N 0.302 121.521 121.223 -0.007 0.000 2.012 360 L HA -0.245 4.100 4.340 0.010 0.000 0.210 360 L C 2.863 179.676 176.870 -0.096 0.000 1.073 360 L CA 1.256 56.032 54.840 -0.107 0.000 0.748 360 L CB -1.501 40.581 42.059 0.037 0.000 0.891 360 L HN 0.285 nan 8.230 nan 0.000 0.431 361 A N 0.583 123.396 122.820 -0.013 0.000 1.877 361 A HA -0.126 4.199 4.320 0.010 0.000 0.216 361 A C 2.441 180.023 177.584 -0.002 0.000 1.186 361 A CA 1.819 53.861 52.037 0.008 0.000 0.620 361 A CB -1.312 17.716 19.000 0.046 0.000 0.822 361 A HN 0.447 nan 8.150 nan 0.000 0.443 362 G N -0.620 108.188 108.800 0.014 0.000 2.418 362 G HA2 -0.118 3.848 3.960 0.010 0.000 0.217 362 G HA3 -0.118 3.848 3.960 0.010 0.000 0.217 362 G C 1.512 176.360 174.900 -0.086 0.000 1.158 362 G CA 1.179 46.294 45.100 0.024 0.000 0.771 362 G HN 0.314 nan 8.290 nan 0.000 0.545 363 V N 1.114 120.885 119.914 -0.237 0.000 2.332 363 V HA -0.195 3.931 4.120 0.010 0.000 0.248 363 V C 3.044 179.075 176.094 -0.106 0.000 1.055 363 V CA 1.930 64.085 62.300 -0.242 0.000 1.038 363 V CB -0.399 31.189 31.823 -0.391 0.000 0.651 363 V HN 0.244 nan 8.190 nan 0.000 0.450 364 R N -0.148 120.304 120.500 -0.079 0.000 2.096 364 R HA -0.026 4.319 4.340 0.010 0.000 0.235 364 R C 2.036 178.322 176.300 -0.023 0.000 1.127 364 R CA 1.523 57.601 56.100 -0.038 0.000 0.968 364 R CB -0.932 29.354 30.300 -0.024 0.000 0.861 364 R HN 0.489 nan 8.270 nan 0.000 0.440 365 I N -0.423 120.139 120.570 -0.014 0.000 2.406 365 I HA -0.058 4.118 4.170 0.010 0.000 0.249 365 I C 2.259 178.378 176.117 0.003 0.000 1.122 365 I CA 1.328 62.630 61.300 0.003 0.000 1.431 365 I CB -0.466 37.554 38.000 0.033 0.000 1.087 365 I HN 0.199 nan 8.210 nan 0.000 0.424 366 G N 0.332 109.128 108.800 -0.006 0.000 2.464 366 G HA2 -0.019 3.947 3.960 0.010 0.000 0.217 366 G HA3 -0.019 3.947 3.960 0.010 0.000 0.217 366 G C 0.824 175.737 174.900 0.022 0.000 1.138 366 G CA 0.335 45.435 45.100 0.001 0.000 0.793 366 G HN 0.230 nan 8.290 nan 0.000 0.539 367 V N 2.222 122.135 119.914 -0.003 0.000 2.271 367 V HA 0.213 4.339 4.120 0.010 0.000 0.259 367 V C -1.412 174.682 176.094 -0.000 0.000 1.030 367 V CA -1.122 61.168 62.300 -0.016 0.000 0.957 367 V CB 1.522 33.309 31.823 -0.060 0.000 1.186 367 V HN 0.065 nan 8.190 nan 0.000 0.471 368 P HA -0.144 nan 4.420 nan 0.000 0.218 368 P C 1.110 178.400 177.300 -0.017 0.000 1.149 368 P CA 1.080 64.169 63.100 -0.017 0.000 0.817 368 P CB 0.540 32.216 31.700 -0.040 0.000 0.785 369 Q N -0.345 119.457 119.800 0.003 0.000 2.482 369 Q HA 0.195 4.541 4.340 0.010 0.000 0.209 369 Q C 0.858 176.851 176.000 -0.012 0.000 0.961 369 Q CA 0.132 55.932 55.803 -0.005 0.000 0.945 369 Q CB -0.591 28.156 28.738 0.014 0.000 1.012 369 Q HN 0.192 nan 8.270 nan 0.000 0.515 370 A N 0.869 123.682 122.820 -0.013 0.000 2.409 370 A HA 0.431 4.757 4.320 0.010 0.000 0.267 370 A C 0.449 178.021 177.584 -0.020 0.000 1.127 370 A CA -0.352 51.674 52.037 -0.020 0.000 0.795 370 A CB 0.188 19.180 19.000 -0.013 0.000 1.061 370 A HN 0.338 nan 8.150 nan 0.000 0.502 371 S N 2.056 117.740 115.700 -0.026 0.000 2.598 371 S HA 0.044 4.520 4.470 0.010 0.000 0.256 371 S C 0.459 175.055 174.600 -0.007 0.000 1.350 371 S CA 0.578 58.766 58.200 -0.021 0.000 0.984 371 S CB 0.250 63.432 63.200 -0.030 0.000 0.930 371 S HN 0.622 nan 8.310 nan 0.000 0.577 372 D N 0.035 120.435 120.400 -0.000 0.000 2.144 372 D HA -0.043 4.603 4.640 0.010 0.000 0.199 372 D C 1.727 178.044 176.300 0.028 0.000 0.984 372 D CA 0.869 54.877 54.000 0.013 0.000 0.834 372 D CB -0.398 40.411 40.800 0.014 0.000 0.955 372 D HN 0.383 nan 8.370 nan 0.000 0.465 373 L N 0.841 122.078 121.223 0.023 0.000 1.994 373 L HA -0.070 4.276 4.340 0.010 0.000 0.208 373 L C 2.097 179.004 176.870 0.061 0.000 1.071 373 L CA 1.836 56.701 54.840 0.042 0.000 0.745 373 L CB -1.056 41.017 42.059 0.023 0.000 0.892 373 L HN 0.016 nan 8.230 nan 0.000 0.431 374 A N -0.583 122.249 122.820 0.021 0.000 1.908 374 A HA -0.189 4.137 4.320 0.010 0.000 0.218 374 A C 2.429 180.060 177.584 0.078 0.000 1.181 374 A CA 2.187 54.236 52.037 0.020 0.000 0.627 374 A CB -1.225 17.745 19.000 -0.050 0.000 0.818 374 A HN 0.587 nan 8.150 nan 0.000 0.445 375 A N -0.659 122.190 122.820 0.048 0.000 1.930 375 A HA -0.090 4.236 4.320 0.010 0.000 0.217 375 A C 1.970 179.600 177.584 0.076 0.000 1.175 375 A CA 2.048 54.110 52.037 0.042 0.000 0.627 375 A CB -0.409 18.596 19.000 0.009 0.000 0.815 375 A HN 0.562 nan 8.150 nan 0.000 0.443 376 E N 0.310 120.568 120.200 0.098 0.000 2.047 376 E HA -0.019 4.337 4.350 0.010 0.000 0.191 376 E C 2.054 178.765 176.600 0.185 0.000 0.987 376 E CA 1.493 57.974 56.400 0.135 0.000 0.799 376 E CB -0.495 29.276 29.700 0.119 0.000 0.752 376 E HN 0.435 nan 8.360 nan 0.000 0.449 377 A N 0.351 123.300 122.820 0.214 0.000 1.869 377 A HA -0.247 4.079 4.320 0.010 0.000 0.218 377 A C 2.525 180.213 177.584 0.173 0.000 1.203 377 A CA 2.195 54.411 52.037 0.299 0.000 0.638 377 A CB -1.211 18.112 19.000 0.538 0.000 0.831 377 A HN 0.207 nan 8.150 nan 0.000 0.450 378 V N -0.553 119.491 119.914 0.216 0.000 2.250 378 V HA -0.300 3.826 4.120 0.010 0.000 0.250 378 V C 2.570 178.817 176.094 0.256 0.000 1.060 378 V CA 2.257 64.617 62.300 0.099 0.000 1.030 378 V CB -0.996 30.897 31.823 0.116 0.000 0.643 378 V HN 0.390 nan 8.190 nan 0.000 0.445 379 V N -0.304 119.746 119.914 0.226 0.000 2.295 379 V HA -0.254 3.872 4.120 0.010 0.000 0.246 379 V C 2.276 178.648 176.094 0.463 0.000 1.049 379 V CA 2.084 64.603 62.300 0.365 0.000 1.024 379 V CB -0.498 31.473 31.823 0.246 0.000 0.648 379 V HN 0.458 nan 8.190 nan 0.000 0.447 380 L N -0.674 120.802 121.223 0.422 0.000 2.141 380 L HA -0.192 4.154 4.340 0.010 0.000 0.209 380 L C 2.520 179.688 176.870 0.497 0.000 1.094 380 L CA 2.024 57.228 54.840 0.608 0.000 0.763 380 L CB -0.896 41.389 42.059 0.376 0.000 0.908 380 L HN 0.474 nan 8.230 nan 0.000 0.437 381 H N -0.608 118.514 119.070 0.086 0.000 2.395 381 H HA -0.164 4.396 4.556 0.008 0.000 0.299 381 H C 1.804 177.070 175.328 -0.104 0.000 1.070 381 H CA 1.781 57.729 56.048 -0.167 0.000 1.356 381 H CB 0.047 29.360 29.762 -0.748 0.000 1.401 381 H HN 0.215 nan 8.280 nan 0.000 0.524 382 Y N -0.120 120.242 120.300 0.103 0.000 2.500 382 Y HA 0.143 4.700 4.550 0.011 0.000 0.270 382 Y C 0.809 176.736 175.900 0.045 0.000 1.134 382 Y CA 0.379 58.558 58.100 0.132 0.000 1.293 382 Y CB 0.191 38.880 38.460 0.383 0.000 1.063 382 Y HN 0.028 nan 8.280 nan 0.000 0.534 383 T N 1.475 116.032 114.554 0.005 0.000 2.916 383 T HA -0.058 4.298 4.350 0.010 0.000 0.303 383 T C -0.214 174.111 174.700 -0.625 0.000 1.025 383 T CA -0.172 61.612 62.100 -0.526 0.000 1.142 383 T CB 0.239 68.340 68.868 -1.277 0.000 0.947 383 T HN 0.081 nan 8.240 nan 0.000 0.544 384 D N 2.266 122.232 120.400 -0.724 0.000 2.422 384 D HA 0.092 4.738 4.640 0.010 0.000 0.227 384 D C 0.177 176.142 176.300 -0.560 0.000 1.190 384 D CA -0.758 52.839 54.000 -0.672 0.000 0.905 384 D CB 0.155 40.331 40.800 -1.040 0.000 1.034 384 D HN 0.593 nan 8.370 nan 0.000 0.507 385 W N 3.090 124.279 121.300 -0.185 0.000 2.538 385 W HA 0.000 4.665 4.660 0.008 0.000 0.254 385 W C 1.988 178.392 176.519 -0.191 0.000 1.249 385 W CA -0.181 57.076 57.345 -0.147 0.000 1.253 385 W CB -0.043 29.352 29.460 -0.108 0.000 1.130 385 W HN 0.437 nan 8.180 nan 0.000 0.618 386 L N -0.885 120.250 121.223 -0.148 0.000 2.179 386 L HA -0.088 4.258 4.340 0.010 0.000 0.208 386 L C 0.046 176.525 176.870 -0.652 0.000 1.096 386 L CA 1.281 55.885 54.840 -0.393 0.000 0.779 386 L CB -0.206 41.549 42.059 -0.507 0.000 0.922 386 L HN 0.060 nan 8.230 nan 0.000 0.443 387 H N -1.730 117.236 119.070 -0.175 0.000 2.429 387 H HA 0.167 4.728 4.556 0.009 0.000 0.231 387 H C -1.906 173.265 175.328 -0.261 0.000 1.416 387 H CA -1.332 54.612 56.048 -0.174 0.000 1.443 387 H CB 0.247 29.915 29.762 -0.157 0.000 1.591 387 H HN -0.034 nan 8.280 nan 0.000 0.507 388 P HA -0.151 nan 4.420 nan 0.000 0.228 388 P C 0.515 177.686 177.300 -0.215 0.000 1.151 388 P CA 1.189 64.081 63.100 -0.347 0.000 0.770 388 P CB 0.662 32.185 31.700 -0.294 0.000 0.786 389 E N -0.650 119.489 120.200 -0.102 0.000 2.562 389 E HA 0.035 4.391 4.350 0.010 0.000 0.214 389 E C -0.066 176.503 176.600 -0.052 0.000 0.979 389 E CA -0.183 56.179 56.400 -0.063 0.000 1.002 389 E CB 0.122 29.806 29.700 -0.026 0.000 1.048 389 E HN 0.247 nan 8.360 nan 0.000 0.488 390 D N 2.810 123.184 120.400 -0.043 0.000 2.382 390 D HA -0.017 4.629 4.640 0.010 0.000 0.259 390 D C -1.423 174.847 176.300 -0.050 0.000 1.224 390 D CA -1.500 52.475 54.000 -0.041 0.000 0.894 390 D CB 1.162 41.935 40.800 -0.046 0.000 1.127 390 D HN -0.126 nan 8.370 nan 0.000 0.487 391 P HA -0.108 nan 4.420 nan 0.000 0.221 391 P C 1.090 178.326 177.300 -0.107 0.000 1.150 391 P CA 0.835 63.876 63.100 -0.098 0.000 0.800 391 P CB 0.205 31.838 31.700 -0.112 0.000 0.787 392 T N -1.157 113.351 114.554 -0.078 0.000 2.737 392 T HA -0.172 4.184 4.350 0.010 0.000 0.265 392 T C 1.794 176.469 174.700 -0.041 0.000 1.038 392 T CA 1.106 63.169 62.100 -0.062 0.000 1.144 392 T CB -1.065 67.780 68.868 -0.038 0.000 0.866 392 T HN 0.266 nan 8.240 nan 0.000 0.434 393 H N 1.234 120.246 119.070 -0.097 0.000 2.352 393 H HA 0.003 4.564 4.556 0.008 0.000 0.299 393 H C 2.223 177.467 175.328 -0.139 0.000 1.097 393 H CA 1.268 57.258 56.048 -0.097 0.000 1.311 393 H CB -0.384 29.306 29.762 -0.120 0.000 1.377 393 H HN 0.292 nan 8.280 nan 0.000 0.504 394 L N 0.437 121.556 121.223 -0.173 0.000 2.017 394 L HA -0.189 4.157 4.340 0.010 0.000 0.208 394 L C 3.107 179.917 176.870 -0.100 0.000 1.073 394 L CA 1.376 56.033 54.840 -0.304 0.000 0.745 394 L CB -0.518 41.416 42.059 -0.208 0.000 0.894 394 L HN 0.206 nan 8.230 nan 0.000 0.432 395 R N 0.509 120.982 120.500 -0.046 0.000 2.094 395 R HA -0.212 4.133 4.340 0.010 0.000 0.239 395 R C 1.752 178.153 176.300 0.168 0.000 1.137 395 R CA 2.375 58.532 56.100 0.094 0.000 0.943 395 R CB -0.451 29.770 30.300 -0.132 0.000 0.850 395 R HN 0.382 nan 8.270 nan 0.000 0.433 396 D N 0.102 120.512 120.400 0.018 0.000 2.149 396 D HA -0.065 4.580 4.640 0.010 0.000 0.201 396 D C 1.738 178.049 176.300 0.018 0.000 0.972 396 D CA 1.303 55.335 54.000 0.052 0.000 0.835 396 D CB -0.260 40.544 40.800 0.006 0.000 0.966 396 D HN 0.371 nan 8.370 nan 0.000 0.476 397 A N 0.691 123.406 122.820 -0.175 0.000 1.972 397 A HA -0.166 4.160 4.320 0.010 0.000 0.219 397 A C 2.134 179.864 177.584 0.244 0.000 1.169 397 A CA 1.462 53.503 52.037 0.006 0.000 0.635 397 A CB -0.425 18.424 19.000 -0.252 0.000 0.810 397 A HN 0.164 nan 8.150 nan 0.000 0.446 398 M N -0.539 119.244 119.600 0.305 0.000 2.123 398 M HA -0.042 4.443 4.480 0.010 0.000 0.263 398 M C 2.275 178.640 176.300 0.109 0.000 1.069 398 M CA 2.068 57.555 55.300 0.312 0.000 1.133 398 M CB -0.542 32.315 32.600 0.427 0.000 1.356 398 M HN 0.342 nan 8.290 nan 0.000 0.415 399 S N -0.136 115.652 115.700 0.147 0.000 2.359 399 S HA -0.192 4.284 4.470 0.010 0.000 0.223 399 S C 2.030 176.713 174.600 0.139 0.000 1.039 399 S CA 1.890 60.191 58.200 0.167 0.000 1.042 399 S CB -0.692 62.672 63.200 0.273 0.000 0.915 399 S HN 0.660 nan 8.310 nan 0.000 0.439 400 A N 0.709 123.630 122.820 0.169 0.000 1.873 400 A HA 0.006 4.332 4.320 0.010 0.000 0.215 400 A C 2.368 180.019 177.584 0.111 0.000 1.186 400 A CA 1.745 53.923 52.037 0.235 0.000 0.616 400 A CB -1.188 18.067 19.000 0.424 0.000 0.823 400 A HN 0.445 nan 8.150 nan 0.000 0.442 401 V N -0.256 119.539 119.914 -0.198 0.000 2.231 401 V HA -0.302 3.824 4.120 0.010 0.000 0.250 401 V C 2.584 178.564 176.094 -0.191 0.000 1.058 401 V CA 2.366 64.435 62.300 -0.385 0.000 1.022 401 V CB -0.885 30.721 31.823 -0.362 0.000 0.640 401 V HN 0.382 nan 8.190 nan 0.000 0.445 402 V N 0.424 120.263 119.914 -0.125 0.000 2.427 402 V HA -0.137 3.989 4.120 0.010 0.000 0.248 402 V C 2.520 178.454 176.094 -0.266 0.000 1.051 402 V CA 2.071 64.277 62.300 -0.157 0.000 1.048 402 V CB -1.227 30.570 31.823 -0.042 0.000 0.666 402 V HN 0.630 nan 8.190 nan 0.000 0.456 403 G N -0.390 108.337 108.800 -0.122 0.000 2.394 403 G HA2 -0.201 3.764 3.960 0.010 0.000 0.214 403 G HA3 -0.201 3.764 3.960 0.010 0.000 0.214 403 G C 1.220 176.008 174.900 -0.187 0.000 1.176 403 G CA 0.881 45.921 45.100 -0.101 0.000 0.786 403 G HN 0.484 nan 8.290 nan 0.000 0.533 404 D N -0.133 120.192 120.400 -0.124 0.000 2.097 404 D HA -0.105 4.541 4.640 0.010 0.000 0.195 404 D C 2.111 178.073 176.300 -0.564 0.000 0.989 404 D CA 1.273 55.176 54.000 -0.162 0.000 0.827 404 D CB -0.431 40.474 40.800 0.176 0.000 0.966 404 D HN 0.403 nan 8.370 nan 0.000 0.456 405 H N 0.506 118.943 119.070 -1.054 0.000 2.423 405 H HA 0.060 4.621 4.556 0.009 0.000 0.297 405 H C 1.365 176.254 175.328 -0.733 0.000 1.075 405 H CA 1.430 56.662 56.048 -1.361 0.000 1.342 405 H CB 0.106 28.986 29.762 -1.470 0.000 1.395 405 H HN -0.000 nan 8.280 nan 0.000 0.530 406 N N -0.908 117.287 118.700 -0.843 0.000 2.368 406 N HA 0.036 4.782 4.740 0.010 0.000 0.178 406 N C 1.001 176.245 175.510 -0.445 0.000 1.076 406 N CA 0.921 53.430 53.050 -0.902 0.000 0.889 406 N CB 1.335 38.624 38.487 -1.996 0.000 1.040 406 N HN 0.257 nan 8.380 nan 0.000 0.463 407 V N -0.596 119.093 119.914 -0.376 0.000 3.442 407 V HA 0.070 4.196 4.120 0.010 0.000 0.205 407 V C 2.096 178.132 176.094 -0.097 0.000 1.320 407 V CA 0.156 62.389 62.300 -0.111 0.000 1.306 407 V CB -0.072 31.753 31.823 0.003 0.000 1.267 407 V HN -0.197 nan 8.190 nan 0.000 0.538 408 V N 0.068 119.923 119.914 -0.098 0.000 2.343 408 V HA -0.281 3.845 4.120 0.010 0.000 0.247 408 V C 2.466 178.517 176.094 -0.071 0.000 1.051 408 V CA 2.602 64.868 62.300 -0.057 0.000 1.036 408 V CB -0.667 31.156 31.823 -0.000 0.000 0.654 408 V HN 0.677 nan 8.190 nan 0.000 0.451 409 c N -0.676 117.870 118.600 -0.091 0.000 2.486 409 c HA 0.045 4.621 4.570 0.010 0.000 0.279 409 c C 0.542 174.596 174.090 -0.059 0.000 1.302 409 c CA 0.690 57.002 56.329 -0.028 0.000 1.720 409 c CB -1.686 40.851 42.510 0.045 0.000 2.030 409 c HN 0.449 nan 8.230 nan 0.000 0.490 410 P HA -0.114 nan 4.420 nan 0.000 0.216 410 P C 1.766 178.993 177.300 -0.121 0.000 1.157 410 P CA 1.596 64.612 63.100 -0.139 0.000 0.880 410 P CB -0.219 31.362 31.700 -0.198 0.000 0.791 411 V N -0.016 119.828 119.914 -0.116 0.000 2.332 411 V HA -0.287 3.839 4.120 0.010 0.000 0.248 411 V C 2.487 178.472 176.094 -0.181 0.000 1.055 411 V CA 2.339 64.553 62.300 -0.142 0.000 1.038 411 V CB -1.755 29.985 31.823 -0.139 0.000 0.651 411 V HN 0.117 nan 8.190 nan 0.000 0.450 412 A N -0.538 122.197 122.820 -0.140 0.000 1.877 412 A HA -0.322 4.004 4.320 0.010 0.000 0.216 412 A C 2.213 179.754 177.584 -0.072 0.000 1.186 412 A CA 2.240 54.202 52.037 -0.124 0.000 0.620 412 A CB -0.590 18.400 19.000 -0.016 0.000 0.822 412 A HN 0.590 nan 8.150 nan 0.000 0.443 413 Q N -0.742 119.034 119.800 -0.039 0.000 2.061 413 Q HA -0.189 4.157 4.340 0.010 0.000 0.204 413 Q C 1.910 177.881 176.000 -0.048 0.000 0.984 413 Q CA 1.977 57.771 55.803 -0.016 0.000 0.846 413 Q CB -0.411 28.316 28.738 -0.019 0.000 0.902 413 Q HN 0.526 nan 8.270 nan 0.000 0.421 414 L N 0.262 121.424 121.223 -0.102 0.000 1.994 414 L HA -0.094 4.252 4.340 0.010 0.000 0.208 414 L C 2.224 179.007 176.870 -0.145 0.000 1.071 414 L CA 2.368 57.128 54.840 -0.133 0.000 0.745 414 L CB -1.123 40.842 42.059 -0.157 0.000 0.892 414 L HN 0.306 nan 8.230 nan 0.000 0.431 415 A N -0.589 122.096 122.820 -0.224 0.000 1.908 415 A HA -0.131 4.195 4.320 0.010 0.000 0.218 415 A C 2.322 179.896 177.584 -0.017 0.000 1.181 415 A CA 1.814 53.654 52.037 -0.329 0.000 0.627 415 A CB -1.636 16.804 19.000 -0.934 0.000 0.818 415 A HN 0.566 nan 8.150 nan 0.000 0.445 416 G N -0.956 107.908 108.800 0.107 0.000 2.404 416 G HA2 -0.168 3.798 3.960 0.010 0.000 0.215 416 G HA3 -0.168 3.798 3.960 0.010 0.000 0.215 416 G C 1.681 176.664 174.900 0.139 0.000 1.174 416 G CA 0.758 46.017 45.100 0.264 0.000 0.780 416 G HN 0.366 nan 8.290 nan 0.000 0.537 417 R N -0.110 120.431 120.500 0.069 0.000 2.073 417 R HA 0.059 4.405 4.340 0.010 0.000 0.234 417 R C 2.575 178.931 176.300 0.094 0.000 1.134 417 R CA 0.460 56.605 56.100 0.074 0.000 0.952 417 R CB -1.320 29.009 30.300 0.048 0.000 0.850 417 R HN 0.310 nan 8.270 nan 0.000 0.433 418 L N 0.557 121.779 121.223 -0.002 0.000 1.970 418 L HA -0.128 4.218 4.340 0.010 0.000 0.212 418 L C 2.425 179.359 176.870 0.107 0.000 1.071 418 L CA 2.238 57.065 54.840 -0.023 0.000 0.751 418 L CB -1.405 40.556 42.059 -0.162 0.000 0.889 418 L HN 0.188 nan 8.230 nan 0.000 0.432 419 A N -0.895 121.994 122.820 0.116 0.000 1.940 419 A HA -0.189 4.137 4.320 0.010 0.000 0.219 419 A C 2.431 180.080 177.584 0.109 0.000 1.176 419 A CA 1.981 54.097 52.037 0.132 0.000 0.631 419 A CB -0.938 18.188 19.000 0.209 0.000 0.814 419 A HN 0.431 nan 8.150 nan 0.000 0.446 420 A N -1.448 121.442 122.820 0.116 0.000 2.015 420 A HA -0.071 4.255 4.320 0.010 0.000 0.219 420 A C 1.765 179.408 177.584 0.099 0.000 1.163 420 A CA 1.516 53.609 52.037 0.094 0.000 0.646 420 A CB -0.217 18.838 19.000 0.092 0.000 0.806 420 A HN 0.593 nan 8.150 nan 0.000 0.448 421 Q N -1.876 118.013 119.800 0.149 0.000 2.182 421 Q HA 0.412 4.758 4.340 0.010 0.000 0.270 421 Q C 0.727 176.825 176.000 0.164 0.000 0.861 421 Q CA 0.413 56.310 55.803 0.156 0.000 1.098 421 Q CB 0.689 29.559 28.738 0.220 0.000 1.188 421 Q HN 0.741 nan 8.270 nan 0.000 0.464 422 G N -0.320 108.557 108.800 0.129 0.000 2.218 422 G HA2 -0.255 3.711 3.960 0.010 0.000 0.216 422 G HA3 -0.255 3.711 3.960 0.010 0.000 0.216 422 G C 0.339 175.308 174.900 0.115 0.000 0.994 422 G CA -0.277 44.884 45.100 0.102 0.000 0.637 422 G HN 0.544 nan 8.290 nan 0.000 0.505 423 A N 0.265 123.177 122.820 0.154 0.000 2.462 423 A HA 0.665 4.991 4.320 0.010 0.000 0.243 423 A C 0.679 178.303 177.584 0.068 0.000 1.076 423 A CA 0.668 52.781 52.037 0.126 0.000 0.773 423 A CB 0.211 19.278 19.000 0.112 0.000 1.010 423 A HN 0.797 nan 8.150 nan 0.000 0.493 424 R N 1.889 122.426 120.500 0.061 0.000 2.296 424 R HA 0.422 4.768 4.340 0.010 0.000 0.323 424 R C -1.207 175.085 176.300 -0.015 0.000 1.067 424 R CA 0.045 56.139 56.100 -0.010 0.000 0.946 424 R CB 0.106 30.440 30.300 0.056 0.000 0.991 424 R HN 0.460 nan 8.270 nan 0.000 0.448 425 V N 6.103 125.940 119.914 -0.130 0.000 2.495 425 V HA 0.365 4.491 4.120 0.010 0.000 0.298 425 V C -0.949 174.994 176.094 -0.253 0.000 1.031 425 V CA -0.804 61.451 62.300 -0.076 0.000 0.871 425 V CB 1.318 33.154 31.823 0.022 0.000 0.988 425 V HN 0.626 nan 8.190 nan 0.000 0.432 426 Y N 2.290 122.557 120.300 -0.054 0.000 2.377 426 Y HA 0.784 5.339 4.550 0.008 0.000 0.339 426 Y C 0.384 176.370 175.900 0.143 0.000 1.011 426 Y CA -0.556 57.510 58.100 -0.057 0.000 1.093 426 Y CB 2.105 40.137 38.460 -0.714 0.000 1.201 426 Y HN 0.755 nan 8.280 nan 0.000 0.455 427 A N 3.316 126.516 122.820 0.633 0.000 2.365 427 A HA 0.835 5.161 4.320 0.010 0.000 0.318 427 A C -1.818 176.174 177.584 0.681 0.000 1.091 427 A CA -0.696 51.586 52.037 0.408 0.000 0.763 427 A CB 0.816 19.915 19.000 0.165 0.000 1.248 427 A HN 0.749 nan 8.150 nan 0.000 0.442 428 Y N -0.105 120.452 120.300 0.428 0.000 2.588 428 Y HA 0.785 5.340 4.550 0.007 0.000 0.343 428 Y C -1.108 174.991 175.900 0.332 0.000 1.065 428 Y CA -1.576 56.726 58.100 0.337 0.000 1.038 428 Y CB 1.317 39.959 38.460 0.303 0.000 1.297 428 Y HN 0.707 nan 8.280 nan 0.000 0.467 429 I N 3.719 124.604 120.570 0.525 0.000 2.433 429 I HA 0.500 4.676 4.170 0.010 0.000 0.292 429 I C -1.815 174.666 176.117 0.607 0.000 1.001 429 I CA -1.074 60.499 61.300 0.454 0.000 1.119 429 I CB 1.157 39.383 38.000 0.376 0.000 1.289 429 I HN 0.747 nan 8.210 nan 0.000 0.438 430 F N 7.435 127.702 119.950 0.529 0.000 2.385 430 F HA 0.428 4.961 4.527 0.010 0.000 0.360 430 F C 0.384 176.366 175.800 0.303 0.000 1.122 430 F CA -0.093 58.175 58.000 0.446 0.000 1.090 430 F CB 0.953 40.260 39.000 0.512 0.000 1.150 430 F HN 0.551 nan 8.300 nan 0.000 0.472 431 E N 3.377 123.458 120.200 -0.199 0.000 2.603 431 E HA -0.023 4.333 4.350 0.010 0.000 0.211 431 E C -0.762 175.706 176.600 -0.221 0.000 0.995 431 E CA -0.144 56.207 56.400 -0.081 0.000 0.990 431 E CB 0.242 29.923 29.700 -0.032 0.000 1.036 431 E HN 0.553 nan 8.360 nan 0.000 0.475 432 H N 1.382 120.054 119.070 -0.664 0.000 2.594 432 H HA 0.232 4.793 4.556 0.009 0.000 0.304 432 H C -0.330 174.952 175.328 -0.076 0.000 1.068 432 H CA -0.518 55.220 56.048 -0.516 0.000 1.308 432 H CB 0.445 29.646 29.762 -0.935 0.000 1.409 432 H HN -0.164 nan 8.280 nan 0.000 0.460 433 R N 4.164 124.306 120.500 -0.597 0.000 2.296 433 R HA 0.361 4.706 4.340 0.010 0.000 0.323 433 R C -0.327 175.656 176.300 -0.529 0.000 1.067 433 R CA -0.233 55.665 56.100 -0.337 0.000 0.946 433 R CB 0.102 30.286 30.300 -0.193 0.000 0.991 433 R HN 0.838 nan 8.270 nan 0.000 0.448 434 A N 3.358 126.245 122.820 0.111 0.000 2.584 434 A HA -0.053 4.273 4.320 0.010 0.000 0.239 434 A C 1.384 179.082 177.584 0.191 0.000 1.043 434 A CA 0.731 53.074 52.037 0.510 0.000 0.756 434 A CB 0.175 19.555 19.000 0.633 0.000 0.963 434 A HN 1.034 nan 8.150 nan 0.000 0.511 435 S N 1.569 117.432 115.700 0.272 0.000 2.469 435 S HA -0.154 4.321 4.470 0.010 0.000 0.238 435 S C 1.259 175.846 174.600 -0.021 0.000 0.998 435 S CA 1.644 59.905 58.200 0.101 0.000 0.957 435 S CB -0.740 62.544 63.200 0.139 0.000 0.764 435 S HN 1.222 nan 8.310 nan 0.000 0.514 436 T N -0.798 113.708 114.554 -0.081 0.000 3.086 436 T HA 0.370 4.726 4.350 0.010 0.000 0.250 436 T C 0.441 175.042 174.700 -0.165 0.000 1.074 436 T CA -0.611 61.364 62.100 -0.210 0.000 0.988 436 T CB -0.237 68.356 68.868 -0.458 0.000 0.988 436 T HN 0.172 nan 8.240 nan 0.000 0.530 437 L N 4.260 125.420 121.223 -0.104 0.000 2.525 437 L HA 0.227 4.573 4.340 0.010 0.000 0.278 437 L C 1.499 178.257 176.870 -0.187 0.000 1.218 437 L CA 0.855 55.598 54.840 -0.163 0.000 0.878 437 L CB 0.679 42.647 42.059 -0.153 0.000 1.127 437 L HN 0.486 nan 8.230 nan 0.000 0.492 438 T N -0.967 113.416 114.554 -0.285 0.000 3.001 438 T HA 0.068 4.424 4.350 0.010 0.000 0.251 438 T C 0.384 174.995 174.700 -0.147 0.000 1.040 438 T CA -0.485 61.453 62.100 -0.270 0.000 0.985 438 T CB -0.185 68.367 68.868 -0.527 0.000 1.011 438 T HN 0.368 nan 8.240 nan 0.000 0.509 439 W N 3.666 124.908 121.300 -0.097 0.000 2.158 439 W HA 0.356 5.022 4.660 0.010 0.000 0.339 439 W C -2.024 174.329 176.519 -0.277 0.000 1.294 439 W CA -2.071 55.166 57.345 -0.180 0.000 1.231 439 W CB 0.187 29.410 29.460 -0.395 0.000 1.143 439 W HN 0.000 nan 8.180 nan 0.000 0.571 440 P HA -0.019 nan 4.420 nan 0.000 0.272 440 P C 0.716 177.903 177.300 -0.189 0.000 1.240 440 P CA -0.045 62.962 63.100 -0.155 0.000 0.791 440 P CB 0.865 32.471 31.700 -0.157 0.000 0.978 441 L N 0.394 121.587 121.223 -0.051 0.000 2.043 441 L HA -0.175 4.170 4.340 0.010 0.000 0.212 441 L C 2.619 179.512 176.870 0.038 0.000 1.075 441 L CA 1.758 56.597 54.840 -0.001 0.000 0.752 441 L CB -0.812 41.280 42.059 0.054 0.000 0.891 441 L HN 0.615 nan 8.230 nan 0.000 0.432 442 W N -0.510 120.824 121.300 0.057 0.000 2.341 442 W HA -0.251 4.414 4.660 0.008 0.000 0.283 442 W C 1.700 178.275 176.519 0.093 0.000 1.215 442 W CA 0.700 58.089 57.345 0.073 0.000 1.211 442 W CB -0.906 28.601 29.460 0.080 0.000 1.131 442 W HN 0.187 nan 8.180 nan 0.000 0.552 443 M N 1.549 120.837 119.600 -0.519 0.000 2.659 443 M HA 0.122 4.608 4.480 0.010 0.000 0.243 443 M C 1.777 178.001 176.300 -0.127 0.000 1.111 443 M CA 1.307 56.282 55.300 -0.542 0.000 1.070 443 M CB -0.649 31.436 32.600 -0.859 0.000 1.525 443 M HN 0.226 nan 8.290 nan 0.000 0.517 444 G N 0.568 109.354 108.800 -0.023 0.000 2.622 444 G HA2 -0.298 3.668 3.960 0.010 0.000 0.307 444 G HA3 -0.298 3.668 3.960 0.010 0.000 0.307 444 G C -0.124 174.802 174.900 0.042 0.000 1.226 444 G CA -0.049 45.079 45.100 0.046 0.000 0.997 444 G HN 0.248 nan 8.290 nan 0.000 0.551 445 V N 3.449 123.439 119.914 0.126 0.000 2.277 445 V HA 0.476 4.602 4.120 0.010 0.000 0.269 445 V C -1.918 174.347 176.094 0.285 0.000 1.036 445 V CA -0.904 61.526 62.300 0.217 0.000 0.821 445 V CB 1.308 33.318 31.823 0.312 0.000 1.052 445 V HN 0.522 nan 8.190 nan 0.000 0.462 446 P HA 0.176 nan 4.420 nan 0.000 0.276 446 P C -0.126 177.504 177.300 0.551 0.000 1.244 446 P CA -0.503 62.802 63.100 0.342 0.000 0.801 446 P CB 0.316 32.099 31.700 0.139 0.000 1.006 447 H N 1.452 120.762 119.070 0.401 0.000 3.221 447 H HA 0.073 4.634 4.556 0.009 0.000 0.272 447 H C 1.593 177.050 175.328 0.216 0.000 0.865 447 H CA 2.463 58.703 56.048 0.321 0.000 1.419 447 H CB -0.852 29.140 29.762 0.385 0.000 1.377 447 H HN 0.775 nan 8.280 nan 0.000 0.535 448 G N 3.495 112.225 108.800 -0.117 0.000 2.194 448 G HA2 -0.314 3.652 3.960 0.010 0.000 0.236 448 G HA3 -0.314 3.652 3.960 0.010 0.000 0.236 448 G C 0.538 175.449 174.900 0.018 0.000 0.987 448 G CA 0.333 45.339 45.100 -0.157 0.000 0.635 448 G HN 0.650 nan 8.290 nan 0.000 0.520 449 Y N 1.366 121.863 120.300 0.328 0.000 2.532 449 Y HA 0.276 4.832 4.550 0.009 0.000 0.283 449 Y C 2.195 178.256 175.900 0.269 0.000 1.181 449 Y CA 0.730 59.050 58.100 0.368 0.000 1.256 449 Y CB 0.480 39.185 38.460 0.409 0.000 1.112 449 Y HN 0.491 nan 8.280 nan 0.000 0.521 450 E N -0.073 120.112 120.200 -0.024 0.000 2.364 450 E HA -0.037 4.319 4.350 0.010 0.000 0.196 450 E C 1.578 178.068 176.600 -0.183 0.000 0.990 450 E CA 0.562 56.554 56.400 -0.680 0.000 0.886 450 E CB -0.307 28.584 29.700 -1.349 0.000 0.866 450 E HN 0.534 nan 8.360 nan 0.000 0.493 451 I N 3.081 123.652 120.570 0.002 0.000 2.127 451 I HA -0.323 3.852 4.170 0.010 0.000 0.241 451 I C 2.784 178.903 176.117 0.003 0.000 1.075 451 I CA 2.220 63.554 61.300 0.057 0.000 1.334 451 I CB -0.528 37.571 38.000 0.165 0.000 1.040 451 I HN 0.207 nan 8.210 nan 0.000 0.405 452 E N 1.235 121.382 120.200 -0.089 0.000 2.130 452 E HA -0.264 4.092 4.350 0.010 0.000 0.196 452 E C 2.129 178.492 176.600 -0.396 0.000 0.998 452 E CA 1.685 57.928 56.400 -0.263 0.000 0.806 452 E CB -0.682 28.843 29.700 -0.292 0.000 0.738 452 E HN 0.453 nan 8.360 nan 0.000 0.459 453 F N 1.360 121.203 119.950 -0.178 0.000 2.084 453 F HA -0.110 4.424 4.527 0.013 0.000 0.296 453 F C 2.408 177.961 175.800 -0.411 0.000 1.111 453 F CA 0.680 58.510 58.000 -0.284 0.000 1.224 453 F CB -0.314 38.613 39.000 -0.121 0.000 0.991 453 F HN -0.035 nan 8.300 nan 0.000 0.471 454 I N -0.539 119.842 120.570 -0.315 0.000 2.248 454 I HA -0.308 3.867 4.170 0.010 0.000 0.248 454 I C 2.123 177.973 176.117 -0.444 0.000 1.107 454 I CA 1.524 62.449 61.300 -0.625 0.000 1.373 454 I CB -1.685 35.825 38.000 -0.816 0.000 1.055 454 I HN 0.069 nan 8.210 nan 0.000 0.418 455 F N 0.693 120.442 119.950 -0.334 0.000 2.710 455 F HA 0.260 4.793 4.527 0.010 0.000 0.298 455 F C 1.938 177.584 175.800 -0.257 0.000 1.137 455 F CA 0.766 58.619 58.000 -0.244 0.000 1.444 455 F CB -0.329 38.515 39.000 -0.261 0.000 1.111 455 F HN 0.285 nan 8.300 nan 0.000 0.580 456 G N 0.235 108.853 108.800 -0.303 0.000 2.147 456 G HA2 -0.311 3.655 3.960 0.010 0.000 0.244 456 G HA3 -0.311 3.655 3.960 0.010 0.000 0.244 456 G C 1.010 175.253 174.900 -1.096 0.000 1.005 456 G CA 0.366 45.158 45.100 -0.514 0.000 0.713 456 G HN 0.298 nan 8.290 nan 0.000 0.515 457 L N 0.430 121.064 121.223 -0.982 0.000 2.043 457 L HA -0.021 4.324 4.340 0.010 0.000 0.212 457 L C 0.465 176.745 176.870 -0.983 0.000 1.075 457 L CA 2.879 57.083 54.840 -1.059 0.000 0.752 457 L CB -1.039 40.698 42.059 -0.536 0.000 0.891 457 L HN 0.233 nan 8.230 nan 0.000 0.432 458 P HA -0.148 nan 4.420 nan 0.000 0.226 458 P C 1.578 178.601 177.300 -0.461 0.000 1.146 458 P CA 0.840 63.316 63.100 -1.041 0.000 0.773 458 P CB 0.047 31.110 31.700 -1.062 0.000 0.772 459 L N -1.125 119.767 121.223 -0.550 0.000 2.291 459 L HA -0.025 4.321 4.340 0.010 0.000 0.214 459 L C 1.000 177.785 176.870 -0.142 0.000 1.120 459 L CA 1.204 55.869 54.840 -0.293 0.000 0.799 459 L CB -1.102 40.816 42.059 -0.235 0.000 0.925 459 L HN -0.035 nan 8.230 nan 0.000 0.446 460 D N 0.772 121.047 120.400 -0.208 0.000 2.344 460 D HA 0.050 4.696 4.640 0.010 0.000 0.253 460 D C -1.561 174.753 176.300 0.024 0.000 1.255 460 D CA -1.827 52.187 54.000 0.023 0.000 0.894 460 D CB 1.418 42.268 40.800 0.084 0.000 1.067 460 D HN 0.060 nan 8.370 nan 0.000 0.492 461 P HA -0.116 nan 4.420 nan 0.000 0.226 461 P C 1.197 178.512 177.300 0.024 0.000 1.153 461 P CA 0.544 63.663 63.100 0.030 0.000 0.777 461 P CB 0.145 31.859 31.700 0.024 0.000 0.794 462 S N -0.410 115.304 115.700 0.023 0.000 2.481 462 S HA -0.023 4.453 4.470 0.010 0.000 0.231 462 S C 1.794 176.385 174.600 -0.015 0.000 0.996 462 S CA 0.410 58.612 58.200 0.003 0.000 0.942 462 S CB -1.350 61.853 63.200 0.005 0.000 0.768 462 S HN 0.104 nan 8.310 nan 0.000 0.520 463 L N 0.820 122.049 121.223 0.009 0.000 2.599 463 L HA 0.197 4.542 4.340 0.010 0.000 0.230 463 L C 0.410 177.198 176.870 -0.135 0.000 1.141 463 L CA 0.043 54.867 54.840 -0.026 0.000 0.877 463 L CB -0.751 41.373 42.059 0.107 0.000 1.009 463 L HN 0.250 nan 8.230 nan 0.000 0.447 464 N N -2.069 116.594 118.700 -0.063 0.000 2.878 464 N HA -0.231 4.515 4.740 0.010 0.000 0.247 464 N C -0.309 175.123 175.510 -0.129 0.000 1.021 464 N CA 0.854 53.841 53.050 -0.106 0.000 0.873 464 N CB -1.716 36.680 38.487 -0.151 0.000 1.128 464 N HN 0.290 nan 8.380 nan 0.000 0.571 465 Y N 0.951 121.226 120.300 -0.043 0.000 2.426 465 Y HA 0.149 4.704 4.550 0.010 0.000 0.344 465 Y C 1.941 177.856 175.900 0.025 0.000 1.256 465 Y CA 0.342 58.444 58.100 0.003 0.000 1.451 465 Y CB 0.366 38.811 38.460 -0.025 0.000 1.342 465 Y HN 0.077 nan 8.280 nan 0.000 0.600 466 T N -2.910 111.786 114.554 0.236 0.000 2.860 466 T HA 0.043 4.399 4.350 0.010 0.000 0.299 466 T C 1.338 176.115 174.700 0.128 0.000 1.045 466 T CA -0.118 62.069 62.100 0.145 0.000 1.071 466 T CB 1.060 70.008 68.868 0.134 0.000 0.985 466 T HN 0.859 nan 8.240 nan 0.000 0.537 467 T N -0.706 113.894 114.554 0.076 0.000 2.833 467 T HA -0.137 4.219 4.350 0.010 0.000 0.269 467 T C 1.449 176.182 174.700 0.054 0.000 1.054 467 T CA 1.345 63.478 62.100 0.055 0.000 1.135 467 T CB -0.632 68.256 68.868 0.033 0.000 0.869 467 T HN 0.709 nan 8.240 nan 0.000 0.466 468 E N 1.609 121.839 120.200 0.050 0.000 2.085 468 E HA -0.106 4.250 4.350 0.010 0.000 0.194 468 E C 2.275 178.909 176.600 0.058 0.000 0.994 468 E CA 1.633 58.048 56.400 0.025 0.000 0.801 468 E CB -0.366 29.325 29.700 -0.015 0.000 0.743 468 E HN 0.737 nan 8.360 nan 0.000 0.453 469 E N 0.101 120.378 120.200 0.128 0.000 2.106 469 E HA -0.138 4.218 4.350 0.010 0.000 0.192 469 E C 2.141 178.865 176.600 0.206 0.000 0.984 469 E CA 0.586 57.157 56.400 0.286 0.000 0.806 469 E CB -0.051 29.961 29.700 0.520 0.000 0.750 469 E HN 0.112 nan 8.360 nan 0.000 0.458 470 R N 0.895 121.445 120.500 0.084 0.000 2.083 470 R HA -0.164 4.182 4.340 0.010 0.000 0.237 470 R C 2.228 178.529 176.300 0.002 0.000 1.137 470 R CA 1.374 57.467 56.100 -0.012 0.000 0.951 470 R CB -0.228 30.065 30.300 -0.011 0.000 0.851 470 R HN 0.125 nan 8.270 nan 0.000 0.434 471 I N 0.191 120.784 120.570 0.039 0.000 2.286 471 I HA -0.260 3.916 4.170 0.010 0.000 0.248 471 I C 2.127 178.280 176.117 0.060 0.000 1.115 471 I CA 0.978 62.297 61.300 0.031 0.000 1.392 471 I CB -0.275 37.745 38.000 0.032 0.000 1.065 471 I HN 0.207 nan 8.210 nan 0.000 0.418 472 F N 1.742 121.649 119.950 -0.072 0.000 2.113 472 F HA -0.163 4.369 4.527 0.008 0.000 0.297 472 F C 2.442 178.224 175.800 -0.031 0.000 1.103 472 F CA 1.225 59.168 58.000 -0.094 0.000 1.248 472 F CB -0.699 38.173 39.000 -0.213 0.000 0.999 472 F HN 0.011 nan 8.300 nan 0.000 0.475 473 A N 0.231 122.978 122.820 -0.121 0.000 1.917 473 A HA -0.278 4.048 4.320 0.010 0.000 0.219 473 A C 2.174 179.609 177.584 -0.249 0.000 1.182 473 A CA 2.069 53.977 52.037 -0.214 0.000 0.633 473 A CB -1.003 17.889 19.000 -0.180 0.000 0.819 473 A HN 0.631 nan 8.150 nan 0.000 0.448 474 Q N -1.168 118.532 119.800 -0.167 0.000 2.084 474 Q HA -0.166 4.180 4.340 0.010 0.000 0.202 474 Q C 2.414 178.299 176.000 -0.192 0.000 0.978 474 Q CA 1.487 57.201 55.803 -0.148 0.000 0.844 474 Q CB -0.171 28.512 28.738 -0.092 0.000 0.898 474 Q HN 0.638 nan 8.270 nan 0.000 0.426 475 R N 0.352 120.722 120.500 -0.217 0.000 2.083 475 R HA -0.137 4.209 4.340 0.010 0.000 0.237 475 R C 2.258 178.258 176.300 -0.500 0.000 1.137 475 R CA 1.230 57.121 56.100 -0.348 0.000 0.951 475 R CB -0.199 29.973 30.300 -0.213 0.000 0.851 475 R HN 0.249 nan 8.270 nan 0.000 0.434 476 L N -0.191 120.818 121.223 -0.356 0.000 2.056 476 L HA -0.187 4.159 4.340 0.010 0.000 0.207 476 L C 2.518 179.346 176.870 -0.069 0.000 1.078 476 L CA 1.322 56.068 54.840 -0.158 0.000 0.749 476 L CB -0.337 41.444 42.059 -0.465 0.000 0.901 476 L HN 0.283 nan 8.230 nan 0.000 0.433 477 M N -0.745 118.738 119.600 -0.196 0.000 2.159 477 M HA -0.191 4.294 4.480 0.010 0.000 0.263 477 M C 2.282 178.569 176.300 -0.021 0.000 1.063 477 M CA 1.511 56.733 55.300 -0.131 0.000 1.110 477 M CB -0.308 32.198 32.600 -0.156 0.000 1.374 477 M HN 0.069 nan 8.290 nan 0.000 0.411 478 K N -0.125 120.223 120.400 -0.087 0.000 2.026 478 K HA -0.139 4.187 4.320 0.010 0.000 0.208 478 K C 1.908 178.552 176.600 0.072 0.000 1.048 478 K CA 1.691 57.936 56.287 -0.069 0.000 0.929 478 K CB -0.429 31.961 32.500 -0.185 0.000 0.713 478 K HN 0.329 nan 8.250 nan 0.000 0.439 479 Y N -0.226 120.203 120.300 0.215 0.000 2.114 479 Y HA -0.210 4.347 4.550 0.012 0.000 0.284 479 Y C 2.460 178.497 175.900 0.230 0.000 1.143 479 Y CA 0.692 58.960 58.100 0.279 0.000 1.135 479 Y CB -0.876 37.923 38.460 0.567 0.000 0.980 479 Y HN 0.213 nan 8.280 nan 0.000 0.499 480 W N 0.610 121.985 121.300 0.124 0.000 2.335 480 W HA -0.245 4.421 4.660 0.008 0.000 0.311 480 W C 2.489 178.999 176.519 -0.015 0.000 1.213 480 W CA 2.276 59.616 57.345 -0.007 0.000 1.274 480 W CB -0.592 28.771 29.460 -0.162 0.000 1.148 480 W HN 0.252 nan 8.180 nan 0.000 0.498 481 T N -2.446 112.212 114.554 0.174 0.000 2.942 481 T HA -0.110 4.246 4.350 0.010 0.000 0.265 481 T C 1.450 176.175 174.700 0.042 0.000 1.062 481 T CA 1.091 63.223 62.100 0.053 0.000 1.139 481 T CB -0.573 68.302 68.868 0.012 0.000 0.883 481 T HN -0.103 nan 8.240 nan 0.000 0.468 482 N N 1.146 119.888 118.700 0.072 0.000 2.069 482 N HA -0.039 4.706 4.740 0.010 0.000 0.191 482 N C 1.374 176.873 175.510 -0.018 0.000 1.031 482 N CA 1.208 54.277 53.050 0.031 0.000 0.852 482 N CB -0.796 37.729 38.487 0.063 0.000 1.018 482 N HN 0.473 nan 8.380 nan 0.000 0.423 483 F N 1.578 121.438 119.950 -0.151 0.000 2.126 483 F HA -0.158 4.374 4.527 0.009 0.000 0.299 483 F C 2.146 177.864 175.800 -0.138 0.000 1.096 483 F CA 1.464 59.326 58.000 -0.231 0.000 1.255 483 F CB -0.379 38.395 39.000 -0.376 0.000 0.997 483 F HN 0.053 nan 8.300 nan 0.000 0.479 484 A N 0.209 122.968 122.820 -0.101 0.000 1.930 484 A HA -0.168 4.158 4.320 0.010 0.000 0.217 484 A C 2.381 179.852 177.584 -0.187 0.000 1.175 484 A CA 1.600 53.550 52.037 -0.144 0.000 0.627 484 A CB -0.758 18.223 19.000 -0.032 0.000 0.815 484 A HN 0.471 nan 8.150 nan 0.000 0.443 485 R N -0.805 119.611 120.500 -0.140 0.000 2.073 485 R HA -0.088 4.257 4.340 0.010 0.000 0.229 485 R C 1.967 178.178 176.300 -0.148 0.000 1.120 485 R CA 1.999 58.032 56.100 -0.111 0.000 0.967 485 R CB -0.076 30.186 30.300 -0.063 0.000 0.862 485 R HN 0.638 nan 8.270 nan 0.000 0.436 486 T N -5.668 108.770 114.554 -0.193 0.000 2.969 486 T HA 0.255 4.611 4.350 0.010 0.000 0.258 486 T C 1.108 175.670 174.700 -0.230 0.000 0.962 486 T CA 0.492 62.494 62.100 -0.164 0.000 0.903 486 T CB 1.170 69.978 68.868 -0.100 0.000 1.177 486 T HN 0.341 nan 8.240 nan 0.000 0.511 487 G N 1.309 109.833 108.800 -0.459 0.000 2.176 487 G HA2 -0.168 3.798 3.960 0.010 0.000 0.253 487 G HA3 -0.168 3.798 3.960 0.010 0.000 0.253 487 G C -0.325 174.417 174.900 -0.262 0.000 0.979 487 G CA 0.199 44.936 45.100 -0.604 0.000 0.641 487 G HN 0.819 nan 8.290 nan 0.000 0.530 488 D N -0.366 119.901 120.400 -0.222 0.000 2.620 488 D HA 0.478 5.124 4.640 0.010 0.000 0.252 488 D C -1.144 174.969 176.300 -0.313 0.000 1.207 488 D CA -1.773 52.054 54.000 -0.288 0.000 0.884 488 D CB 2.147 42.887 40.800 -0.099 0.000 1.262 488 D HN 0.017 nan 8.370 nan 0.000 0.552 489 P HA -0.073 nan 4.420 nan 0.000 0.223 489 P C 0.128 177.454 177.300 0.043 0.000 1.151 489 P CA 0.197 63.103 63.100 -0.323 0.000 0.787 489 P CB 0.341 31.453 31.700 -0.981 0.000 0.788 490 N N 1.709 120.383 118.700 -0.043 0.000 2.454 490 N HA -0.022 4.723 4.740 0.010 0.000 0.254 490 N C 0.204 175.796 175.510 0.137 0.000 1.228 490 N CA 0.575 53.716 53.050 0.152 0.000 0.900 490 N CB 0.309 38.864 38.487 0.113 0.000 1.089 490 N HN 0.093 nan 8.380 nan 0.000 0.449 491 D N 2.476 122.979 120.400 0.171 0.000 2.358 491 D HA 0.035 4.681 4.640 0.010 0.000 0.258 491 D C -1.303 175.042 176.300 0.075 0.000 1.223 491 D CA -1.178 52.882 54.000 0.099 0.000 0.886 491 D CB 1.194 42.043 40.800 0.082 0.000 1.120 491 D HN 0.326 nan 8.370 nan 0.000 0.482 492 P HA -0.025 nan 4.420 nan 0.000 0.233 492 P C 0.930 178.253 177.300 0.039 0.000 1.167 492 P CA 0.580 63.704 63.100 0.041 0.000 0.770 492 P CB 0.583 32.298 31.700 0.024 0.000 0.837 493 R N -0.695 119.827 120.500 0.038 0.000 2.191 493 R HA 0.076 4.421 4.340 0.010 0.000 0.196 493 R C 0.655 176.977 176.300 0.038 0.000 0.991 493 R CA 0.185 56.304 56.100 0.032 0.000 1.075 493 R CB -0.129 30.186 30.300 0.024 0.000 1.040 493 R HN -0.027 nan 8.270 nan 0.000 0.526 494 D N 0.935 121.363 120.400 0.046 0.000 2.845 494 D HA 0.002 4.648 4.640 0.010 0.000 0.235 494 D C 0.926 177.266 176.300 0.066 0.000 1.158 494 D CA -0.062 53.968 54.000 0.050 0.000 0.990 494 D CB 0.354 41.183 40.800 0.048 0.000 1.094 494 D HN 0.107 nan 8.370 nan 0.000 0.486 495 S N 0.172 115.907 115.700 0.059 0.000 2.399 495 S HA -0.250 4.226 4.470 0.010 0.000 0.231 495 S C 2.275 176.914 174.600 0.065 0.000 1.022 495 S CA 1.274 59.514 58.200 0.065 0.000 0.983 495 S CB -0.420 62.812 63.200 0.054 0.000 0.803 495 S HN 0.386 nan 8.310 nan 0.000 0.480 496 K N 1.586 122.018 120.400 0.054 0.000 2.074 496 K HA 0.060 4.386 4.320 0.010 0.000 0.209 496 K C 1.489 178.125 176.600 0.059 0.000 1.048 496 K CA 1.559 57.876 56.287 0.049 0.000 0.926 496 K CB -1.537 30.987 32.500 0.039 0.000 0.713 496 K HN 0.487 nan 8.250 nan 0.000 0.444 497 S N 1.540 117.283 115.700 0.071 0.000 2.558 497 S HA 0.228 4.703 4.470 0.010 0.000 0.287 497 S C -2.222 172.441 174.600 0.107 0.000 1.321 497 S CA -0.907 57.348 58.200 0.092 0.000 1.048 497 S CB 0.718 63.988 63.200 0.116 0.000 0.844 497 S HN 0.425 nan 8.310 nan 0.000 0.512 498 P HA 0.146 nan 4.420 nan 0.000 0.269 498 P C -0.601 176.791 177.300 0.153 0.000 1.215 498 P CA -0.261 62.902 63.100 0.106 0.000 0.780 498 P CB 0.418 32.165 31.700 0.078 0.000 0.898 499 Q N 0.656 120.547 119.800 0.151 0.000 2.222 499 Q HA 0.225 4.571 4.340 0.010 0.000 0.252 499 Q C -0.895 175.264 176.000 0.266 0.000 0.926 499 Q CA -0.186 55.743 55.803 0.210 0.000 0.899 499 Q CB 1.468 30.314 28.738 0.181 0.000 1.250 499 Q HN 0.558 nan 8.270 nan 0.000 0.441 500 W N 6.106 127.464 121.300 0.097 0.000 2.283 500 W HA 0.336 5.001 4.660 0.008 0.000 0.317 500 W C -2.509 174.165 176.519 0.258 0.000 1.042 500 W CA -2.476 54.939 57.345 0.117 0.000 1.348 500 W CB 0.585 30.041 29.460 -0.006 0.000 1.216 500 W HN 0.363 nan 8.180 nan 0.000 0.404 501 P HA 0.272 nan 4.420 nan 0.000 0.281 501 P C -2.595 174.918 177.300 0.355 0.000 1.249 501 P CA -1.760 61.570 63.100 0.383 0.000 0.810 501 P CB 0.870 32.704 31.700 0.224 0.000 1.008 502 P HA -0.001 nan 4.420 nan 0.000 0.267 502 P C -0.537 176.763 177.300 0.001 0.000 1.200 502 P CA 0.248 63.122 63.100 -0.376 0.000 0.772 502 P CB 0.011 31.454 31.700 -0.428 0.000 0.855 503 Y N 2.730 122.988 120.300 -0.070 0.000 2.465 503 Y HA 0.308 4.867 4.550 0.016 0.000 0.331 503 Y C 0.356 176.249 175.900 -0.011 0.000 1.102 503 Y CA 0.523 58.647 58.100 0.039 0.000 1.358 503 Y CB 0.151 38.659 38.460 0.080 0.000 1.213 503 Y HN 0.374 nan 8.280 nan 0.000 0.525 504 T N 0.412 114.732 114.554 -0.390 0.000 2.916 504 T HA 0.252 4.607 4.350 0.010 0.000 0.292 504 T C 0.980 175.432 174.700 -0.414 0.000 1.055 504 T CA -0.208 61.738 62.100 -0.256 0.000 1.009 504 T CB 1.328 70.115 68.868 -0.135 0.000 1.118 504 T HN 0.665 nan 8.240 nan 0.000 0.497 505 T N -0.484 113.971 114.554 -0.165 0.000 2.788 505 T HA -0.051 4.305 4.350 0.010 0.000 0.268 505 T C 2.249 176.883 174.700 -0.111 0.000 1.044 505 T CA 1.019 63.054 62.100 -0.107 0.000 1.139 505 T CB -0.843 68.026 68.868 0.003 0.000 0.867 505 T HN 0.847 nan 8.240 nan 0.000 0.454 506 A N 1.883 124.648 122.820 -0.092 0.000 1.855 506 A HA 0.442 4.768 4.320 0.010 0.000 0.215 506 A C 2.712 180.249 177.584 -0.078 0.000 1.191 506 A CA 1.767 53.767 52.037 -0.061 0.000 0.613 506 A CB -1.229 17.748 19.000 -0.038 0.000 0.829 506 A HN 0.745 nan 8.150 nan 0.000 0.442 507 A N -2.015 120.734 122.820 -0.117 0.000 2.063 507 A HA 0.243 4.569 4.320 0.010 0.000 0.211 507 A C 0.951 178.458 177.584 -0.128 0.000 1.177 507 A CA 0.840 52.824 52.037 -0.089 0.000 0.759 507 A CB -0.290 18.676 19.000 -0.058 0.000 0.857 507 A HN 0.588 nan 8.150 nan 0.000 0.468 508 Q N -0.026 119.565 119.800 -0.348 0.000 2.434 508 Q HA -0.235 4.111 4.340 0.010 0.000 0.299 508 Q C -0.710 175.277 176.000 -0.023 0.000 1.286 508 Q CA 0.707 56.185 55.803 -0.542 0.000 0.872 508 Q CB -1.920 26.721 28.738 -0.162 0.000 1.193 508 Q HN 0.826 nan 8.270 nan 0.000 0.466 509 Q N 0.434 120.238 119.800 0.007 0.000 2.314 509 Q HA 0.462 4.807 4.340 0.010 0.000 0.258 509 Q C -0.380 175.909 176.000 0.481 0.000 0.954 509 Q CA 0.055 55.976 55.803 0.198 0.000 0.890 509 Q CB 0.532 29.337 28.738 0.111 0.000 1.210 509 Q HN 0.362 nan 8.270 nan 0.000 0.410 510 Y N -1.880 118.564 120.300 0.241 0.000 2.638 510 Y HA 0.662 5.224 4.550 0.021 0.000 0.335 510 Y C -1.117 174.821 175.900 0.062 0.000 1.155 510 Y CA -1.561 56.690 58.100 0.251 0.000 1.046 510 Y CB 0.467 39.081 38.460 0.258 0.000 1.303 510 Y HN 0.342 nan 8.280 nan 0.000 0.460 511 V N -0.142 119.718 119.914 -0.090 0.000 2.732 511 V HA 0.798 4.924 4.120 0.010 0.000 0.310 511 V C -0.027 175.980 176.094 -0.145 0.000 1.053 511 V CA -0.578 61.506 62.300 -0.359 0.000 0.957 511 V CB 1.212 32.537 31.823 -0.830 0.000 1.018 511 V HN 1.128 nan 8.190 nan 0.000 0.452 512 S N 4.119 119.732 115.700 -0.146 0.000 2.528 512 S HA 0.599 5.075 4.470 0.010 0.000 0.277 512 S C -0.363 174.210 174.600 -0.045 0.000 1.297 512 S CA -0.619 57.567 58.200 -0.024 0.000 1.052 512 S CB 0.285 63.457 63.200 -0.048 0.000 0.917 512 S HN 0.721 nan 8.310 nan 0.000 0.492 513 L N 4.240 125.493 121.223 0.050 0.000 2.264 513 L HA 0.480 4.826 4.340 0.010 0.000 0.287 513 L C -0.239 176.534 176.870 -0.161 0.000 1.039 513 L CA -0.459 54.441 54.840 0.100 0.000 0.829 513 L CB -0.137 42.108 42.059 0.311 0.000 1.211 513 L HN 0.905 nan 8.230 nan 0.000 0.427 514 N N 2.031 120.549 118.700 -0.303 0.000 3.344 514 N HA 0.368 5.114 4.740 0.010 0.000 0.296 514 N C 0.329 175.233 175.510 -1.011 0.000 1.571 514 N CA -1.000 51.584 53.050 -0.777 0.000 0.844 514 N CB 0.712 38.960 38.487 -0.397 0.000 1.718 514 N HN 0.153 nan 8.380 nan 0.000 0.589 515 L N -0.918 119.774 121.223 -0.885 0.000 2.131 515 L HA 0.035 4.381 4.340 0.010 0.000 0.210 515 L C 0.567 177.260 176.870 -0.295 0.000 1.092 515 L CA 1.077 55.536 54.840 -0.636 0.000 0.759 515 L CB -0.519 41.277 42.059 -0.438 0.000 0.903 515 L HN 0.430 nan 8.230 nan 0.000 0.435 516 K N 0.709 120.974 120.400 -0.226 0.000 2.258 516 K HA 0.135 4.461 4.320 0.010 0.000 0.264 516 K C -2.086 174.476 176.600 -0.063 0.000 1.007 516 K CA -1.641 54.578 56.287 -0.113 0.000 0.941 516 K CB 0.096 32.541 32.500 -0.092 0.000 0.966 516 K HN -0.127 nan 8.250 nan 0.000 0.480 517 P HA -0.082 nan 4.420 nan 0.000 0.269 517 P C -0.205 177.105 177.300 0.017 0.000 1.217 517 P CA -0.002 63.114 63.100 0.027 0.000 0.783 517 P CB 0.414 32.132 31.700 0.030 0.000 0.898 518 L N 1.142 122.396 121.223 0.052 0.000 2.737 518 L HA -0.107 4.239 4.340 0.010 0.000 0.279 518 L C 1.267 178.109 176.870 -0.048 0.000 1.200 518 L CA 0.900 55.732 54.840 -0.014 0.000 0.952 518 L CB -0.480 41.579 42.059 -0.001 0.000 1.240 518 L HN 0.530 nan 8.230 nan 0.000 0.486 519 E N 3.897 124.043 120.200 -0.091 0.000 2.133 519 E HA 0.322 4.678 4.350 0.010 0.000 0.274 519 E C -1.090 175.417 176.600 -0.155 0.000 0.930 519 E CA -0.803 55.540 56.400 -0.095 0.000 0.770 519 E CB 1.629 31.280 29.700 -0.082 0.000 1.104 519 E HN 0.316 nan 8.360 nan 0.000 0.403 520 V N 5.663 125.501 119.914 -0.127 0.000 2.488 520 V HA 0.281 4.407 4.120 0.010 0.000 0.277 520 V C 0.360 176.322 176.094 -0.220 0.000 1.046 520 V CA 0.014 62.219 62.300 -0.157 0.000 0.986 520 V CB 0.685 32.475 31.823 -0.055 0.000 0.989 520 V HN 0.690 nan 8.190 nan 0.000 0.475 521 R N 4.145 124.383 120.500 -0.436 0.000 2.740 521 R HA 0.663 5.009 4.340 0.010 0.000 0.282 521 R C -0.711 175.358 176.300 -0.385 0.000 0.969 521 R CA -0.985 54.815 56.100 -0.499 0.000 0.918 521 R CB 2.544 32.348 30.300 -0.826 0.000 1.175 521 R HN 0.597 nan 8.270 nan 0.000 0.464 522 R N 0.258 120.724 120.500 -0.055 0.000 2.460 522 R HA 0.449 4.794 4.340 0.010 0.000 0.303 522 R C -0.417 176.082 176.300 0.331 0.000 0.968 522 R CA -0.177 56.002 56.100 0.131 0.000 0.889 522 R CB 1.957 32.299 30.300 0.070 0.000 1.123 522 R HN 0.898 nan 8.270 nan 0.000 0.455 523 G N 2.560 111.599 108.800 0.399 0.000 3.429 523 G HA2 -0.218 3.748 3.960 0.010 0.000 0.605 523 G HA3 -0.218 3.748 3.960 0.010 0.000 0.605 523 G C -0.885 174.216 174.900 0.336 0.000 0.973 523 G CA -0.886 44.405 45.100 0.318 0.000 0.774 523 G HN 0.390 nan 8.290 nan 0.000 0.422 524 L N 3.902 125.218 121.223 0.156 0.000 2.462 524 L HA 0.490 4.835 4.340 0.010 0.000 0.283 524 L C 1.502 178.377 176.870 0.009 0.000 1.166 524 L CA 0.124 54.855 54.840 -0.183 0.000 0.964 524 L CB -0.721 41.178 42.059 -0.267 0.000 1.294 524 L HN 0.862 nan 8.230 nan 0.000 0.449 525 R N 2.976 123.521 120.500 0.075 0.000 3.225 525 R HA -0.295 4.050 4.340 0.010 0.000 0.245 525 R C 1.368 177.768 176.300 0.166 0.000 0.928 525 R CA 0.608 56.792 56.100 0.141 0.000 0.632 525 R CB -0.868 29.519 30.300 0.145 0.000 1.038 525 R HN 0.846 nan 8.270 nan 0.000 0.461 526 A N 0.388 123.305 122.820 0.162 0.000 1.883 526 A HA -0.252 4.074 4.320 0.010 0.000 0.217 526 A C 1.838 179.519 177.584 0.162 0.000 1.186 526 A CA 1.417 53.549 52.037 0.158 0.000 0.624 526 A CB -0.208 18.879 19.000 0.145 0.000 0.822 526 A HN 0.558 nan 8.150 nan 0.000 0.444 527 Q N -0.576 119.320 119.800 0.159 0.000 1.993 527 Q HA -0.123 4.223 4.340 0.010 0.000 0.202 527 Q C 2.286 178.415 176.000 0.215 0.000 0.984 527 Q CA 2.218 58.118 55.803 0.163 0.000 0.837 527 Q CB -1.276 27.548 28.738 0.144 0.000 0.902 527 Q HN 0.649 nan 8.270 nan 0.000 0.423 528 T N 0.519 115.236 114.554 0.271 0.000 2.833 528 T HA -0.121 4.235 4.350 0.010 0.000 0.269 528 T C 2.028 176.973 174.700 0.408 0.000 1.054 528 T CA 1.160 63.469 62.100 0.347 0.000 1.135 528 T CB -0.287 68.847 68.868 0.444 0.000 0.869 528 T HN 0.310 nan 8.240 nan 0.000 0.466 529 c N 1.496 120.312 118.600 0.360 0.000 2.446 529 c HA 0.233 4.809 4.570 0.010 0.000 0.279 529 c C 3.142 177.397 174.090 0.276 0.000 1.366 529 c CA 0.009 56.556 56.329 0.364 0.000 1.763 529 c CB -1.369 41.284 42.510 0.239 0.000 1.929 529 c HN 0.644 nan 8.230 nan 0.000 0.509 530 A N 0.212 123.157 122.820 0.209 0.000 1.933 530 A HA -0.203 4.123 4.320 0.010 0.000 0.218 530 A C 1.872 179.545 177.584 0.149 0.000 1.175 530 A CA 1.635 53.765 52.037 0.156 0.000 0.628 530 A CB -0.793 18.284 19.000 0.128 0.000 0.814 530 A HN 0.556 nan 8.150 nan 0.000 0.444 531 F N -0.823 119.107 119.950 -0.032 0.000 2.069 531 F HA -0.187 4.344 4.527 0.008 0.000 0.298 531 F C 1.927 177.674 175.800 -0.089 0.000 1.113 531 F CA 1.886 59.776 58.000 -0.183 0.000 1.214 531 F CB -0.504 38.080 39.000 -0.693 0.000 0.978 531 F HN 0.380 nan 8.300 nan 0.000 0.474 532 W N 0.287 121.586 121.300 -0.001 0.000 2.476 532 W HA -0.051 4.613 4.660 0.007 0.000 0.281 532 W C 2.064 178.536 176.519 -0.078 0.000 1.230 532 W CA 0.745 58.047 57.345 -0.072 0.000 1.287 532 W CB -0.420 29.128 29.460 0.146 0.000 1.108 532 W HN -0.041 nan 8.180 nan 0.000 0.567 533 N N -0.411 118.411 118.700 0.203 0.000 2.409 533 N HA 0.061 4.807 4.740 0.010 0.000 0.174 533 N C 1.467 177.007 175.510 0.050 0.000 1.037 533 N CA 0.782 53.901 53.050 0.116 0.000 0.898 533 N CB -0.141 38.417 38.487 0.117 0.000 1.010 533 N HN 0.201 nan 8.380 nan 0.000 0.445 534 R N -1.080 119.448 120.500 0.046 0.000 2.140 534 R HA 0.244 4.590 4.340 0.010 0.000 0.200 534 R C 1.462 177.766 176.300 0.007 0.000 1.069 534 R CA 0.124 56.247 56.100 0.038 0.000 1.088 534 R CB -0.211 30.136 30.300 0.078 0.000 1.012 534 R HN 0.040 nan 8.270 nan 0.000 0.500 535 F N 1.417 121.251 119.950 -0.193 0.000 2.179 535 F HA 0.097 4.630 4.527 0.010 0.000 0.292 535 F C 1.886 177.471 175.800 -0.359 0.000 1.089 535 F CA 0.866 58.714 58.000 -0.255 0.000 1.295 535 F CB -0.186 38.665 39.000 -0.247 0.000 1.041 535 F HN -0.123 nan 8.300 nan 0.000 0.487 536 L N 0.794 121.606 121.223 -0.684 0.000 2.013 536 L HA -0.178 4.168 4.340 0.010 0.000 0.212 536 L C -0.495 176.108 176.870 -0.446 0.000 1.073 536 L CA 2.101 56.518 54.840 -0.705 0.000 0.753 536 L CB -1.817 39.897 42.059 -0.575 0.000 0.890 536 L HN 0.086 nan 8.230 nan 0.000 0.432 537 P HA -0.236 nan 4.420 nan 0.000 0.215 537 P C 1.321 178.478 177.300 -0.238 0.000 1.163 537 P CA 1.780 64.767 63.100 -0.187 0.000 0.894 537 P CB -0.069 31.562 31.700 -0.115 0.000 0.791 538 K N -1.304 118.915 120.400 -0.301 0.000 2.103 538 K HA -0.148 4.178 4.320 0.010 0.000 0.207 538 K C 1.998 178.378 176.600 -0.366 0.000 1.048 538 K CA 1.040 57.153 56.287 -0.290 0.000 0.930 538 K CB -0.845 31.502 32.500 -0.255 0.000 0.716 538 K HN 0.087 nan 8.250 nan 0.000 0.444 539 L N 1.086 121.957 121.223 -0.587 0.000 2.044 539 L HA -0.123 4.223 4.340 0.010 0.000 0.205 539 L C 1.952 178.663 176.870 -0.264 0.000 1.075 539 L CA 1.356 55.903 54.840 -0.488 0.000 0.747 539 L CB -0.474 41.188 42.059 -0.661 0.000 0.903 539 L HN 0.038 nan 8.230 nan 0.000 0.435 540 L N -0.416 120.663 121.223 -0.239 0.000 2.013 540 L HA -0.154 4.192 4.340 0.010 0.000 0.212 540 L C 2.030 178.830 176.870 -0.118 0.000 1.073 540 L CA 1.901 56.654 54.840 -0.145 0.000 0.753 540 L CB -1.707 40.281 42.059 -0.119 0.000 0.890 540 L HN 0.568 nan 8.230 nan 0.000 0.432 541 S N -0.643 114.980 115.700 -0.128 0.000 3.811 541 S HA 0.607 5.083 4.470 0.010 0.000 0.205 541 S C 0.232 174.780 174.600 -0.087 0.000 1.445 541 S CA 0.140 58.284 58.200 -0.094 0.000 1.097 541 S CB -0.561 62.588 63.200 -0.085 0.000 1.350 541 S HN 0.532 nan 8.310 nan 0.000 0.471 542 A N 0.000 122.771 122.820 -0.081 0.000 2.254 542 A HA 0.000 4.326 4.320 0.010 0.000 0.244 542 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 542 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486