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 2whq_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 GEXAGAASVG 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 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.772 109.583 108.800 0.019 0.000 4.426 2 G HA2 -0.086 3.879 3.960 0.008 0.000 0.182 2 G HA3 -0.086 3.879 3.960 0.008 0.000 0.182 2 G C 0.802 175.710 174.900 0.015 0.000 1.373 2 G CA 0.022 45.131 45.100 0.015 0.000 0.879 2 G HN 0.305 nan 8.290 nan 0.000 0.294 3 R N 1.493 122.002 120.500 0.014 0.000 2.397 3 R HA 0.407 4.752 4.340 0.008 0.000 0.241 3 R C 0.648 176.958 176.300 0.018 0.000 0.914 3 R CA -0.045 56.063 56.100 0.014 0.000 1.071 3 R CB 0.206 30.512 30.300 0.010 0.000 1.116 3 R HN 0.519 nan 8.270 nan 0.000 0.524 4 E N 0.987 121.200 120.200 0.021 0.000 2.422 4 E HA -0.067 4.288 4.350 0.008 0.000 0.260 4 E C -0.423 176.198 176.600 0.036 0.000 1.108 4 E CA -0.046 56.370 56.400 0.026 0.000 0.943 4 E CB 0.366 30.085 29.700 0.032 0.000 0.961 4 E HN 0.009 nan 8.360 nan 0.000 0.443 5 D N 2.345 122.773 120.400 0.046 0.000 2.382 5 D HA -0.008 4.637 4.640 0.008 0.000 0.259 5 D C -1.477 174.864 176.300 0.068 0.000 1.224 5 D CA -1.841 52.200 54.000 0.069 0.000 0.894 5 D CB 0.861 41.724 40.800 0.105 0.000 1.127 5 D HN 0.125 nan 8.370 nan 0.000 0.487 6 P HA -0.134 nan 4.420 nan 0.000 0.225 6 P C 0.953 178.271 177.300 0.030 0.000 1.148 6 P CA 0.642 63.762 63.100 0.033 0.000 0.779 6 P CB 0.505 32.213 31.700 0.014 0.000 0.780 7 Q N -0.643 119.171 119.800 0.024 0.000 2.432 7 Q HA 0.117 4.462 4.340 0.008 0.000 0.205 7 Q C 1.766 177.842 176.000 0.127 0.000 0.945 7 Q CA 0.593 56.391 55.803 -0.009 0.000 0.924 7 Q CB -0.045 28.547 28.738 -0.244 0.000 1.016 7 Q HN 0.411 nan 8.270 nan 0.000 0.503 8 L N 0.113 121.430 121.223 0.157 0.000 2.728 8 L HA 0.246 4.591 4.340 0.008 0.000 0.238 8 L C 0.019 177.071 176.870 0.303 0.000 1.143 8 L CA -0.011 54.952 54.840 0.204 0.000 0.937 8 L CB 0.382 42.481 42.059 0.068 0.000 1.225 8 L HN -0.064 nan 8.230 nan 0.000 0.507 9 L N 0.689 122.039 121.223 0.213 0.000 2.287 9 L HA 0.584 4.929 4.340 0.008 0.000 0.287 9 L C -0.734 176.189 176.870 0.089 0.000 1.022 9 L CA -0.496 54.444 54.840 0.168 0.000 0.814 9 L CB 1.955 44.071 42.059 0.094 0.000 1.217 9 L HN -0.245 nan 8.230 nan 0.000 0.420 10 V N 3.163 123.103 119.914 0.043 0.000 2.841 10 V HA 0.491 4.616 4.120 0.008 0.000 0.310 10 V C -0.486 175.532 176.094 -0.127 0.000 1.090 10 V CA -0.750 61.437 62.300 -0.189 0.000 0.930 10 V CB 2.773 34.219 31.823 -0.627 0.000 1.014 10 V HN 0.743 nan 8.190 nan 0.000 0.425 11 R N 2.600 122.999 120.500 -0.168 0.000 2.460 11 R HA 0.828 5.173 4.340 0.008 0.000 0.303 11 R C -0.830 175.385 176.300 -0.142 0.000 0.968 11 R CA -0.325 55.718 56.100 -0.096 0.000 0.889 11 R CB 1.814 32.061 30.300 -0.089 0.000 1.123 11 R HN 0.707 nan 8.270 nan 0.000 0.455 12 V N 1.768 121.659 119.914 -0.039 0.000 3.166 12 V HA 0.506 4.631 4.120 0.008 0.000 0.317 12 V C 1.127 177.156 176.094 -0.108 0.000 1.136 12 V CA -1.013 61.260 62.300 -0.044 0.000 1.035 12 V CB 1.627 33.565 31.823 0.192 0.000 1.110 12 V HN 0.846 nan 8.190 nan 0.000 0.450 13 R N 1.537 121.960 120.500 -0.129 0.000 2.133 13 R HA -0.041 4.303 4.340 0.008 0.000 0.247 13 R C 1.780 177.956 176.300 -0.207 0.000 1.151 13 R CA 2.448 58.464 56.100 -0.141 0.000 0.971 13 R CB -1.212 29.022 30.300 -0.110 0.000 0.866 13 R HN 1.046 nan 8.270 nan 0.000 0.447 14 G N -2.103 106.530 108.800 -0.279 0.000 2.777 14 G HA2 0.395 4.360 3.960 0.008 0.000 0.211 14 G HA3 0.395 4.360 3.960 0.008 0.000 0.211 14 G C 0.349 174.343 174.900 -1.509 0.000 1.149 14 G CA 0.372 45.036 45.100 -0.726 0.000 0.785 14 G HN 0.736 nan 8.290 nan 0.000 0.536 15 G N -1.091 107.128 108.800 -0.968 0.000 2.339 15 G HA2 0.171 4.135 3.960 0.008 0.000 0.275 15 G HA3 0.171 4.135 3.960 0.008 0.000 0.275 15 G C -1.321 173.553 174.900 -0.043 0.000 1.323 15 G CA -0.940 43.711 45.100 -0.749 0.000 0.927 15 G HN 0.267 nan 8.290 nan 0.000 0.486 16 Q N -0.490 119.448 119.800 0.230 0.000 2.230 16 Q HA 0.732 5.077 4.340 0.008 0.000 0.248 16 Q C -0.488 175.794 176.000 0.469 0.000 0.915 16 Q CA -0.339 55.635 55.803 0.286 0.000 0.900 16 Q CB 1.844 30.694 28.738 0.186 0.000 1.229 16 Q HN 0.451 nan 8.270 nan 0.000 0.439 17 L N 1.431 122.851 121.223 0.329 0.000 2.370 17 L HA 0.625 4.970 4.340 0.008 0.000 0.266 17 L C -0.574 176.480 176.870 0.306 0.000 1.002 17 L CA -0.824 54.218 54.840 0.337 0.000 0.818 17 L CB 2.220 44.518 42.059 0.398 0.000 1.325 17 L HN 0.465 nan 8.230 nan 0.000 0.418 18 R N 0.816 121.471 120.500 0.258 0.000 2.393 18 R HA 0.649 4.993 4.340 0.008 0.000 0.315 18 R C -0.301 176.084 176.300 0.142 0.000 0.952 18 R CA -0.320 55.903 56.100 0.205 0.000 0.842 18 R CB 1.653 32.011 30.300 0.096 0.000 1.163 18 R HN 0.807 nan 8.270 nan 0.000 0.450 19 G N 3.421 112.234 108.800 0.022 0.000 2.583 19 G HA2 0.469 4.434 3.960 0.008 0.000 0.280 19 G HA3 0.469 4.434 3.960 0.008 0.000 0.280 19 G C -0.947 173.720 174.900 -0.388 0.000 1.376 19 G CA -0.722 44.043 45.100 -0.559 0.000 1.043 19 G HN 0.590 nan 8.290 nan 0.000 0.538 20 I N -0.991 119.299 120.570 -0.467 0.000 2.769 20 I HA 0.523 4.698 4.170 0.008 0.000 0.298 20 I C -0.484 175.484 176.117 -0.248 0.000 1.128 20 I CA -1.148 59.985 61.300 -0.279 0.000 1.031 20 I CB 2.291 40.143 38.000 -0.247 0.000 1.235 20 I HN 0.446 nan 8.210 nan 0.000 0.423 21 R N 7.410 127.798 120.500 -0.186 0.000 2.202 21 R HA 0.544 4.889 4.340 0.008 0.000 0.334 21 R C -1.635 174.536 176.300 -0.214 0.000 1.036 21 R CA -0.408 55.552 56.100 -0.234 0.000 0.878 21 R CB 0.637 30.743 30.300 -0.324 0.000 1.067 21 R HN 0.625 nan 8.270 nan 0.000 0.457 22 L N 3.275 124.390 121.223 -0.180 0.000 2.334 22 L HA 0.454 4.799 4.340 0.008 0.000 0.270 22 L C 0.220 177.006 176.870 -0.140 0.000 1.018 22 L CA -1.023 53.739 54.840 -0.131 0.000 0.811 22 L CB 1.597 43.618 42.059 -0.064 0.000 1.271 22 L HN 0.397 nan 8.230 nan 0.000 0.443 23 K N 1.891 122.221 120.400 -0.117 0.000 2.248 23 K HA 0.623 4.948 4.320 0.008 0.000 0.281 23 K C -0.854 175.683 176.600 -0.105 0.000 1.054 23 K CA -0.165 56.060 56.287 -0.103 0.000 0.903 23 K CB 1.542 33.995 32.500 -0.078 0.000 1.077 23 K HN 0.722 nan 8.250 nan 0.000 0.474 24 A N 5.307 128.068 122.820 -0.099 0.000 2.322 24 A HA 0.563 4.888 4.320 0.008 0.000 0.327 24 A C -1.947 175.636 177.584 -0.001 0.000 1.134 24 A CA -1.558 50.418 52.037 -0.102 0.000 0.831 24 A CB 0.830 19.739 19.000 -0.152 0.000 1.288 24 A HN 0.439 nan 8.150 nan 0.000 0.472 25 P HA -0.130 nan 4.420 nan 0.000 0.215 25 P C 1.326 178.652 177.300 0.045 0.000 1.157 25 P CA 2.183 65.329 63.100 0.077 0.000 0.874 25 P CB 0.188 31.960 31.700 0.120 0.000 0.790 26 G N -2.260 106.570 108.800 0.048 0.000 2.985 26 G HA2 0.435 4.400 3.960 0.008 0.000 0.209 26 G HA3 0.435 4.400 3.960 0.008 0.000 0.209 26 G C 0.518 175.433 174.900 0.024 0.000 1.165 26 G CA 0.474 45.594 45.100 0.034 0.000 0.776 26 G HN 0.624 nan 8.290 nan 0.000 0.541 27 G N -0.552 108.255 108.800 0.011 0.000 2.368 27 G HA2 0.328 4.293 3.960 0.008 0.000 0.302 27 G HA3 0.328 4.293 3.960 0.008 0.000 0.302 27 G C -3.370 171.515 174.900 -0.026 0.000 1.329 27 G CA -0.700 44.401 45.100 0.001 0.000 0.935 27 G HN 0.055 nan 8.290 nan 0.000 0.590 28 P HA 0.556 nan 4.420 nan 0.000 0.276 28 P C -0.048 177.226 177.300 -0.043 0.000 1.244 28 P CA -0.205 62.806 63.100 -0.149 0.000 0.801 28 P CB 1.703 33.170 31.700 -0.389 0.000 1.006 29 V N -2.145 117.739 119.914 -0.050 0.000 3.130 29 V HA 0.655 4.780 4.120 0.008 0.000 0.310 29 V C -0.408 175.753 176.094 0.113 0.000 1.158 29 V CA -0.938 61.425 62.300 0.105 0.000 1.029 29 V CB 1.710 33.602 31.823 0.116 0.000 1.057 29 V HN 0.440 nan 8.190 nan 0.000 0.436 30 S N 1.388 117.228 115.700 0.234 0.000 2.480 30 S HA 0.871 5.346 4.470 0.008 0.000 0.286 30 S C -0.014 174.594 174.600 0.012 0.000 1.180 30 S CA 0.022 58.307 58.200 0.142 0.000 1.075 30 S CB 1.232 64.620 63.200 0.313 0.000 0.996 30 S HN 1.553 nan 8.310 nan 0.000 0.487 31 A N 2.629 125.269 122.820 -0.300 0.000 2.371 31 A HA 0.829 5.154 4.320 0.008 0.000 0.311 31 A C -1.320 175.849 177.584 -0.693 0.000 1.068 31 A CA -0.636 51.124 52.037 -0.462 0.000 0.744 31 A CB 0.567 19.264 19.000 -0.505 0.000 1.239 31 A HN 0.676 nan 8.150 nan 0.000 0.435 32 F N 2.461 122.234 119.950 -0.295 0.000 2.430 32 F HA 0.501 5.033 4.527 0.008 0.000 0.362 32 F C -0.288 175.320 175.800 -0.320 0.000 1.103 32 F CA -0.300 57.597 58.000 -0.171 0.000 1.045 32 F CB 1.367 40.411 39.000 0.073 0.000 1.276 32 F HN 0.345 nan 8.300 nan 0.000 0.444 33 L N 1.982 123.052 121.223 -0.254 0.000 2.334 33 L HA 0.760 5.105 4.340 0.008 0.000 0.276 33 L C 0.881 177.639 176.870 -0.186 0.000 1.014 33 L CA -1.060 53.569 54.840 -0.351 0.000 0.815 33 L CB 1.828 43.472 42.059 -0.691 0.000 1.268 33 L HN 0.803 nan 8.230 nan 0.000 0.428 34 G N 2.746 111.494 108.800 -0.087 0.000 2.198 34 G HA2 -0.248 3.717 3.960 0.008 0.000 0.257 34 G HA3 -0.248 3.717 3.960 0.008 0.000 0.257 34 G C -0.101 174.814 174.900 0.025 0.000 1.042 34 G CA -0.357 44.686 45.100 -0.095 0.000 0.791 34 G HN 0.474 nan 8.290 nan 0.000 0.502 35 I N 2.272 122.891 120.570 0.081 0.000 2.436 35 I HA 0.208 4.383 4.170 0.008 0.000 0.289 35 I C -1.396 174.815 176.117 0.156 0.000 1.083 35 I CA -2.012 59.334 61.300 0.078 0.000 1.372 35 I CB 0.892 38.892 38.000 0.000 0.000 1.408 35 I HN -0.020 nan 8.210 nan 0.000 0.516 36 P HA 0.018 nan 4.420 nan 0.000 0.271 36 P C -0.225 177.040 177.300 -0.058 0.000 1.216 36 P CA 0.069 63.080 63.100 -0.148 0.000 0.771 36 P CB 0.518 32.139 31.700 -0.132 0.000 0.864 37 F N 0.685 120.505 119.950 -0.217 0.000 2.706 37 F HA 0.718 5.250 4.527 0.009 0.000 0.313 37 F C 0.053 175.850 175.800 -0.005 0.000 1.096 37 F CA -0.760 57.173 58.000 -0.111 0.000 1.219 37 F CB 0.185 39.019 39.000 -0.277 0.000 1.051 37 F HN 0.324 nan 8.300 nan 0.000 0.568 38 A N 0.138 122.676 122.820 -0.470 0.000 2.556 38 A HA 0.587 4.912 4.320 0.008 0.000 0.294 38 A C -0.795 176.637 177.584 -0.253 0.000 1.091 38 A CA -0.770 51.091 52.037 -0.294 0.000 0.704 38 A CB 1.022 19.771 19.000 -0.417 0.000 1.300 38 A HN 0.064 nan 8.150 nan 0.000 0.406 39 E N 1.238 121.366 120.200 -0.120 0.000 2.414 39 E HA 0.199 4.554 4.350 0.008 0.000 0.263 39 E C -2.295 174.213 176.600 -0.153 0.000 1.000 39 E CA -1.221 55.121 56.400 -0.097 0.000 0.914 39 E CB -0.044 29.635 29.700 -0.035 0.000 0.948 39 E HN 0.242 nan 8.360 nan 0.000 0.444 40 P HA -0.011 nan 4.420 nan 0.000 0.260 40 P C -2.198 175.038 177.300 -0.107 0.000 1.185 40 P CA -0.658 62.356 63.100 -0.143 0.000 0.763 40 P CB -0.043 31.609 31.700 -0.080 0.000 0.776 41 P HA 0.016 nan 4.420 nan 0.000 0.218 41 P C -0.297 176.949 177.300 -0.090 0.000 1.793 41 P CA 0.073 63.119 63.100 -0.090 0.000 0.941 41 P CB -0.041 31.607 31.700 -0.086 0.000 1.919 42 V N -2.644 117.223 119.914 -0.078 0.000 3.096 42 V HA 0.893 5.018 4.120 0.008 0.000 0.319 42 V C 0.966 177.022 176.094 -0.064 0.000 1.103 42 V CA 0.142 62.395 62.300 -0.078 0.000 1.016 42 V CB 0.838 32.624 31.823 -0.061 0.000 1.090 42 V HN 0.531 nan 8.190 nan 0.000 0.449 43 G N 2.418 111.180 108.800 -0.062 0.000 2.629 43 G HA2 -0.357 3.608 3.960 0.008 0.000 0.313 43 G HA3 -0.357 3.608 3.960 0.008 0.000 0.313 43 G C 1.253 176.129 174.900 -0.040 0.000 1.217 43 G CA 1.805 46.880 45.100 -0.042 0.000 0.994 43 G HN 2.399 nan 8.290 nan 0.000 0.549 44 S N 0.406 116.096 115.700 -0.017 0.000 2.547 44 S HA 0.060 4.535 4.470 0.008 0.000 0.235 44 S C 1.936 176.534 174.600 -0.003 0.000 0.980 44 S CA 1.547 59.747 58.200 0.000 0.000 0.941 44 S CB -0.038 63.168 63.200 0.010 0.000 0.763 44 S HN 0.705 nan 8.310 nan 0.000 0.532 45 R N 0.645 121.129 120.500 -0.026 0.000 2.300 45 R HA 0.261 4.605 4.340 0.008 0.000 0.199 45 R C 0.918 177.180 176.300 -0.063 0.000 0.920 45 R CA -0.267 55.817 56.100 -0.026 0.000 1.046 45 R CB 0.017 30.299 30.300 -0.029 0.000 0.984 45 R HN 0.355 nan 8.270 nan 0.000 0.493 46 R N 0.870 121.285 120.500 -0.141 0.000 2.585 46 R HA -0.148 4.197 4.340 0.008 0.000 0.275 46 R C -0.397 175.713 176.300 -0.317 0.000 1.018 46 R CA 0.728 56.614 56.100 -0.357 0.000 1.072 46 R CB 0.136 30.071 30.300 -0.609 0.000 0.953 46 R HN 0.134 nan 8.270 nan 0.000 0.419 47 F N -0.943 119.015 119.950 0.014 0.000 2.619 47 F HA -0.316 4.216 4.527 0.008 0.000 0.425 47 F C 0.165 175.954 175.800 -0.018 0.000 0.575 47 F CA 0.715 58.701 58.000 -0.024 0.000 1.289 47 F CB -1.671 37.304 39.000 -0.041 0.000 1.859 47 F HN 0.466 nan 8.300 nan 0.000 0.280 48 M N 1.311 120.977 119.600 0.109 0.000 2.342 48 M HA 0.403 4.888 4.480 0.008 0.000 0.332 48 M C -1.986 174.344 176.300 0.050 0.000 1.166 48 M CA -1.494 53.852 55.300 0.077 0.000 1.086 48 M CB 0.627 33.260 32.600 0.056 0.000 1.541 48 M HN -0.370 nan 8.290 nan 0.000 0.462 49 P HA 0.016 nan 4.420 nan 0.000 0.266 49 P C -2.410 174.920 177.300 0.050 0.000 1.186 49 P CA -0.401 62.734 63.100 0.057 0.000 0.767 49 P CB -0.503 31.239 31.700 0.070 0.000 0.820 50 P HA 0.126 nan 4.420 nan 0.000 0.271 50 P C -0.610 176.723 177.300 0.055 0.000 1.218 50 P CA 0.157 63.283 63.100 0.043 0.000 0.780 50 P CB 0.870 32.617 31.700 0.078 0.000 0.901 51 E N 3.272 123.490 120.200 0.030 0.000 2.191 51 E HA 0.342 4.697 4.350 0.008 0.000 0.278 51 E C -2.248 174.384 176.600 0.053 0.000 0.972 51 E CA -2.349 54.078 56.400 0.044 0.000 0.804 51 E CB 0.497 30.214 29.700 0.029 0.000 1.110 51 E HN 0.344 nan 8.360 nan 0.000 0.394 52 P HA -0.101 nan 4.420 nan 0.000 0.264 52 P C -0.621 176.742 177.300 0.105 0.000 1.183 52 P CA 0.027 63.205 63.100 0.129 0.000 0.763 52 P CB 0.378 32.157 31.700 0.131 0.000 0.807 53 K N 4.036 124.514 120.400 0.131 0.000 2.448 53 K HA 0.029 4.354 4.320 0.008 0.000 0.278 53 K C -0.004 176.694 176.600 0.162 0.000 1.009 53 K CA 0.512 56.881 56.287 0.135 0.000 0.995 53 K CB 0.259 32.880 32.500 0.201 0.000 0.917 53 K HN 0.296 nan 8.250 nan 0.000 0.481 54 R N 4.853 125.438 120.500 0.141 0.000 2.410 54 R HA 0.280 4.625 4.340 0.008 0.000 0.288 54 R C -2.057 174.326 176.300 0.138 0.000 1.051 54 R CA -1.982 54.183 56.100 0.109 0.000 1.021 54 R CB 0.453 30.801 30.300 0.079 0.000 1.032 54 R HN 0.592 nan 8.270 nan 0.000 0.481 55 P HA -0.117 nan 4.420 nan 0.000 0.266 55 P C -1.072 176.229 177.300 0.002 0.000 1.193 55 P CA 0.247 63.250 63.100 -0.161 0.000 0.770 55 P CB 0.272 31.855 31.700 -0.193 0.000 0.836 56 W N 1.221 122.557 121.300 0.060 0.000 2.671 56 W HA 0.704 5.369 4.660 0.008 0.000 0.360 56 W C -0.566 175.980 176.519 0.045 0.000 1.128 56 W CA -0.960 56.416 57.345 0.053 0.000 1.184 56 W CB 0.034 29.532 29.460 0.064 0.000 1.415 56 W HN 0.383 nan 8.180 nan 0.000 0.604 57 S N 1.064 116.942 115.700 0.296 0.000 2.593 57 S HA 0.865 5.339 4.470 0.008 0.000 0.297 57 S C 0.279 175.043 174.600 0.274 0.000 1.112 57 S CA -0.046 58.261 58.200 0.179 0.000 1.043 57 S CB 1.002 64.266 63.200 0.106 0.000 1.054 57 S HN 2.184 nan 8.310 nan 0.000 0.516 58 G N 0.152 109.067 108.800 0.192 0.000 2.693 58 G HA2 -0.116 3.849 3.960 0.008 0.000 0.226 58 G HA3 -0.116 3.849 3.960 0.008 0.000 0.226 58 G C -0.790 174.269 174.900 0.265 0.000 1.354 58 G CA -0.420 44.789 45.100 0.182 0.000 0.873 58 G HN 1.644 nan 8.290 nan 0.000 0.562 59 V N 0.932 120.960 119.914 0.190 0.000 2.364 59 V HA 0.503 4.628 4.120 0.008 0.000 0.272 59 V C 0.957 177.134 176.094 0.137 0.000 1.036 59 V CA -0.185 62.233 62.300 0.197 0.000 0.880 59 V CB 1.117 33.016 31.823 0.128 0.000 0.991 59 V HN 0.821 nan 8.190 nan 0.000 0.460 60 L N 4.733 126.034 121.223 0.131 0.000 2.360 60 L HA 0.301 4.646 4.340 0.008 0.000 0.276 60 L C 0.620 177.464 176.870 -0.044 0.000 1.121 60 L CA 0.089 54.850 54.840 -0.131 0.000 0.845 60 L CB 0.585 42.288 42.059 -0.593 0.000 1.143 60 L HN 0.667 nan 8.230 nan 0.000 0.452 61 D N 4.812 125.168 120.400 -0.074 0.000 2.358 61 D HA 0.135 4.780 4.640 0.008 0.000 0.258 61 D C -0.312 175.939 176.300 -0.081 0.000 1.223 61 D CA 0.126 54.092 54.000 -0.057 0.000 0.886 61 D CB 1.399 42.156 40.800 -0.071 0.000 1.120 61 D HN 0.694 nan 8.370 nan 0.000 0.482 62 A N 3.140 125.938 122.820 -0.037 0.000 3.041 62 A HA 0.185 4.510 4.320 0.008 0.000 0.307 62 A C 1.016 178.512 177.584 -0.147 0.000 1.116 62 A CA -0.432 51.577 52.037 -0.047 0.000 1.001 62 A CB -0.089 18.992 19.000 0.136 0.000 1.112 62 A HN 0.556 nan 8.150 nan 0.000 0.556 63 T N -3.263 111.182 114.554 -0.182 0.000 3.023 63 T HA 0.267 4.621 4.350 0.008 0.000 0.253 63 T C 0.678 175.207 174.700 -0.285 0.000 1.038 63 T CA 0.767 62.728 62.100 -0.232 0.000 0.962 63 T CB -0.194 68.572 68.868 -0.171 0.000 1.018 63 T HN 0.719 nan 8.240 nan 0.000 0.521 64 T N -0.571 113.811 114.554 -0.287 0.000 2.900 64 T HA 0.690 5.044 4.350 0.008 0.000 0.303 64 T C -0.811 173.707 174.700 -0.302 0.000 1.142 64 T CA -0.902 61.016 62.100 -0.303 0.000 1.007 64 T CB 1.044 69.807 68.868 -0.174 0.000 1.156 64 T HN -0.010 nan 8.240 nan 0.000 0.490 65 F N 2.043 121.914 119.950 -0.132 0.000 2.553 65 F HA 0.317 4.849 4.527 0.008 0.000 0.356 65 F C 1.487 177.173 175.800 -0.191 0.000 1.142 65 F CA -0.084 57.837 58.000 -0.132 0.000 1.322 65 F CB 0.451 39.402 39.000 -0.082 0.000 1.126 65 F HN 0.489 nan 8.300 nan 0.000 0.599 66 Q N 1.314 121.103 119.800 -0.018 0.000 2.189 66 Q HA 0.198 4.543 4.340 0.008 0.000 0.193 66 Q C -0.188 175.734 176.000 -0.130 0.000 1.034 66 Q CA -0.737 54.902 55.803 -0.273 0.000 1.062 66 Q CB 0.530 28.778 28.738 -0.816 0.000 1.118 66 Q HN 0.512 nan 8.270 nan 0.000 0.569 67 N N -0.180 118.424 118.700 -0.160 0.000 2.345 67 N HA -0.022 4.723 4.740 0.008 0.000 0.243 67 N C -0.516 174.979 175.510 -0.024 0.000 1.246 67 N CA 0.193 53.202 53.050 -0.069 0.000 0.863 67 N CB 0.295 38.762 38.487 -0.033 0.000 1.096 67 N HN 0.175 nan 8.380 nan 0.000 0.446 68 V N 1.742 121.611 119.914 -0.075 0.000 2.607 68 V HA 0.084 4.209 4.120 0.008 0.000 0.289 68 V C 0.634 176.674 176.094 -0.091 0.000 1.053 68 V CA -0.827 61.416 62.300 -0.094 0.000 0.996 68 V CB 1.015 32.743 31.823 -0.159 0.000 0.995 68 V HN 0.703 nan 8.190 nan 0.000 0.476 69 c N 4.161 122.726 118.600 -0.059 0.000 2.642 69 c HA 0.141 4.716 4.570 0.008 0.000 0.420 69 c C 0.512 174.550 174.090 -0.086 0.000 1.349 69 c CA -0.667 55.632 56.329 -0.051 0.000 1.821 69 c CB -1.083 41.427 42.510 0.001 0.000 2.637 69 c HN 0.753 nan 8.230 nan 0.000 0.605 70 Y N 3.709 123.857 120.300 -0.253 0.000 2.810 70 Y HA 0.166 4.721 4.550 0.008 0.000 0.332 70 Y C 0.877 176.754 175.900 -0.038 0.000 1.243 70 Y CA 1.145 59.084 58.100 -0.268 0.000 1.537 70 Y CB 0.176 38.245 38.460 -0.653 0.000 1.265 70 Y HN 0.750 nan 8.280 nan 0.000 0.572 71 Q N 4.005 123.874 119.800 0.114 0.000 2.578 71 Q HA 0.201 4.546 4.340 0.008 0.000 0.284 71 Q C -1.876 174.285 176.000 0.269 0.000 0.960 71 Q CA -1.199 54.770 55.803 0.276 0.000 0.809 71 Q CB 1.105 29.945 28.738 0.170 0.000 1.462 71 Q HN 0.657 nan 8.270 nan 0.000 0.392 72 Y N 1.235 121.696 120.300 0.269 0.000 2.610 72 Y HA 0.334 4.889 4.550 0.008 0.000 0.332 72 Y C -0.913 175.092 175.900 0.174 0.000 1.201 72 Y CA 0.346 58.574 58.100 0.213 0.000 1.465 72 Y CB 0.885 39.474 38.460 0.216 0.000 1.283 72 Y HN 0.453 nan 8.280 nan 0.000 0.563 73 V N 6.593 126.186 119.914 -0.534 0.000 2.417 73 V HA 0.118 4.243 4.120 0.008 0.000 0.291 73 V C -0.447 175.354 176.094 -0.487 0.000 1.024 73 V CA -1.051 61.039 62.300 -0.350 0.000 0.861 73 V CB 1.502 33.186 31.823 -0.232 0.000 0.985 73 V HN 0.735 nan 8.190 nan 0.000 0.436 74 D N 3.602 123.949 120.400 -0.088 0.000 2.371 74 D HA 0.129 4.774 4.640 0.008 0.000 0.256 74 D C 0.904 177.252 176.300 0.080 0.000 1.193 74 D CA 0.200 54.267 54.000 0.112 0.000 0.881 74 D CB 1.511 42.486 40.800 0.291 0.000 1.143 74 D HN 0.748 nan 8.370 nan 0.000 0.473 75 T N 1.318 115.918 114.554 0.076 0.000 3.200 75 T HA 0.046 4.401 4.350 0.008 0.000 0.284 75 T C 1.588 176.311 174.700 0.039 0.000 1.009 75 T CA -0.465 61.665 62.100 0.050 0.000 0.907 75 T CB -0.038 68.830 68.868 -0.000 0.000 1.120 75 T HN 0.220 nan 8.240 nan 0.000 0.534 76 L N 0.825 122.067 121.223 0.032 0.000 2.012 76 L HA 0.188 4.533 4.340 0.008 0.000 0.210 76 L C -0.285 176.337 176.870 -0.413 0.000 1.073 76 L CA 1.614 56.301 54.840 -0.255 0.000 0.748 76 L CB -0.356 41.422 42.059 -0.469 0.000 0.891 76 L HN 0.425 nan 8.230 nan 0.000 0.431 77 Y N -0.257 120.092 120.300 0.083 0.000 2.749 77 Y HA 0.427 4.982 4.550 0.008 0.000 0.343 77 Y C -2.191 173.772 175.900 0.105 0.000 1.015 77 Y CA -3.701 54.420 58.100 0.036 0.000 1.270 77 Y CB -0.133 38.283 38.460 -0.072 0.000 1.097 77 Y HN 0.034 nan 8.280 nan 0.000 0.571 78 P HA 0.082 nan 4.420 nan 0.000 0.260 78 P C 1.025 178.399 177.300 0.123 0.000 1.185 78 P CA 1.604 64.777 63.100 0.121 0.000 0.763 78 P CB 0.560 32.303 31.700 0.071 0.000 0.776 79 G N 2.907 111.766 108.800 0.099 0.000 2.205 79 G HA2 -0.294 3.670 3.960 0.008 0.000 0.261 79 G HA3 -0.294 3.670 3.960 0.008 0.000 0.261 79 G C -0.002 174.944 174.900 0.078 0.000 0.980 79 G CA -0.361 44.775 45.100 0.059 0.000 0.632 79 G HN 0.545 nan 8.290 nan 0.000 0.533 80 F N 2.079 122.004 119.950 -0.041 0.000 2.445 80 F HA 0.614 5.145 4.527 0.008 0.000 0.359 80 F C 1.348 177.076 175.800 -0.121 0.000 1.101 80 F CA -0.429 57.503 58.000 -0.114 0.000 1.177 80 F CB 1.320 40.232 39.000 -0.146 0.000 1.110 80 F HN 0.116 nan 8.300 nan 0.000 0.522 81 E N 3.960 123.735 120.200 -0.708 0.000 2.160 81 E HA -0.098 4.257 4.350 0.008 0.000 0.195 81 E C 2.155 178.297 176.600 -0.763 0.000 0.991 81 E CA 1.860 57.888 56.400 -0.621 0.000 0.810 81 E CB -0.463 28.945 29.700 -0.488 0.000 0.742 81 E HN 0.908 nan 8.360 nan 0.000 0.466 82 G N -0.845 106.973 108.800 -1.637 0.000 2.422 82 G HA2 -0.262 3.703 3.960 0.008 0.000 0.218 82 G HA3 -0.262 3.703 3.960 0.008 0.000 0.218 82 G C 1.688 176.689 174.900 0.168 0.000 1.140 82 G CA 1.482 45.990 45.100 -0.986 0.000 0.775 82 G HN 0.482 nan 8.290 nan 0.000 0.545 83 T N -1.941 112.698 114.554 0.141 0.000 3.033 83 T HA 0.126 4.480 4.350 0.008 0.000 0.248 83 T C 1.927 176.817 174.700 0.316 0.000 1.040 83 T CA 0.815 63.257 62.100 0.571 0.000 1.133 83 T CB 0.077 69.331 68.868 0.642 0.000 0.895 83 T HN 0.102 nan 8.240 nan 0.000 0.465 84 E N 2.323 122.557 120.200 0.057 0.000 2.106 84 E HA -0.079 4.276 4.350 0.008 0.000 0.192 84 E C 2.270 178.791 176.600 -0.131 0.000 0.984 84 E CA 1.396 57.781 56.400 -0.025 0.000 0.806 84 E CB -0.535 29.114 29.700 -0.084 0.000 0.750 84 E HN 0.807 nan 8.360 nan 0.000 0.458 85 M N -2.030 117.401 119.600 -0.282 0.000 2.435 85 M HA -0.095 4.390 4.480 0.008 0.000 0.262 85 M C 1.308 177.224 176.300 -0.641 0.000 1.065 85 M CA 1.467 56.452 55.300 -0.525 0.000 1.076 85 M CB -0.578 31.594 32.600 -0.714 0.000 1.403 85 M HN -0.001 nan 8.290 nan 0.000 0.454 86 W N 0.876 122.099 121.300 -0.129 0.000 3.077 86 W HA 0.275 4.940 4.660 0.008 0.000 0.266 86 W C 0.422 176.854 176.519 -0.146 0.000 1.300 86 W CA -0.851 56.403 57.345 -0.152 0.000 1.586 86 W CB -0.254 29.163 29.460 -0.071 0.000 1.103 86 W HN 0.111 nan 8.180 nan 0.000 0.652 87 N N 1.470 120.193 118.700 0.038 0.000 2.503 87 N HA 0.133 4.877 4.740 0.008 0.000 0.267 87 N C -2.393 173.053 175.510 -0.106 0.000 1.214 87 N CA -1.533 51.508 53.050 -0.015 0.000 0.959 87 N CB -0.114 38.365 38.487 -0.013 0.000 1.142 87 N HN -0.341 nan 8.380 nan 0.000 0.455 88 P HA 0.008 nan 4.420 nan 0.000 0.264 88 P C 0.241 177.444 177.300 -0.161 0.000 1.183 88 P CA 0.218 63.220 63.100 -0.163 0.000 0.763 88 P CB 0.313 31.914 31.700 -0.165 0.000 0.807 89 N N 2.207 120.797 118.700 -0.184 0.000 2.200 89 N HA 0.092 4.837 4.740 0.008 0.000 0.224 89 N C 0.108 175.537 175.510 -0.134 0.000 1.179 89 N CA -0.034 52.918 53.050 -0.163 0.000 0.877 89 N CB 0.505 38.876 38.487 -0.194 0.000 1.072 89 N HN 0.159 nan 8.380 nan 0.000 0.519 90 R N 0.194 120.612 120.500 -0.136 0.000 2.869 90 R HA 0.276 4.620 4.340 0.008 0.000 0.263 90 R C -0.659 175.569 176.300 -0.120 0.000 1.066 90 R CA -0.658 55.379 56.100 -0.105 0.000 0.960 90 R CB 1.118 31.366 30.300 -0.086 0.000 1.221 90 R HN 0.285 nan 8.270 nan 0.000 0.474 91 E N 1.571 121.708 120.200 -0.106 0.000 2.414 91 E HA 0.027 4.382 4.350 0.008 0.000 0.263 91 E C -0.477 176.031 176.600 -0.152 0.000 1.000 91 E CA -0.073 56.257 56.400 -0.117 0.000 0.914 91 E CB 0.551 30.199 29.700 -0.087 0.000 0.948 91 E HN 0.277 nan 8.360 nan 0.000 0.444 92 L N 3.490 124.576 121.223 -0.228 0.000 2.367 92 L HA 0.226 4.570 4.340 0.008 0.000 0.275 92 L C 0.348 177.086 176.870 -0.220 0.000 1.129 92 L CA 0.029 54.648 54.840 -0.368 0.000 0.839 92 L CB 1.043 42.630 42.059 -0.787 0.000 1.133 92 L HN 0.461 nan 8.230 nan 0.000 0.453 93 S N 1.156 116.798 115.700 -0.097 0.000 2.552 93 S HA 0.202 4.676 4.470 0.008 0.000 0.272 93 S C 0.257 174.870 174.600 0.022 0.000 1.150 93 S CA -0.685 57.552 58.200 0.062 0.000 0.849 93 S CB 1.597 64.807 63.200 0.015 0.000 1.113 93 S HN 0.739 nan 8.310 nan 0.000 0.458 94 E N 0.903 121.082 120.200 -0.034 0.000 2.274 94 E HA -0.069 4.286 4.350 0.008 0.000 0.194 94 E C -0.277 176.274 176.600 -0.082 0.000 0.996 94 E CA 0.557 56.863 56.400 -0.156 0.000 0.840 94 E CB 0.057 29.625 29.700 -0.220 0.000 0.772 94 E HN 0.553 nan 8.360 nan 0.000 0.491 95 D N 0.467 120.851 120.400 -0.027 0.000 2.470 95 D HA -0.009 4.636 4.640 0.008 0.000 0.226 95 D C 0.080 176.454 176.300 0.124 0.000 1.196 95 D CA -0.263 53.746 54.000 0.014 0.000 0.979 95 D CB -0.001 40.826 40.800 0.046 0.000 1.059 95 D HN 0.154 nan 8.370 nan 0.000 0.515 96 c N 2.405 121.036 118.600 0.052 0.000 4.015 96 c HA 0.363 4.938 4.570 0.008 0.000 0.323 96 c C 0.631 174.758 174.090 0.063 0.000 1.724 96 c CA -0.655 55.771 56.329 0.161 0.000 1.828 96 c CB -1.208 41.338 42.510 0.060 0.000 3.083 96 c HN 0.438 nan 8.230 nan 0.000 0.640 97 L N 2.601 123.592 121.223 -0.386 0.000 2.384 97 L HA 0.404 4.749 4.340 0.008 0.000 0.258 97 L C -0.941 175.278 176.870 -1.084 0.000 1.266 97 L CA 0.476 54.900 54.840 -0.694 0.000 1.162 97 L CB -0.616 40.929 42.059 -0.857 0.000 1.375 97 L HN 0.390 nan 8.230 nan 0.000 0.420 98 Y N 1.877 122.141 120.300 -0.060 0.000 2.576 98 Y HA 0.655 5.209 4.550 0.008 0.000 0.346 98 Y C -0.084 176.017 175.900 0.334 0.000 1.018 98 Y CA -1.203 56.949 58.100 0.087 0.000 1.050 98 Y CB 2.031 40.498 38.460 0.012 0.000 1.280 98 Y HN 0.197 nan 8.280 nan 0.000 0.474 99 L N -0.218 121.206 121.223 0.334 0.000 2.303 99 L HA 0.787 5.132 4.340 0.008 0.000 0.256 99 L C -1.406 175.460 176.870 -0.006 0.000 1.034 99 L CA -1.151 53.754 54.840 0.108 0.000 0.832 99 L CB 1.905 43.848 42.059 -0.194 0.000 1.403 99 L HN 0.484 nan 8.230 nan 0.000 0.419 100 N N 0.059 118.745 118.700 -0.022 0.000 2.225 100 N HA 0.736 5.481 4.740 0.008 0.000 0.298 100 N C -1.578 173.813 175.510 -0.198 0.000 1.076 100 N CA -0.398 52.554 53.050 -0.163 0.000 0.792 100 N CB 2.897 41.289 38.487 -0.158 0.000 1.498 100 N HN 0.520 nan 8.380 nan 0.000 0.474 101 V N 1.507 121.229 119.914 -0.321 0.000 2.577 101 V HA 0.477 4.601 4.120 0.008 0.000 0.303 101 V C -0.822 175.196 176.094 -0.128 0.000 1.042 101 V CA -0.781 61.429 62.300 -0.150 0.000 0.872 101 V CB 2.170 33.787 31.823 -0.345 0.000 0.998 101 V HN 0.543 nan 8.190 nan 0.000 0.423 102 W N 2.864 124.249 121.300 0.142 0.000 2.573 102 W HA 0.708 5.373 4.660 0.009 0.000 0.326 102 W C 0.150 176.771 176.519 0.168 0.000 1.049 102 W CA -0.461 56.972 57.345 0.148 0.000 1.220 102 W CB 2.464 31.990 29.460 0.110 0.000 1.373 102 W HN 0.653 nan 8.180 nan 0.000 0.507 103 T N -0.099 114.702 114.554 0.411 0.000 2.864 103 T HA 0.510 4.865 4.350 0.008 0.000 0.299 103 T C -2.856 172.015 174.700 0.285 0.000 1.166 103 T CA -2.371 59.928 62.100 0.331 0.000 1.007 103 T CB 2.223 71.309 68.868 0.364 0.000 1.219 103 T HN -0.094 nan 8.240 nan 0.000 0.506 104 P HA 0.204 nan 4.420 nan 0.000 0.269 104 P C -1.566 175.881 177.300 0.244 0.000 1.217 104 P CA -0.087 63.131 63.100 0.197 0.000 0.783 104 P CB 0.079 31.864 31.700 0.142 0.000 0.898 105 Y N 2.351 122.703 120.300 0.088 0.000 2.346 105 Y HA 0.421 4.976 4.550 0.008 0.000 0.332 105 Y C -2.294 173.639 175.900 0.056 0.000 0.985 105 Y CA -2.411 55.734 58.100 0.076 0.000 1.112 105 Y CB 1.231 39.723 38.460 0.053 0.000 1.170 105 Y HN 0.331 nan 8.280 nan 0.000 0.447 106 P HA 0.245 nan 4.420 nan 0.000 0.274 106 P C -0.841 176.410 177.300 -0.082 0.000 1.256 106 P CA -0.388 62.482 63.100 -0.383 0.000 0.795 106 P CB 1.165 32.688 31.700 -0.294 0.000 1.038 107 R N 0.407 120.882 120.500 -0.040 0.000 2.734 107 R HA 0.201 4.545 4.340 0.008 0.000 0.266 107 R C -1.844 174.483 176.300 0.046 0.000 1.044 107 R CA -1.133 55.007 56.100 0.066 0.000 1.128 107 R CB -0.953 29.408 30.300 0.102 0.000 1.010 107 R HN 0.421 nan 8.270 nan 0.000 0.461 108 P HA -0.047 nan 4.420 nan 0.000 0.265 108 P C -0.340 176.980 177.300 0.033 0.000 1.193 108 P CA 0.339 63.472 63.100 0.054 0.000 0.765 108 P CB 0.812 32.554 31.700 0.070 0.000 0.823 109 A N 2.479 125.310 122.820 0.019 0.000 2.021 109 A HA 0.069 4.394 4.320 0.008 0.000 0.216 109 A C 0.924 178.512 177.584 0.008 0.000 1.163 109 A CA 1.072 53.113 52.037 0.007 0.000 0.676 109 A CB -0.517 18.483 19.000 0.001 0.000 0.818 109 A HN 0.608 nan 8.150 nan 0.000 0.453 110 S N -0.591 115.117 115.700 0.013 0.000 2.578 110 S HA 0.627 5.102 4.470 0.008 0.000 0.301 110 S C -3.176 171.435 174.600 0.018 0.000 1.091 110 S CA -1.906 56.300 58.200 0.010 0.000 1.032 110 S CB 1.117 64.320 63.200 0.006 0.000 1.064 110 S HN -0.003 nan 8.310 nan 0.000 0.508 111 P HA 0.185 nan 4.420 nan 0.000 0.260 111 P C -0.655 176.659 177.300 0.024 0.000 1.185 111 P CA 0.281 63.394 63.100 0.021 0.000 0.763 111 P CB 0.016 31.720 31.700 0.006 0.000 0.776 112 T N 5.575 120.155 114.554 0.043 0.000 2.824 112 T HA 0.403 4.758 4.350 0.008 0.000 0.280 112 T C -2.396 172.332 174.700 0.046 0.000 0.995 112 T CA -1.934 60.193 62.100 0.045 0.000 1.009 112 T CB 0.802 69.711 68.868 0.068 0.000 0.955 112 T HN 0.138 nan 8.240 nan 0.000 0.452 113 P HA 0.119 nan 4.420 nan 0.000 0.265 113 P C -0.881 176.456 177.300 0.062 0.000 1.187 113 P CA -0.154 62.961 63.100 0.025 0.000 0.766 113 P CB 0.388 32.085 31.700 -0.005 0.000 0.820 114 V N 4.831 124.797 119.914 0.086 0.000 2.483 114 V HA 0.352 4.477 4.120 0.008 0.000 0.295 114 V C 0.274 176.450 176.094 0.136 0.000 1.035 114 V CA -0.522 61.855 62.300 0.128 0.000 0.896 114 V CB 1.339 33.254 31.823 0.153 0.000 0.986 114 V HN 0.340 nan 8.190 nan 0.000 0.447 115 L N 5.590 126.910 121.223 0.163 0.000 2.322 115 L HA 0.624 4.969 4.340 0.008 0.000 0.281 115 L C -0.709 176.400 176.870 0.398 0.000 1.014 115 L CA -0.383 54.578 54.840 0.201 0.000 0.815 115 L CB 1.815 43.893 42.059 0.032 0.000 1.247 115 L HN 0.479 nan 8.230 nan 0.000 0.421 116 I N 2.633 123.486 120.570 0.472 0.000 2.389 116 I HA 0.239 4.414 4.170 0.008 0.000 0.288 116 I C -0.778 175.633 176.117 0.491 0.000 0.999 116 I CA -0.439 61.109 61.300 0.413 0.000 1.129 116 I CB 1.753 39.870 38.000 0.196 0.000 1.288 116 I HN 0.633 nan 8.210 nan 0.000 0.444 117 W N 8.515 129.925 121.300 0.184 0.000 2.390 117 W HA 0.579 5.243 4.660 0.007 0.000 0.312 117 W C -1.558 174.873 176.519 -0.146 0.000 1.123 117 W CA -0.625 56.612 57.345 -0.180 0.000 1.202 117 W CB 1.248 30.620 29.460 -0.147 0.000 1.251 117 W HN 0.352 nan 8.180 nan 0.000 0.511 118 I N 9.038 129.012 120.570 -0.994 0.000 2.382 118 I HA 0.081 4.256 4.170 0.008 0.000 0.285 118 I C -0.174 175.160 176.117 -1.305 0.000 1.007 118 I CA -1.118 59.645 61.300 -0.896 0.000 1.142 118 I CB 0.666 38.303 38.000 -0.604 0.000 1.289 118 I HN 0.307 nan 8.210 nan 0.000 0.453 119 Y N 4.601 124.430 120.300 -0.785 0.000 2.426 119 Y HA 0.645 5.199 4.550 0.008 0.000 0.344 119 Y C 0.796 176.527 175.900 -0.281 0.000 1.256 119 Y CA -0.685 57.081 58.100 -0.556 0.000 1.451 119 Y CB -0.051 38.306 38.460 -0.172 0.000 1.342 119 Y HN 0.524 nan 8.280 nan 0.000 0.600 120 G N -0.990 107.835 108.800 0.041 0.000 2.702 120 G HA2 0.492 4.457 3.960 0.008 0.000 0.254 120 G HA3 0.492 4.457 3.960 0.008 0.000 0.254 120 G C 0.274 175.149 174.900 -0.043 0.000 1.380 120 G CA -0.951 44.101 45.100 -0.080 0.000 1.042 120 G HN 1.730 nan 8.290 nan 0.000 0.557 121 G N -2.837 105.774 108.800 -0.316 0.000 2.192 121 G HA2 0.403 4.368 3.960 0.008 0.000 0.152 121 G HA3 0.403 4.368 3.960 0.008 0.000 0.152 121 G C 1.062 175.455 174.900 -0.845 0.000 1.057 121 G CA 0.731 45.527 45.100 -0.506 0.000 0.748 121 G HN 2.377 nan 8.290 nan 0.000 0.488 122 G N -0.687 107.586 108.800 -0.879 0.000 2.155 122 G HA2 -0.119 3.846 3.960 0.008 0.000 0.257 122 G HA3 -0.119 3.846 3.960 0.008 0.000 0.257 122 G C 0.900 175.503 174.900 -0.495 0.000 0.983 122 G CA 0.785 45.109 45.100 -1.293 0.000 0.676 122 G HN 1.790 nan 8.290 nan 0.000 0.528 123 F N -3.117 116.701 119.950 -0.220 0.000 2.871 123 F HA -0.303 4.229 4.527 0.008 0.000 0.326 123 F C 1.401 177.323 175.800 0.203 0.000 0.675 123 F CA 2.197 60.202 58.000 0.009 0.000 1.188 123 F CB -2.053 36.804 39.000 -0.239 0.000 1.567 123 F HN 0.984 nan 8.300 nan 0.000 0.325 124 Y N -1.140 119.279 120.300 0.198 0.000 2.527 124 Y HA 0.662 5.217 4.550 0.008 0.000 0.247 124 Y C 0.537 176.560 175.900 0.205 0.000 1.138 124 Y CA 0.199 58.454 58.100 0.258 0.000 1.228 124 Y CB -0.001 38.597 38.460 0.230 0.000 1.252 124 Y HN 0.093 nan 8.280 nan 0.000 0.531 125 S N -0.898 114.604 115.700 -0.329 0.000 2.672 125 S HA 0.875 5.350 4.470 0.008 0.000 0.271 125 S C -0.155 174.310 174.600 -0.224 0.000 1.171 125 S CA -0.500 57.551 58.200 -0.249 0.000 0.817 125 S CB 1.443 64.400 63.200 -0.406 0.000 1.150 125 S HN 1.405 nan 8.310 nan 0.000 0.478 126 G N -0.643 107.989 108.800 -0.280 0.000 2.497 126 G HA2 0.547 4.512 3.960 0.008 0.000 0.686 126 G HA3 0.547 4.512 3.960 0.008 0.000 0.686 126 G C -0.636 173.649 174.900 -1.024 0.000 1.288 126 G CA -0.276 44.501 45.100 -0.537 0.000 0.899 126 G HN 2.308 nan 8.290 nan 0.000 0.608 127 A N -1.266 120.741 122.820 -1.355 0.000 2.594 127 A HA 0.978 5.303 4.320 0.008 0.000 0.296 127 A C 0.535 177.879 177.584 -0.400 0.000 1.056 127 A CA 0.732 52.242 52.037 -0.879 0.000 0.693 127 A CB 0.802 19.556 19.000 -0.410 0.000 1.278 127 A HN 2.595 nan 8.150 nan 0.000 0.408 128 A N 0.530 123.362 122.820 0.021 0.000 2.206 128 A HA 0.265 4.590 4.320 0.008 0.000 0.211 128 A C 1.670 179.301 177.584 0.079 0.000 1.158 128 A CA 1.788 54.028 52.037 0.337 0.000 0.761 128 A CB -0.526 18.747 19.000 0.454 0.000 0.801 128 A HN 1.845 nan 8.150 nan 0.000 0.473 129 S N -0.532 114.980 115.700 -0.312 0.000 2.575 129 S HA 0.339 4.814 4.470 0.008 0.000 0.215 129 S C 0.457 174.607 174.600 -0.751 0.000 0.966 129 S CA -0.479 57.092 58.200 -1.048 0.000 0.911 129 S CB -0.575 61.873 63.200 -1.254 0.000 0.780 129 S HN 0.375 nan 8.310 nan 0.000 0.514 130 L N 2.116 123.056 121.223 -0.472 0.000 2.461 130 L HA 0.192 4.537 4.340 0.008 0.000 0.272 130 L C 1.195 177.730 176.870 -0.558 0.000 1.197 130 L CA -0.541 53.962 54.840 -0.562 0.000 0.836 130 L CB 0.194 41.795 42.059 -0.763 0.000 1.105 130 L HN 0.042 nan 8.230 nan 0.000 0.477 131 D N 1.046 121.163 120.400 -0.472 0.000 2.158 131 D HA -0.153 4.491 4.640 0.008 0.000 0.197 131 D C 1.973 177.987 176.300 -0.477 0.000 0.995 131 D CA 1.404 55.188 54.000 -0.360 0.000 0.846 131 D CB -0.080 40.546 40.800 -0.290 0.000 0.941 131 D HN 0.524 nan 8.370 nan 0.000 0.456 132 V N -1.474 117.996 119.914 -0.739 0.000 3.241 132 V HA -0.146 3.979 4.120 0.008 0.000 0.269 132 V C 0.981 176.476 176.094 -0.999 0.000 1.151 132 V CA 1.024 62.846 62.300 -0.796 0.000 1.158 132 V CB -1.130 30.161 31.823 -0.887 0.000 0.764 132 V HN 0.082 nan 8.190 nan 0.000 0.508 133 Y N -0.130 119.605 120.300 -0.942 0.000 2.555 133 Y HA 0.451 5.006 4.550 0.008 0.000 0.259 133 Y C 0.812 176.125 175.900 -0.978 0.000 1.179 133 Y CA -2.017 55.174 58.100 -1.515 0.000 1.230 133 Y CB -0.639 37.278 38.460 -0.904 0.000 1.146 133 Y HN 0.226 nan 8.280 nan 0.000 0.526 134 D N 0.971 121.076 120.400 -0.491 0.000 2.389 134 D HA 0.028 4.673 4.640 0.008 0.000 0.263 134 D C 1.426 177.390 176.300 -0.560 0.000 1.255 134 D CA 0.523 54.294 54.000 -0.382 0.000 0.914 134 D CB 1.165 41.888 40.800 -0.128 0.000 1.116 134 D HN 0.475 nan 8.370 nan 0.000 0.502 135 G N 3.995 111.859 108.800 -1.560 0.000 2.848 135 G HA2 -0.179 3.786 3.960 0.008 0.000 0.208 135 G HA3 -0.179 3.786 3.960 0.008 0.000 0.208 135 G C 1.487 175.862 174.900 -0.875 0.000 1.152 135 G CA 0.280 44.671 45.100 -1.181 0.000 0.789 135 G HN 0.624 nan 8.290 nan 0.000 0.531 136 R N -0.711 119.217 120.500 -0.953 0.000 2.120 136 R HA 0.003 4.348 4.340 0.008 0.000 0.234 136 R C 1.668 177.696 176.300 -0.454 0.000 1.123 136 R CA 1.196 56.954 56.100 -0.570 0.000 0.975 136 R CB -0.623 29.346 30.300 -0.552 0.000 0.866 136 R HN 0.317 nan 8.270 nan 0.000 0.446 137 F N 1.491 121.356 119.950 -0.143 0.000 2.128 137 F HA 0.066 4.598 4.527 0.009 0.000 0.295 137 F C 2.311 178.055 175.800 -0.094 0.000 1.100 137 F CA 0.718 58.656 58.000 -0.103 0.000 1.260 137 F CB -0.608 38.320 39.000 -0.120 0.000 1.009 137 F HN -0.144 nan 8.300 nan 0.000 0.476 138 L N 0.010 121.263 121.223 0.049 0.000 2.012 138 L HA -0.251 4.094 4.340 0.008 0.000 0.210 138 L C 2.759 179.635 176.870 0.010 0.000 1.073 138 L CA 1.293 56.123 54.840 -0.017 0.000 0.748 138 L CB -1.031 40.973 42.059 -0.092 0.000 0.891 138 L HN 0.199 nan 8.230 nan 0.000 0.431 139 A N -0.980 121.851 122.820 0.018 0.000 1.858 139 A HA -0.258 4.066 4.320 0.008 0.000 0.216 139 A C 2.292 179.917 177.584 0.068 0.000 1.190 139 A CA 1.702 53.786 52.037 0.078 0.000 0.617 139 A CB -0.564 18.522 19.000 0.145 0.000 0.827 139 A HN 0.404 nan 8.150 nan 0.000 0.443 140 Q N -0.224 119.599 119.800 0.039 0.000 2.016 140 Q HA -0.085 4.260 4.340 0.008 0.000 0.200 140 Q C 2.237 178.266 176.000 0.049 0.000 0.978 140 Q CA 2.045 57.875 55.803 0.046 0.000 0.833 140 Q CB -0.322 28.427 28.738 0.018 0.000 0.895 140 Q HN 0.416 nan 8.270 nan 0.000 0.427 141 V N 1.223 121.165 119.914 0.048 0.000 2.407 141 V HA -0.116 4.008 4.120 0.008 0.000 0.245 141 V C 1.774 177.883 176.094 0.024 0.000 1.041 141 V CA 1.528 63.850 62.300 0.037 0.000 1.040 141 V CB -0.184 31.660 31.823 0.034 0.000 0.671 141 V HN 0.243 nan 8.190 nan 0.000 0.455 142 E N -0.191 120.022 120.200 0.021 0.000 2.474 142 E HA 0.186 4.541 4.350 0.008 0.000 0.195 142 E C 1.750 178.367 176.600 0.029 0.000 1.039 142 E CA 0.741 57.150 56.400 0.015 0.000 0.881 142 E CB 0.420 30.120 29.700 0.000 0.000 0.970 142 E HN 0.599 nan 8.360 nan 0.000 0.486 143 G N 1.670 110.496 108.800 0.044 0.000 2.153 143 G HA2 -0.332 3.633 3.960 0.008 0.000 0.252 143 G HA3 -0.332 3.633 3.960 0.008 0.000 0.252 143 G C 0.575 175.517 174.900 0.070 0.000 0.994 143 G CA 0.412 45.547 45.100 0.060 0.000 0.698 143 G HN 0.505 nan 8.290 nan 0.000 0.521 144 A N -0.796 122.063 122.820 0.065 0.000 2.386 144 A HA 0.653 4.978 4.320 0.008 0.000 0.248 144 A C 0.590 178.251 177.584 0.128 0.000 1.082 144 A CA 0.309 52.392 52.037 0.076 0.000 0.789 144 A CB 0.985 20.012 19.000 0.046 0.000 1.025 144 A HN 1.120 nan 8.150 nan 0.000 0.490 145 V N 2.663 122.662 119.914 0.142 0.000 2.383 145 V HA 0.373 4.498 4.120 0.008 0.000 0.275 145 V C -0.119 176.108 176.094 0.222 0.000 1.036 145 V CA -0.072 62.343 62.300 0.191 0.000 0.889 145 V CB 0.790 32.718 31.823 0.175 0.000 0.985 145 V HN 0.708 nan 8.190 nan 0.000 0.459 146 L N 6.373 127.783 121.223 0.311 0.000 2.333 146 L HA 0.737 5.082 4.340 0.008 0.000 0.280 146 L C -0.808 176.357 176.870 0.491 0.000 1.004 146 L CA -0.263 54.813 54.840 0.394 0.000 0.820 146 L CB 1.880 44.164 42.059 0.375 0.000 1.247 146 L HN 0.436 nan 8.230 nan 0.000 0.416 147 V N 3.060 123.233 119.914 0.431 0.000 2.555 147 V HA 0.722 4.846 4.120 0.008 0.000 0.302 147 V C -0.384 175.969 176.094 0.432 0.000 1.038 147 V CA -0.449 62.066 62.300 0.359 0.000 0.887 147 V CB 1.936 33.893 31.823 0.224 0.000 0.991 147 V HN 0.849 nan 8.190 nan 0.000 0.434 148 S N 5.017 120.966 115.700 0.416 0.000 2.541 148 S HA 0.874 5.349 4.470 0.008 0.000 0.280 148 S C -0.824 173.931 174.600 0.259 0.000 1.112 148 S CA -0.836 57.607 58.200 0.406 0.000 0.925 148 S CB 2.242 65.806 63.200 0.607 0.000 1.067 148 S HN 0.856 nan 8.310 nan 0.000 0.479 149 M N 1.334 121.051 119.600 0.196 0.000 2.602 149 M HA 0.639 5.124 4.480 0.008 0.000 0.312 149 M C -1.617 174.903 176.300 0.365 0.000 1.181 149 M CA -0.565 54.843 55.300 0.180 0.000 0.910 149 M CB 1.142 33.673 32.600 -0.114 0.000 1.723 149 M HN 0.537 nan 8.290 nan 0.000 0.459 150 N N 2.708 121.679 118.700 0.453 0.000 2.529 150 N HA 0.544 5.289 4.740 0.008 0.000 0.278 150 N C -1.350 174.433 175.510 0.455 0.000 1.146 150 N CA 0.163 53.487 53.050 0.456 0.000 0.980 150 N CB 0.445 39.131 38.487 0.331 0.000 1.124 150 N HN 0.713 nan 8.380 nan 0.000 0.458 151 Y N -1.944 118.534 120.300 0.297 0.000 2.553 151 Y HA 0.558 5.113 4.550 0.008 0.000 0.347 151 Y C -0.049 175.988 175.900 0.228 0.000 1.019 151 Y CA -1.360 56.869 58.100 0.215 0.000 1.032 151 Y CB 0.885 39.414 38.460 0.114 0.000 1.284 151 Y HN 0.196 nan 8.280 nan 0.000 0.466 152 R N 1.865 122.514 120.500 0.248 0.000 2.570 152 R HA 0.442 4.787 4.340 0.008 0.000 0.277 152 R C -0.230 176.244 176.300 0.289 0.000 1.039 152 R CA -0.083 56.121 56.100 0.174 0.000 1.065 152 R CB 0.649 31.017 30.300 0.112 0.000 0.964 152 R HN 0.714 nan 8.270 nan 0.000 0.428 153 V N -0.023 120.089 119.914 0.331 0.000 3.166 153 V HA 0.889 5.014 4.120 0.008 0.000 0.317 153 V C 0.780 177.229 176.094 0.590 0.000 1.136 153 V CA -0.098 62.520 62.300 0.530 0.000 1.035 153 V CB 1.214 33.250 31.823 0.356 0.000 1.110 153 V HN 0.975 nan 8.190 nan 0.000 0.450 154 G N 1.697 110.896 108.800 0.664 0.000 2.575 154 G HA2 -0.280 3.685 3.960 0.008 0.000 0.267 154 G HA3 -0.280 3.685 3.960 0.008 0.000 0.267 154 G C 1.009 176.098 174.900 0.315 0.000 1.264 154 G CA 1.392 46.819 45.100 0.544 0.000 0.935 154 G HN 2.378 nan 8.290 nan 0.000 0.568 155 T N -1.775 112.685 114.554 -0.157 0.000 2.665 155 T HA -0.159 4.196 4.350 0.008 0.000 0.268 155 T C 2.142 176.718 174.700 -0.206 0.000 1.035 155 T CA 2.775 64.528 62.100 -0.578 0.000 1.151 155 T CB -0.504 67.866 68.868 -0.831 0.000 0.862 155 T HN 0.694 nan 8.240 nan 0.000 0.438 156 F N 2.260 122.265 119.950 0.091 0.000 2.202 156 F HA 0.162 4.693 4.527 0.008 0.000 0.301 156 F C 2.773 178.572 175.800 -0.001 0.000 1.082 156 F CA 0.966 58.971 58.000 0.007 0.000 1.313 156 F CB -0.950 38.031 39.000 -0.030 0.000 1.024 156 F HN 0.408 nan 8.300 nan 0.000 0.495 157 G N -2.375 106.507 108.800 0.137 0.000 2.796 157 G HA2 0.056 4.021 3.960 0.008 0.000 0.210 157 G HA3 0.056 4.021 3.960 0.008 0.000 0.210 157 G C 0.907 175.344 174.900 -0.772 0.000 1.146 157 G CA 0.201 45.120 45.100 -0.301 0.000 0.779 157 G HN 0.348 nan 8.290 nan 0.000 0.535 158 F N -0.755 119.301 119.950 0.176 0.000 2.925 158 F HA 0.422 4.954 4.527 0.009 0.000 0.355 158 F C 0.543 176.449 175.800 0.177 0.000 1.073 158 F CA -0.983 57.108 58.000 0.152 0.000 1.127 158 F CB 0.328 39.431 39.000 0.173 0.000 1.123 158 F HN -0.090 nan 8.300 nan 0.000 0.551 159 L N 2.129 123.446 121.223 0.157 0.000 2.499 159 L HA 0.503 4.848 4.340 0.008 0.000 0.273 159 L C -0.085 176.787 176.870 0.004 0.000 1.195 159 L CA 0.042 54.895 54.840 0.020 0.000 0.882 159 L CB 0.411 42.209 42.059 -0.435 0.000 1.133 159 L HN 0.120 nan 8.230 nan 0.000 0.483 160 A N 6.171 129.025 122.820 0.056 0.000 2.455 160 A HA 0.679 5.004 4.320 0.008 0.000 0.300 160 A C -1.194 176.384 177.584 -0.011 0.000 1.040 160 A CA -0.582 51.464 52.037 0.016 0.000 0.697 160 A CB 1.345 20.383 19.000 0.064 0.000 1.265 160 A HN 0.695 nan 8.150 nan 0.000 0.407 161 L N 3.201 124.401 121.223 -0.039 0.000 2.387 161 L HA 0.333 4.677 4.340 0.008 0.000 0.259 161 L C -2.465 174.399 176.870 -0.011 0.000 1.050 161 L CA -1.705 53.116 54.840 -0.031 0.000 0.922 161 L CB 1.524 43.549 42.059 -0.056 0.000 1.280 161 L HN 0.393 nan 8.230 nan 0.000 0.449 162 P HA 0.060 nan 4.420 nan 0.000 0.261 162 P C 0.978 178.283 177.300 0.007 0.000 1.183 162 P CA 0.885 63.991 63.100 0.010 0.000 0.761 162 P CB 0.913 32.619 31.700 0.010 0.000 0.785 163 G N 1.988 110.796 108.800 0.013 0.000 2.254 163 G HA2 -0.241 3.724 3.960 0.008 0.000 0.225 163 G HA3 -0.241 3.724 3.960 0.008 0.000 0.225 163 G C 0.454 175.360 174.900 0.010 0.000 1.003 163 G CA 0.211 45.318 45.100 0.011 0.000 0.622 163 G HN 0.776 nan 8.290 nan 0.000 0.507 164 S N -0.096 115.608 115.700 0.006 0.000 2.600 164 S HA 0.650 5.125 4.470 0.008 0.000 0.265 164 S C 1.476 176.086 174.600 0.016 0.000 1.325 164 S CA 1.148 59.351 58.200 0.006 0.000 1.002 164 S CB 1.572 64.768 63.200 -0.006 0.000 0.921 164 S HN 1.655 nan 8.310 nan 0.000 0.554 165 R N 0.637 121.148 120.500 0.019 0.000 2.189 165 R HA 0.243 4.588 4.340 0.008 0.000 0.203 165 R C 1.725 178.047 176.300 0.037 0.000 1.012 165 R CA 1.346 57.463 56.100 0.028 0.000 1.015 165 R CB -1.520 28.796 30.300 0.027 0.000 0.938 165 R HN 0.859 nan 8.270 nan 0.000 0.472 166 E N -0.170 120.051 120.200 0.035 0.000 2.318 166 E HA 0.310 4.664 4.350 0.008 0.000 0.193 166 E C 0.379 177.025 176.600 0.076 0.000 0.998 166 E CA 0.913 57.347 56.400 0.057 0.000 0.859 166 E CB 0.983 30.715 29.700 0.053 0.000 0.812 166 E HN 0.532 nan 8.360 nan 0.000 0.492 167 A N 0.970 123.810 122.820 0.032 0.000 3.409 167 A HA 0.272 4.596 4.320 0.008 0.000 0.282 167 A C -2.192 175.396 177.584 0.007 0.000 1.064 167 A CA -0.900 51.145 52.037 0.013 0.000 0.889 167 A CB 0.433 19.352 19.000 -0.134 0.000 1.251 167 A HN -0.081 nan 8.150 nan 0.000 0.538 168 P HA 0.155 nan 4.420 nan 0.000 0.233 168 P C 0.900 178.223 177.300 0.038 0.000 1.167 168 P CA 1.765 64.886 63.100 0.035 0.000 0.770 168 P CB 0.169 31.898 31.700 0.049 0.000 0.837 169 G N 0.664 109.485 108.800 0.035 0.000 2.699 169 G HA2 -0.164 3.801 3.960 0.008 0.000 0.686 169 G HA3 -0.164 3.801 3.960 0.008 0.000 0.686 169 G C -0.145 174.762 174.900 0.011 0.000 1.301 169 G CA -0.326 44.800 45.100 0.043 0.000 0.816 169 G HN 0.111 nan 8.290 nan 0.000 0.595 170 N N -2.375 116.331 118.700 0.009 0.000 2.753 170 N HA -0.276 4.469 4.740 0.008 0.000 0.251 170 N C 1.819 177.190 175.510 -0.232 0.000 1.097 170 N CA 2.351 55.345 53.050 -0.094 0.000 0.786 170 N CB -1.612 36.774 38.487 -0.167 0.000 1.137 170 N HN 1.919 nan 8.380 nan 0.000 0.566 171 V N -2.889 116.876 119.914 -0.249 0.000 2.809 171 V HA 0.091 4.216 4.120 0.008 0.000 0.256 171 V C 2.262 178.231 176.094 -0.209 0.000 1.080 171 V CA 2.088 64.294 62.300 -0.156 0.000 1.102 171 V CB -0.663 31.122 31.823 -0.063 0.000 0.705 171 V HN 0.257 nan 8.190 nan 0.000 0.475 172 G N 0.788 109.268 108.800 -0.535 0.000 2.422 172 G HA2 -0.151 3.814 3.960 0.008 0.000 0.218 172 G HA3 -0.151 3.814 3.960 0.008 0.000 0.218 172 G C 1.516 176.388 174.900 -0.047 0.000 1.146 172 G CA 1.194 46.121 45.100 -0.289 0.000 0.769 172 G HN 0.544 nan 8.290 nan 0.000 0.547 173 L N -0.141 121.000 121.223 -0.136 0.000 2.141 173 L HA 0.059 4.404 4.340 0.008 0.000 0.209 173 L C 2.792 179.678 176.870 0.028 0.000 1.094 173 L CA 0.374 55.096 54.840 -0.197 0.000 0.763 173 L CB -0.307 41.300 42.059 -0.752 0.000 0.908 173 L HN 0.177 nan 8.230 nan 0.000 0.437 174 L N -0.635 120.616 121.223 0.046 0.000 2.141 174 L HA -0.174 4.171 4.340 0.008 0.000 0.209 174 L C 2.155 179.142 176.870 0.195 0.000 1.094 174 L CA 0.740 55.696 54.840 0.193 0.000 0.763 174 L CB -0.589 41.566 42.059 0.159 0.000 0.908 174 L HN 0.254 nan 8.230 nan 0.000 0.437 175 D N 0.075 120.580 120.400 0.174 0.000 2.104 175 D HA -0.208 4.437 4.640 0.008 0.000 0.194 175 D C 2.274 178.727 176.300 0.253 0.000 0.994 175 D CA 1.229 55.407 54.000 0.297 0.000 0.830 175 D CB -0.175 40.821 40.800 0.326 0.000 0.959 175 D HN 0.401 nan 8.370 nan 0.000 0.452 176 Q N 0.118 120.000 119.800 0.137 0.000 2.084 176 Q HA -0.120 4.225 4.340 0.008 0.000 0.202 176 Q C 2.295 178.285 176.000 -0.016 0.000 0.978 176 Q CA 1.020 56.827 55.803 0.006 0.000 0.844 176 Q CB -0.053 28.681 28.738 -0.006 0.000 0.898 176 Q HN 0.190 nan 8.270 nan 0.000 0.426 177 R N 0.551 121.144 120.500 0.156 0.000 2.083 177 R HA -0.193 4.152 4.340 0.008 0.000 0.237 177 R C 2.218 178.574 176.300 0.092 0.000 1.137 177 R CA 1.179 57.364 56.100 0.143 0.000 0.951 177 R CB -0.300 30.190 30.300 0.316 0.000 0.851 177 R HN 0.221 nan 8.270 nan 0.000 0.434 178 L N 0.848 122.158 121.223 0.145 0.000 2.042 178 L HA -0.113 4.231 4.340 0.008 0.000 0.210 178 L C 2.293 179.209 176.870 0.076 0.000 1.076 178 L CA 2.206 57.157 54.840 0.186 0.000 0.749 178 L CB -0.835 41.422 42.059 0.331 0.000 0.893 178 L HN 0.291 nan 8.230 nan 0.000 0.432 179 A N -0.598 122.067 122.820 -0.259 0.000 1.908 179 A HA -0.188 4.137 4.320 0.008 0.000 0.218 179 A C 2.241 179.773 177.584 -0.087 0.000 1.181 179 A CA 2.013 53.738 52.037 -0.520 0.000 0.627 179 A CB -0.881 17.581 19.000 -0.896 0.000 0.818 179 A HN 0.526 nan 8.150 nan 0.000 0.445 180 L N -1.128 120.057 121.223 -0.064 0.000 2.083 180 L HA -0.241 4.104 4.340 0.008 0.000 0.209 180 L C 2.806 179.731 176.870 0.091 0.000 1.083 180 L CA 1.544 56.387 54.840 0.005 0.000 0.752 180 L CB -0.754 41.263 42.059 -0.069 0.000 0.899 180 L HN 0.499 nan 8.230 nan 0.000 0.433 181 Q N -1.023 118.842 119.800 0.109 0.000 2.119 181 Q HA -0.238 4.107 4.340 0.008 0.000 0.201 181 Q C 2.046 178.144 176.000 0.164 0.000 0.972 181 Q CA 1.757 57.634 55.803 0.122 0.000 0.847 181 Q CB -0.252 28.561 28.738 0.125 0.000 0.903 181 Q HN 0.547 nan 8.270 nan 0.000 0.433 182 W N 0.526 121.844 121.300 0.029 0.000 2.363 182 W HA -0.211 4.453 4.660 0.008 0.000 0.296 182 W C 1.787 178.339 176.519 0.055 0.000 1.212 182 W CA 1.194 58.574 57.345 0.059 0.000 1.260 182 W CB -0.019 29.478 29.460 0.062 0.000 1.131 182 W HN -0.153 nan 8.180 nan 0.000 0.530 183 V N 0.900 121.042 119.914 0.379 0.000 2.358 183 V HA -0.329 3.796 4.120 0.008 0.000 0.246 183 V C 2.558 178.676 176.094 0.040 0.000 1.047 183 V CA 1.999 64.442 62.300 0.239 0.000 1.035 183 V CB -0.936 31.041 31.823 0.255 0.000 0.658 183 V HN 0.195 nan 8.190 nan 0.000 0.452 184 Q N -0.161 119.670 119.800 0.051 0.000 2.096 184 Q HA -0.278 4.067 4.340 0.008 0.000 0.204 184 Q C 2.252 178.223 176.000 -0.048 0.000 0.982 184 Q CA 2.258 58.074 55.803 0.022 0.000 0.850 184 Q CB -0.272 28.487 28.738 0.036 0.000 0.901 184 Q HN 0.819 nan 8.270 nan 0.000 0.422 185 E N -0.302 119.830 120.200 -0.114 0.000 2.158 185 E HA -0.079 4.276 4.350 0.008 0.000 0.191 185 E C 1.199 177.639 176.600 -0.266 0.000 0.982 185 E CA 0.770 57.068 56.400 -0.170 0.000 0.823 185 E CB 0.304 29.903 29.700 -0.168 0.000 0.766 185 E HN 0.257 nan 8.360 nan 0.000 0.468 186 N N -0.171 118.260 118.700 -0.449 0.000 2.317 186 N HA -0.000 4.745 4.740 0.008 0.000 0.199 186 N C 1.452 176.826 175.510 -0.226 0.000 1.145 186 N CA 0.067 52.800 53.050 -0.529 0.000 0.882 186 N CB 0.301 38.055 38.487 -1.221 0.000 1.113 186 N HN 0.138 nan 8.380 nan 0.000 0.486 187 I N 2.373 122.873 120.570 -0.117 0.000 2.454 187 I HA -0.101 4.074 4.170 0.008 0.000 0.254 187 I C 2.078 178.303 176.117 0.180 0.000 1.156 187 I CA 0.586 61.971 61.300 0.140 0.000 1.433 187 I CB -0.246 37.830 38.000 0.127 0.000 1.082 187 I HN 0.052 nan 8.210 nan 0.000 0.432 188 A N 0.240 123.090 122.820 0.048 0.000 2.076 188 A HA -0.111 4.214 4.320 0.008 0.000 0.220 188 A C 2.424 179.997 177.584 -0.017 0.000 1.160 188 A CA 1.511 53.561 52.037 0.021 0.000 0.653 188 A CB -1.031 17.957 19.000 -0.019 0.000 0.801 188 A HN 0.482 nan 8.150 nan 0.000 0.455 189 A N -1.729 121.041 122.820 -0.085 0.000 2.121 189 A HA 0.168 4.493 4.320 0.008 0.000 0.218 189 A C 1.421 178.773 177.584 -0.386 0.000 1.154 189 A CA 0.967 52.831 52.037 -0.288 0.000 0.679 189 A CB -0.546 18.168 19.000 -0.477 0.000 0.795 189 A HN 0.496 nan 8.150 nan 0.000 0.458 190 F N -1.573 118.335 119.950 -0.069 0.000 2.678 190 F HA 0.391 4.923 4.527 0.008 0.000 0.305 190 F C 1.739 177.553 175.800 0.024 0.000 1.090 190 F CA 0.510 58.489 58.000 -0.035 0.000 1.272 190 F CB 0.501 39.494 39.000 -0.011 0.000 1.060 190 F HN 0.308 nan 8.300 nan 0.000 0.576 191 G N 0.282 109.168 108.800 0.142 0.000 2.175 191 G HA2 -0.184 3.781 3.960 0.008 0.000 0.244 191 G HA3 -0.184 3.781 3.960 0.008 0.000 0.244 191 G C 0.642 175.611 174.900 0.116 0.000 0.982 191 G CA -0.280 44.884 45.100 0.107 0.000 0.641 191 G HN 0.703 nan 8.290 nan 0.000 0.527 192 G N -0.389 108.502 108.800 0.151 0.000 2.476 192 G HA2 0.471 4.436 3.960 0.008 0.000 0.269 192 G HA3 0.471 4.436 3.960 0.008 0.000 0.269 192 G C -0.728 174.223 174.900 0.085 0.000 1.195 192 G CA 0.328 45.505 45.100 0.128 0.000 0.843 192 G HN 0.222 nan 8.290 nan 0.000 0.545 193 D N 1.713 122.154 120.400 0.069 0.000 2.443 193 D HA 0.281 4.926 4.640 0.008 0.000 0.221 193 D C -1.174 175.161 176.300 0.057 0.000 1.097 193 D CA -2.401 51.623 54.000 0.040 0.000 0.865 193 D CB 1.894 42.700 40.800 0.010 0.000 1.034 193 D HN 0.052 nan 8.370 nan 0.000 0.511 194 P HA -0.084 nan 4.420 nan 0.000 0.225 194 P C 1.211 178.611 177.300 0.167 0.000 1.148 194 P CA 0.722 63.886 63.100 0.106 0.000 0.779 194 P CB 0.175 31.916 31.700 0.068 0.000 0.780 195 M N -1.381 118.244 119.600 0.042 0.000 2.561 195 M HA 0.075 4.560 4.480 0.008 0.000 0.238 195 M C 0.726 176.709 176.300 -0.528 0.000 1.131 195 M CA 0.508 55.732 55.300 -0.126 0.000 1.046 195 M CB 0.146 32.673 32.600 -0.122 0.000 1.532 195 M HN -0.172 nan 8.290 nan 0.000 0.497 196 S N 1.144 116.724 115.700 -0.201 0.000 2.395 196 S HA 0.449 4.924 4.470 0.008 0.000 0.207 196 S C -0.955 173.719 174.600 0.124 0.000 1.454 196 S CA -0.535 57.567 58.200 -0.163 0.000 1.211 196 S CB 0.447 63.571 63.200 -0.126 0.000 1.093 196 S HN 0.005 nan 8.310 nan 0.000 0.472 197 V N 4.128 124.309 119.914 0.445 0.000 2.409 197 V HA 0.539 4.664 4.120 0.008 0.000 0.291 197 V C 0.022 176.297 176.094 0.301 0.000 1.020 197 V CA -0.501 61.996 62.300 0.330 0.000 0.848 197 V CB 1.876 33.880 31.823 0.301 0.000 0.990 197 V HN 0.723 nan 8.190 nan 0.000 0.430 198 T N 6.549 121.228 114.554 0.208 0.000 2.770 198 T HA 0.589 4.944 4.350 0.008 0.000 0.283 198 T C -0.223 174.616 174.700 0.232 0.000 0.988 198 T CA -0.337 61.884 62.100 0.202 0.000 0.957 198 T CB 0.815 69.741 68.868 0.096 0.000 0.930 198 T HN 0.360 nan 8.240 nan 0.000 0.443 199 L N 4.882 126.226 121.223 0.202 0.000 2.349 199 L HA 0.669 5.014 4.340 0.008 0.000 0.275 199 L C -0.357 176.723 176.870 0.350 0.000 1.115 199 L CA -0.808 54.124 54.840 0.155 0.000 0.820 199 L CB 0.216 42.165 42.059 -0.183 0.000 1.135 199 L HN 0.607 nan 8.230 nan 0.000 0.445 200 F N 0.403 120.416 119.950 0.105 0.000 2.601 200 F HA 0.966 5.497 4.527 0.008 0.000 0.309 200 F C -0.292 175.457 175.800 -0.085 0.000 1.089 200 F CA -1.554 56.545 58.000 0.164 0.000 0.940 200 F CB 1.599 40.847 39.000 0.414 0.000 1.273 200 F HN 0.479 nan 8.300 nan 0.000 0.450 201 G N 1.341 109.974 108.800 -0.277 0.000 2.646 201 G HA2 0.492 4.457 3.960 0.008 0.000 0.291 201 G HA3 0.492 4.457 3.960 0.008 0.000 0.291 201 G C -2.403 172.257 174.900 -0.401 0.000 1.445 201 G CA -0.744 43.796 45.100 -0.933 0.000 0.814 201 G HN 0.884 nan 8.290 nan 0.000 0.495 205 G N 0.577 109.162 108.800 -0.357 0.000 2.402 205 G HA2 0.138 4.103 3.960 0.008 0.000 0.216 205 G HA3 0.138 4.103 3.960 0.008 0.000 0.216 205 G C 1.664 176.380 174.900 -0.305 0.000 1.162 205 G CA 1.761 46.605 45.100 -0.428 0.000 0.777 205 G HN 1.210 nan 8.290 nan 0.000 0.539 206 A N 1.325 124.037 122.820 -0.180 0.000 1.877 206 A HA 0.247 4.572 4.320 0.008 0.000 0.216 206 A C 2.848 180.410 177.584 -0.037 0.000 1.186 206 A CA 2.327 54.325 52.037 -0.064 0.000 0.620 206 A CB -0.932 18.090 19.000 0.036 0.000 0.822 206 A HN 0.829 nan 8.150 nan 0.000 0.443 207 A N -0.450 122.370 122.820 0.001 0.000 1.917 207 A HA -0.140 4.185 4.320 0.008 0.000 0.219 207 A C 2.454 180.041 177.584 0.005 0.000 1.182 207 A CA 2.289 54.318 52.037 -0.013 0.000 0.633 207 A CB -0.991 18.017 19.000 0.014 0.000 0.819 207 A HN 0.468 nan 8.150 nan 0.000 0.448 208 S N -0.582 115.117 115.700 -0.001 0.000 2.359 208 S HA -0.152 4.323 4.470 0.008 0.000 0.224 208 S C 1.901 176.471 174.600 -0.049 0.000 1.035 208 S CA 1.464 59.632 58.200 -0.053 0.000 1.018 208 S CB -0.568 62.537 63.200 -0.158 0.000 0.876 208 S HN 0.357 nan 8.310 nan 0.000 0.448 209 V N 1.655 121.541 119.914 -0.047 0.000 2.332 209 V HA -0.191 3.934 4.120 0.008 0.000 0.248 209 V C 2.594 178.686 176.094 -0.004 0.000 1.055 209 V CA 1.986 64.266 62.300 -0.034 0.000 1.038 209 V CB -1.483 30.299 31.823 -0.069 0.000 0.651 209 V HN 0.608 nan 8.190 nan 0.000 0.450 210 G N -0.981 107.810 108.800 -0.015 0.000 2.422 210 G HA2 -0.274 3.691 3.960 0.008 0.000 0.218 210 G HA3 -0.274 3.691 3.960 0.008 0.000 0.218 210 G C 1.607 176.522 174.900 0.024 0.000 1.146 210 G CA 1.055 46.150 45.100 -0.007 0.000 0.769 210 G HN 0.456 nan 8.290 nan 0.000 0.547 211 M N -0.228 119.367 119.600 -0.007 0.000 2.254 211 M HA 0.036 4.521 4.480 0.008 0.000 0.265 211 M C 2.291 178.658 176.300 0.112 0.000 1.066 211 M CA 0.775 56.100 55.300 0.043 0.000 1.123 211 M CB -0.219 32.366 32.600 -0.025 0.000 1.388 211 M HN 0.205 nan 8.290 nan 0.000 0.425 212 H N 0.051 119.232 119.070 0.185 0.000 2.389 212 H HA -0.017 4.544 4.556 0.008 0.000 0.299 212 H C 2.118 177.632 175.328 0.311 0.000 1.081 212 H CA 1.420 57.575 56.048 0.179 0.000 1.345 212 H CB -0.308 29.406 29.762 -0.079 0.000 1.393 212 H HN 0.412 nan 8.280 nan 0.000 0.520 213 I N 0.721 121.538 120.570 0.412 0.000 2.286 213 I HA -0.241 3.934 4.170 0.008 0.000 0.248 213 I C 1.862 178.162 176.117 0.305 0.000 1.115 213 I CA 1.099 62.661 61.300 0.438 0.000 1.392 213 I CB -0.092 38.070 38.000 0.271 0.000 1.065 213 I HN 0.121 nan 8.210 nan 0.000 0.418 214 L N -0.918 120.434 121.223 0.216 0.000 2.592 214 L HA 0.115 4.460 4.340 0.008 0.000 0.227 214 L C 0.923 177.840 176.870 0.078 0.000 1.127 214 L CA 0.032 54.978 54.840 0.177 0.000 0.884 214 L CB 0.073 42.216 42.059 0.139 0.000 1.065 214 L HN 0.021 nan 8.230 nan 0.000 0.457 215 S N -0.165 115.547 115.700 0.020 0.000 2.566 215 S HA 0.247 4.722 4.470 0.008 0.000 0.324 215 S C 0.649 175.169 174.600 -0.133 0.000 1.081 215 S CA -0.612 57.470 58.200 -0.197 0.000 1.105 215 S CB 1.356 64.135 63.200 -0.702 0.000 0.981 215 S HN 0.129 nan 8.310 nan 0.000 0.464 216 L N 7.332 128.487 121.223 -0.113 0.000 1.990 216 L HA 0.073 4.418 4.340 0.008 0.000 0.213 216 L C -1.048 175.785 176.870 -0.062 0.000 1.072 216 L CA 2.253 57.052 54.840 -0.068 0.000 0.755 216 L CB -1.075 40.944 42.059 -0.067 0.000 0.889 216 L HN 0.506 nan 8.230 nan 0.000 0.432 217 P HA -0.067 nan 4.420 nan 0.000 0.225 217 P C 1.476 178.779 177.300 0.005 0.000 1.148 217 P CA 1.199 64.268 63.100 -0.051 0.000 0.779 217 P CB 0.021 31.679 31.700 -0.069 0.000 0.780 218 S N -1.046 114.681 115.700 0.045 0.000 2.501 218 S HA 0.044 4.519 4.470 0.008 0.000 0.220 218 S C 1.770 176.518 174.600 0.247 0.000 0.997 218 S CA 0.267 58.596 58.200 0.215 0.000 0.919 218 S CB -0.272 63.189 63.200 0.434 0.000 0.778 218 S HN 0.069 nan 8.310 nan 0.000 0.523 219 R N 2.076 122.620 120.500 0.074 0.000 2.115 219 R HA 0.021 4.366 4.340 0.008 0.000 0.230 219 R C 2.192 178.311 176.300 -0.302 0.000 1.111 219 R CA 1.288 57.291 56.100 -0.162 0.000 0.976 219 R CB -1.248 28.979 30.300 -0.122 0.000 0.870 219 R HN 0.553 nan 8.270 nan 0.000 0.445 220 S N 0.081 115.697 115.700 -0.141 0.000 2.607 220 S HA 0.071 4.546 4.470 0.008 0.000 0.224 220 S C 1.594 176.114 174.600 -0.134 0.000 0.969 220 S CA 0.303 58.419 58.200 -0.139 0.000 0.927 220 S CB -0.205 62.958 63.200 -0.062 0.000 0.772 220 S HN 0.223 nan 8.310 nan 0.000 0.533 221 L N 0.261 121.443 121.223 -0.068 0.000 2.766 221 L HA 0.511 4.856 4.340 0.008 0.000 0.242 221 L C -0.083 176.840 176.870 0.088 0.000 1.136 221 L CA -0.433 54.431 54.840 0.040 0.000 0.933 221 L CB -0.025 42.105 42.059 0.120 0.000 1.241 221 L HN 0.486 nan 8.230 nan 0.000 0.522 222 F N -4.110 115.638 119.950 -0.337 0.000 2.741 222 F HA 0.469 5.001 4.527 0.007 0.000 0.313 222 F C 0.274 175.731 175.800 -0.572 0.000 1.153 222 F CA -1.009 56.764 58.000 -0.379 0.000 0.931 222 F CB 0.801 39.730 39.000 -0.118 0.000 1.335 222 F HN -0.155 nan 8.300 nan 0.000 0.460 223 H N -0.515 118.588 119.070 0.054 0.000 3.091 223 H HA 0.460 5.021 4.556 0.008 0.000 0.249 223 H C -0.087 175.240 175.328 -0.001 0.000 0.985 223 H CA 0.012 56.014 56.048 -0.076 0.000 1.177 223 H CB 1.024 30.757 29.762 -0.049 0.000 1.456 223 H HN 0.445 nan 8.280 nan 0.000 0.467 224 R N 0.069 120.729 120.500 0.266 0.000 2.764 224 R HA 0.708 5.052 4.340 0.008 0.000 0.270 224 R C -1.482 175.060 176.300 0.404 0.000 1.014 224 R CA -0.666 55.570 56.100 0.227 0.000 0.904 224 R CB 2.891 33.140 30.300 -0.085 0.000 1.236 224 R HN 0.142 nan 8.270 nan 0.000 0.466 225 A N 1.056 124.136 122.820 0.433 0.000 2.520 225 A HA 0.662 4.987 4.320 0.008 0.000 0.298 225 A C -1.485 176.269 177.584 0.284 0.000 1.051 225 A CA -0.586 51.654 52.037 0.339 0.000 0.690 225 A CB 1.915 21.082 19.000 0.279 0.000 1.281 225 A HN 0.297 nan 8.150 nan 0.000 0.402 226 V N 2.394 122.435 119.914 0.212 0.000 2.444 226 V HA 0.477 4.602 4.120 0.008 0.000 0.294 226 V C -1.135 175.055 176.094 0.159 0.000 1.022 226 V CA -0.300 62.062 62.300 0.104 0.000 0.850 226 V CB 1.201 33.098 31.823 0.123 0.000 0.992 226 V HN 0.679 nan 8.190 nan 0.000 0.426 227 L N 5.397 126.678 121.223 0.097 0.000 2.295 227 L HA 0.507 4.852 4.340 0.008 0.000 0.281 227 L C 0.088 177.055 176.870 0.161 0.000 1.018 227 L CA 0.062 54.959 54.840 0.096 0.000 0.841 227 L CB 1.405 43.477 42.059 0.022 0.000 1.218 227 L HN 0.618 nan 8.230 nan 0.000 0.424 228 Q N 1.984 121.935 119.800 0.250 0.000 2.331 228 Q HA 0.421 4.766 4.340 0.008 0.000 0.257 228 Q C 0.186 176.318 176.000 0.221 0.000 0.957 228 Q CA -0.491 55.517 55.803 0.342 0.000 0.923 228 Q CB 1.143 30.176 28.738 0.491 0.000 1.212 228 Q HN 0.618 nan 8.270 nan 0.000 0.443 229 S N 1.121 116.938 115.700 0.194 0.000 3.631 229 S HA -0.158 4.317 4.470 0.008 0.000 0.366 229 S C 0.049 174.829 174.600 0.301 0.000 0.993 229 S CA 0.504 58.840 58.200 0.228 0.000 1.167 229 S CB -1.243 62.096 63.200 0.230 0.000 0.909 229 S HN 1.018 nan 8.310 nan 0.000 0.478 230 G N -0.543 108.398 108.800 0.235 0.000 2.411 230 G HA2 0.646 4.611 3.960 0.008 0.000 0.295 230 G HA3 0.646 4.611 3.960 0.008 0.000 0.295 230 G C -0.943 174.027 174.900 0.116 0.000 1.542 230 G CA 0.207 45.501 45.100 0.323 0.000 0.814 230 G HN 1.095 nan 8.290 nan 0.000 0.557 231 T N -1.614 112.946 114.554 0.009 0.000 2.840 231 T HA 0.738 5.093 4.350 0.008 0.000 0.317 231 T C -2.434 172.122 174.700 -0.241 0.000 1.401 231 T CA -1.072 60.960 62.100 -0.114 0.000 1.028 231 T CB 2.920 71.707 68.868 -0.134 0.000 1.317 231 T HN 0.337 nan 8.240 nan 0.000 0.495 232 P HA 0.003 nan 4.420 nan 0.000 0.221 232 P C 0.294 177.439 177.300 -0.257 0.000 1.155 232 P CA 0.610 63.587 63.100 -0.205 0.000 0.812 232 P CB -0.076 31.558 31.700 -0.110 0.000 0.801 233 N N 0.736 119.304 118.700 -0.219 0.000 2.317 233 N HA 0.271 5.016 4.740 0.008 0.000 0.245 233 N C 0.864 176.182 175.510 -0.319 0.000 1.294 233 N CA 0.739 53.661 53.050 -0.213 0.000 0.924 233 N CB -0.128 38.274 38.487 -0.141 0.000 1.186 233 N HN 0.230 nan 8.380 nan 0.000 0.495 234 G N -0.952 107.682 108.800 -0.277 0.000 2.592 234 G HA2 -0.118 3.847 3.960 0.008 0.000 0.684 234 G HA3 -0.118 3.847 3.960 0.008 0.000 0.684 234 G C -2.345 172.332 174.900 -0.372 0.000 1.291 234 G CA -0.193 44.700 45.100 -0.343 0.000 0.891 234 G HN 0.575 nan 8.290 nan 0.000 0.544 235 P HA 0.180 nan 4.420 nan 0.000 0.255 235 P C 1.304 178.536 177.300 -0.114 0.000 1.248 235 P CA 1.591 64.556 63.100 -0.224 0.000 0.807 235 P CB -0.050 31.487 31.700 -0.271 0.000 1.150 236 W N -1.687 119.533 121.300 -0.134 0.000 2.835 236 W HA 0.538 5.202 4.660 0.007 0.000 0.278 236 W C 1.025 177.623 176.519 0.132 0.000 1.075 236 W CA 0.467 57.812 57.345 -0.000 0.000 1.439 236 W CB -0.774 28.742 29.460 0.093 0.000 0.927 236 W HN -0.173 nan 8.180 nan 0.000 0.604 237 A N 1.974 124.489 122.820 -0.509 0.000 2.119 237 A HA 0.143 4.468 4.320 0.008 0.000 0.216 237 A C 1.089 178.535 177.584 -0.231 0.000 1.152 237 A CA 1.783 53.597 52.037 -0.371 0.000 0.708 237 A CB -0.800 17.720 19.000 -0.800 0.000 0.805 237 A HN 0.251 nan 8.150 nan 0.000 0.460 238 T N -3.154 111.277 114.554 -0.206 0.000 2.883 238 T HA 0.612 4.967 4.350 0.008 0.000 0.301 238 T C -0.693 173.940 174.700 -0.113 0.000 1.158 238 T CA -0.125 61.868 62.100 -0.179 0.000 1.007 238 T CB 1.483 70.253 68.868 -0.164 0.000 1.186 238 T HN 0.843 nan 8.240 nan 0.000 0.499 239 V N -0.928 118.929 119.914 -0.095 0.000 3.040 239 V HA 0.899 5.024 4.120 0.008 0.000 0.312 239 V C 0.422 176.483 176.094 -0.055 0.000 1.115 239 V CA -0.844 61.415 62.300 -0.068 0.000 0.998 239 V CB 1.290 33.073 31.823 -0.066 0.000 1.042 239 V HN 1.377 nan 8.190 nan 0.000 0.433 240 S N 1.956 117.629 115.700 -0.045 0.000 2.596 240 S HA 0.504 4.979 4.470 0.008 0.000 0.260 240 S C 1.439 176.025 174.600 -0.023 0.000 1.336 240 S CA 0.163 58.343 58.200 -0.032 0.000 0.993 240 S CB 1.042 64.224 63.200 -0.030 0.000 0.923 240 S HN 1.948 nan 8.310 nan 0.000 0.567 241 A N 1.693 124.505 122.820 -0.014 0.000 1.933 241 A HA 0.125 4.450 4.320 0.008 0.000 0.218 241 A C 2.215 179.793 177.584 -0.010 0.000 1.175 241 A CA 1.694 53.728 52.037 -0.006 0.000 0.628 241 A CB -1.828 17.172 19.000 -0.001 0.000 0.814 241 A HN 1.140 nan 8.150 nan 0.000 0.444 242 G N -0.409 108.382 108.800 -0.015 0.000 2.421 242 G HA2 -0.243 3.722 3.960 0.008 0.000 0.216 242 G HA3 -0.243 3.722 3.960 0.008 0.000 0.216 242 G C 1.481 176.368 174.900 -0.022 0.000 1.171 242 G CA 1.356 46.447 45.100 -0.016 0.000 0.775 242 G HN 0.569 nan 8.290 nan 0.000 0.543 243 E N 1.022 121.204 120.200 -0.030 0.000 2.072 243 E HA 0.064 4.419 4.350 0.008 0.000 0.191 243 E C 2.669 179.239 176.600 -0.049 0.000 0.985 243 E CA 1.433 57.807 56.400 -0.043 0.000 0.801 243 E CB -0.596 29.073 29.700 -0.052 0.000 0.750 243 E HN 0.271 nan 8.360 nan 0.000 0.452 244 A N 0.969 123.769 122.820 -0.033 0.000 1.908 244 A HA -0.220 4.105 4.320 0.008 0.000 0.218 244 A C 2.306 179.898 177.584 0.013 0.000 1.181 244 A CA 1.910 53.942 52.037 -0.009 0.000 0.627 244 A CB -0.668 18.345 19.000 0.022 0.000 0.818 244 A HN 0.294 nan 8.150 nan 0.000 0.445 245 R N -0.586 119.915 120.500 0.002 0.000 2.073 245 R HA -0.145 4.200 4.340 0.008 0.000 0.234 245 R C 2.478 178.778 176.300 0.001 0.000 1.134 245 R CA 1.620 57.722 56.100 0.002 0.000 0.952 245 R CB -0.362 29.934 30.300 -0.006 0.000 0.850 245 R HN 0.510 nan 8.270 nan 0.000 0.433 246 R N 0.563 121.056 120.500 -0.011 0.000 2.096 246 R HA -0.170 4.175 4.340 0.008 0.000 0.240 246 R C 2.249 178.542 176.300 -0.010 0.000 1.139 246 R CA 2.037 58.128 56.100 -0.015 0.000 0.952 246 R CB -0.177 30.108 30.300 -0.025 0.000 0.854 246 R HN 0.295 nan 8.270 nan 0.000 0.436 247 R N -0.299 120.181 120.500 -0.033 0.000 2.081 247 R HA -0.080 4.265 4.340 0.008 0.000 0.235 247 R C 2.361 178.732 176.300 0.118 0.000 1.131 247 R CA 1.414 57.483 56.100 -0.052 0.000 0.960 247 R CB -0.347 29.783 30.300 -0.283 0.000 0.856 247 R HN 0.277 nan 8.270 nan 0.000 0.436 248 A N 0.289 123.211 122.820 0.169 0.000 1.930 248 A HA -0.179 4.146 4.320 0.008 0.000 0.217 248 A C 2.243 179.864 177.584 0.061 0.000 1.175 248 A CA 2.037 54.183 52.037 0.182 0.000 0.627 248 A CB -0.758 18.285 19.000 0.071 0.000 0.815 248 A HN 0.428 nan 8.150 nan 0.000 0.443 249 T N -1.609 112.963 114.554 0.030 0.000 2.942 249 T HA -0.053 4.302 4.350 0.008 0.000 0.265 249 T C 1.794 176.501 174.700 0.011 0.000 1.062 249 T CA 1.335 63.437 62.100 0.003 0.000 1.139 249 T CB -0.362 68.500 68.868 -0.010 0.000 0.883 249 T HN 0.197 nan 8.240 nan 0.000 0.468 250 L N 1.073 122.312 121.223 0.027 0.000 2.017 250 L HA 0.159 4.504 4.340 0.008 0.000 0.208 250 L C 2.318 179.215 176.870 0.045 0.000 1.073 250 L CA 1.853 56.711 54.840 0.030 0.000 0.745 250 L CB -1.241 40.838 42.059 0.033 0.000 0.894 250 L HN 0.423 nan 8.230 nan 0.000 0.432 251 L N -0.178 121.104 121.223 0.098 0.000 2.012 251 L HA -0.147 4.198 4.340 0.008 0.000 0.210 251 L C 2.528 179.403 176.870 0.009 0.000 1.073 251 L CA 2.122 57.026 54.840 0.107 0.000 0.748 251 L CB -0.885 41.302 42.059 0.214 0.000 0.891 251 L HN 0.300 nan 8.230 nan 0.000 0.431 252 A N -0.146 122.668 122.820 -0.010 0.000 1.892 252 A HA -0.288 4.037 4.320 0.008 0.000 0.218 252 A C 2.396 179.954 177.584 -0.042 0.000 1.188 252 A CA 2.232 54.246 52.037 -0.038 0.000 0.631 252 A CB -0.693 18.280 19.000 -0.046 0.000 0.822 252 A HN 0.555 nan 8.150 nan 0.000 0.447 253 R N -0.662 119.818 120.500 -0.033 0.000 2.091 253 R HA -0.069 4.276 4.340 0.008 0.000 0.238 253 R C 2.063 178.320 176.300 -0.072 0.000 1.136 253 R CA 1.506 57.583 56.100 -0.039 0.000 0.959 253 R CB -0.595 29.690 30.300 -0.024 0.000 0.856 253 R HN 0.539 nan 8.270 nan 0.000 0.437 254 L N 0.822 121.986 121.223 -0.100 0.000 2.187 254 L HA -0.114 4.231 4.340 0.008 0.000 0.213 254 L C 1.934 178.574 176.870 -0.383 0.000 1.100 254 L CA 0.846 55.551 54.840 -0.226 0.000 0.765 254 L CB -0.264 41.663 42.059 -0.220 0.000 0.904 254 L HN 0.175 nan 8.230 nan 0.000 0.437 255 V N -3.940 115.827 119.914 -0.246 0.000 3.271 255 V HA 0.531 4.656 4.120 0.008 0.000 0.327 255 V C 0.990 177.044 176.094 -0.067 0.000 1.389 255 V CA 0.138 62.338 62.300 -0.166 0.000 1.156 255 V CB -0.196 31.581 31.823 -0.078 0.000 1.103 255 V HN 0.407 nan 8.190 nan 0.000 0.453 256 G N -0.473 108.289 108.800 -0.063 0.000 2.204 256 G HA2 -0.199 3.766 3.960 0.008 0.000 0.244 256 G HA3 -0.199 3.766 3.960 0.008 0.000 0.244 256 G C -0.062 174.826 174.900 -0.019 0.000 1.062 256 G CA 0.024 45.105 45.100 -0.030 0.000 0.798 256 G HN 0.734 nan 8.290 nan 0.000 0.496 266 D N 1.448 121.840 120.400 -0.013 0.000 2.144 266 D HA -0.074 4.571 4.640 0.008 0.000 0.200 266 D C 1.458 177.747 176.300 -0.019 0.000 0.978 266 D CA 1.640 55.627 54.000 -0.022 0.000 0.833 266 D CB 0.170 40.957 40.800 -0.022 0.000 0.961 266 D HN 0.560 nan 8.370 nan 0.000 0.470 267 T N 0.635 115.185 114.554 -0.007 0.000 2.684 267 T HA -0.186 4.169 4.350 0.008 0.000 0.267 267 T C 1.810 176.512 174.700 0.004 0.000 1.036 267 T CA 1.436 63.538 62.100 0.003 0.000 1.148 267 T CB -0.112 68.760 68.868 0.008 0.000 0.863 267 T HN 0.300 nan 8.240 nan 0.000 0.436 268 E N 0.536 120.736 120.200 0.000 0.000 2.047 268 E HA -0.074 4.281 4.350 0.008 0.000 0.191 268 E C 2.271 178.870 176.600 -0.003 0.000 0.987 268 E CA 0.705 57.106 56.400 0.002 0.000 0.799 268 E CB -0.224 29.476 29.700 0.000 0.000 0.752 268 E HN 0.428 nan 8.360 nan 0.000 0.449 269 L N 0.816 122.030 121.223 -0.015 0.000 1.990 269 L HA -0.224 4.120 4.340 0.008 0.000 0.213 269 L C 2.370 179.218 176.870 -0.037 0.000 1.072 269 L CA 1.529 56.352 54.840 -0.029 0.000 0.755 269 L CB -0.225 41.808 42.059 -0.043 0.000 0.889 269 L HN 0.250 nan 8.230 nan 0.000 0.432 270 I N -0.131 120.413 120.570 -0.044 0.000 2.226 270 I HA -0.268 3.907 4.170 0.008 0.000 0.245 270 I C 2.783 178.934 176.117 0.056 0.000 1.100 270 I CA 1.085 62.359 61.300 -0.042 0.000 1.374 270 I CB -0.614 37.359 38.000 -0.045 0.000 1.057 270 I HN 0.350 nan 8.210 nan 0.000 0.413 271 A N -0.170 122.678 122.820 0.046 0.000 1.940 271 A HA -0.304 4.021 4.320 0.008 0.000 0.219 271 A C 2.541 180.159 177.584 0.058 0.000 1.176 271 A CA 2.044 54.116 52.037 0.058 0.000 0.631 271 A CB -1.341 17.681 19.000 0.036 0.000 0.814 271 A HN 0.641 nan 8.150 nan 0.000 0.446 272 c N -0.542 118.081 118.600 0.038 0.000 2.453 272 c HA 0.013 4.588 4.570 0.008 0.000 0.277 272 c C 2.581 176.703 174.090 0.054 0.000 1.262 272 c CA 1.042 57.391 56.329 0.033 0.000 1.718 272 c CB -1.579 40.939 42.510 0.014 0.000 2.031 272 c HN 0.589 nan 8.230 nan 0.000 0.480 273 L N 0.439 121.701 121.223 0.065 0.000 2.129 273 L HA -0.161 4.184 4.340 0.008 0.000 0.212 273 L C 2.953 179.958 176.870 0.225 0.000 1.087 273 L CA 1.612 56.528 54.840 0.128 0.000 0.757 273 L CB -0.668 41.436 42.059 0.074 0.000 0.896 273 L HN 0.388 nan 8.230 nan 0.000 0.434 274 R N -0.577 120.056 120.500 0.221 0.000 2.189 274 R HA -0.101 4.244 4.340 0.008 0.000 0.223 274 R C 2.188 178.521 176.300 0.056 0.000 1.092 274 R CA 1.606 57.785 56.100 0.131 0.000 0.989 274 R CB -0.315 30.051 30.300 0.111 0.000 0.876 274 R HN 0.508 nan 8.270 nan 0.000 0.457 275 T N -1.565 113.022 114.554 0.056 0.000 3.088 275 T HA 0.098 4.453 4.350 0.008 0.000 0.259 275 T C 0.892 175.610 174.700 0.030 0.000 1.122 275 T CA -0.064 62.056 62.100 0.033 0.000 1.095 275 T CB 0.143 69.029 68.868 0.029 0.000 0.930 275 T HN -0.149 nan 8.240 nan 0.000 0.508 276 R N 2.674 123.200 120.500 0.042 0.000 2.490 276 R HA 0.394 4.739 4.340 0.008 0.000 0.280 276 R C -2.721 173.594 176.300 0.026 0.000 1.077 276 R CA -2.772 53.351 56.100 0.039 0.000 1.065 276 R CB -0.200 30.130 30.300 0.051 0.000 1.003 276 R HN 0.237 nan 8.270 nan 0.000 0.470 277 P HA -0.017 nan 4.420 nan 0.000 0.265 277 P C 0.322 177.608 177.300 -0.024 0.000 1.193 277 P CA 0.268 63.363 63.100 -0.008 0.000 0.765 277 P CB 0.569 32.276 31.700 0.012 0.000 0.823 278 A N 3.453 126.197 122.820 -0.126 0.000 1.927 278 A HA -0.305 4.020 4.320 0.008 0.000 0.220 278 A C 2.138 179.648 177.584 -0.124 0.000 1.185 278 A CA 2.154 54.085 52.037 -0.177 0.000 0.639 278 A CB -1.197 17.237 19.000 -0.943 0.000 0.820 278 A HN 0.560 nan 8.150 nan 0.000 0.451 279 Q N -0.298 119.409 119.800 -0.155 0.000 2.230 279 Q HA -0.125 4.220 4.340 0.008 0.000 0.202 279 Q C 1.186 177.265 176.000 0.133 0.000 0.963 279 Q CA 1.771 57.628 55.803 0.090 0.000 0.866 279 Q CB -0.255 28.576 28.738 0.156 0.000 0.931 279 Q HN 0.643 nan 8.270 nan 0.000 0.452 280 D N -0.368 120.097 120.400 0.108 0.000 2.117 280 D HA -0.123 4.522 4.640 0.008 0.000 0.198 280 D C 1.707 178.133 176.300 0.210 0.000 0.982 280 D CA 1.016 55.116 54.000 0.167 0.000 0.828 280 D CB -0.142 40.745 40.800 0.145 0.000 0.967 280 D HN 0.293 nan 8.370 nan 0.000 0.464 281 L N 0.222 121.519 121.223 0.124 0.000 2.012 281 L HA -0.163 4.182 4.340 0.008 0.000 0.210 281 L C 2.492 179.427 176.870 0.108 0.000 1.073 281 L CA 0.817 55.688 54.840 0.053 0.000 0.748 281 L CB -0.681 41.278 42.059 -0.168 0.000 0.891 281 L HN -0.021 nan 8.230 nan 0.000 0.431 282 V N -0.128 119.905 119.914 0.198 0.000 2.343 282 V HA -0.282 3.843 4.120 0.008 0.000 0.247 282 V C 2.027 178.225 176.094 0.174 0.000 1.051 282 V CA 1.886 64.350 62.300 0.273 0.000 1.036 282 V CB -0.581 31.503 31.823 0.436 0.000 0.654 282 V HN 0.424 nan 8.190 nan 0.000 0.451 283 D N -0.934 119.531 120.400 0.109 0.000 2.263 283 D HA -0.134 4.511 4.640 0.008 0.000 0.208 283 D C 1.712 177.811 176.300 -0.334 0.000 0.971 283 D CA 1.334 55.294 54.000 -0.066 0.000 0.867 283 D CB -0.174 40.557 40.800 -0.115 0.000 0.929 283 D HN 0.645 nan 8.370 nan 0.000 0.492 284 H N -1.065 117.990 119.070 -0.026 0.000 2.893 284 H HA 0.112 4.673 4.556 0.008 0.000 0.270 284 H C 1.690 176.943 175.328 -0.126 0.000 1.095 284 H CA 0.087 56.075 56.048 -0.100 0.000 1.186 284 H CB 0.549 30.388 29.762 0.129 0.000 1.562 284 H HN 0.219 nan 8.280 nan 0.000 0.536 285 E N 0.266 120.491 120.200 0.042 0.000 2.110 285 E HA -0.255 4.100 4.350 0.008 0.000 0.193 285 E C 2.131 178.777 176.600 0.077 0.000 0.988 285 E CA 1.343 57.868 56.400 0.209 0.000 0.804 285 E CB -0.667 29.188 29.700 0.258 0.000 0.745 285 E HN 0.649 nan 8.360 nan 0.000 0.458 286 W N 1.829 123.026 121.300 -0.171 0.000 2.525 286 W HA 0.017 4.681 4.660 0.008 0.000 0.259 286 W C 1.590 178.064 176.519 -0.074 0.000 1.253 286 W CA 1.213 58.438 57.345 -0.200 0.000 1.262 286 W CB -1.294 27.968 29.460 -0.331 0.000 1.122 286 W HN 0.321 nan 8.180 nan 0.000 0.607 287 H N -0.197 118.896 119.070 0.039 0.000 2.556 287 H HA 0.087 4.647 4.556 0.008 0.000 0.268 287 H C 2.102 177.445 175.328 0.025 0.000 0.996 287 H CA 1.214 57.289 56.048 0.046 0.000 1.157 287 H CB 0.106 29.935 29.762 0.113 0.000 1.355 287 H HN 0.396 nan 8.280 nan 0.000 0.597 288 V N -1.721 118.251 119.914 0.096 0.000 3.621 288 V HA 0.171 4.296 4.120 0.008 0.000 0.285 288 V C 0.573 176.631 176.094 -0.059 0.000 1.346 288 V CA -0.166 62.144 62.300 0.017 0.000 1.104 288 V CB -0.398 31.419 31.823 -0.010 0.000 0.913 288 V HN 0.125 nan 8.190 nan 0.000 0.432 289 L N 2.248 123.433 121.223 -0.063 0.000 2.485 289 L HA 0.212 4.557 4.340 0.008 0.000 0.275 289 L C -0.475 176.364 176.870 -0.051 0.000 1.207 289 L CA -0.837 53.954 54.840 -0.081 0.000 0.855 289 L CB 0.601 42.608 42.059 -0.086 0.000 1.114 289 L HN 0.168 nan 8.230 nan 0.000 0.485 290 P HA -0.024 nan 4.420 nan 0.000 0.227 290 P C -0.337 176.945 177.300 -0.029 0.000 1.161 290 P CA 0.838 63.915 63.100 -0.038 0.000 0.788 290 P CB 0.566 32.241 31.700 -0.041 0.000 0.822 291 Q N -0.951 118.828 119.800 -0.034 0.000 2.456 291 Q HA 0.322 4.666 4.340 0.008 0.000 0.283 291 Q C -0.650 175.333 176.000 -0.028 0.000 1.084 291 Q CA -0.743 55.045 55.803 -0.026 0.000 0.801 291 Q CB 1.530 30.254 28.738 -0.023 0.000 1.434 291 Q HN -0.061 nan 8.270 nan 0.000 0.419 292 E N 1.050 121.239 120.200 -0.018 0.000 2.493 292 E HA 0.217 4.572 4.350 0.008 0.000 0.255 292 E C -0.948 175.636 176.600 -0.026 0.000 0.999 292 E CA 0.281 56.671 56.400 -0.016 0.000 0.934 292 E CB 0.282 29.979 29.700 -0.004 0.000 0.940 292 E HN 0.604 nan 8.360 nan 0.000 0.473 293 S N 3.823 119.499 115.700 -0.039 0.000 2.656 293 S HA 0.662 5.137 4.470 0.008 0.000 0.273 293 S C -0.421 174.144 174.600 -0.058 0.000 1.168 293 S CA -1.046 57.123 58.200 -0.052 0.000 0.817 293 S CB 0.792 63.946 63.200 -0.077 0.000 1.146 293 S HN 0.570 nan 8.310 nan 0.000 0.475 294 I N -3.266 117.270 120.570 -0.057 0.000 3.002 294 I HA 0.789 4.963 4.170 0.008 0.000 0.310 294 I C -0.387 175.662 176.117 -0.114 0.000 1.087 294 I CA -1.185 60.083 61.300 -0.054 0.000 1.017 294 I CB 1.242 39.267 38.000 0.043 0.000 1.226 294 I HN 0.705 nan 8.210 nan 0.000 0.443 295 F N 1.544 121.241 119.950 -0.421 0.000 3.091 295 F HA -0.182 4.350 4.527 0.008 0.000 0.288 295 F C -0.278 174.932 175.800 -0.983 0.000 0.907 295 F CA 0.671 58.206 58.000 -0.775 0.000 1.028 295 F CB -0.642 37.871 39.000 -0.812 0.000 1.022 295 F HN 0.586 nan 8.300 nan 0.000 0.665 296 R N 0.287 120.215 120.500 -0.954 0.000 2.686 296 R HA 0.682 5.027 4.340 0.008 0.000 0.283 296 R C -1.027 174.634 176.300 -1.065 0.000 0.978 296 R CA -0.596 55.009 56.100 -0.825 0.000 0.897 296 R CB 1.392 31.498 30.300 -0.323 0.000 1.192 296 R HN 0.001 nan 8.270 nan 0.000 0.457 297 F N -0.821 119.183 119.950 0.089 0.000 2.565 297 F HA 0.345 4.876 4.527 0.007 0.000 0.313 297 F C 1.452 177.250 175.800 -0.002 0.000 1.091 297 F CA -0.815 57.227 58.000 0.070 0.000 0.915 297 F CB 1.913 41.066 39.000 0.255 0.000 1.208 297 F HN 0.346 nan 8.300 nan 0.000 0.453 298 S N 0.851 116.594 115.700 0.072 0.000 2.356 298 S HA -0.040 4.435 4.470 0.008 0.000 0.223 298 S C -0.002 174.274 174.600 -0.539 0.000 1.032 298 S CA 1.274 59.307 58.200 -0.278 0.000 1.005 298 S CB -0.224 62.825 63.200 -0.253 0.000 0.867 298 S HN 0.376 nan 8.310 nan 0.000 0.449 299 F N 1.334 121.397 119.950 0.189 0.000 2.430 299 F HA 0.547 5.079 4.527 0.008 0.000 0.362 299 F C -0.063 175.811 175.800 0.124 0.000 1.103 299 F CA -0.937 57.176 58.000 0.188 0.000 1.045 299 F CB 1.355 40.498 39.000 0.239 0.000 1.276 299 F HN -0.100 nan 8.300 nan 0.000 0.444 300 V N 0.590 120.519 119.914 0.025 0.000 3.167 300 V HA 0.769 4.894 4.120 0.008 0.000 0.310 300 V C -2.916 172.857 176.094 -0.535 0.000 1.207 300 V CA -3.348 58.627 62.300 -0.541 0.000 1.059 300 V CB 2.005 33.679 31.823 -0.248 0.000 1.079 300 V HN 0.235 nan 8.190 nan 0.000 0.446 301 P HA 0.183 nan 4.420 nan 0.000 0.265 301 P C -0.757 176.425 177.300 -0.196 0.000 1.187 301 P CA 0.449 63.303 63.100 -0.410 0.000 0.766 301 P CB 0.636 32.002 31.700 -0.556 0.000 0.820 302 V N 4.811 124.680 119.914 -0.073 0.000 2.581 302 V HA 0.232 4.357 4.120 0.008 0.000 0.303 302 V C -0.309 175.772 176.094 -0.022 0.000 1.041 302 V CA -0.908 61.371 62.300 -0.035 0.000 0.907 302 V CB 2.101 33.933 31.823 0.015 0.000 0.994 302 V HN 0.140 nan 8.190 nan 0.000 0.442 303 V N 7.346 127.247 119.914 -0.022 0.000 2.359 303 V HA 0.142 4.267 4.120 0.008 0.000 0.248 303 V C 0.847 176.950 176.094 0.016 0.000 1.091 303 V CA 0.449 62.748 62.300 -0.001 0.000 1.103 303 V CB -0.103 31.712 31.823 -0.013 0.000 1.176 303 V HN 1.052 nan 8.190 nan 0.000 0.488 304 D N 2.584 123.007 120.400 0.039 0.000 2.360 304 D HA 0.116 4.761 4.640 0.008 0.000 0.210 304 D C 1.559 177.885 176.300 0.043 0.000 1.047 304 D CA 0.600 54.627 54.000 0.044 0.000 0.854 304 D CB 0.351 41.190 40.800 0.065 0.000 0.936 304 D HN 0.650 nan 8.370 nan 0.000 0.514 305 G N 0.700 109.525 108.800 0.042 0.000 2.168 305 G HA2 -0.337 3.628 3.960 0.008 0.000 0.257 305 G HA3 -0.337 3.628 3.960 0.008 0.000 0.257 305 G C 0.357 175.280 174.900 0.039 0.000 0.997 305 G CA 0.881 46.001 45.100 0.032 0.000 0.708 305 G HN 0.554 nan 8.290 nan 0.000 0.520 306 D N -1.725 118.714 120.400 0.066 0.000 3.028 306 D HA 0.242 4.887 4.640 0.008 0.000 0.205 306 D C 1.740 178.091 176.300 0.086 0.000 1.489 306 D CA 0.329 54.371 54.000 0.070 0.000 1.452 306 D CB -0.655 40.197 40.800 0.087 0.000 1.052 306 D HN 0.054 nan 8.370 nan 0.000 0.221 307 F N 1.171 121.128 119.950 0.013 0.000 2.065 307 F HA 0.081 4.613 4.527 0.008 0.000 0.298 307 F C 0.577 176.376 175.800 -0.001 0.000 1.112 307 F CA 1.354 59.360 58.000 0.010 0.000 1.212 307 F CB 0.058 39.060 39.000 0.004 0.000 0.975 307 F HN 0.007 nan 8.300 nan 0.000 0.476 308 L N 0.615 122.006 121.223 0.280 0.000 2.276 308 L HA 0.201 4.546 4.340 0.008 0.000 0.286 308 L C 1.296 178.210 176.870 0.074 0.000 1.024 308 L CA -0.169 54.765 54.840 0.156 0.000 0.826 308 L CB 1.452 43.593 42.059 0.137 0.000 1.211 308 L HN 0.057 nan 8.230 nan 0.000 0.422 309 S N 0.199 115.922 115.700 0.038 0.000 2.515 309 S HA 0.027 4.502 4.470 0.008 0.000 0.231 309 S C 0.381 174.992 174.600 0.017 0.000 0.987 309 S CA 0.284 58.496 58.200 0.019 0.000 0.936 309 S CB 0.090 63.291 63.200 0.002 0.000 0.766 309 S HN 0.726 nan 8.310 nan 0.000 0.528 310 D N 0.215 120.628 120.400 0.021 0.000 2.713 310 D HA 0.258 4.903 4.640 0.008 0.000 0.306 310 D C -0.889 175.417 176.300 0.010 0.000 1.299 310 D CA 0.002 54.009 54.000 0.012 0.000 0.823 310 D CB 1.256 42.061 40.800 0.008 0.000 1.353 310 D HN 0.185 nan 8.370 nan 0.000 0.447 311 T N -0.755 113.798 114.554 -0.003 0.000 2.932 311 T HA 0.234 4.589 4.350 0.008 0.000 0.312 311 T C -1.782 172.912 174.700 -0.009 0.000 1.071 311 T CA -0.591 61.499 62.100 -0.016 0.000 1.128 311 T CB 0.950 69.802 68.868 -0.027 0.000 0.984 311 T HN 0.116 nan 8.240 nan 0.000 0.549 312 P HA -0.102 nan 4.420 nan 0.000 0.216 312 P C 1.480 178.772 177.300 -0.013 0.000 1.150 312 P CA 1.019 64.107 63.100 -0.020 0.000 0.837 312 P CB 0.064 31.723 31.700 -0.069 0.000 0.786 313 E N -0.127 120.055 120.200 -0.029 0.000 2.051 313 E HA -0.213 4.141 4.350 0.008 0.000 0.192 313 E C 1.885 178.490 176.600 0.009 0.000 0.991 313 E CA 1.417 57.806 56.400 -0.019 0.000 0.799 313 E CB -0.473 29.209 29.700 -0.031 0.000 0.748 313 E HN 0.084 nan 8.360 nan 0.000 0.449 314 A N 1.098 123.924 122.820 0.009 0.000 1.898 314 A HA -0.105 4.220 4.320 0.008 0.000 0.216 314 A C 2.247 179.856 177.584 0.042 0.000 1.181 314 A CA 1.011 53.060 52.037 0.019 0.000 0.620 314 A CB -0.566 18.439 19.000 0.008 0.000 0.819 314 A HN 0.300 nan 8.150 nan 0.000 0.442 315 L N 0.035 121.291 121.223 0.055 0.000 2.093 315 L HA -0.128 4.217 4.340 0.008 0.000 0.208 315 L C 2.511 179.501 176.870 0.200 0.000 1.085 315 L CA 1.456 56.355 54.840 0.097 0.000 0.755 315 L CB -0.646 41.472 42.059 0.098 0.000 0.904 315 L HN 0.655 nan 8.230 nan 0.000 0.435 316 I N -3.353 117.322 120.570 0.174 0.000 2.761 316 I HA -0.088 4.087 4.170 0.008 0.000 0.261 316 I C 1.894 178.145 176.117 0.224 0.000 1.198 316 I CA 0.979 62.421 61.300 0.237 0.000 1.482 316 I CB -0.425 37.599 38.000 0.041 0.000 1.100 316 I HN 0.166 nan 8.210 nan 0.000 0.445 317 N N 1.653 120.429 118.700 0.126 0.000 2.270 317 N HA -0.093 4.651 4.740 0.008 0.000 0.181 317 N C 1.740 177.300 175.510 0.084 0.000 1.016 317 N CA 2.116 55.220 53.050 0.090 0.000 0.870 317 N CB -0.162 38.355 38.487 0.049 0.000 0.979 317 N HN 0.672 nan 8.380 nan 0.000 0.431 318 T N -3.973 110.621 114.554 0.068 0.000 3.043 318 T HA 0.345 4.700 4.350 0.008 0.000 0.272 318 T C 0.838 175.496 174.700 -0.070 0.000 0.990 318 T CA -0.448 61.656 62.100 0.006 0.000 0.897 318 T CB 0.195 69.059 68.868 -0.006 0.000 1.111 318 T HN 0.034 nan 8.240 nan 0.000 0.529 319 G N 0.800 109.538 108.800 -0.104 0.000 2.539 319 G HA2 0.440 4.405 3.960 0.008 0.000 0.258 319 G HA3 0.440 4.405 3.960 0.008 0.000 0.258 319 G C -1.131 173.325 174.900 -0.739 0.000 1.202 319 G CA -0.386 44.396 45.100 -0.530 0.000 0.851 319 G HN 0.290 nan 8.290 nan 0.000 0.556 320 D N -0.046 119.885 120.400 -0.781 0.000 2.329 320 D HA 0.389 5.033 4.640 0.008 0.000 0.232 320 D C -0.515 175.383 176.300 -0.670 0.000 1.088 320 D CA -0.688 53.000 54.000 -0.521 0.000 0.835 320 D CB 0.781 41.422 40.800 -0.264 0.000 1.078 320 D HN 0.100 nan 8.370 nan 0.000 0.495 321 F N 2.040 121.994 119.950 0.007 0.000 2.850 321 F HA 0.239 4.771 4.527 0.008 0.000 0.329 321 F C 1.923 177.730 175.800 0.011 0.000 1.182 321 F CA -0.376 57.631 58.000 0.012 0.000 1.270 321 F CB 0.263 39.279 39.000 0.026 0.000 0.979 321 F HN 0.346 nan 8.300 nan 0.000 0.506 322 Q N 0.201 120.053 119.800 0.087 0.000 2.135 322 Q HA -0.229 4.115 4.340 0.008 0.000 0.204 322 Q C 1.259 177.295 176.000 0.060 0.000 0.981 322 Q CA 1.795 57.636 55.803 0.063 0.000 0.856 322 Q CB -0.095 28.654 28.738 0.018 0.000 0.902 322 Q HN 0.284 nan 8.270 nan 0.000 0.425 323 D N -0.499 119.930 120.400 0.048 0.000 2.324 323 D HA 0.027 4.672 4.640 0.008 0.000 0.235 323 D C -0.895 175.436 176.300 0.051 0.000 1.095 323 D CA -0.022 53.998 54.000 0.033 0.000 0.871 323 D CB 0.246 41.048 40.800 0.003 0.000 0.906 323 D HN -0.052 nan 8.370 nan 0.000 0.522 324 L N 0.991 122.272 121.223 0.097 0.000 2.307 324 L HA 0.470 4.815 4.340 0.008 0.000 0.284 324 L C -1.061 175.886 176.870 0.128 0.000 1.023 324 L CA -0.414 54.496 54.840 0.117 0.000 0.810 324 L CB 1.712 43.876 42.059 0.174 0.000 1.231 324 L HN -0.177 nan 8.230 nan 0.000 0.423 325 Q N 3.327 123.215 119.800 0.147 0.000 2.316 325 Q HA 0.767 5.112 4.340 0.008 0.000 0.264 325 Q C -1.377 174.874 176.000 0.418 0.000 0.987 325 Q CA -0.455 55.492 55.803 0.240 0.000 0.852 325 Q CB 2.574 31.419 28.738 0.179 0.000 1.287 325 Q HN 0.471 nan 8.270 nan 0.000 0.448 326 V N 2.548 122.686 119.914 0.374 0.000 2.760 326 V HA 0.493 4.618 4.120 0.008 0.000 0.309 326 V C -1.463 174.580 176.094 -0.084 0.000 1.077 326 V CA -0.883 61.546 62.300 0.216 0.000 0.910 326 V CB 2.035 33.898 31.823 0.066 0.000 1.008 326 V HN 0.612 nan 8.190 nan 0.000 0.424 327 L N 6.799 127.748 121.223 -0.457 0.000 2.322 327 L HA 0.932 5.277 4.340 0.008 0.000 0.281 327 L C -0.525 176.202 176.870 -0.239 0.000 1.014 327 L CA -0.181 54.296 54.840 -0.604 0.000 0.815 327 L CB 1.715 42.963 42.059 -1.352 0.000 1.247 327 L HN 0.620 nan 8.230 nan 0.000 0.421 328 V N 1.915 121.757 119.914 -0.119 0.000 3.049 328 V HA 1.124 5.249 4.120 0.008 0.000 0.309 328 V C -0.292 175.583 176.094 -0.366 0.000 1.148 328 V CA 0.236 62.458 62.300 -0.131 0.000 0.990 328 V CB 1.171 32.895 31.823 -0.164 0.000 1.039 328 V HN 1.140 nan 8.190 nan 0.000 0.430 329 G N 0.739 109.190 108.800 -0.580 0.000 2.489 329 G HA2 0.815 4.780 3.960 0.008 0.000 0.305 329 G HA3 0.815 4.780 3.960 0.008 0.000 0.305 329 G C -1.184 173.418 174.900 -0.497 0.000 1.311 329 G CA 0.110 44.494 45.100 -1.194 0.000 0.813 329 G HN 2.154 nan 8.290 nan 0.000 0.480 330 V N -2.447 117.309 119.914 -0.263 0.000 3.188 330 V HA 0.901 5.026 4.120 0.008 0.000 0.305 330 V C 0.212 176.511 176.094 0.341 0.000 1.232 330 V CA -0.382 61.984 62.300 0.109 0.000 1.043 330 V CB 1.086 32.943 31.823 0.058 0.000 1.068 330 V HN 1.917 nan 8.190 nan 0.000 0.439 331 V N -0.064 120.060 119.914 0.351 0.000 2.997 331 V HA 0.550 4.675 4.120 0.008 0.000 0.311 331 V C 1.468 177.757 176.094 0.325 0.000 1.066 331 V CA 0.196 62.750 62.300 0.424 0.000 1.039 331 V CB 1.210 33.265 31.823 0.387 0.000 1.081 331 V HN 1.135 nan 8.190 nan 0.000 0.467 332 K N 0.335 120.924 120.400 0.314 0.000 2.097 332 K HA -0.099 4.226 4.320 0.008 0.000 0.206 332 K C 0.097 176.822 176.600 0.208 0.000 1.049 332 K CA 2.099 58.524 56.287 0.231 0.000 0.933 332 K CB -0.046 32.566 32.500 0.187 0.000 0.717 332 K HN 0.958 nan 8.250 nan 0.000 0.442 333 D N 0.825 121.356 120.400 0.218 0.000 2.634 333 D HA 0.066 4.711 4.640 0.008 0.000 0.318 333 D C 0.087 176.528 176.300 0.235 0.000 1.226 333 D CA -0.221 53.901 54.000 0.202 0.000 0.899 333 D CB 1.345 42.244 40.800 0.166 0.000 1.025 333 D HN 0.054 nan 8.370 nan 0.000 0.501 334 E N 0.633 120.985 120.200 0.254 0.000 2.118 334 E HA -0.141 4.214 4.350 0.008 0.000 0.195 334 E C 2.136 178.952 176.600 0.360 0.000 0.992 334 E CA 0.983 57.577 56.400 0.325 0.000 0.804 334 E CB -0.033 29.823 29.700 0.259 0.000 0.741 334 E HN 0.532 nan 8.360 nan 0.000 0.458 335 G N 0.993 109.955 108.800 0.271 0.000 2.551 335 G HA2 -0.179 3.786 3.960 0.008 0.000 0.216 335 G HA3 -0.179 3.786 3.960 0.008 0.000 0.216 335 G C 1.756 176.856 174.900 0.334 0.000 1.137 335 G CA 0.909 46.184 45.100 0.291 0.000 0.798 335 G HN 0.374 nan 8.290 nan 0.000 0.536 336 S N 0.253 116.100 115.700 0.245 0.000 2.356 336 S HA -0.242 4.233 4.470 0.008 0.000 0.223 336 S C 2.139 176.777 174.600 0.063 0.000 1.032 336 S CA 1.372 59.676 58.200 0.173 0.000 1.005 336 S CB -0.832 62.391 63.200 0.038 0.000 0.867 336 S HN 0.405 nan 8.310 nan 0.000 0.449 337 Y N 2.160 122.331 120.300 -0.214 0.000 2.102 337 Y HA -0.227 4.328 4.550 0.008 0.000 0.280 337 Y C 1.816 177.546 175.900 -0.284 0.000 1.178 337 Y CA 1.686 59.491 58.100 -0.491 0.000 1.146 337 Y CB -0.831 37.216 38.460 -0.688 0.000 0.968 337 Y HN 0.276 nan 8.280 nan 0.000 0.504 338 F N -0.465 119.483 119.950 -0.004 0.000 2.365 338 F HA -0.166 4.366 4.527 0.008 0.000 0.300 338 F C 2.092 177.882 175.800 -0.016 0.000 1.090 338 F CA 0.941 58.916 58.000 -0.041 0.000 1.408 338 F CB -0.512 38.459 39.000 -0.048 0.000 1.060 338 F HN 0.037 nan 8.300 nan 0.000 0.534 339 L N -0.086 121.189 121.223 0.087 0.000 2.131 339 L HA -0.151 4.194 4.340 0.008 0.000 0.210 339 L C 2.387 179.286 176.870 0.047 0.000 1.092 339 L CA 1.057 55.836 54.840 -0.102 0.000 0.759 339 L CB -0.978 40.782 42.059 -0.498 0.000 0.903 339 L HN 0.184 nan 8.230 nan 0.000 0.435 340 V N -4.649 115.324 119.914 0.099 0.000 3.380 340 V HA -0.159 3.965 4.120 0.008 0.000 0.268 340 V C 1.234 177.235 176.094 -0.154 0.000 1.168 340 V CA 0.816 63.154 62.300 0.063 0.000 1.156 340 V CB -1.110 30.775 31.823 0.102 0.000 0.785 340 V HN 0.317 nan 8.190 nan 0.000 0.487 341 Y N 1.662 121.941 120.300 -0.035 0.000 2.683 341 Y HA 0.677 5.232 4.550 0.008 0.000 0.297 341 Y C 1.624 177.518 175.900 -0.011 0.000 1.147 341 Y CA 0.245 58.318 58.100 -0.045 0.000 1.274 341 Y CB 0.602 39.011 38.460 -0.086 0.000 1.143 341 Y HN 0.398 nan 8.280 nan 0.000 0.527 342 G N -1.118 107.748 108.800 0.110 0.000 4.106 342 G HA2 -0.057 3.908 3.960 0.008 0.000 0.220 342 G HA3 -0.057 3.908 3.960 0.008 0.000 0.220 342 G C -0.893 174.054 174.900 0.079 0.000 0.853 342 G CA -0.522 44.629 45.100 0.084 0.000 0.920 342 G HN -0.023 nan 8.290 nan 0.000 0.715 343 V N 2.540 122.513 119.914 0.100 0.000 2.333 343 V HA 0.427 4.551 4.120 0.008 0.000 0.274 343 V C -1.971 174.293 176.094 0.284 0.000 1.028 343 V CA -1.746 60.641 62.300 0.145 0.000 0.851 343 V CB 1.449 33.287 31.823 0.025 0.000 1.000 343 V HN 0.055 nan 8.190 nan 0.000 0.456 344 P HA 0.259 nan 4.420 nan 0.000 0.265 344 P C 1.016 178.410 177.300 0.156 0.000 1.193 344 P CA 1.208 64.398 63.100 0.149 0.000 0.765 344 P CB 0.708 32.461 31.700 0.087 0.000 0.823 345 G N 0.958 109.780 108.800 0.036 0.000 2.213 345 G HA2 -0.210 3.755 3.960 0.008 0.000 0.226 345 G HA3 -0.210 3.755 3.960 0.008 0.000 0.226 345 G C -0.188 174.489 174.900 -0.371 0.000 0.992 345 G CA -0.577 44.411 45.100 -0.188 0.000 0.632 345 G HN 0.398 nan 8.290 nan 0.000 0.511 346 F N 1.370 121.318 119.950 -0.004 0.000 2.443 346 F HA 0.809 5.340 4.527 0.008 0.000 0.335 346 F C 0.568 176.438 175.800 0.117 0.000 1.104 346 F CA -0.206 57.809 58.000 0.025 0.000 1.013 346 F CB 2.346 41.397 39.000 0.085 0.000 1.136 346 F HN 0.156 nan 8.300 nan 0.000 0.470 347 S N 1.375 117.297 115.700 0.370 0.000 2.543 347 S HA 0.241 4.716 4.470 0.008 0.000 0.274 347 S C 0.250 175.117 174.600 0.445 0.000 1.149 347 S CA -0.893 57.512 58.200 0.342 0.000 0.866 347 S CB 1.258 64.568 63.200 0.182 0.000 1.111 347 S HN 0.773 nan 8.310 nan 0.000 0.457 348 K N 1.443 122.017 120.400 0.291 0.000 2.288 348 K HA 0.060 4.385 4.320 0.008 0.000 0.201 348 K C 0.047 176.670 176.600 0.038 0.000 1.048 348 K CA 1.290 57.659 56.287 0.136 0.000 0.956 348 K CB -0.118 32.219 32.500 -0.273 0.000 0.746 348 K HN 0.432 nan 8.250 nan 0.000 0.461 349 D N 0.957 121.360 120.400 0.005 0.000 2.339 349 D HA 0.024 4.669 4.640 0.008 0.000 0.217 349 D C -0.301 176.024 176.300 0.041 0.000 1.050 349 D CA 0.234 54.215 54.000 -0.032 0.000 0.856 349 D CB 0.110 40.862 40.800 -0.080 0.000 0.922 349 D HN 0.500 nan 8.370 nan 0.000 0.518 350 N N -1.173 117.593 118.700 0.109 0.000 3.157 350 N HA 0.110 4.855 4.740 0.008 0.000 0.291 350 N C 0.386 175.957 175.510 0.101 0.000 1.515 350 N CA -0.525 52.566 53.050 0.068 0.000 0.807 350 N CB 0.810 39.294 38.487 -0.006 0.000 1.672 350 N HN -0.431 nan 8.380 nan 0.000 0.592 351 E N -0.438 119.746 120.200 -0.026 0.000 2.482 351 E HA 0.035 4.390 4.350 0.008 0.000 0.196 351 E C -0.369 175.880 176.600 -0.584 0.000 1.047 351 E CA 0.334 56.645 56.400 -0.148 0.000 0.869 351 E CB -0.576 29.072 29.700 -0.087 0.000 0.836 351 E HN 0.581 nan 8.360 nan 0.000 0.520 352 S N 0.175 115.572 115.700 -0.506 0.000 3.581 352 S HA -0.190 4.285 4.470 0.008 0.000 0.354 352 S C 0.327 174.486 174.600 -0.735 0.000 1.059 352 S CA 0.175 57.933 58.200 -0.737 0.000 1.060 352 S CB -1.848 60.676 63.200 -1.126 0.000 0.908 352 S HN 0.296 nan 8.310 nan 0.000 0.475 353 L N 1.710 122.658 121.223 -0.460 0.000 2.433 353 L HA 0.393 4.738 4.340 0.008 0.000 0.275 353 L C 0.748 177.413 176.870 -0.342 0.000 1.128 353 L CA 0.046 54.680 54.840 -0.345 0.000 0.875 353 L CB -0.018 41.911 42.059 -0.216 0.000 1.171 353 L HN 0.436 nan 8.230 nan 0.000 0.463 354 I N 0.143 120.510 120.570 -0.338 0.000 2.863 354 I HA 0.662 4.836 4.170 0.008 0.000 0.311 354 I C 0.484 176.522 176.117 -0.131 0.000 1.026 354 I CA -0.664 60.473 61.300 -0.272 0.000 1.077 354 I CB 1.989 39.785 38.000 -0.340 0.000 1.262 354 I HN 0.554 nan 8.210 nan 0.000 0.461 355 S N 2.135 117.791 115.700 -0.073 0.000 2.669 355 S HA 0.381 4.856 4.470 0.008 0.000 0.270 355 S C 0.940 175.562 174.600 0.038 0.000 1.225 355 S CA -0.476 57.710 58.200 -0.023 0.000 0.991 355 S CB 1.577 64.770 63.200 -0.012 0.000 0.987 355 S HN 0.880 nan 8.310 nan 0.000 0.552 356 R N 0.593 121.119 120.500 0.044 0.000 2.091 356 R HA -0.101 4.243 4.340 0.008 0.000 0.238 356 R C 2.344 178.736 176.300 0.153 0.000 1.136 356 R CA 1.717 57.880 56.100 0.105 0.000 0.959 356 R CB -1.167 29.173 30.300 0.066 0.000 0.856 356 R HN 0.840 nan 8.270 nan 0.000 0.437 357 A N 0.480 123.355 122.820 0.093 0.000 1.908 357 A HA -0.231 4.094 4.320 0.008 0.000 0.218 357 A C 2.049 179.688 177.584 0.090 0.000 1.181 357 A CA 1.677 53.762 52.037 0.080 0.000 0.627 357 A CB -0.527 18.502 19.000 0.049 0.000 0.818 357 A HN 0.542 nan 8.150 nan 0.000 0.445 358 Q N -1.975 117.880 119.800 0.093 0.000 2.224 358 Q HA -0.091 4.253 4.340 0.008 0.000 0.203 358 Q C 1.792 177.909 176.000 0.195 0.000 0.970 358 Q CA 1.349 57.218 55.803 0.110 0.000 0.865 358 Q CB -0.258 28.516 28.738 0.059 0.000 0.922 358 Q HN 0.822 nan 8.270 nan 0.000 0.445 359 F N 0.870 120.856 119.950 0.061 0.000 2.128 359 F HA -0.160 4.372 4.527 0.008 0.000 0.295 359 F C 1.675 177.516 175.800 0.068 0.000 1.100 359 F CA 0.941 58.988 58.000 0.079 0.000 1.260 359 F CB 0.101 39.130 39.000 0.050 0.000 1.009 359 F HN -0.053 nan 8.300 nan 0.000 0.476 360 L N 0.396 121.595 121.223 -0.040 0.000 2.012 360 L HA -0.212 4.133 4.340 0.008 0.000 0.210 360 L C 2.874 179.681 176.870 -0.106 0.000 1.073 360 L CA 1.228 55.987 54.840 -0.135 0.000 0.748 360 L CB -1.597 40.465 42.059 0.005 0.000 0.891 360 L HN 0.253 nan 8.230 nan 0.000 0.431 361 A N 0.724 123.530 122.820 -0.023 0.000 1.902 361 A HA -0.119 4.205 4.320 0.008 0.000 0.217 361 A C 2.435 180.007 177.584 -0.020 0.000 1.181 361 A CA 1.791 53.824 52.037 -0.006 0.000 0.623 361 A CB -1.247 17.770 19.000 0.030 0.000 0.818 361 A HN 0.455 nan 8.150 nan 0.000 0.443 362 G N -0.738 108.055 108.800 -0.012 0.000 2.408 362 G HA2 -0.074 3.891 3.960 0.008 0.000 0.217 362 G HA3 -0.074 3.891 3.960 0.008 0.000 0.217 362 G C 1.481 176.316 174.900 -0.108 0.000 1.150 362 G CA 1.113 46.204 45.100 -0.014 0.000 0.776 362 G HN 0.309 nan 8.290 nan 0.000 0.542 363 V N 0.933 120.707 119.914 -0.234 0.000 2.343 363 V HA -0.144 3.981 4.120 0.008 0.000 0.247 363 V C 2.996 179.028 176.094 -0.105 0.000 1.051 363 V CA 1.653 63.816 62.300 -0.229 0.000 1.036 363 V CB -0.367 31.232 31.823 -0.373 0.000 0.654 363 V HN 0.212 nan 8.190 nan 0.000 0.451 364 R N -0.141 120.310 120.500 -0.081 0.000 2.120 364 R HA 0.011 4.355 4.340 0.008 0.000 0.234 364 R C 2.035 178.319 176.300 -0.027 0.000 1.123 364 R CA 1.385 57.461 56.100 -0.040 0.000 0.975 364 R CB -0.842 29.441 30.300 -0.027 0.000 0.866 364 R HN 0.489 nan 8.270 nan 0.000 0.446 365 I N -0.540 120.013 120.570 -0.029 0.000 2.406 365 I HA -0.075 4.100 4.170 0.008 0.000 0.249 365 I C 2.220 178.325 176.117 -0.021 0.000 1.122 365 I CA 1.371 62.659 61.300 -0.019 0.000 1.431 365 I CB -0.450 37.546 38.000 -0.007 0.000 1.087 365 I HN 0.183 nan 8.210 nan 0.000 0.424 366 G N 0.316 109.098 108.800 -0.030 0.000 2.511 366 G HA2 0.008 3.973 3.960 0.008 0.000 0.217 366 G HA3 0.008 3.973 3.960 0.008 0.000 0.217 366 G C 0.800 175.717 174.900 0.027 0.000 1.133 366 G CA 0.315 45.404 45.100 -0.019 0.000 0.792 366 G HN 0.235 nan 8.290 nan 0.000 0.539 367 V N 2.052 121.973 119.914 0.011 0.000 2.361 367 V HA 0.222 4.347 4.120 0.008 0.000 0.252 367 V C -1.499 174.607 176.094 0.020 0.000 0.986 367 V CA -1.061 61.250 62.300 0.019 0.000 1.033 367 V CB 1.614 33.425 31.823 -0.020 0.000 1.282 367 V HN 0.072 nan 8.190 nan 0.000 0.514 368 P HA -0.118 nan 4.420 nan 0.000 0.223 368 P C 0.866 178.169 177.300 0.005 0.000 1.151 368 P CA 0.879 63.980 63.100 0.003 0.000 0.787 368 P CB 0.419 32.111 31.700 -0.012 0.000 0.788 369 Q N 0.030 119.843 119.800 0.022 0.000 2.482 369 Q HA 0.258 4.603 4.340 0.008 0.000 0.209 369 Q C 0.996 176.997 176.000 0.002 0.000 0.961 369 Q CA 0.059 55.869 55.803 0.012 0.000 0.945 369 Q CB -1.065 27.687 28.738 0.024 0.000 1.012 369 Q HN 0.141 nan 8.270 nan 0.000 0.515 370 A N 1.297 124.118 122.820 0.001 0.000 2.401 370 A HA 0.484 4.808 4.320 0.008 0.000 0.259 370 A C 0.456 178.034 177.584 -0.010 0.000 1.103 370 A CA -0.330 51.702 52.037 -0.008 0.000 0.789 370 A CB 0.244 19.242 19.000 -0.004 0.000 1.035 370 A HN 0.386 nan 8.150 nan 0.000 0.491 371 S N 1.869 117.558 115.700 -0.017 0.000 2.596 371 S HA 0.082 4.557 4.470 0.008 0.000 0.260 371 S C 0.404 175.003 174.600 -0.001 0.000 1.336 371 S CA 0.202 58.395 58.200 -0.012 0.000 0.993 371 S CB 0.388 63.576 63.200 -0.020 0.000 0.923 371 S HN 0.627 nan 8.310 nan 0.000 0.567 372 D N 0.112 120.515 120.400 0.004 0.000 2.123 372 D HA -0.088 4.557 4.640 0.008 0.000 0.196 372 D C 1.688 178.005 176.300 0.027 0.000 0.992 372 D CA 0.976 54.984 54.000 0.014 0.000 0.833 372 D CB -0.419 40.390 40.800 0.015 0.000 0.954 372 D HN 0.436 nan 8.370 nan 0.000 0.455 373 L N 0.548 121.786 121.223 0.025 0.000 2.056 373 L HA 0.025 4.370 4.340 0.008 0.000 0.207 373 L C 2.072 178.978 176.870 0.059 0.000 1.078 373 L CA 1.538 56.404 54.840 0.043 0.000 0.749 373 L CB -0.783 41.295 42.059 0.033 0.000 0.901 373 L HN -0.022 nan 8.230 nan 0.000 0.433 374 A N -0.420 122.415 122.820 0.026 0.000 1.902 374 A HA -0.134 4.191 4.320 0.008 0.000 0.217 374 A C 2.455 180.078 177.584 0.064 0.000 1.181 374 A CA 1.874 53.925 52.037 0.023 0.000 0.623 374 A CB -1.173 17.805 19.000 -0.037 0.000 0.818 374 A HN 0.552 nan 8.150 nan 0.000 0.443 375 A N -0.677 122.168 122.820 0.043 0.000 1.902 375 A HA -0.162 4.163 4.320 0.008 0.000 0.217 375 A C 1.987 179.614 177.584 0.071 0.000 1.181 375 A CA 1.743 53.804 52.037 0.040 0.000 0.623 375 A CB -0.470 18.537 19.000 0.011 0.000 0.818 375 A HN 0.443 nan 8.150 nan 0.000 0.443 376 E N -0.047 120.204 120.200 0.085 0.000 2.085 376 E HA -0.187 4.168 4.350 0.008 0.000 0.194 376 E C 2.370 179.067 176.600 0.163 0.000 0.994 376 E CA 1.321 57.792 56.400 0.119 0.000 0.801 376 E CB -0.575 29.188 29.700 0.105 0.000 0.743 376 E HN 0.556 nan 8.360 nan 0.000 0.453 377 A N 0.736 123.668 122.820 0.186 0.000 1.908 377 A HA -0.159 4.165 4.320 0.008 0.000 0.218 377 A C 2.622 180.315 177.584 0.181 0.000 1.181 377 A CA 1.633 53.822 52.037 0.252 0.000 0.627 377 A CB -0.664 18.600 19.000 0.440 0.000 0.818 377 A HN 0.151 nan 8.150 nan 0.000 0.445 378 V N -0.536 119.500 119.914 0.202 0.000 2.295 378 V HA -0.228 3.897 4.120 0.008 0.000 0.246 378 V C 2.569 178.821 176.094 0.262 0.000 1.049 378 V CA 1.965 64.359 62.300 0.156 0.000 1.024 378 V CB -0.836 31.078 31.823 0.152 0.000 0.648 378 V HN 0.367 nan 8.190 nan 0.000 0.447 379 V N -0.389 119.649 119.914 0.208 0.000 2.332 379 V HA -0.259 3.866 4.120 0.008 0.000 0.248 379 V C 2.372 178.699 176.094 0.388 0.000 1.055 379 V CA 1.895 64.379 62.300 0.306 0.000 1.038 379 V CB -0.568 31.378 31.823 0.205 0.000 0.651 379 V HN 0.393 nan 8.190 nan 0.000 0.450 380 L N -0.604 120.836 121.223 0.360 0.000 2.083 380 L HA -0.162 4.182 4.340 0.008 0.000 0.209 380 L C 2.406 179.511 176.870 0.392 0.000 1.083 380 L CA 2.163 57.303 54.840 0.501 0.000 0.752 380 L CB -1.052 41.213 42.059 0.343 0.000 0.899 380 L HN 0.485 nan 8.230 nan 0.000 0.433 381 H N -2.134 116.964 119.070 0.046 0.000 2.389 381 H HA -0.170 4.390 4.556 0.007 0.000 0.299 381 H C 1.684 176.913 175.328 -0.164 0.000 1.081 381 H CA 1.816 57.742 56.048 -0.204 0.000 1.345 381 H CB 0.023 29.341 29.762 -0.740 0.000 1.393 381 H HN 0.340 nan 8.280 nan 0.000 0.520 382 Y N -0.199 120.171 120.300 0.117 0.000 2.500 382 Y HA 0.138 4.694 4.550 0.009 0.000 0.270 382 Y C 0.838 176.784 175.900 0.078 0.000 1.134 382 Y CA 0.318 58.510 58.100 0.153 0.000 1.293 382 Y CB 0.295 38.973 38.460 0.363 0.000 1.063 382 Y HN 0.039 nan 8.280 nan 0.000 0.534 383 T N 1.333 115.911 114.554 0.040 0.000 2.916 383 T HA -0.049 4.306 4.350 0.008 0.000 0.303 383 T C -0.284 174.080 174.700 -0.560 0.000 1.025 383 T CA -0.216 61.647 62.100 -0.395 0.000 1.142 383 T CB 0.272 68.547 68.868 -0.988 0.000 0.947 383 T HN 0.054 nan 8.240 nan 0.000 0.544 384 D N 1.978 121.986 120.400 -0.652 0.000 2.393 384 D HA 0.109 4.754 4.640 0.008 0.000 0.232 384 D C 0.098 176.087 176.300 -0.520 0.000 1.192 384 D CA -0.689 52.920 54.000 -0.652 0.000 0.882 384 D CB 0.307 40.521 40.800 -0.977 0.000 1.038 384 D HN 0.597 nan 8.370 nan 0.000 0.499 385 W N 3.093 124.296 121.300 -0.162 0.000 2.699 385 W HA 0.063 4.727 4.660 0.006 0.000 0.249 385 W C 1.960 178.378 176.519 -0.169 0.000 1.280 385 W CA -0.226 57.042 57.345 -0.128 0.000 1.345 385 W CB 0.060 29.461 29.460 -0.098 0.000 1.128 385 W HN 0.425 nan 8.180 nan 0.000 0.642 386 L N -1.092 120.062 121.223 -0.115 0.000 2.341 386 L HA -0.031 4.314 4.340 0.008 0.000 0.214 386 L C 0.035 176.538 176.870 -0.612 0.000 1.115 386 L CA 1.078 55.708 54.840 -0.350 0.000 0.820 386 L CB -0.143 41.639 42.059 -0.463 0.000 0.944 386 L HN 0.039 nan 8.230 nan 0.000 0.452 387 H N -2.053 116.932 119.070 -0.142 0.000 2.514 387 H HA 0.149 4.710 4.556 0.007 0.000 0.226 387 H C -1.916 173.284 175.328 -0.213 0.000 1.421 387 H CA -1.093 54.866 56.048 -0.148 0.000 1.394 387 H CB 0.451 30.123 29.762 -0.150 0.000 1.701 387 H HN -0.053 nan 8.280 nan 0.000 0.515 388 P HA -0.127 nan 4.420 nan 0.000 0.223 388 P C 0.796 178.003 177.300 -0.156 0.000 1.151 388 P CA 1.125 64.068 63.100 -0.263 0.000 0.787 388 P CB 0.587 32.156 31.700 -0.219 0.000 0.788 389 E N -0.717 119.444 120.200 -0.065 0.000 2.526 389 E HA 0.051 4.406 4.350 0.008 0.000 0.208 389 E C -0.130 176.447 176.600 -0.038 0.000 0.997 389 E CA -0.078 56.298 56.400 -0.041 0.000 0.961 389 E CB -0.131 29.562 29.700 -0.011 0.000 1.030 389 E HN 0.280 nan 8.360 nan 0.000 0.483 390 D N 2.492 122.874 120.400 -0.030 0.000 2.382 390 D HA 0.004 4.649 4.640 0.008 0.000 0.259 390 D C -1.584 174.684 176.300 -0.053 0.000 1.224 390 D CA -1.585 52.392 54.000 -0.039 0.000 0.894 390 D CB 1.332 42.103 40.800 -0.049 0.000 1.127 390 D HN -0.180 nan 8.370 nan 0.000 0.487 391 P HA -0.110 nan 4.420 nan 0.000 0.218 391 P C 1.093 178.321 177.300 -0.120 0.000 1.149 391 P CA 0.957 63.993 63.100 -0.106 0.000 0.817 391 P CB 0.223 31.855 31.700 -0.114 0.000 0.785 392 T N -1.773 112.728 114.554 -0.088 0.000 2.737 392 T HA -0.173 4.182 4.350 0.008 0.000 0.265 392 T C 1.747 176.415 174.700 -0.054 0.000 1.038 392 T CA 1.564 63.620 62.100 -0.073 0.000 1.144 392 T CB -1.009 67.833 68.868 -0.042 0.000 0.866 392 T HN 0.268 nan 8.240 nan 0.000 0.434 393 H N 0.989 119.997 119.070 -0.104 0.000 2.387 393 H HA 0.092 4.652 4.556 0.007 0.000 0.299 393 H C 1.988 177.221 175.328 -0.159 0.000 1.090 393 H CA 1.227 57.212 56.048 -0.104 0.000 1.332 393 H CB -0.486 29.205 29.762 -0.119 0.000 1.386 393 H HN 0.233 nan 8.280 nan 0.000 0.516 394 L N 0.068 121.133 121.223 -0.263 0.000 2.046 394 L HA -0.168 4.177 4.340 0.008 0.000 0.208 394 L C 2.913 179.654 176.870 -0.214 0.000 1.077 394 L CA 1.495 56.084 54.840 -0.419 0.000 0.747 394 L CB -0.506 41.385 42.059 -0.281 0.000 0.896 394 L HN 0.304 nan 8.230 nan 0.000 0.432 395 R N 0.642 121.074 120.500 -0.113 0.000 2.080 395 R HA -0.199 4.146 4.340 0.008 0.000 0.236 395 R C 1.670 178.035 176.300 0.109 0.000 1.137 395 R CA 2.287 58.406 56.100 0.031 0.000 0.943 395 R CB -0.470 29.727 30.300 -0.172 0.000 0.846 395 R HN 0.342 nan 8.270 nan 0.000 0.431 396 D N 0.291 120.689 120.400 -0.004 0.000 2.219 396 D HA -0.075 4.569 4.640 0.008 0.000 0.205 396 D C 1.659 177.957 176.300 -0.004 0.000 0.970 396 D CA 1.268 55.297 54.000 0.048 0.000 0.851 396 D CB -0.125 40.692 40.800 0.028 0.000 0.943 396 D HN 0.404 nan 8.370 nan 0.000 0.488 397 A N 0.528 123.231 122.820 -0.195 0.000 1.929 397 A HA -0.092 4.233 4.320 0.008 0.000 0.216 397 A C 2.114 179.776 177.584 0.131 0.000 1.176 397 A CA 1.071 53.051 52.037 -0.096 0.000 0.628 397 A CB -0.372 18.378 19.000 -0.418 0.000 0.816 397 A HN 0.120 nan 8.150 nan 0.000 0.444 398 M N 0.011 119.751 119.600 0.232 0.000 2.117 398 M HA -0.099 4.386 4.480 0.008 0.000 0.262 398 M C 2.292 178.634 176.300 0.070 0.000 1.065 398 M CA 2.107 57.565 55.300 0.263 0.000 1.114 398 M CB -0.581 32.224 32.600 0.341 0.000 1.361 398 M HN 0.398 nan 8.290 nan 0.000 0.408 399 S N -0.300 115.465 115.700 0.108 0.000 2.359 399 S HA -0.144 4.331 4.470 0.008 0.000 0.224 399 S C 2.058 176.722 174.600 0.107 0.000 1.035 399 S CA 1.743 60.021 58.200 0.130 0.000 1.018 399 S CB -0.660 62.687 63.200 0.244 0.000 0.876 399 S HN 0.640 nan 8.310 nan 0.000 0.448 400 A N 0.820 123.715 122.820 0.125 0.000 1.902 400 A HA 0.002 4.327 4.320 0.008 0.000 0.217 400 A C 2.365 179.977 177.584 0.048 0.000 1.181 400 A CA 1.751 53.890 52.037 0.170 0.000 0.623 400 A CB -1.140 18.061 19.000 0.335 0.000 0.818 400 A HN 0.462 nan 8.150 nan 0.000 0.443 401 V N -0.351 119.431 119.914 -0.219 0.000 2.252 401 V HA -0.292 3.833 4.120 0.008 0.000 0.249 401 V C 2.585 178.579 176.094 -0.167 0.000 1.056 401 V CA 2.301 64.402 62.300 -0.331 0.000 1.022 401 V CB -0.880 30.760 31.823 -0.305 0.000 0.641 401 V HN 0.390 nan 8.190 nan 0.000 0.445 402 V N 0.553 120.399 119.914 -0.114 0.000 2.307 402 V HA -0.155 3.970 4.120 0.008 0.000 0.245 402 V C 2.601 178.573 176.094 -0.203 0.000 1.045 402 V CA 2.198 64.418 62.300 -0.133 0.000 1.024 402 V CB -1.338 30.463 31.823 -0.037 0.000 0.651 402 V HN 0.624 nan 8.190 nan 0.000 0.449 403 G N -0.488 108.269 108.800 -0.072 0.000 2.402 403 G HA2 -0.218 3.747 3.960 0.008 0.000 0.216 403 G HA3 -0.218 3.747 3.960 0.008 0.000 0.216 403 G C 1.225 176.047 174.900 -0.130 0.000 1.162 403 G CA 0.970 46.041 45.100 -0.048 0.000 0.777 403 G HN 0.502 nan 8.290 nan 0.000 0.539 404 D N -0.326 120.005 120.400 -0.115 0.000 2.103 404 D HA -0.062 4.583 4.640 0.008 0.000 0.199 404 D C 2.117 178.090 176.300 -0.544 0.000 0.978 404 D CA 1.129 55.026 54.000 -0.172 0.000 0.829 404 D CB -0.439 40.420 40.800 0.097 0.000 0.981 404 D HN 0.363 nan 8.370 nan 0.000 0.464 405 H N 1.111 119.580 119.070 -1.002 0.000 2.353 405 H HA 0.023 4.584 4.556 0.007 0.000 0.300 405 H C 1.480 176.386 175.328 -0.703 0.000 1.090 405 H CA 1.637 56.891 56.048 -1.323 0.000 1.327 405 H CB -0.031 28.913 29.762 -1.363 0.000 1.383 405 H HN -0.001 nan 8.280 nan 0.000 0.508 406 N N -0.743 117.491 118.700 -0.776 0.000 2.395 406 N HA -0.014 4.731 4.740 0.008 0.000 0.175 406 N C 1.275 176.528 175.510 -0.428 0.000 1.029 406 N CA 1.131 53.662 53.050 -0.865 0.000 0.897 406 N CB 0.980 38.315 38.487 -1.921 0.000 0.991 406 N HN 0.282 nan 8.380 nan 0.000 0.441 407 V N -0.608 119.117 119.914 -0.315 0.000 3.279 407 V HA 0.049 4.174 4.120 0.008 0.000 0.213 407 V C 2.116 178.171 176.094 -0.066 0.000 1.335 407 V CA 0.187 62.440 62.300 -0.078 0.000 1.317 407 V CB 0.020 31.867 31.823 0.040 0.000 1.209 407 V HN -0.173 nan 8.190 nan 0.000 0.525 408 V N 0.081 119.954 119.914 -0.069 0.000 2.295 408 V HA -0.273 3.852 4.120 0.008 0.000 0.246 408 V C 2.478 178.539 176.094 -0.055 0.000 1.049 408 V CA 2.543 64.818 62.300 -0.042 0.000 1.024 408 V CB -0.764 31.062 31.823 0.006 0.000 0.648 408 V HN 0.665 nan 8.190 nan 0.000 0.447 409 c N -0.410 118.149 118.600 -0.069 0.000 2.466 409 c HA 0.018 4.593 4.570 0.008 0.000 0.278 409 c C 0.560 174.622 174.090 -0.046 0.000 1.288 409 c CA 0.783 57.102 56.329 -0.016 0.000 1.722 409 c CB -1.806 40.738 42.510 0.057 0.000 2.017 409 c HN 0.451 nan 8.230 nan 0.000 0.488 410 P HA -0.075 nan 4.420 nan 0.000 0.216 410 P C 1.760 179.000 177.300 -0.101 0.000 1.150 410 P CA 1.354 64.388 63.100 -0.110 0.000 0.837 410 P CB -0.156 31.448 31.700 -0.160 0.000 0.786 411 V N 0.185 120.040 119.914 -0.098 0.000 2.295 411 V HA -0.264 3.861 4.120 0.008 0.000 0.246 411 V C 2.470 178.467 176.094 -0.162 0.000 1.049 411 V CA 2.276 64.500 62.300 -0.126 0.000 1.024 411 V CB -1.720 30.026 31.823 -0.128 0.000 0.648 411 V HN 0.100 nan 8.190 nan 0.000 0.447 412 A N -0.722 122.019 122.820 -0.131 0.000 1.883 412 A HA -0.352 3.973 4.320 0.008 0.000 0.217 412 A C 2.258 179.804 177.584 -0.063 0.000 1.186 412 A CA 2.401 54.369 52.037 -0.115 0.000 0.624 412 A CB -0.634 18.351 19.000 -0.025 0.000 0.822 412 A HN 0.621 nan 8.150 nan 0.000 0.444 413 Q N -0.983 118.796 119.800 -0.035 0.000 2.061 413 Q HA -0.198 4.147 4.340 0.008 0.000 0.204 413 Q C 2.021 177.997 176.000 -0.040 0.000 0.984 413 Q CA 1.814 57.610 55.803 -0.013 0.000 0.846 413 Q CB -0.274 28.455 28.738 -0.014 0.000 0.902 413 Q HN 0.554 nan 8.270 nan 0.000 0.421 414 L N 0.619 121.790 121.223 -0.087 0.000 1.989 414 L HA -0.129 4.215 4.340 0.008 0.000 0.211 414 L C 2.264 179.058 176.870 -0.127 0.000 1.071 414 L CA 2.357 57.128 54.840 -0.115 0.000 0.749 414 L CB -0.958 41.018 42.059 -0.138 0.000 0.890 414 L HN 0.273 nan 8.230 nan 0.000 0.431 415 A N -0.545 122.164 122.820 -0.186 0.000 1.908 415 A HA -0.123 4.202 4.320 0.008 0.000 0.218 415 A C 2.333 179.916 177.584 -0.002 0.000 1.181 415 A CA 1.785 53.673 52.037 -0.247 0.000 0.627 415 A CB -1.655 16.915 19.000 -0.716 0.000 0.818 415 A HN 0.566 nan 8.150 nan 0.000 0.445 416 G N -0.755 108.101 108.800 0.094 0.000 2.404 416 G HA2 -0.188 3.777 3.960 0.008 0.000 0.215 416 G HA3 -0.188 3.777 3.960 0.008 0.000 0.215 416 G C 1.656 176.632 174.900 0.127 0.000 1.174 416 G CA 0.799 46.038 45.100 0.232 0.000 0.780 416 G HN 0.391 nan 8.290 nan 0.000 0.537 417 R N -0.091 120.449 120.500 0.066 0.000 2.073 417 R HA 0.049 4.394 4.340 0.008 0.000 0.234 417 R C 2.516 178.862 176.300 0.078 0.000 1.134 417 R CA 0.465 56.606 56.100 0.069 0.000 0.952 417 R CB -1.349 28.979 30.300 0.047 0.000 0.850 417 R HN 0.312 nan 8.270 nan 0.000 0.433 418 L N 0.634 121.849 121.223 -0.013 0.000 2.017 418 L HA -0.074 4.271 4.340 0.008 0.000 0.208 418 L C 2.396 179.315 176.870 0.081 0.000 1.073 418 L CA 2.022 56.830 54.840 -0.054 0.000 0.745 418 L CB -1.315 40.638 42.059 -0.177 0.000 0.894 418 L HN 0.176 nan 8.230 nan 0.000 0.432 419 A N -0.815 122.061 122.820 0.094 0.000 1.877 419 A HA -0.140 4.185 4.320 0.008 0.000 0.216 419 A C 2.450 180.092 177.584 0.097 0.000 1.186 419 A CA 1.785 53.886 52.037 0.108 0.000 0.620 419 A CB -0.967 18.129 19.000 0.160 0.000 0.822 419 A HN 0.393 nan 8.150 nan 0.000 0.443 420 A N -1.203 121.677 122.820 0.101 0.000 2.024 420 A HA -0.161 4.164 4.320 0.008 0.000 0.220 420 A C 1.840 179.480 177.584 0.094 0.000 1.164 420 A CA 1.684 53.771 52.037 0.084 0.000 0.643 420 A CB -0.340 18.708 19.000 0.081 0.000 0.806 420 A HN 0.632 nan 8.150 nan 0.000 0.451 421 Q N -1.995 117.891 119.800 0.143 0.000 2.201 421 Q HA 0.390 4.735 4.340 0.008 0.000 0.236 421 Q C 0.864 176.963 176.000 0.164 0.000 0.857 421 Q CA 0.384 56.284 55.803 0.161 0.000 1.025 421 Q CB 0.526 29.416 28.738 0.254 0.000 1.124 421 Q HN 0.778 nan 8.270 nan 0.000 0.473 422 G N -0.260 108.615 108.800 0.126 0.000 2.213 422 G HA2 -0.267 3.698 3.960 0.008 0.000 0.226 422 G HA3 -0.267 3.698 3.960 0.008 0.000 0.226 422 G C 0.341 175.308 174.900 0.111 0.000 0.992 422 G CA -0.216 44.943 45.100 0.099 0.000 0.632 422 G HN 0.529 nan 8.290 nan 0.000 0.511 423 A N 0.091 123.001 122.820 0.151 0.000 2.366 423 A HA 0.713 5.038 4.320 0.008 0.000 0.249 423 A C 0.637 178.262 177.584 0.068 0.000 1.084 423 A CA 0.624 52.736 52.037 0.125 0.000 0.794 423 A CB 0.324 19.390 19.000 0.111 0.000 1.034 423 A HN 0.768 nan 8.150 nan 0.000 0.491 424 R N 1.114 121.651 120.500 0.061 0.000 2.221 424 R HA 0.519 4.864 4.340 0.008 0.000 0.327 424 R C -1.475 174.813 176.300 -0.020 0.000 1.033 424 R CA -0.169 55.932 56.100 0.002 0.000 0.887 424 R CB 0.584 30.906 30.300 0.037 0.000 1.057 424 R HN 0.475 nan 8.270 nan 0.000 0.455 425 V N 5.541 125.373 119.914 -0.136 0.000 2.604 425 V HA 0.417 4.542 4.120 0.008 0.000 0.305 425 V C -1.121 174.794 176.094 -0.298 0.000 1.043 425 V CA -0.794 61.443 62.300 -0.105 0.000 0.888 425 V CB 1.599 33.427 31.823 0.009 0.000 0.995 425 V HN 0.662 nan 8.190 nan 0.000 0.429 426 Y N 2.112 122.358 120.300 -0.089 0.000 2.376 426 Y HA 0.793 5.348 4.550 0.007 0.000 0.340 426 Y C 0.314 176.263 175.900 0.082 0.000 0.965 426 Y CA -0.523 57.513 58.100 -0.106 0.000 1.078 426 Y CB 2.218 40.257 38.460 -0.702 0.000 1.193 426 Y HN 0.774 nan 8.280 nan 0.000 0.452 427 A N 3.175 126.337 122.820 0.571 0.000 2.401 427 A HA 0.875 5.200 4.320 0.008 0.000 0.310 427 A C -1.851 176.120 177.584 0.644 0.000 1.075 427 A CA -0.700 51.567 52.037 0.383 0.000 0.746 427 A CB 1.095 20.142 19.000 0.079 0.000 1.277 427 A HN 0.744 nan 8.150 nan 0.000 0.425 428 Y N -0.612 119.942 120.300 0.423 0.000 2.615 428 Y HA 0.787 5.340 4.550 0.006 0.000 0.341 428 Y C -1.197 174.893 175.900 0.317 0.000 1.089 428 Y CA -1.675 56.632 58.100 0.346 0.000 1.049 428 Y CB 1.286 39.947 38.460 0.335 0.000 1.296 428 Y HN 0.714 nan 8.280 nan 0.000 0.470 429 I N 3.353 124.268 120.570 0.575 0.000 2.436 429 I HA 0.470 4.645 4.170 0.008 0.000 0.289 429 I C -1.778 174.688 176.117 0.581 0.000 1.010 429 I CA -1.030 60.571 61.300 0.501 0.000 1.098 429 I CB 1.009 39.233 38.000 0.373 0.000 1.266 429 I HN 0.728 nan 8.210 nan 0.000 0.434 430 F N 7.464 127.709 119.950 0.491 0.000 2.411 430 F HA 0.397 4.929 4.527 0.009 0.000 0.355 430 F C 0.507 176.452 175.800 0.243 0.000 1.117 430 F CA 0.123 58.334 58.000 0.351 0.000 1.139 430 F CB 0.862 40.074 39.000 0.353 0.000 1.120 430 F HN 0.563 nan 8.300 nan 0.000 0.493 431 E N 3.208 123.235 120.200 -0.288 0.000 2.676 431 E HA -0.018 4.337 4.350 0.008 0.000 0.222 431 E C -0.881 175.559 176.600 -0.267 0.000 0.968 431 E CA -0.174 56.142 56.400 -0.141 0.000 1.090 431 E CB 0.285 29.950 29.700 -0.057 0.000 1.066 431 E HN 0.561 nan 8.360 nan 0.000 0.496 432 H N 1.487 120.112 119.070 -0.742 0.000 2.517 432 H HA 0.240 4.800 4.556 0.007 0.000 0.317 432 H C -0.363 174.875 175.328 -0.150 0.000 1.080 432 H CA -0.641 55.084 56.048 -0.538 0.000 1.301 432 H CB 0.626 29.857 29.762 -0.886 0.000 1.425 432 H HN -0.135 nan 8.280 nan 0.000 0.471 433 R N 4.419 124.556 120.500 -0.606 0.000 2.221 433 R HA 0.512 4.857 4.340 0.008 0.000 0.327 433 R C -0.636 175.375 176.300 -0.482 0.000 1.033 433 R CA -0.588 55.320 56.100 -0.320 0.000 0.887 433 R CB 0.406 30.619 30.300 -0.145 0.000 1.057 433 R HN 0.784 nan 8.270 nan 0.000 0.455 434 A N 3.280 126.111 122.820 0.018 0.000 2.565 434 A HA -0.016 4.309 4.320 0.008 0.000 0.237 434 A C 1.340 179.002 177.584 0.130 0.000 1.053 434 A CA 0.559 52.801 52.037 0.342 0.000 0.755 434 A CB 0.245 19.586 19.000 0.568 0.000 0.980 434 A HN 1.027 nan 8.150 nan 0.000 0.506 435 S N 1.320 117.138 115.700 0.195 0.000 2.447 435 S HA -0.139 4.336 4.470 0.008 0.000 0.233 435 S C 1.304 175.891 174.600 -0.022 0.000 1.006 435 S CA 1.496 59.742 58.200 0.077 0.000 0.957 435 S CB -0.722 62.548 63.200 0.116 0.000 0.773 435 S HN 1.272 nan 8.310 nan 0.000 0.507 436 T N -0.888 113.616 114.554 -0.084 0.000 3.144 436 T HA 0.373 4.728 4.350 0.008 0.000 0.249 436 T C 0.298 174.923 174.700 -0.125 0.000 1.089 436 T CA -0.572 61.415 62.100 -0.188 0.000 0.989 436 T CB -0.445 68.160 68.868 -0.437 0.000 0.992 436 T HN 0.209 nan 8.240 nan 0.000 0.540 437 L N 3.966 125.152 121.223 -0.062 0.000 2.499 437 L HA 0.263 4.608 4.340 0.008 0.000 0.273 437 L C 1.640 178.458 176.870 -0.087 0.000 1.195 437 L CA 0.747 55.541 54.840 -0.076 0.000 0.882 437 L CB 0.899 42.918 42.059 -0.067 0.000 1.133 437 L HN 0.449 nan 8.230 nan 0.000 0.483 438 T N -0.673 113.796 114.554 -0.143 0.000 3.037 438 T HA 0.079 4.434 4.350 0.008 0.000 0.251 438 T C 0.445 175.139 174.700 -0.010 0.000 1.079 438 T CA -0.435 61.587 62.100 -0.130 0.000 1.067 438 T CB -0.291 68.401 68.868 -0.294 0.000 0.948 438 T HN 0.378 nan 8.240 nan 0.000 0.496 439 W N 3.187 124.517 121.300 0.049 0.000 2.112 439 W HA 0.405 5.071 4.660 0.009 0.000 0.349 439 W C -2.156 174.296 176.519 -0.112 0.000 1.289 439 W CA -2.096 55.262 57.345 0.021 0.000 1.256 439 W CB -0.051 29.370 29.460 -0.064 0.000 1.148 439 W HN 0.023 nan 8.180 nan 0.000 0.590 440 P HA 0.038 nan 4.420 nan 0.000 0.272 440 P C 0.549 177.778 177.300 -0.118 0.000 1.240 440 P CA -0.135 62.939 63.100 -0.043 0.000 0.791 440 P CB 0.652 32.319 31.700 -0.056 0.000 0.978 441 L N 0.120 121.332 121.223 -0.018 0.000 2.083 441 L HA -0.126 4.219 4.340 0.008 0.000 0.209 441 L C 2.453 179.345 176.870 0.037 0.000 1.083 441 L CA 1.359 56.208 54.840 0.015 0.000 0.752 441 L CB -0.898 41.202 42.059 0.068 0.000 0.899 441 L HN 0.608 nan 8.230 nan 0.000 0.433 442 W N -0.425 120.925 121.300 0.082 0.000 2.421 442 W HA -0.170 4.494 4.660 0.007 0.000 0.270 442 W C 1.717 178.300 176.519 0.106 0.000 1.233 442 W CA 0.583 57.979 57.345 0.086 0.000 1.226 442 W CB -0.842 28.669 29.460 0.085 0.000 1.121 442 W HN 0.192 nan 8.180 nan 0.000 0.579 443 M N 1.408 120.657 119.600 -0.586 0.000 2.630 443 M HA 0.102 4.587 4.480 0.008 0.000 0.254 443 M C 1.813 178.033 176.300 -0.133 0.000 1.092 443 M CA 1.489 56.466 55.300 -0.538 0.000 1.087 443 M CB -0.789 31.382 32.600 -0.714 0.000 1.453 443 M HN 0.211 nan 8.290 nan 0.000 0.509 444 G N 0.721 109.498 108.800 -0.039 0.000 2.591 444 G HA2 -0.294 3.671 3.960 0.008 0.000 0.298 444 G HA3 -0.294 3.671 3.960 0.008 0.000 0.298 444 G C -0.114 174.802 174.900 0.026 0.000 1.195 444 G CA -0.116 45.003 45.100 0.031 0.000 0.989 444 G HN 0.245 nan 8.290 nan 0.000 0.551 445 V N 3.801 123.767 119.914 0.087 0.000 2.259 445 V HA 0.485 4.610 4.120 0.008 0.000 0.267 445 V C -1.857 174.355 176.094 0.196 0.000 1.051 445 V CA -0.755 61.636 62.300 0.152 0.000 0.830 445 V CB 1.213 33.169 31.823 0.221 0.000 1.080 445 V HN 0.533 nan 8.190 nan 0.000 0.467 446 P HA 0.247 nan 4.420 nan 0.000 0.278 446 P C -0.317 177.152 177.300 0.281 0.000 1.258 446 P CA -0.638 62.551 63.100 0.148 0.000 0.811 446 P CB 0.446 32.109 31.700 -0.061 0.000 1.063 447 H N 0.511 119.638 119.070 0.095 0.000 3.140 447 H HA 0.217 4.777 4.556 0.007 0.000 0.316 447 H C 1.543 176.794 175.328 -0.128 0.000 0.986 447 H CA 2.428 58.495 56.048 0.032 0.000 1.397 447 H CB -0.565 29.230 29.762 0.054 0.000 1.377 447 H HN 0.764 nan 8.280 nan 0.000 0.585 448 G N 3.241 111.756 108.800 -0.476 0.000 2.217 448 G HA2 -0.322 3.643 3.960 0.008 0.000 0.246 448 G HA3 -0.322 3.643 3.960 0.008 0.000 0.246 448 G C 0.552 175.297 174.900 -0.260 0.000 0.990 448 G CA 0.430 45.240 45.100 -0.483 0.000 0.627 448 G HN 0.653 nan 8.290 nan 0.000 0.522 449 Y N 1.447 121.787 120.300 0.066 0.000 2.493 449 Y HA 0.266 4.820 4.550 0.007 0.000 0.275 449 Y C 2.261 178.201 175.900 0.066 0.000 1.183 449 Y CA 0.781 58.983 58.100 0.171 0.000 1.258 449 Y CB 0.453 39.062 38.460 0.248 0.000 1.108 449 Y HN 0.489 nan 8.280 nan 0.000 0.521 450 E N 0.308 120.373 120.200 -0.225 0.000 2.318 450 E HA -0.065 4.290 4.350 0.008 0.000 0.193 450 E C 1.595 178.059 176.600 -0.226 0.000 0.998 450 E CA 0.697 56.620 56.400 -0.796 0.000 0.859 450 E CB -0.323 28.645 29.700 -1.221 0.000 0.812 450 E HN 0.540 nan 8.360 nan 0.000 0.492 451 I N 2.832 123.365 120.570 -0.062 0.000 2.163 451 I HA -0.305 3.870 4.170 0.008 0.000 0.243 451 I C 2.713 178.819 176.117 -0.018 0.000 1.085 451 I CA 2.121 63.435 61.300 0.023 0.000 1.347 451 I CB -0.563 37.504 38.000 0.111 0.000 1.044 451 I HN 0.209 nan 8.210 nan 0.000 0.408 452 E N 1.096 121.233 120.200 -0.104 0.000 2.209 452 E HA -0.239 4.116 4.350 0.008 0.000 0.196 452 E C 1.993 178.347 176.600 -0.410 0.000 0.993 452 E CA 1.534 57.770 56.400 -0.272 0.000 0.819 452 E CB -0.513 29.005 29.700 -0.303 0.000 0.745 452 E HN 0.479 nan 8.360 nan 0.000 0.477 453 F N 1.071 120.901 119.950 -0.200 0.000 2.219 453 F HA 0.001 4.534 4.527 0.011 0.000 0.294 453 F C 2.294 177.861 175.800 -0.389 0.000 1.086 453 F CA 0.332 58.161 58.000 -0.285 0.000 1.330 453 F CB -0.062 38.843 39.000 -0.157 0.000 1.047 453 F HN -0.039 nan 8.300 nan 0.000 0.495 454 I N -0.663 119.750 120.570 -0.262 0.000 2.286 454 I HA -0.274 3.900 4.170 0.008 0.000 0.248 454 I C 2.041 177.919 176.117 -0.398 0.000 1.115 454 I CA 1.631 62.621 61.300 -0.516 0.000 1.392 454 I CB -1.478 36.121 38.000 -0.669 0.000 1.065 454 I HN 0.086 nan 8.210 nan 0.000 0.418 455 F N 0.922 120.689 119.950 -0.305 0.000 2.710 455 F HA 0.213 4.745 4.527 0.008 0.000 0.298 455 F C 1.909 177.574 175.800 -0.226 0.000 1.137 455 F CA 0.859 58.720 58.000 -0.230 0.000 1.444 455 F CB -0.298 38.546 39.000 -0.261 0.000 1.111 455 F HN 0.293 nan 8.300 nan 0.000 0.580 456 G N -0.003 108.645 108.800 -0.254 0.000 2.137 456 G HA2 -0.291 3.674 3.960 0.008 0.000 0.237 456 G HA3 -0.291 3.674 3.960 0.008 0.000 0.237 456 G C 0.952 175.283 174.900 -0.949 0.000 1.002 456 G CA 0.293 45.127 45.100 -0.444 0.000 0.702 456 G HN 0.284 nan 8.290 nan 0.000 0.515 457 L N 0.318 121.006 121.223 -0.891 0.000 2.127 457 L HA 0.027 4.372 4.340 0.008 0.000 0.211 457 L C 0.307 176.627 176.870 -0.916 0.000 1.089 457 L CA 2.661 56.898 54.840 -1.005 0.000 0.757 457 L CB -0.882 40.840 42.059 -0.561 0.000 0.899 457 L HN 0.209 nan 8.230 nan 0.000 0.434 458 P HA -0.107 nan 4.420 nan 0.000 0.231 458 P C 1.464 178.514 177.300 -0.417 0.000 1.158 458 P CA 0.694 63.232 63.100 -0.936 0.000 0.763 458 P CB 0.093 31.169 31.700 -1.041 0.000 0.805 459 L N -1.118 119.814 121.223 -0.484 0.000 2.376 459 L HA -0.017 4.328 4.340 0.008 0.000 0.219 459 L C 0.932 177.715 176.870 -0.145 0.000 1.133 459 L CA 1.167 55.846 54.840 -0.268 0.000 0.816 459 L CB -1.095 40.824 42.059 -0.233 0.000 0.933 459 L HN -0.033 nan 8.230 nan 0.000 0.449 460 D N -0.195 120.082 120.400 -0.205 0.000 2.336 460 D HA 0.086 4.731 4.640 0.008 0.000 0.249 460 D C -1.635 174.674 176.300 0.015 0.000 1.213 460 D CA -1.985 52.013 54.000 -0.004 0.000 0.870 460 D CB 1.630 42.455 40.800 0.042 0.000 1.076 460 D HN -0.031 nan 8.370 nan 0.000 0.483 461 P HA -0.146 nan 4.420 nan 0.000 0.216 461 P C 1.281 178.592 177.300 0.020 0.000 1.150 461 P CA 1.075 64.190 63.100 0.024 0.000 0.837 461 P CB 0.011 31.723 31.700 0.020 0.000 0.786 462 S N -1.051 114.658 115.700 0.015 0.000 2.537 462 S HA -0.059 4.416 4.470 0.008 0.000 0.240 462 S C 1.636 176.226 174.600 -0.017 0.000 0.981 462 S CA 0.745 58.943 58.200 -0.003 0.000 0.948 462 S CB -1.455 61.743 63.200 -0.004 0.000 0.759 462 S HN 0.115 nan 8.310 nan 0.000 0.531 463 L N 0.382 121.608 121.223 0.005 0.000 2.558 463 L HA 0.200 4.545 4.340 0.008 0.000 0.225 463 L C 0.351 177.142 176.870 -0.131 0.000 1.128 463 L CA -0.026 54.797 54.840 -0.028 0.000 0.868 463 L CB -0.664 41.454 42.059 0.099 0.000 1.006 463 L HN 0.226 nan 8.230 nan 0.000 0.454 464 N N -1.918 116.748 118.700 -0.056 0.000 2.850 464 N HA -0.219 4.526 4.740 0.008 0.000 0.249 464 N C -0.343 175.098 175.510 -0.116 0.000 1.060 464 N CA 0.800 53.795 53.050 -0.092 0.000 0.825 464 N CB -1.811 36.594 38.487 -0.138 0.000 1.132 464 N HN 0.292 nan 8.380 nan 0.000 0.564 465 Y N 1.126 121.406 120.300 -0.034 0.000 2.330 465 Y HA 0.168 4.723 4.550 0.008 0.000 0.341 465 Y C 2.041 177.958 175.900 0.029 0.000 1.278 465 Y CA 0.425 58.530 58.100 0.008 0.000 1.453 465 Y CB 0.398 38.848 38.460 -0.017 0.000 1.342 465 Y HN 0.090 nan 8.280 nan 0.000 0.590 466 T N -2.925 111.772 114.554 0.239 0.000 2.788 466 T HA 0.055 4.410 4.350 0.008 0.000 0.287 466 T C 1.104 175.881 174.700 0.127 0.000 1.007 466 T CA -0.318 61.869 62.100 0.145 0.000 1.005 466 T CB 0.815 69.759 68.868 0.127 0.000 1.012 466 T HN 0.701 nan 8.240 nan 0.000 0.530 467 T N 0.939 115.539 114.554 0.076 0.000 2.788 467 T HA -0.064 4.290 4.350 0.008 0.000 0.268 467 T C 1.814 176.546 174.700 0.053 0.000 1.044 467 T CA 1.639 63.771 62.100 0.053 0.000 1.139 467 T CB -0.409 68.479 68.868 0.033 0.000 0.867 467 T HN 0.724 nan 8.240 nan 0.000 0.454 468 E N 1.303 121.532 120.200 0.048 0.000 2.110 468 E HA -0.085 4.270 4.350 0.008 0.000 0.193 468 E C 2.211 178.849 176.600 0.064 0.000 0.988 468 E CA 0.958 57.373 56.400 0.025 0.000 0.804 468 E CB -0.193 29.494 29.700 -0.022 0.000 0.745 468 E HN 0.574 nan 8.360 nan 0.000 0.458 469 E N 0.196 120.475 120.200 0.132 0.000 2.106 469 E HA -0.128 4.226 4.350 0.008 0.000 0.192 469 E C 2.121 178.848 176.600 0.211 0.000 0.984 469 E CA 0.408 56.979 56.400 0.284 0.000 0.806 469 E CB -0.015 29.978 29.700 0.488 0.000 0.750 469 E HN 0.086 nan 8.360 nan 0.000 0.458 470 R N 0.686 121.242 120.500 0.093 0.000 2.083 470 R HA -0.144 4.201 4.340 0.008 0.000 0.237 470 R C 2.277 178.582 176.300 0.008 0.000 1.137 470 R CA 1.197 57.298 56.100 0.001 0.000 0.951 470 R CB -0.246 30.053 30.300 -0.000 0.000 0.851 470 R HN 0.192 nan 8.270 nan 0.000 0.434 471 I N -0.070 120.526 120.570 0.044 0.000 2.252 471 I HA -0.269 3.905 4.170 0.008 0.000 0.245 471 I C 2.208 178.368 176.117 0.071 0.000 1.102 471 I CA 0.807 62.128 61.300 0.035 0.000 1.385 471 I CB -0.338 37.683 38.000 0.034 0.000 1.064 471 I HN 0.110 nan 8.210 nan 0.000 0.414 472 F N 2.066 121.981 119.950 -0.059 0.000 2.095 472 F HA -0.269 4.262 4.527 0.007 0.000 0.298 472 F C 2.456 178.245 175.800 -0.018 0.000 1.104 472 F CA 1.358 59.315 58.000 -0.071 0.000 1.232 472 F CB -0.700 38.211 39.000 -0.149 0.000 0.987 472 F HN 0.029 nan 8.300 nan 0.000 0.475 473 A N 0.013 122.785 122.820 -0.080 0.000 1.908 473 A HA -0.268 4.057 4.320 0.008 0.000 0.218 473 A C 2.155 179.598 177.584 -0.235 0.000 1.181 473 A CA 1.956 53.872 52.037 -0.202 0.000 0.627 473 A CB -0.981 17.910 19.000 -0.182 0.000 0.818 473 A HN 0.615 nan 8.150 nan 0.000 0.445 474 Q N -0.811 118.893 119.800 -0.159 0.000 2.096 474 Q HA -0.188 4.157 4.340 0.008 0.000 0.204 474 Q C 2.372 178.260 176.000 -0.187 0.000 0.982 474 Q CA 1.674 57.392 55.803 -0.142 0.000 0.850 474 Q CB -0.194 28.491 28.738 -0.089 0.000 0.901 474 Q HN 0.629 nan 8.270 nan 0.000 0.422 475 R N 0.211 120.581 120.500 -0.216 0.000 2.083 475 R HA -0.127 4.218 4.340 0.008 0.000 0.237 475 R C 2.301 178.303 176.300 -0.497 0.000 1.137 475 R CA 1.238 57.122 56.100 -0.361 0.000 0.951 475 R CB -0.319 29.824 30.300 -0.261 0.000 0.851 475 R HN 0.258 nan 8.270 nan 0.000 0.434 476 L N -0.019 120.990 121.223 -0.357 0.000 2.056 476 L HA -0.153 4.191 4.340 0.008 0.000 0.207 476 L C 2.533 179.332 176.870 -0.119 0.000 1.078 476 L CA 1.251 55.969 54.840 -0.203 0.000 0.749 476 L CB -0.396 41.384 42.059 -0.465 0.000 0.901 476 L HN 0.235 nan 8.230 nan 0.000 0.433 477 M N -0.547 118.930 119.600 -0.204 0.000 2.106 477 M HA -0.228 4.256 4.480 0.008 0.000 0.259 477 M C 2.354 178.645 176.300 -0.015 0.000 1.068 477 M CA 1.678 56.902 55.300 -0.127 0.000 1.100 477 M CB -0.376 32.140 32.600 -0.140 0.000 1.351 477 M HN 0.070 nan 8.290 nan 0.000 0.404 478 K N -0.105 120.252 120.400 -0.073 0.000 2.002 478 K HA -0.141 4.183 4.320 0.008 0.000 0.209 478 K C 1.892 178.549 176.600 0.095 0.000 1.048 478 K CA 1.756 58.016 56.287 -0.044 0.000 0.930 478 K CB -0.610 31.800 32.500 -0.151 0.000 0.714 478 K HN 0.334 nan 8.250 nan 0.000 0.438 479 Y N -0.262 120.162 120.300 0.208 0.000 2.114 479 Y HA -0.244 4.313 4.550 0.011 0.000 0.282 479 Y C 2.478 178.523 175.900 0.242 0.000 1.165 479 Y CA 0.808 59.069 58.100 0.268 0.000 1.148 479 Y CB -0.850 37.914 38.460 0.506 0.000 0.972 479 Y HN 0.242 nan 8.280 nan 0.000 0.504 480 W N 0.513 121.885 121.300 0.121 0.000 2.381 480 W HA -0.212 4.452 4.660 0.007 0.000 0.301 480 W C 2.499 179.016 176.519 -0.002 0.000 1.205 480 W CA 2.108 59.466 57.345 0.021 0.000 1.285 480 W CB -0.540 28.859 29.460 -0.102 0.000 1.133 480 W HN 0.240 nan 8.180 nan 0.000 0.521 481 T N -2.023 112.635 114.554 0.173 0.000 2.857 481 T HA -0.145 4.210 4.350 0.008 0.000 0.266 481 T C 1.435 176.158 174.700 0.038 0.000 1.048 481 T CA 1.208 63.341 62.100 0.055 0.000 1.139 481 T CB -0.625 68.255 68.868 0.019 0.000 0.874 481 T HN -0.093 nan 8.240 nan 0.000 0.455 482 N N 1.137 119.879 118.700 0.070 0.000 2.069 482 N HA -0.045 4.699 4.740 0.008 0.000 0.191 482 N C 1.381 176.885 175.510 -0.011 0.000 1.031 482 N CA 1.236 54.307 53.050 0.036 0.000 0.852 482 N CB -0.780 37.750 38.487 0.072 0.000 1.018 482 N HN 0.482 nan 8.380 nan 0.000 0.423 483 F N 1.612 121.475 119.950 -0.144 0.000 2.102 483 F HA -0.111 4.421 4.527 0.009 0.000 0.298 483 F C 2.193 177.906 175.800 -0.145 0.000 1.105 483 F CA 1.462 59.324 58.000 -0.230 0.000 1.239 483 F CB -0.579 38.190 39.000 -0.384 0.000 0.991 483 F HN 0.049 nan 8.300 nan 0.000 0.474 484 A N 0.590 123.306 122.820 -0.173 0.000 1.908 484 A HA -0.217 4.108 4.320 0.008 0.000 0.218 484 A C 2.365 179.825 177.584 -0.207 0.000 1.181 484 A CA 1.929 53.842 52.037 -0.205 0.000 0.627 484 A CB -0.758 18.198 19.000 -0.075 0.000 0.818 484 A HN 0.484 nan 8.150 nan 0.000 0.445 485 R N -1.322 119.091 120.500 -0.144 0.000 2.075 485 R HA -0.068 4.276 4.340 0.008 0.000 0.232 485 R C 1.975 178.188 176.300 -0.143 0.000 1.126 485 R CA 1.845 57.879 56.100 -0.110 0.000 0.963 485 R CB -0.194 30.069 30.300 -0.061 0.000 0.858 485 R HN 0.740 nan 8.270 nan 0.000 0.435 486 T N -5.728 108.716 114.554 -0.184 0.000 3.009 486 T HA 0.243 4.598 4.350 0.008 0.000 0.267 486 T C 1.106 175.681 174.700 -0.209 0.000 0.942 486 T CA 0.372 62.380 62.100 -0.154 0.000 0.883 486 T CB 1.392 70.206 68.868 -0.090 0.000 1.192 486 T HN 0.321 nan 8.240 nan 0.000 0.524 487 G N 1.275 109.827 108.800 -0.413 0.000 2.143 487 G HA2 -0.148 3.817 3.960 0.008 0.000 0.249 487 G HA3 -0.148 3.817 3.960 0.008 0.000 0.249 487 G C -0.395 174.433 174.900 -0.120 0.000 0.981 487 G CA 0.169 44.968 45.100 -0.500 0.000 0.665 487 G HN 0.812 nan 8.290 nan 0.000 0.528 488 D N -0.747 119.578 120.400 -0.125 0.000 2.855 488 D HA 0.489 5.134 4.640 0.008 0.000 0.241 488 D C -1.583 174.568 176.300 -0.247 0.000 1.277 488 D CA -1.754 52.130 54.000 -0.193 0.000 0.918 488 D CB 1.988 42.758 40.800 -0.049 0.000 1.462 488 D HN -0.033 nan 8.370 nan 0.000 0.559 489 P HA -0.015 nan 4.420 nan 0.000 0.226 489 P C 0.077 177.393 177.300 0.028 0.000 1.153 489 P CA 0.295 63.218 63.100 -0.296 0.000 0.777 489 P CB 0.257 31.465 31.700 -0.820 0.000 0.794 490 N N 1.346 120.027 118.700 -0.030 0.000 2.518 490 N HA 0.022 4.767 4.740 0.008 0.000 0.266 490 N C -0.067 175.513 175.510 0.117 0.000 1.196 490 N CA 0.331 53.460 53.050 0.131 0.000 0.947 490 N CB 0.315 38.872 38.487 0.116 0.000 1.098 490 N HN -0.010 nan 8.380 nan 0.000 0.450 491 D N 1.490 121.977 120.400 0.145 0.000 2.295 491 D HA 0.215 4.860 4.640 0.008 0.000 0.248 491 D C -1.568 174.777 176.300 0.076 0.000 1.154 491 D CA -1.964 52.092 54.000 0.093 0.000 0.857 491 D CB 1.287 42.138 40.800 0.085 0.000 1.117 491 D HN 0.223 nan 8.370 nan 0.000 0.468 492 P HA -0.043 nan 4.420 nan 0.000 0.217 492 P C 0.697 178.023 177.300 0.044 0.000 1.150 492 P CA 0.631 63.759 63.100 0.047 0.000 0.832 492 P CB 0.221 31.941 31.700 0.034 0.000 0.787 493 R N 0.410 120.934 120.500 0.039 0.000 3.907 493 R HA 0.066 4.411 4.340 0.008 0.000 0.241 493 R C -0.534 175.789 176.300 0.039 0.000 1.784 493 R CA 0.198 56.319 56.100 0.034 0.000 1.509 493 R CB -0.924 29.392 30.300 0.027 0.000 1.275 493 R HN -0.029 nan 8.270 nan 0.000 0.642 494 D N -0.820 119.609 120.400 0.049 0.000 3.198 494 D HA -0.044 4.601 4.640 0.008 0.000 0.237 494 D C 0.226 176.567 176.300 0.067 0.000 1.468 494 D CA -0.104 53.929 54.000 0.055 0.000 0.948 494 D CB 0.074 40.910 40.800 0.060 0.000 1.479 494 D HN 0.108 nan 8.370 nan 0.000 0.611 495 S N -0.234 115.501 115.700 0.058 0.000 2.561 495 S HA 0.052 4.527 4.470 0.008 0.000 0.225 495 S C 2.109 176.746 174.600 0.061 0.000 0.977 495 S CA 0.803 59.040 58.200 0.062 0.000 0.926 495 S CB 0.180 63.412 63.200 0.052 0.000 0.769 495 S HN 0.439 nan 8.310 nan 0.000 0.533 496 K N 2.046 122.479 120.400 0.055 0.000 2.001 496 K HA 0.210 4.535 4.320 0.008 0.000 0.208 496 K C 1.312 177.948 176.600 0.060 0.000 1.048 496 K CA 1.320 57.637 56.287 0.050 0.000 0.932 496 K CB -1.360 31.165 32.500 0.042 0.000 0.715 496 K HN 0.438 nan 8.250 nan 0.000 0.437 497 S N 2.142 117.886 115.700 0.073 0.000 2.558 497 S HA 0.231 4.706 4.470 0.008 0.000 0.291 497 S C -2.273 172.390 174.600 0.104 0.000 1.306 497 S CA -0.860 57.395 58.200 0.093 0.000 1.056 497 S CB 0.770 64.042 63.200 0.120 0.000 0.836 497 S HN 0.373 nan 8.310 nan 0.000 0.504 498 P HA 0.049 nan 4.420 nan 0.000 0.266 498 P C -0.408 176.970 177.300 0.129 0.000 1.193 498 P CA -0.035 63.118 63.100 0.090 0.000 0.770 498 P CB 0.390 32.126 31.700 0.061 0.000 0.836 499 Q N 1.027 120.905 119.800 0.130 0.000 2.230 499 Q HA 0.216 4.560 4.340 0.008 0.000 0.248 499 Q C -0.715 175.428 176.000 0.238 0.000 0.915 499 Q CA -0.083 55.831 55.803 0.185 0.000 0.900 499 Q CB 1.003 29.839 28.738 0.163 0.000 1.229 499 Q HN 0.551 nan 8.270 nan 0.000 0.439 500 W N 5.660 127.002 121.300 0.071 0.000 2.317 500 W HA 0.350 5.015 4.660 0.008 0.000 0.327 500 W C -2.502 174.149 176.519 0.221 0.000 1.036 500 W CA -2.559 54.839 57.345 0.088 0.000 1.419 500 W CB 0.468 29.909 29.460 -0.031 0.000 1.253 500 W HN 0.373 nan 8.180 nan 0.000 0.392 501 P HA 0.286 nan 4.420 nan 0.000 0.277 501 P C -2.581 174.935 177.300 0.360 0.000 1.240 501 P CA -1.681 61.642 63.100 0.372 0.000 0.798 501 P CB 0.503 32.333 31.700 0.217 0.000 0.979 502 P HA 0.062 nan 4.420 nan 0.000 0.269 502 P C -0.692 176.603 177.300 -0.008 0.000 1.209 502 P CA 0.093 63.008 63.100 -0.309 0.000 0.776 502 P CB 0.089 31.574 31.700 -0.358 0.000 0.876 503 Y N 2.687 122.935 120.300 -0.087 0.000 2.359 503 Y HA 0.358 4.916 4.550 0.014 0.000 0.330 503 Y C 0.421 176.311 175.900 -0.017 0.000 1.143 503 Y CA 0.729 58.840 58.100 0.020 0.000 1.318 503 Y CB 0.401 38.889 38.460 0.047 0.000 1.234 503 Y HN 0.419 nan 8.280 nan 0.000 0.522 504 T N -0.032 114.238 114.554 -0.473 0.000 2.896 504 T HA 0.232 4.587 4.350 0.008 0.000 0.297 504 T C 0.796 175.254 174.700 -0.404 0.000 1.108 504 T CA -0.237 61.693 62.100 -0.283 0.000 1.004 504 T CB 1.221 69.997 68.868 -0.152 0.000 1.159 504 T HN 0.643 nan 8.240 nan 0.000 0.499 505 T N -0.860 113.597 114.554 -0.161 0.000 2.867 505 T HA 0.022 4.377 4.350 0.008 0.000 0.268 505 T C 2.232 176.869 174.700 -0.105 0.000 1.057 505 T CA 0.983 63.023 62.100 -0.101 0.000 1.136 505 T CB -0.767 68.099 68.868 -0.003 0.000 0.874 505 T HN 0.865 nan 8.240 nan 0.000 0.466 506 A N 1.670 124.434 122.820 -0.094 0.000 1.872 506 A HA 0.528 4.853 4.320 0.008 0.000 0.214 506 A C 2.637 180.176 177.584 -0.076 0.000 1.187 506 A CA 1.558 53.557 52.037 -0.062 0.000 0.614 506 A CB -1.073 17.902 19.000 -0.041 0.000 0.826 506 A HN 0.741 nan 8.150 nan 0.000 0.442 507 A N -2.275 120.475 122.820 -0.117 0.000 2.140 507 A HA 0.312 4.637 4.320 0.008 0.000 0.209 507 A C 0.875 178.385 177.584 -0.123 0.000 1.181 507 A CA 0.798 52.782 52.037 -0.089 0.000 0.824 507 A CB -0.160 18.805 19.000 -0.058 0.000 0.879 507 A HN 0.524 nan 8.150 nan 0.000 0.480 508 Q N -0.032 119.570 119.800 -0.330 0.000 2.453 508 Q HA -0.226 4.119 4.340 0.008 0.000 0.294 508 Q C -0.714 175.285 176.000 -0.002 0.000 1.295 508 Q CA 0.688 56.201 55.803 -0.483 0.000 0.853 508 Q CB -1.886 26.784 28.738 -0.114 0.000 1.193 508 Q HN 0.832 nan 8.270 nan 0.000 0.461 509 Q N 0.438 120.246 119.800 0.013 0.000 2.288 509 Q HA 0.472 4.816 4.340 0.008 0.000 0.254 509 Q C -0.375 175.915 176.000 0.482 0.000 0.932 509 Q CA -0.007 55.916 55.803 0.199 0.000 0.902 509 Q CB 0.555 29.355 28.738 0.103 0.000 1.203 509 Q HN 0.356 nan 8.270 nan 0.000 0.415 510 Y N -1.633 118.807 120.300 0.234 0.000 2.655 510 Y HA 0.721 5.281 4.550 0.016 0.000 0.336 510 Y C -1.056 174.868 175.900 0.040 0.000 1.154 510 Y CA -1.582 56.656 58.100 0.231 0.000 1.055 510 Y CB 0.474 39.069 38.460 0.225 0.000 1.295 510 Y HN 0.351 nan 8.280 nan 0.000 0.465 511 V N -0.402 119.437 119.914 -0.124 0.000 2.769 511 V HA 0.835 4.960 4.120 0.008 0.000 0.312 511 V C -0.158 175.846 176.094 -0.150 0.000 1.058 511 V CA -0.611 61.463 62.300 -0.376 0.000 0.952 511 V CB 1.266 32.611 31.823 -0.796 0.000 1.019 511 V HN 1.162 nan 8.190 nan 0.000 0.445 512 S N 3.628 119.239 115.700 -0.148 0.000 2.513 512 S HA 0.675 5.150 4.470 0.008 0.000 0.276 512 S C -0.440 174.135 174.600 -0.042 0.000 1.254 512 S CA -0.656 57.534 58.200 -0.017 0.000 1.053 512 S CB 0.520 63.699 63.200 -0.034 0.000 0.958 512 S HN 0.743 nan 8.310 nan 0.000 0.491 513 L N 4.196 125.448 121.223 0.048 0.000 2.264 513 L HA 0.505 4.850 4.340 0.008 0.000 0.287 513 L C -0.185 176.639 176.870 -0.077 0.000 1.039 513 L CA -0.435 54.467 54.840 0.103 0.000 0.829 513 L CB -0.064 42.146 42.059 0.252 0.000 1.211 513 L HN 0.932 nan 8.230 nan 0.000 0.427 514 N N 2.095 120.677 118.700 -0.197 0.000 3.439 514 N HA 0.341 5.086 4.740 0.008 0.000 0.313 514 N C 0.248 175.249 175.510 -0.847 0.000 1.598 514 N CA -0.979 51.664 53.050 -0.678 0.000 0.830 514 N CB 0.609 38.860 38.487 -0.393 0.000 1.849 514 N HN 0.181 nan 8.380 nan 0.000 0.598 515 L N -0.940 119.780 121.223 -0.838 0.000 2.275 515 L HA 0.062 4.406 4.340 0.008 0.000 0.215 515 L C 0.499 177.210 176.870 -0.266 0.000 1.119 515 L CA 1.015 55.493 54.840 -0.604 0.000 0.790 515 L CB -0.570 41.199 42.059 -0.483 0.000 0.919 515 L HN 0.399 nan 8.230 nan 0.000 0.443 516 K N 0.027 120.304 120.400 -0.205 0.000 2.107 516 K HA 0.292 4.617 4.320 0.008 0.000 0.251 516 K C -2.206 174.365 176.600 -0.049 0.000 1.012 516 K CA -1.876 54.350 56.287 -0.101 0.000 0.920 516 K CB 0.034 32.481 32.500 -0.088 0.000 1.033 516 K HN -0.217 nan 8.250 nan 0.000 0.478 517 P HA -0.007 nan 4.420 nan 0.000 0.270 517 P C -0.449 176.859 177.300 0.013 0.000 1.223 517 P CA -0.202 62.914 63.100 0.027 0.000 0.785 517 P CB 0.387 32.103 31.700 0.027 0.000 0.923 518 L N 1.484 122.731 121.223 0.040 0.000 2.678 518 L HA -0.091 4.254 4.340 0.008 0.000 0.285 518 L C 1.106 177.940 176.870 -0.061 0.000 1.233 518 L CA 0.928 55.747 54.840 -0.034 0.000 0.920 518 L CB -0.304 41.725 42.059 -0.050 0.000 1.176 518 L HN 0.505 nan 8.230 nan 0.000 0.495 519 E N 3.343 123.481 120.200 -0.103 0.000 2.187 519 E HA 0.396 4.751 4.350 0.008 0.000 0.268 519 E C -1.299 175.202 176.600 -0.166 0.000 0.896 519 E CA -0.808 55.530 56.400 -0.104 0.000 0.766 519 E CB 1.944 31.593 29.700 -0.085 0.000 1.142 519 E HN 0.303 nan 8.360 nan 0.000 0.408 520 V N 5.161 124.989 119.914 -0.143 0.000 2.498 520 V HA 0.385 4.510 4.120 0.008 0.000 0.279 520 V C 0.348 176.301 176.094 -0.235 0.000 1.048 520 V CA -0.174 62.019 62.300 -0.180 0.000 0.967 520 V CB 0.909 32.682 31.823 -0.082 0.000 0.988 520 V HN 0.692 nan 8.190 nan 0.000 0.473 521 R N 4.111 124.344 120.500 -0.445 0.000 2.912 521 R HA 0.745 5.090 4.340 0.008 0.000 0.262 521 R C -0.895 175.203 176.300 -0.338 0.000 1.057 521 R CA -1.079 54.742 56.100 -0.465 0.000 0.981 521 R CB 2.381 32.269 30.300 -0.687 0.000 1.201 521 R HN 0.560 nan 8.270 nan 0.000 0.484 522 R N 0.030 120.512 120.500 -0.030 0.000 2.561 522 R HA 0.456 4.801 4.340 0.008 0.000 0.297 522 R C -0.741 175.754 176.300 0.324 0.000 0.969 522 R CA -0.535 55.658 56.100 0.155 0.000 0.879 522 R CB 2.201 32.545 30.300 0.072 0.000 1.178 522 R HN 0.917 nan 8.270 nan 0.000 0.445 523 G N 2.411 111.440 108.800 0.381 0.000 3.450 523 G HA2 -0.210 3.755 3.960 0.008 0.000 0.668 523 G HA3 -0.210 3.755 3.960 0.008 0.000 0.668 523 G C -1.084 173.989 174.900 0.288 0.000 0.941 523 G CA -0.920 44.358 45.100 0.296 0.000 0.766 523 G HN 0.335 nan 8.290 nan 0.000 0.451 524 L N 4.417 125.711 121.223 0.119 0.000 2.282 524 L HA 0.489 4.834 4.340 0.008 0.000 0.287 524 L C 1.644 178.527 176.870 0.021 0.000 1.075 524 L CA -0.448 54.314 54.840 -0.131 0.000 0.839 524 L CB 0.018 41.917 42.059 -0.267 0.000 1.219 524 L HN 0.705 nan 8.230 nan 0.000 0.434 525 R N 2.995 123.541 120.500 0.077 0.000 3.184 525 R HA -0.284 4.061 4.340 0.008 0.000 0.242 525 R C 1.344 177.737 176.300 0.155 0.000 0.907 525 R CA 0.694 56.877 56.100 0.137 0.000 0.618 525 R CB -2.062 28.334 30.300 0.159 0.000 1.016 525 R HN 0.746 nan 8.270 nan 0.000 0.469 526 A N 0.669 123.576 122.820 0.146 0.000 1.883 526 A HA -0.253 4.072 4.320 0.008 0.000 0.217 526 A C 2.105 179.777 177.584 0.146 0.000 1.186 526 A CA 1.295 53.418 52.037 0.143 0.000 0.624 526 A CB -0.092 18.988 19.000 0.132 0.000 0.822 526 A HN 0.401 nan 8.150 nan 0.000 0.444 527 Q N -0.782 119.104 119.800 0.143 0.000 2.046 527 Q HA -0.099 4.246 4.340 0.008 0.000 0.200 527 Q C 2.276 178.388 176.000 0.187 0.000 0.975 527 Q CA 2.050 57.940 55.803 0.143 0.000 0.836 527 Q CB -1.197 27.613 28.738 0.120 0.000 0.896 527 Q HN 0.648 nan 8.270 nan 0.000 0.428 528 T N 0.659 115.347 114.554 0.225 0.000 2.788 528 T HA -0.124 4.231 4.350 0.008 0.000 0.268 528 T C 2.014 176.927 174.700 0.354 0.000 1.044 528 T CA 1.191 63.450 62.100 0.264 0.000 1.139 528 T CB -0.271 68.808 68.868 0.351 0.000 0.867 528 T HN 0.316 nan 8.240 nan 0.000 0.454 529 c N 1.528 120.326 118.600 0.329 0.000 2.448 529 c HA 0.230 4.805 4.570 0.008 0.000 0.280 529 c C 3.112 177.359 174.090 0.262 0.000 1.398 529 c CA -0.004 56.530 56.329 0.341 0.000 1.774 529 c CB -1.407 41.237 42.510 0.224 0.000 1.888 529 c HN 0.639 nan 8.230 nan 0.000 0.519 530 A N 0.249 123.190 122.820 0.201 0.000 1.933 530 A HA -0.181 4.144 4.320 0.008 0.000 0.218 530 A C 1.860 179.535 177.584 0.152 0.000 1.175 530 A CA 1.595 53.725 52.037 0.155 0.000 0.628 530 A CB -0.760 18.316 19.000 0.127 0.000 0.814 530 A HN 0.565 nan 8.150 nan 0.000 0.444 531 F N -0.724 119.209 119.950 -0.027 0.000 2.051 531 F HA -0.185 4.346 4.527 0.007 0.000 0.296 531 F C 1.998 177.737 175.800 -0.101 0.000 1.122 531 F CA 1.884 59.792 58.000 -0.153 0.000 1.201 531 F CB -0.609 38.062 39.000 -0.549 0.000 0.978 531 F HN 0.366 nan 8.300 nan 0.000 0.472 532 W N 0.725 122.004 121.300 -0.035 0.000 2.358 532 W HA -0.182 4.481 4.660 0.005 0.000 0.303 532 W C 2.202 178.658 176.519 -0.105 0.000 1.208 532 W CA 1.216 58.492 57.345 -0.115 0.000 1.274 532 W CB -0.598 28.935 29.460 0.121 0.000 1.138 532 W HN 0.020 nan 8.180 nan 0.000 0.515 533 N N -0.708 118.103 118.700 0.185 0.000 2.409 533 N HA 0.037 4.782 4.740 0.008 0.000 0.174 533 N C 1.524 177.062 175.510 0.047 0.000 1.037 533 N CA 0.886 54.002 53.050 0.110 0.000 0.898 533 N CB -0.227 38.328 38.487 0.112 0.000 1.010 533 N HN 0.214 nan 8.380 nan 0.000 0.445 534 R N -1.241 119.286 120.500 0.044 0.000 2.140 534 R HA 0.230 4.574 4.340 0.008 0.000 0.200 534 R C 1.395 177.709 176.300 0.023 0.000 1.069 534 R CA 0.168 56.293 56.100 0.042 0.000 1.088 534 R CB -0.136 30.212 30.300 0.079 0.000 1.012 534 R HN 0.064 nan 8.270 nan 0.000 0.500 535 F N 1.450 121.299 119.950 -0.169 0.000 2.220 535 F HA 0.109 4.641 4.527 0.008 0.000 0.290 535 F C 1.944 177.562 175.800 -0.303 0.000 1.080 535 F CA 0.709 58.582 58.000 -0.212 0.000 1.318 535 F CB -0.209 38.678 39.000 -0.188 0.000 1.063 535 F HN -0.141 nan 8.300 nan 0.000 0.498 536 L N 0.915 121.790 121.223 -0.580 0.000 1.997 536 L HA -0.205 4.140 4.340 0.008 0.000 0.216 536 L C -0.573 176.054 176.870 -0.404 0.000 1.074 536 L CA 2.184 56.661 54.840 -0.603 0.000 0.763 536 L CB -1.758 39.993 42.059 -0.514 0.000 0.890 536 L HN 0.103 nan 8.230 nan 0.000 0.434 537 P HA -0.208 nan 4.420 nan 0.000 0.215 537 P C 1.293 178.459 177.300 -0.224 0.000 1.157 537 P CA 1.694 64.687 63.100 -0.178 0.000 0.874 537 P CB -0.034 31.600 31.700 -0.110 0.000 0.790 538 K N -1.132 119.096 120.400 -0.286 0.000 2.147 538 K HA -0.137 4.188 4.320 0.008 0.000 0.205 538 K C 1.974 178.359 176.600 -0.358 0.000 1.049 538 K CA 0.971 57.088 56.287 -0.282 0.000 0.936 538 K CB -0.791 31.555 32.500 -0.256 0.000 0.722 538 K HN 0.063 nan 8.250 nan 0.000 0.446 539 L N 1.275 122.154 121.223 -0.572 0.000 2.109 539 L HA -0.101 4.243 4.340 0.008 0.000 0.207 539 L C 1.713 178.430 176.870 -0.256 0.000 1.086 539 L CA 1.470 56.014 54.840 -0.494 0.000 0.760 539 L CB -0.323 41.334 42.059 -0.671 0.000 0.910 539 L HN 0.091 nan 8.230 nan 0.000 0.437 540 L N -3.144 117.945 121.223 -0.223 0.000 2.313 540 L HA 0.166 4.511 4.340 0.008 0.000 0.214 540 L C 2.178 178.987 176.870 -0.101 0.000 1.119 540 L CA 1.309 56.069 54.840 -0.132 0.000 0.809 540 L CB -1.885 40.111 42.059 -0.105 0.000 0.933 540 L HN 0.005 nan 8.230 nan 0.000 0.449 541 S N 0.811 116.444 115.700 -0.112 0.000 2.359 541 S HA 0.022 4.496 4.470 0.008 0.000 0.224 541 S C 1.483 176.040 174.600 -0.072 0.000 1.035 541 S CA 0.946 59.096 58.200 -0.083 0.000 1.018 541 S CB -0.619 62.531 63.200 -0.084 0.000 0.876 541 S HN 0.668 nan 8.310 nan 0.000 0.448 542 A N 0.000 122.769 122.820 -0.086 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 542 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486