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 1j06_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N 0.019 108.832 108.800 0.020 0.000 4.020 2 G HA2 -0.163 3.802 3.960 0.009 0.000 0.195 2 G HA3 -0.163 3.802 3.960 0.009 0.000 0.195 2 G C 0.855 175.766 174.900 0.017 0.000 1.819 2 G CA 0.167 45.276 45.100 0.016 0.000 1.109 2 G HN 0.260 nan 8.290 nan 0.000 0.385 3 R N 1.479 121.989 120.500 0.017 0.000 2.334 3 R HA 0.433 4.778 4.340 0.009 0.000 0.212 3 R C 0.730 177.043 176.300 0.022 0.000 0.897 3 R CA 0.209 56.319 56.100 0.017 0.000 1.056 3 R CB 0.245 30.553 30.300 0.013 0.000 1.046 3 R HN 0.557 nan 8.270 nan 0.000 0.513 4 E N 0.857 121.073 120.200 0.026 0.000 2.409 4 E HA -0.045 4.310 4.350 0.009 0.000 0.257 4 E C -0.467 176.158 176.600 0.042 0.000 1.150 4 E CA -0.155 56.264 56.400 0.032 0.000 0.942 4 E CB 0.389 30.112 29.700 0.037 0.000 0.979 4 E HN -0.008 nan 8.360 nan 0.000 0.447 5 D N 2.503 122.935 120.400 0.054 0.000 2.363 5 D HA -0.017 4.629 4.640 0.009 0.000 0.263 5 D C -1.500 174.843 176.300 0.072 0.000 1.258 5 D CA -1.759 52.287 54.000 0.077 0.000 0.907 5 D CB 0.807 41.677 40.800 0.117 0.000 1.107 5 D HN 0.145 nan 8.370 nan 0.000 0.495 6 P HA -0.175 nan 4.420 nan 0.000 0.222 6 P C 0.935 178.251 177.300 0.027 0.000 1.142 6 P CA 0.783 63.902 63.100 0.032 0.000 0.788 6 P CB 0.478 32.186 31.700 0.014 0.000 0.767 7 Q N -0.775 119.035 119.800 0.018 0.000 2.451 7 Q HA 0.129 4.474 4.340 0.009 0.000 0.206 7 Q C 1.726 177.798 176.000 0.120 0.000 0.947 7 Q CA 0.523 56.313 55.803 -0.022 0.000 0.937 7 Q CB 0.019 28.593 28.738 -0.273 0.000 1.025 7 Q HN 0.424 nan 8.270 nan 0.000 0.511 8 L N 0.217 121.534 121.223 0.158 0.000 2.769 8 L HA 0.263 4.609 4.340 0.009 0.000 0.240 8 L C -0.026 177.032 176.870 0.312 0.000 1.163 8 L CA 0.013 54.989 54.840 0.227 0.000 0.962 8 L CB 0.365 42.480 42.059 0.093 0.000 1.258 8 L HN -0.077 nan 8.230 nan 0.000 0.513 9 L N 0.581 121.931 121.223 0.212 0.000 2.305 9 L HA 0.619 4.965 4.340 0.009 0.000 0.284 9 L C -0.713 176.201 176.870 0.073 0.000 1.013 9 L CA -0.482 54.452 54.840 0.157 0.000 0.819 9 L CB 2.091 44.204 42.059 0.089 0.000 1.227 9 L HN -0.234 nan 8.230 nan 0.000 0.417 10 V N 3.124 123.051 119.914 0.022 0.000 3.007 10 V HA 0.523 4.648 4.120 0.009 0.000 0.311 10 V C -0.611 175.397 176.094 -0.144 0.000 1.120 10 V CA -0.745 61.432 62.300 -0.204 0.000 0.980 10 V CB 3.058 34.502 31.823 -0.631 0.000 1.033 10 V HN 0.746 nan 8.190 nan 0.000 0.429 11 R N 2.218 122.602 120.500 -0.194 0.000 2.514 11 R HA 0.843 5.188 4.340 0.009 0.000 0.301 11 R C -1.073 175.132 176.300 -0.159 0.000 0.962 11 R CA -0.340 55.692 56.100 -0.113 0.000 0.882 11 R CB 1.889 32.128 30.300 -0.101 0.000 1.143 11 R HN 0.691 nan 8.270 nan 0.000 0.452 12 V N 1.698 121.581 119.914 -0.051 0.000 3.113 12 V HA 0.501 4.626 4.120 0.009 0.000 0.316 12 V C 1.110 177.143 176.094 -0.102 0.000 1.125 12 V CA -1.047 61.221 62.300 -0.053 0.000 1.026 12 V CB 1.705 33.649 31.823 0.201 0.000 1.080 12 V HN 0.881 nan 8.190 nan 0.000 0.444 13 R N 1.685 122.107 120.500 -0.131 0.000 2.174 13 R HA -0.081 4.265 4.340 0.009 0.000 0.253 13 R C 1.656 177.838 176.300 -0.196 0.000 1.165 13 R CA 2.547 58.565 56.100 -0.137 0.000 0.984 13 R CB -1.057 29.177 30.300 -0.109 0.000 0.873 13 R HN 1.074 nan 8.270 nan 0.000 0.456 14 G N -2.204 106.438 108.800 -0.263 0.000 2.986 14 G HA2 0.435 4.400 3.960 0.009 0.000 0.213 14 G HA3 0.435 4.400 3.960 0.009 0.000 0.213 14 G C 0.251 174.238 174.900 -1.521 0.000 1.156 14 G CA 0.241 44.926 45.100 -0.692 0.000 0.763 14 G HN 0.713 nan 8.290 nan 0.000 0.547 15 G N -1.005 107.194 108.800 -1.001 0.000 2.352 15 G HA2 0.223 4.188 3.960 0.009 0.000 0.283 15 G HA3 0.223 4.188 3.960 0.009 0.000 0.283 15 G C -1.412 173.457 174.900 -0.052 0.000 1.308 15 G CA -0.969 43.623 45.100 -0.847 0.000 0.892 15 G HN 0.212 nan 8.290 nan 0.000 0.504 16 Q N -0.442 119.484 119.800 0.210 0.000 2.235 16 Q HA 0.696 5.041 4.340 0.009 0.000 0.250 16 Q C -0.497 175.780 176.000 0.462 0.000 0.909 16 Q CA -0.250 55.719 55.803 0.276 0.000 0.910 16 Q CB 1.802 30.644 28.738 0.174 0.000 1.223 16 Q HN 0.437 nan 8.270 nan 0.000 0.432 17 L N 1.548 122.966 121.223 0.325 0.000 2.354 17 L HA 0.629 4.974 4.340 0.009 0.000 0.264 17 L C -0.491 176.563 176.870 0.308 0.000 1.008 17 L CA -0.821 54.219 54.840 0.334 0.000 0.819 17 L CB 2.188 44.480 42.059 0.388 0.000 1.339 17 L HN 0.449 nan 8.230 nan 0.000 0.420 18 R N 0.663 121.328 120.500 0.275 0.000 2.409 18 R HA 0.609 4.955 4.340 0.009 0.000 0.313 18 R C -0.281 176.126 176.300 0.178 0.000 0.953 18 R CA -0.322 55.914 56.100 0.227 0.000 0.849 18 R CB 1.591 31.959 30.300 0.113 0.000 1.171 18 R HN 0.822 nan 8.270 nan 0.000 0.458 19 G N 3.322 112.185 108.800 0.104 0.000 2.531 19 G HA2 0.439 4.404 3.960 0.009 0.000 0.281 19 G HA3 0.439 4.404 3.960 0.009 0.000 0.281 19 G C -0.882 173.806 174.900 -0.353 0.000 1.382 19 G CA -0.677 44.116 45.100 -0.511 0.000 1.045 19 G HN 0.584 nan 8.290 nan 0.000 0.533 20 I N -1.016 119.291 120.570 -0.437 0.000 2.647 20 I HA 0.517 4.693 4.170 0.009 0.000 0.295 20 I C -0.241 175.744 176.117 -0.221 0.000 1.078 20 I CA -1.163 59.984 61.300 -0.254 0.000 1.048 20 I CB 2.165 40.027 38.000 -0.229 0.000 1.239 20 I HN 0.449 nan 8.210 nan 0.000 0.421 21 R N 7.621 128.035 120.500 -0.145 0.000 2.216 21 R HA 0.532 4.878 4.340 0.009 0.000 0.332 21 R C -1.686 174.507 176.300 -0.178 0.000 1.056 21 R CA -0.343 55.654 56.100 -0.172 0.000 0.901 21 R CB 0.537 30.693 30.300 -0.239 0.000 1.039 21 R HN 0.640 nan 8.270 nan 0.000 0.456 22 L N 3.412 124.546 121.223 -0.149 0.000 2.334 22 L HA 0.456 4.802 4.340 0.009 0.000 0.272 22 L C 0.136 176.931 176.870 -0.124 0.000 1.020 22 L CA -1.151 53.622 54.840 -0.112 0.000 0.812 22 L CB 1.663 43.692 42.059 -0.050 0.000 1.264 22 L HN 0.396 nan 8.230 nan 0.000 0.439 23 K N 1.920 122.256 120.400 -0.107 0.000 2.258 23 K HA 0.632 4.957 4.320 0.009 0.000 0.284 23 K C -0.740 175.799 176.600 -0.100 0.000 1.051 23 K CA -0.111 56.117 56.287 -0.097 0.000 0.923 23 K CB 1.517 33.974 32.500 -0.072 0.000 1.046 23 K HN 0.711 nan 8.250 nan 0.000 0.474 24 A N 5.321 128.085 122.820 -0.093 0.000 2.354 24 A HA 0.564 4.890 4.320 0.009 0.000 0.321 24 A C -1.934 175.651 177.584 0.000 0.000 1.125 24 A CA -1.590 50.385 52.037 -0.103 0.000 0.799 24 A CB 1.030 19.947 19.000 -0.139 0.000 1.293 24 A HN 0.410 nan 8.150 nan 0.000 0.452 25 P HA -0.184 nan 4.420 nan 0.000 0.217 25 P C 1.358 178.687 177.300 0.047 0.000 1.158 25 P CA 2.376 65.526 63.100 0.083 0.000 0.887 25 P CB 0.219 31.997 31.700 0.131 0.000 0.792 26 G N -2.413 106.417 108.800 0.050 0.000 2.985 26 G HA2 0.432 4.397 3.960 0.009 0.000 0.209 26 G HA3 0.432 4.397 3.960 0.009 0.000 0.209 26 G C 0.530 175.443 174.900 0.021 0.000 1.165 26 G CA 0.482 45.602 45.100 0.034 0.000 0.776 26 G HN 0.640 nan 8.290 nan 0.000 0.541 27 G N -0.527 108.277 108.800 0.005 0.000 2.369 27 G HA2 0.341 4.306 3.960 0.009 0.000 0.293 27 G HA3 0.341 4.306 3.960 0.009 0.000 0.293 27 G C -3.407 171.468 174.900 -0.042 0.000 1.301 27 G CA -0.602 44.492 45.100 -0.009 0.000 0.913 27 G HN 0.068 nan 8.290 nan 0.000 0.540 28 P HA 0.593 nan 4.420 nan 0.000 0.279 28 P C -0.155 177.118 177.300 -0.044 0.000 1.252 28 P CA -0.355 62.647 63.100 -0.164 0.000 0.811 28 P CB 1.812 33.251 31.700 -0.435 0.000 1.035 29 V N -2.089 117.806 119.914 -0.032 0.000 3.078 29 V HA 0.691 4.817 4.120 0.009 0.000 0.311 29 V C -0.506 175.673 176.094 0.142 0.000 1.138 29 V CA -0.900 61.472 62.300 0.121 0.000 1.007 29 V CB 1.734 33.631 31.823 0.123 0.000 1.045 29 V HN 0.453 nan 8.190 nan 0.000 0.432 30 S N 1.576 117.421 115.700 0.241 0.000 2.462 30 S HA 0.884 5.360 4.470 0.009 0.000 0.294 30 S C -0.021 174.566 174.600 -0.022 0.000 1.144 30 S CA -0.012 58.268 58.200 0.133 0.000 1.088 30 S CB 1.298 64.662 63.200 0.272 0.000 1.009 30 S HN 1.579 nan 8.310 nan 0.000 0.484 31 A N 2.526 125.143 122.820 -0.339 0.000 2.371 31 A HA 0.821 5.147 4.320 0.009 0.000 0.311 31 A C -1.284 175.839 177.584 -0.768 0.000 1.068 31 A CA -0.629 51.101 52.037 -0.512 0.000 0.744 31 A CB 0.538 19.216 19.000 -0.537 0.000 1.239 31 A HN 0.691 nan 8.150 nan 0.000 0.435 32 F N 2.591 122.360 119.950 -0.301 0.000 2.434 32 F HA 0.463 4.995 4.527 0.009 0.000 0.367 32 F C -0.230 175.379 175.800 -0.318 0.000 1.093 32 F CA -0.246 57.655 58.000 -0.166 0.000 1.085 32 F CB 1.302 40.344 39.000 0.071 0.000 1.322 32 F HN 0.353 nan 8.300 nan 0.000 0.452 33 L N 2.111 123.167 121.223 -0.278 0.000 2.325 33 L HA 0.729 5.075 4.340 0.009 0.000 0.278 33 L C 0.930 177.692 176.870 -0.179 0.000 1.023 33 L CA -0.960 53.667 54.840 -0.354 0.000 0.811 33 L CB 1.634 43.276 42.059 -0.695 0.000 1.249 33 L HN 0.802 nan 8.230 nan 0.000 0.431 34 G N 2.887 111.642 108.800 -0.077 0.000 2.212 34 G HA2 -0.246 3.720 3.960 0.009 0.000 0.255 34 G HA3 -0.246 3.720 3.960 0.009 0.000 0.255 34 G C -0.143 174.803 174.900 0.076 0.000 1.062 34 G CA -0.400 44.676 45.100 -0.040 0.000 0.815 34 G HN 0.476 nan 8.290 nan 0.000 0.497 35 I N 2.305 122.922 120.570 0.079 0.000 2.396 35 I HA 0.224 4.400 4.170 0.009 0.000 0.289 35 I C -1.379 174.783 176.117 0.075 0.000 1.056 35 I CA -2.080 59.244 61.300 0.040 0.000 1.365 35 I CB 0.988 38.959 38.000 -0.050 0.000 1.407 35 I HN -0.013 nan 8.210 nan 0.000 0.509 36 P HA 0.022 nan 4.420 nan 0.000 0.276 36 P C -0.254 176.982 177.300 -0.106 0.000 1.235 36 P CA 0.061 63.007 63.100 -0.257 0.000 0.772 36 P CB 0.519 32.074 31.700 -0.242 0.000 0.871 37 F N 1.101 120.898 119.950 -0.255 0.000 2.706 37 F HA 0.732 5.264 4.527 0.010 0.000 0.313 37 F C 0.036 175.827 175.800 -0.016 0.000 1.096 37 F CA -0.772 57.150 58.000 -0.131 0.000 1.219 37 F CB 0.215 39.046 39.000 -0.282 0.000 1.051 37 F HN 0.348 nan 8.300 nan 0.000 0.568 38 A N -0.022 122.539 122.820 -0.433 0.000 2.594 38 A HA 0.602 4.928 4.320 0.009 0.000 0.291 38 A C -0.981 176.446 177.584 -0.261 0.000 1.105 38 A CA -0.780 51.089 52.037 -0.281 0.000 0.694 38 A CB 1.071 19.822 19.000 -0.415 0.000 1.291 38 A HN 0.057 nan 8.150 nan 0.000 0.410 39 E N 0.936 121.055 120.200 -0.134 0.000 2.354 39 E HA 0.296 4.652 4.350 0.009 0.000 0.269 39 E C -2.354 174.150 176.600 -0.160 0.000 1.036 39 E CA -1.483 54.853 56.400 -0.106 0.000 0.876 39 E CB 0.290 29.967 29.700 -0.040 0.000 1.009 39 E HN 0.226 nan 8.360 nan 0.000 0.416 40 P HA -0.029 nan 4.420 nan 0.000 0.255 40 P C -2.189 175.046 177.300 -0.108 0.000 1.173 40 P CA -0.501 62.515 63.100 -0.139 0.000 0.780 40 P CB -0.067 31.588 31.700 -0.075 0.000 0.758 41 P HA -0.000 nan 4.420 nan 0.000 0.225 41 P C -0.193 177.049 177.300 -0.095 0.000 1.768 41 P CA 0.128 63.172 63.100 -0.094 0.000 0.943 41 P CB -0.106 31.540 31.700 -0.089 0.000 1.936 42 V N -2.602 117.262 119.914 -0.083 0.000 3.093 42 V HA 0.874 5.000 4.120 0.009 0.000 0.320 42 V C 1.054 177.104 176.094 -0.072 0.000 1.093 42 V CA 0.181 62.431 62.300 -0.084 0.000 1.016 42 V CB 0.686 32.468 31.823 -0.068 0.000 1.096 42 V HN 0.533 nan 8.190 nan 0.000 0.452 43 G N 2.457 111.214 108.800 -0.072 0.000 2.629 43 G HA2 -0.362 3.603 3.960 0.009 0.000 0.313 43 G HA3 -0.362 3.603 3.960 0.009 0.000 0.313 43 G C 1.236 176.104 174.900 -0.053 0.000 1.217 43 G CA 1.834 46.902 45.100 -0.053 0.000 0.994 43 G HN 2.355 nan 8.290 nan 0.000 0.549 44 S N 0.544 116.226 115.700 -0.029 0.000 2.537 44 S HA 0.014 4.490 4.470 0.009 0.000 0.240 44 S C 1.901 176.490 174.600 -0.018 0.000 0.981 44 S CA 1.619 59.811 58.200 -0.012 0.000 0.948 44 S CB -0.066 63.135 63.200 0.001 0.000 0.759 44 S HN 0.645 nan 8.310 nan 0.000 0.531 45 R N 0.944 121.418 120.500 -0.043 0.000 2.276 45 R HA 0.215 4.560 4.340 0.009 0.000 0.196 45 R C 0.961 177.205 176.300 -0.094 0.000 0.961 45 R CA -0.129 55.943 56.100 -0.047 0.000 1.024 45 R CB -0.192 30.080 30.300 -0.047 0.000 0.940 45 R HN 0.472 nan 8.270 nan 0.000 0.480 46 R N 0.804 121.194 120.500 -0.184 0.000 2.585 46 R HA -0.123 4.222 4.340 0.009 0.000 0.275 46 R C -0.229 175.798 176.300 -0.456 0.000 1.018 46 R CA 0.555 56.398 56.100 -0.428 0.000 1.072 46 R CB 0.126 30.050 30.300 -0.627 0.000 0.953 46 R HN 0.070 nan 8.270 nan 0.000 0.419 47 F N -0.813 119.136 119.950 -0.002 0.000 2.705 47 F HA -0.292 4.241 4.527 0.009 0.000 0.413 47 F C 0.130 175.911 175.800 -0.033 0.000 0.588 47 F CA 0.558 58.532 58.000 -0.043 0.000 1.187 47 F CB -1.461 37.502 39.000 -0.061 0.000 1.737 47 F HN 0.450 nan 8.300 nan 0.000 0.285 48 M N 1.322 120.976 119.600 0.090 0.000 2.288 48 M HA 0.373 4.858 4.480 0.009 0.000 0.334 48 M C -1.872 174.451 176.300 0.038 0.000 1.150 48 M CA -1.429 53.908 55.300 0.062 0.000 1.118 48 M CB 0.446 33.069 32.600 0.038 0.000 1.501 48 M HN -0.334 nan 8.290 nan 0.000 0.462 49 P HA 0.096 nan 4.420 nan 0.000 0.268 49 P C -2.389 174.938 177.300 0.045 0.000 1.208 49 P CA -0.465 62.666 63.100 0.053 0.000 0.777 49 P CB -0.357 31.383 31.700 0.067 0.000 0.875 50 P HA 0.187 nan 4.420 nan 0.000 0.277 50 P C -0.777 176.557 177.300 0.057 0.000 1.240 50 P CA -0.076 63.050 63.100 0.042 0.000 0.798 50 P CB 1.158 32.900 31.700 0.070 0.000 0.979 51 E N 2.193 122.413 120.200 0.032 0.000 2.195 51 E HA 0.383 4.739 4.350 0.009 0.000 0.271 51 E C -2.369 174.264 176.600 0.055 0.000 0.923 51 E CA -2.405 54.023 56.400 0.047 0.000 0.790 51 E CB 0.867 30.584 29.700 0.030 0.000 1.155 51 E HN 0.323 nan 8.360 nan 0.000 0.402 52 P HA -0.098 nan 4.420 nan 0.000 0.264 52 P C -0.589 176.776 177.300 0.108 0.000 1.183 52 P CA 0.081 63.261 63.100 0.133 0.000 0.763 52 P CB 0.391 32.172 31.700 0.135 0.000 0.807 53 K N 3.936 124.418 120.400 0.137 0.000 2.451 53 K HA 0.023 4.348 4.320 0.009 0.000 0.280 53 K C -0.045 176.657 176.600 0.170 0.000 1.020 53 K CA 0.478 56.848 56.287 0.138 0.000 1.008 53 K CB 0.211 32.831 32.500 0.199 0.000 0.917 53 K HN 0.274 nan 8.250 nan 0.000 0.478 54 R N 4.995 125.579 120.500 0.141 0.000 2.441 54 R HA 0.226 4.572 4.340 0.009 0.000 0.284 54 R C -2.013 174.377 176.300 0.150 0.000 1.070 54 R CA -1.773 54.395 56.100 0.113 0.000 1.047 54 R CB 0.284 30.634 30.300 0.083 0.000 1.016 54 R HN 0.589 nan 8.270 nan 0.000 0.477 55 P HA -0.120 nan 4.420 nan 0.000 0.267 55 P C -1.180 176.123 177.300 0.004 0.000 1.195 55 P CA 0.279 63.294 63.100 -0.142 0.000 0.773 55 P CB 0.318 31.902 31.700 -0.192 0.000 0.837 56 W N 0.593 121.928 121.300 0.058 0.000 2.850 56 W HA 0.715 5.380 4.660 0.009 0.000 0.349 56 W C -0.856 175.690 176.519 0.044 0.000 1.133 56 W CA -0.959 56.416 57.345 0.051 0.000 1.117 56 W CB 0.069 29.567 29.460 0.063 0.000 1.442 56 W HN 0.365 nan 8.180 nan 0.000 0.575 57 S N 1.060 116.912 115.700 0.253 0.000 2.593 57 S HA 0.883 5.358 4.470 0.009 0.000 0.297 57 S C 0.259 175.005 174.600 0.242 0.000 1.112 57 S CA -0.085 58.202 58.200 0.145 0.000 1.043 57 S CB 1.050 64.304 63.200 0.090 0.000 1.054 57 S HN 2.219 nan 8.310 nan 0.000 0.516 58 G N 0.038 108.939 108.800 0.168 0.000 2.681 58 G HA2 -0.100 3.866 3.960 0.009 0.000 0.220 58 G HA3 -0.100 3.866 3.960 0.009 0.000 0.220 58 G C -0.850 174.203 174.900 0.255 0.000 1.353 58 G CA -0.442 44.761 45.100 0.173 0.000 0.872 58 G HN 1.646 nan 8.290 nan 0.000 0.557 59 V N 0.994 121.025 119.914 0.195 0.000 2.333 59 V HA 0.516 4.642 4.120 0.009 0.000 0.274 59 V C 0.969 177.158 176.094 0.158 0.000 1.028 59 V CA -0.254 62.170 62.300 0.208 0.000 0.851 59 V CB 1.092 32.997 31.823 0.137 0.000 1.000 59 V HN 0.825 nan 8.190 nan 0.000 0.456 60 L N 4.632 125.953 121.223 0.164 0.000 2.410 60 L HA 0.291 4.637 4.340 0.009 0.000 0.273 60 L C 0.649 177.501 176.870 -0.030 0.000 1.152 60 L CA 0.058 54.838 54.840 -0.100 0.000 0.855 60 L CB 0.637 42.357 42.059 -0.564 0.000 1.129 60 L HN 0.706 nan 8.230 nan 0.000 0.463 61 D N 4.960 125.323 120.400 -0.062 0.000 2.339 61 D HA 0.149 4.794 4.640 0.009 0.000 0.256 61 D C -0.401 175.860 176.300 -0.066 0.000 1.214 61 D CA 0.018 53.992 54.000 -0.043 0.000 0.877 61 D CB 1.446 42.211 40.800 -0.059 0.000 1.111 61 D HN 0.678 nan 8.370 nan 0.000 0.478 62 A N 3.252 126.060 122.820 -0.020 0.000 3.113 62 A HA 0.203 4.528 4.320 0.009 0.000 0.307 62 A C 0.976 178.482 177.584 -0.130 0.000 1.025 62 A CA -0.442 51.576 52.037 -0.031 0.000 1.012 62 A CB -0.095 18.992 19.000 0.145 0.000 1.085 62 A HN 0.574 nan 8.150 nan 0.000 0.519 63 T N -3.180 111.275 114.554 -0.165 0.000 3.023 63 T HA 0.265 4.621 4.350 0.009 0.000 0.253 63 T C 0.705 175.243 174.700 -0.270 0.000 1.038 63 T CA 0.800 62.769 62.100 -0.218 0.000 0.962 63 T CB -0.199 68.576 68.868 -0.154 0.000 1.018 63 T HN 0.725 nan 8.240 nan 0.000 0.521 64 T N -0.639 113.753 114.554 -0.271 0.000 2.883 64 T HA 0.692 5.047 4.350 0.009 0.000 0.301 64 T C -0.850 173.676 174.700 -0.290 0.000 1.158 64 T CA -0.916 61.011 62.100 -0.289 0.000 1.007 64 T CB 1.045 69.819 68.868 -0.156 0.000 1.186 64 T HN -0.016 nan 8.240 nan 0.000 0.499 65 F N 1.939 121.819 119.950 -0.117 0.000 2.506 65 F HA 0.346 4.879 4.527 0.009 0.000 0.351 65 F C 1.447 177.142 175.800 -0.174 0.000 1.136 65 F CA -0.124 57.807 58.000 -0.115 0.000 1.298 65 F CB 0.500 39.462 39.000 -0.064 0.000 1.145 65 F HN 0.482 nan 8.300 nan 0.000 0.593 66 Q N 1.316 121.116 119.800 0.000 0.000 2.162 66 Q HA 0.229 4.574 4.340 0.009 0.000 0.197 66 Q C -0.159 175.757 176.000 -0.140 0.000 1.013 66 Q CA -0.769 54.870 55.803 -0.274 0.000 1.040 66 Q CB 0.574 28.820 28.738 -0.821 0.000 1.114 66 Q HN 0.525 nan 8.270 nan 0.000 0.547 67 N N -0.284 118.302 118.700 -0.190 0.000 2.305 67 N HA -0.003 4.743 4.740 0.009 0.000 0.232 67 N C -0.494 175.001 175.510 -0.024 0.000 1.274 67 N CA 0.188 53.190 53.050 -0.080 0.000 0.870 67 N CB 0.309 38.767 38.487 -0.048 0.000 1.105 67 N HN 0.166 nan 8.380 nan 0.000 0.436 68 V N 1.183 121.061 119.914 -0.060 0.000 2.539 68 V HA 0.139 4.264 4.120 0.009 0.000 0.292 68 V C 0.494 176.548 176.094 -0.068 0.000 1.045 68 V CA -0.871 61.384 62.300 -0.074 0.000 0.945 68 V CB 1.362 33.105 31.823 -0.133 0.000 0.993 68 V HN 0.711 nan 8.190 nan 0.000 0.464 69 c N 4.000 122.577 118.600 -0.038 0.000 2.642 69 c HA 0.135 4.710 4.570 0.009 0.000 0.420 69 c C 0.489 174.531 174.090 -0.081 0.000 1.349 69 c CA -0.623 55.685 56.329 -0.034 0.000 1.821 69 c CB -1.101 41.421 42.510 0.019 0.000 2.637 69 c HN 0.741 nan 8.230 nan 0.000 0.605 70 Y N 4.023 124.176 120.300 -0.245 0.000 2.881 70 Y HA 0.136 4.691 4.550 0.009 0.000 0.335 70 Y C 0.911 176.798 175.900 -0.022 0.000 1.263 70 Y CA 1.213 59.148 58.100 -0.276 0.000 1.572 70 Y CB 0.101 38.120 38.460 -0.734 0.000 1.237 70 Y HN 0.742 nan 8.280 nan 0.000 0.568 71 Q N 3.907 123.699 119.800 -0.013 0.000 2.575 71 Q HA 0.227 4.573 4.340 0.009 0.000 0.290 71 Q C -1.781 174.390 176.000 0.286 0.000 0.963 71 Q CA -1.262 54.703 55.803 0.270 0.000 0.783 71 Q CB 1.290 30.154 28.738 0.210 0.000 1.467 71 Q HN 0.612 nan 8.270 nan 0.000 0.402 72 Y N 1.014 121.534 120.300 0.366 0.000 2.511 72 Y HA 0.359 4.914 4.550 0.009 0.000 0.332 72 Y C -1.028 175.029 175.900 0.261 0.000 1.177 72 Y CA 0.238 58.553 58.100 0.359 0.000 1.422 72 Y CB 0.923 39.717 38.460 0.555 0.000 1.271 72 Y HN 0.427 nan 8.280 nan 0.000 0.550 73 V N 7.130 126.779 119.914 -0.441 0.000 2.384 73 V HA 0.099 4.224 4.120 0.009 0.000 0.287 73 V C -0.188 175.613 176.094 -0.487 0.000 1.020 73 V CA -1.153 60.971 62.300 -0.292 0.000 0.850 73 V CB 1.384 33.089 31.823 -0.197 0.000 0.987 73 V HN 0.819 nan 8.190 nan 0.000 0.436 74 D N 3.566 123.931 120.400 -0.057 0.000 2.425 74 D HA 0.062 4.707 4.640 0.009 0.000 0.247 74 D C 0.677 177.016 176.300 0.064 0.000 1.147 74 D CA 0.431 54.509 54.000 0.129 0.000 0.879 74 D CB 1.618 42.627 40.800 0.349 0.000 1.179 74 D HN 0.751 nan 8.370 nan 0.000 0.456 75 T N 1.276 115.865 114.554 0.058 0.000 3.144 75 T HA -0.003 4.352 4.350 0.009 0.000 0.290 75 T C 1.689 176.402 174.700 0.021 0.000 0.966 75 T CA -0.430 61.691 62.100 0.034 0.000 0.907 75 T CB 0.096 68.949 68.868 -0.025 0.000 1.152 75 T HN 0.270 nan 8.240 nan 0.000 0.532 76 L N 0.983 122.217 121.223 0.017 0.000 2.043 76 L HA 0.045 4.391 4.340 0.009 0.000 0.212 76 L C -0.084 176.543 176.870 -0.405 0.000 1.075 76 L CA 1.772 56.464 54.840 -0.248 0.000 0.752 76 L CB -0.502 41.325 42.059 -0.387 0.000 0.891 76 L HN 0.422 nan 8.230 nan 0.000 0.432 77 Y N -0.439 119.899 120.300 0.064 0.000 2.658 77 Y HA 0.429 4.984 4.550 0.009 0.000 0.362 77 Y C -2.181 173.764 175.900 0.074 0.000 1.017 77 Y CA -3.461 54.647 58.100 0.013 0.000 1.134 77 Y CB -0.354 38.063 38.460 -0.072 0.000 1.144 77 Y HN 0.066 nan 8.280 nan 0.000 0.655 78 P HA 0.053 nan 4.420 nan 0.000 0.258 78 P C 1.056 178.420 177.300 0.107 0.000 1.172 78 P CA 1.907 65.071 63.100 0.106 0.000 0.762 78 P CB 0.563 32.295 31.700 0.053 0.000 0.764 79 G N 2.830 111.683 108.800 0.089 0.000 2.241 79 G HA2 -0.291 3.674 3.960 0.009 0.000 0.244 79 G HA3 -0.291 3.674 3.960 0.009 0.000 0.244 79 G C 0.041 174.990 174.900 0.082 0.000 0.998 79 G CA -0.441 44.694 45.100 0.059 0.000 0.621 79 G HN 0.540 nan 8.290 nan 0.000 0.519 80 F N 2.558 122.472 119.950 -0.061 0.000 2.506 80 F HA 0.562 5.094 4.527 0.009 0.000 0.371 80 F C 1.419 177.130 175.800 -0.148 0.000 1.078 80 F CA -0.283 57.630 58.000 -0.145 0.000 1.195 80 F CB 1.295 40.175 39.000 -0.199 0.000 1.099 80 F HN 0.208 nan 8.300 nan 0.000 0.548 81 E N 3.878 123.698 120.200 -0.633 0.000 2.204 81 E HA -0.080 4.275 4.350 0.009 0.000 0.195 81 E C 2.177 178.314 176.600 -0.772 0.000 0.990 81 E CA 1.649 57.692 56.400 -0.596 0.000 0.821 81 E CB -0.400 29.017 29.700 -0.472 0.000 0.750 81 E HN 0.895 nan 8.360 nan 0.000 0.477 82 G N -0.707 107.107 108.800 -1.643 0.000 2.448 82 G HA2 -0.275 3.691 3.960 0.009 0.000 0.219 82 G HA3 -0.275 3.691 3.960 0.009 0.000 0.219 82 G C 1.648 176.584 174.900 0.060 0.000 1.127 82 G CA 1.515 45.963 45.100 -1.088 0.000 0.766 82 G HN 0.482 nan 8.290 nan 0.000 0.552 83 T N -2.094 112.498 114.554 0.064 0.000 3.042 83 T HA 0.149 4.504 4.350 0.009 0.000 0.245 83 T C 1.872 176.737 174.700 0.276 0.000 1.029 83 T CA 0.600 63.020 62.100 0.533 0.000 1.120 83 T CB 0.020 69.289 68.868 0.667 0.000 0.917 83 T HN 0.219 nan 8.240 nan 0.000 0.467 84 E N 2.401 122.628 120.200 0.045 0.000 2.153 84 E HA -0.116 4.239 4.350 0.009 0.000 0.194 84 E C 2.251 178.758 176.600 -0.155 0.000 0.988 84 E CA 1.450 57.829 56.400 -0.035 0.000 0.811 84 E CB -0.498 29.151 29.700 -0.084 0.000 0.746 84 E HN 0.763 nan 8.360 nan 0.000 0.466 85 M N -1.822 117.588 119.600 -0.317 0.000 2.446 85 M HA -0.091 4.395 4.480 0.009 0.000 0.263 85 M C 1.206 177.109 176.300 -0.661 0.000 1.066 85 M CA 1.503 56.466 55.300 -0.560 0.000 1.087 85 M CB -0.539 31.606 32.600 -0.759 0.000 1.406 85 M HN 0.016 nan 8.290 nan 0.000 0.459 86 W N 0.880 122.110 121.300 -0.116 0.000 3.211 86 W HA 0.291 4.956 4.660 0.009 0.000 0.292 86 W C 0.409 176.856 176.519 -0.122 0.000 1.268 86 W CA -0.937 56.325 57.345 -0.138 0.000 1.702 86 W CB -0.171 29.253 29.460 -0.061 0.000 1.092 86 W HN 0.097 nan 8.180 nan 0.000 0.643 87 N N 1.526 120.259 118.700 0.055 0.000 2.444 87 N HA 0.135 4.880 4.740 0.009 0.000 0.255 87 N C -2.376 173.085 175.510 -0.081 0.000 1.255 87 N CA -1.399 51.656 53.050 0.008 0.000 0.933 87 N CB -0.141 38.347 38.487 0.002 0.000 1.143 87 N HN -0.342 nan 8.380 nan 0.000 0.453 88 P HA 0.024 nan 4.420 nan 0.000 0.264 88 P C 0.265 177.482 177.300 -0.138 0.000 1.183 88 P CA 0.162 63.180 63.100 -0.136 0.000 0.763 88 P CB 0.337 31.953 31.700 -0.140 0.000 0.807 89 N N 2.156 120.760 118.700 -0.160 0.000 2.200 89 N HA 0.099 4.844 4.740 0.009 0.000 0.224 89 N C 0.047 175.489 175.510 -0.113 0.000 1.179 89 N CA -0.016 52.947 53.050 -0.145 0.000 0.877 89 N CB 0.499 38.878 38.487 -0.181 0.000 1.072 89 N HN 0.170 nan 8.380 nan 0.000 0.519 90 R N 0.170 120.603 120.500 -0.111 0.000 2.764 90 R HA 0.239 4.584 4.340 0.009 0.000 0.270 90 R C -0.792 175.450 176.300 -0.096 0.000 1.014 90 R CA -0.635 55.415 56.100 -0.084 0.000 0.904 90 R CB 1.378 31.638 30.300 -0.066 0.000 1.236 90 R HN 0.282 nan 8.270 nan 0.000 0.466 91 E N 1.613 121.763 120.200 -0.083 0.000 2.481 91 E HA -0.028 4.327 4.350 0.009 0.000 0.263 91 E C -0.466 176.068 176.600 -0.111 0.000 0.992 91 E CA 0.104 56.452 56.400 -0.087 0.000 0.938 91 E CB 0.550 30.212 29.700 -0.063 0.000 0.933 91 E HN 0.266 nan 8.360 nan 0.000 0.453 92 L N 3.413 124.541 121.223 -0.158 0.000 2.331 92 L HA 0.272 4.618 4.340 0.009 0.000 0.278 92 L C 0.273 177.093 176.870 -0.083 0.000 1.106 92 L CA -0.053 54.629 54.840 -0.262 0.000 0.824 92 L CB 1.194 42.877 42.059 -0.627 0.000 1.142 92 L HN 0.461 nan 8.230 nan 0.000 0.443 93 S N 1.229 116.931 115.700 0.002 0.000 2.552 93 S HA 0.188 4.663 4.470 0.009 0.000 0.272 93 S C 0.160 174.779 174.600 0.031 0.000 1.150 93 S CA -0.657 57.605 58.200 0.104 0.000 0.849 93 S CB 1.605 64.826 63.200 0.034 0.000 1.113 93 S HN 0.741 nan 8.310 nan 0.000 0.458 94 E N 0.887 121.056 120.200 -0.052 0.000 2.347 94 E HA -0.035 4.321 4.350 0.009 0.000 0.196 94 E C -0.373 176.178 176.600 -0.080 0.000 1.008 94 E CA 0.417 56.718 56.400 -0.165 0.000 0.852 94 E CB 0.135 29.693 29.700 -0.236 0.000 0.783 94 E HN 0.513 nan 8.360 nan 0.000 0.505 95 D N 0.370 120.758 120.400 -0.020 0.000 2.468 95 D HA 0.011 4.657 4.640 0.009 0.000 0.218 95 D C 0.020 176.408 176.300 0.146 0.000 1.155 95 D CA -0.391 53.625 54.000 0.028 0.000 0.924 95 D CB 0.122 40.956 40.800 0.056 0.000 1.029 95 D HN 0.130 nan 8.370 nan 0.000 0.515 96 c N 2.676 121.329 118.600 0.088 0.000 3.865 96 c HA 0.377 4.952 4.570 0.009 0.000 0.297 96 c C 0.513 174.667 174.090 0.106 0.000 1.758 96 c CA -0.666 55.781 56.329 0.197 0.000 1.778 96 c CB -1.248 41.311 42.510 0.082 0.000 3.158 96 c HN 0.446 nan 8.230 nan 0.000 0.598 97 L N 2.606 123.629 121.223 -0.334 0.000 2.404 97 L HA 0.414 4.759 4.340 0.009 0.000 0.277 97 L C -0.933 175.286 176.870 -1.086 0.000 1.184 97 L CA 0.544 54.958 54.840 -0.711 0.000 1.013 97 L CB -0.646 40.848 42.059 -0.942 0.000 1.318 97 L HN 0.390 nan 8.230 nan 0.000 0.435 98 Y N 2.229 122.485 120.300 -0.075 0.000 2.581 98 Y HA 0.653 5.209 4.550 0.009 0.000 0.345 98 Y C -0.113 175.993 175.900 0.343 0.000 1.036 98 Y CA -1.222 56.930 58.100 0.087 0.000 1.042 98 Y CB 2.025 40.490 38.460 0.008 0.000 1.289 98 Y HN 0.224 nan 8.280 nan 0.000 0.471 99 L N -0.330 121.081 121.223 0.314 0.000 2.303 99 L HA 0.791 5.136 4.340 0.009 0.000 0.256 99 L C -1.324 175.548 176.870 0.002 0.000 1.034 99 L CA -1.171 53.732 54.840 0.106 0.000 0.832 99 L CB 1.717 43.649 42.059 -0.211 0.000 1.403 99 L HN 0.483 nan 8.230 nan 0.000 0.419 100 N N -0.193 118.504 118.700 -0.006 0.000 2.225 100 N HA 0.747 5.492 4.740 0.009 0.000 0.298 100 N C -1.567 173.846 175.510 -0.161 0.000 1.076 100 N CA -0.409 52.556 53.050 -0.141 0.000 0.792 100 N CB 2.895 41.309 38.487 -0.122 0.000 1.498 100 N HN 0.504 nan 8.380 nan 0.000 0.474 101 V N 1.317 121.063 119.914 -0.280 0.000 2.638 101 V HA 0.482 4.607 4.120 0.009 0.000 0.306 101 V C -0.908 175.121 176.094 -0.108 0.000 1.052 101 V CA -0.762 61.467 62.300 -0.118 0.000 0.885 101 V CB 2.389 34.028 31.823 -0.307 0.000 0.999 101 V HN 0.554 nan 8.190 nan 0.000 0.424 102 W N 2.846 124.235 121.300 0.147 0.000 2.632 102 W HA 0.720 5.386 4.660 0.010 0.000 0.328 102 W C 0.046 176.666 176.519 0.168 0.000 1.044 102 W CA -0.411 57.020 57.345 0.145 0.000 1.225 102 W CB 2.511 32.038 29.460 0.112 0.000 1.396 102 W HN 0.680 nan 8.180 nan 0.000 0.499 103 T N 0.088 114.883 114.554 0.401 0.000 2.843 103 T HA 0.488 4.843 4.350 0.009 0.000 0.302 103 T C -2.914 171.953 174.700 0.279 0.000 1.232 103 T CA -2.274 60.020 62.100 0.323 0.000 1.009 103 T CB 2.262 71.343 68.868 0.354 0.000 1.254 103 T HN -0.112 nan 8.240 nan 0.000 0.504 104 P HA 0.213 nan 4.420 nan 0.000 0.269 104 P C -1.552 175.890 177.300 0.238 0.000 1.217 104 P CA -0.114 63.101 63.100 0.192 0.000 0.783 104 P CB 0.112 31.896 31.700 0.139 0.000 0.898 105 Y N 2.745 123.097 120.300 0.086 0.000 2.326 105 Y HA 0.424 4.979 4.550 0.009 0.000 0.329 105 Y C -2.225 173.708 175.900 0.055 0.000 0.973 105 Y CA -2.481 55.664 58.100 0.075 0.000 1.162 105 Y CB 1.245 39.737 38.460 0.053 0.000 1.147 105 Y HN 0.331 nan 8.280 nan 0.000 0.456 106 P HA 0.214 nan 4.420 nan 0.000 0.274 106 P C -0.908 176.350 177.300 -0.071 0.000 1.246 106 P CA -0.390 62.510 63.100 -0.334 0.000 0.795 106 P CB 1.158 32.701 31.700 -0.261 0.000 1.006 107 R N 1.459 121.934 120.500 -0.042 0.000 2.638 107 R HA 0.100 4.445 4.340 0.009 0.000 0.268 107 R C -1.518 174.808 176.300 0.043 0.000 1.006 107 R CA -0.904 55.232 56.100 0.060 0.000 1.088 107 R CB -0.766 29.583 30.300 0.082 0.000 0.950 107 R HN 0.496 nan 8.270 nan 0.000 0.419 108 P HA -0.161 nan 4.420 nan 0.000 0.266 108 P C -0.034 177.284 177.300 0.030 0.000 1.180 108 P CA 0.346 63.477 63.100 0.052 0.000 0.765 108 P CB 0.605 32.345 31.700 0.067 0.000 0.806 109 A N 3.716 126.549 122.820 0.021 0.000 1.835 109 A HA -0.060 4.265 4.320 0.009 0.000 0.215 109 A C 1.209 178.798 177.584 0.008 0.000 1.199 109 A CA 1.855 53.898 52.037 0.010 0.000 0.615 109 A CB -1.155 17.850 19.000 0.008 0.000 0.838 109 A HN 0.751 nan 8.150 nan 0.000 0.444 110 S N -0.855 114.851 115.700 0.011 0.000 2.681 110 S HA 0.601 5.076 4.470 0.009 0.000 0.299 110 S C -3.005 171.604 174.600 0.015 0.000 1.113 110 S CA -1.840 56.364 58.200 0.008 0.000 1.013 110 S CB 0.754 63.956 63.200 0.002 0.000 1.076 110 S HN 0.082 nan 8.310 nan 0.000 0.534 111 P HA 0.129 nan 4.420 nan 0.000 0.258 111 P C -0.657 176.656 177.300 0.021 0.000 1.172 111 P CA 0.488 63.598 63.100 0.018 0.000 0.762 111 P CB -0.025 31.677 31.700 0.003 0.000 0.764 112 T N 5.668 120.246 114.554 0.041 0.000 2.859 112 T HA 0.399 4.754 4.350 0.009 0.000 0.281 112 T C -2.400 172.326 174.700 0.043 0.000 1.005 112 T CA -1.854 60.271 62.100 0.042 0.000 1.025 112 T CB 0.874 69.781 68.868 0.064 0.000 0.977 112 T HN 0.128 nan 8.240 nan 0.000 0.458 113 P HA 0.136 nan 4.420 nan 0.000 0.264 113 P C -0.851 176.483 177.300 0.057 0.000 1.193 113 P CA -0.179 62.933 63.100 0.020 0.000 0.763 113 P CB 0.366 32.059 31.700 -0.011 0.000 0.810 114 V N 5.490 125.454 119.914 0.085 0.000 2.439 114 V HA 0.284 4.409 4.120 0.009 0.000 0.282 114 V C 0.384 176.559 176.094 0.136 0.000 1.039 114 V CA -0.401 61.974 62.300 0.126 0.000 0.913 114 V CB 1.005 32.919 31.823 0.151 0.000 0.983 114 V HN 0.362 nan 8.190 nan 0.000 0.460 115 L N 5.940 127.258 121.223 0.158 0.000 2.313 115 L HA 0.609 4.955 4.340 0.009 0.000 0.283 115 L C -0.645 176.454 176.870 0.382 0.000 1.013 115 L CA -0.358 54.593 54.840 0.185 0.000 0.816 115 L CB 1.744 43.816 42.059 0.021 0.000 1.236 115 L HN 0.487 nan 8.230 nan 0.000 0.419 116 I N 2.853 123.692 120.570 0.448 0.000 2.389 116 I HA 0.239 4.415 4.170 0.009 0.000 0.288 116 I C -0.656 175.768 176.117 0.512 0.000 0.999 116 I CA -0.433 61.110 61.300 0.406 0.000 1.129 116 I CB 1.704 39.820 38.000 0.194 0.000 1.288 116 I HN 0.631 nan 8.210 nan 0.000 0.444 117 W N 8.412 129.835 121.300 0.204 0.000 2.365 117 W HA 0.583 5.248 4.660 0.008 0.000 0.316 117 W C -1.515 174.910 176.519 -0.157 0.000 1.164 117 W CA -0.600 56.639 57.345 -0.177 0.000 1.204 117 W CB 1.237 30.583 29.460 -0.190 0.000 1.213 117 W HN 0.343 nan 8.180 nan 0.000 0.539 118 I N 8.995 128.921 120.570 -1.073 0.000 2.448 118 I HA 0.055 4.230 4.170 0.009 0.000 0.281 118 I C -0.287 174.999 176.117 -1.386 0.000 1.027 118 I CA -1.075 59.664 61.300 -0.935 0.000 1.111 118 I CB 0.727 38.340 38.000 -0.644 0.000 1.236 118 I HN 0.314 nan 8.210 nan 0.000 0.452 119 Y N 4.560 124.314 120.300 -0.909 0.000 2.511 119 Y HA 0.608 5.163 4.550 0.009 0.000 0.347 119 Y C 0.802 176.493 175.900 -0.349 0.000 1.257 119 Y CA -0.632 57.056 58.100 -0.686 0.000 1.469 119 Y CB -0.072 38.234 38.460 -0.255 0.000 1.353 119 Y HN 0.496 nan 8.280 nan 0.000 0.617 120 G N -1.014 107.789 108.800 0.005 0.000 2.568 120 G HA2 0.498 4.464 3.960 0.009 0.000 0.293 120 G HA3 0.498 4.464 3.960 0.009 0.000 0.293 120 G C 0.242 175.096 174.900 -0.075 0.000 1.347 120 G CA -0.924 44.107 45.100 -0.115 0.000 1.039 120 G HN 1.713 nan 8.290 nan 0.000 0.523 121 G N -2.769 105.824 108.800 -0.345 0.000 2.321 121 G HA2 0.412 4.377 3.960 0.009 0.000 0.219 121 G HA3 0.412 4.377 3.960 0.009 0.000 0.219 121 G C 1.007 175.394 174.900 -0.855 0.000 1.057 121 G CA 0.700 45.490 45.100 -0.516 0.000 0.849 121 G HN 2.298 nan 8.290 nan 0.000 0.520 122 G N -0.420 107.840 108.800 -0.900 0.000 2.233 122 G HA2 -0.132 3.834 3.960 0.009 0.000 0.270 122 G HA3 -0.132 3.834 3.960 0.009 0.000 0.270 122 G C 0.907 175.473 174.900 -0.558 0.000 1.011 122 G CA 0.808 45.096 45.100 -1.353 0.000 0.762 122 G HN 1.756 nan 8.290 nan 0.000 0.511 123 F N -3.451 116.348 119.950 -0.251 0.000 2.794 123 F HA -0.292 4.240 4.527 0.009 0.000 0.335 123 F C 1.370 177.264 175.800 0.156 0.000 0.653 123 F CA 2.096 60.078 58.000 -0.030 0.000 1.266 123 F CB -2.066 36.783 39.000 -0.251 0.000 1.666 123 F HN 0.973 nan 8.300 nan 0.000 0.314 124 Y N -1.233 119.193 120.300 0.209 0.000 2.563 124 Y HA 0.672 5.227 4.550 0.009 0.000 0.250 124 Y C 0.470 176.528 175.900 0.262 0.000 1.126 124 Y CA 0.146 58.414 58.100 0.279 0.000 1.231 124 Y CB -0.011 38.606 38.460 0.262 0.000 1.288 124 Y HN 0.097 nan 8.280 nan 0.000 0.537 125 S N -0.929 114.558 115.700 -0.355 0.000 2.703 125 S HA 0.879 5.354 4.470 0.009 0.000 0.273 125 S C -0.147 174.316 174.600 -0.229 0.000 1.178 125 S CA -0.508 57.550 58.200 -0.236 0.000 0.838 125 S CB 1.461 64.469 63.200 -0.320 0.000 1.178 125 S HN 1.414 nan 8.310 nan 0.000 0.494 126 G N -0.645 107.982 108.800 -0.289 0.000 2.423 126 G HA2 0.564 4.529 3.960 0.009 0.000 0.684 126 G HA3 0.564 4.529 3.960 0.009 0.000 0.684 126 G C -0.667 173.602 174.900 -1.053 0.000 1.309 126 G CA -0.253 44.482 45.100 -0.609 0.000 0.950 126 G HN 2.343 nan 8.290 nan 0.000 0.587 127 A N -1.486 120.465 122.820 -1.450 0.000 2.590 127 A HA 0.963 5.288 4.320 0.009 0.000 0.296 127 A C 0.443 177.806 177.584 -0.368 0.000 1.050 127 A CA 0.752 52.279 52.037 -0.849 0.000 0.697 127 A CB 0.678 19.450 19.000 -0.380 0.000 1.277 127 A HN 2.598 nan 8.150 nan 0.000 0.411 128 A N 0.407 123.284 122.820 0.096 0.000 2.238 128 A HA 0.324 4.650 4.320 0.009 0.000 0.208 128 A C 1.609 179.249 177.584 0.093 0.000 1.177 128 A CA 1.598 53.857 52.037 0.371 0.000 0.804 128 A CB -0.573 18.721 19.000 0.490 0.000 0.823 128 A HN 1.840 nan 8.150 nan 0.000 0.482 129 S N -0.460 115.055 115.700 -0.308 0.000 2.575 129 S HA 0.303 4.778 4.470 0.009 0.000 0.215 129 S C 0.520 174.694 174.600 -0.709 0.000 0.966 129 S CA -0.431 57.136 58.200 -1.054 0.000 0.911 129 S CB -0.585 61.909 63.200 -1.176 0.000 0.780 129 S HN 0.391 nan 8.310 nan 0.000 0.514 130 L N 2.211 123.176 121.223 -0.429 0.000 2.483 130 L HA 0.141 4.487 4.340 0.009 0.000 0.276 130 L C 1.215 177.757 176.870 -0.546 0.000 1.213 130 L CA -0.452 54.071 54.840 -0.528 0.000 0.843 130 L CB 0.187 41.816 42.059 -0.717 0.000 1.107 130 L HN 0.056 nan 8.230 nan 0.000 0.487 131 D N 0.986 121.101 120.400 -0.474 0.000 2.149 131 D HA -0.146 4.499 4.640 0.009 0.000 0.198 131 D C 1.972 177.984 176.300 -0.481 0.000 0.990 131 D CA 1.340 55.117 54.000 -0.370 0.000 0.839 131 D CB -0.042 40.579 40.800 -0.298 0.000 0.948 131 D HN 0.524 nan 8.370 nan 0.000 0.460 132 V N -1.486 117.983 119.914 -0.742 0.000 3.078 132 V HA -0.146 3.980 4.120 0.009 0.000 0.265 132 V C 1.003 176.479 176.094 -1.030 0.000 1.122 132 V CA 1.007 62.830 62.300 -0.796 0.000 1.141 132 V CB -1.119 30.177 31.823 -0.879 0.000 0.735 132 V HN 0.071 nan 8.190 nan 0.000 0.498 133 Y N 0.119 119.843 120.300 -0.960 0.000 2.607 133 Y HA 0.454 5.009 4.550 0.009 0.000 0.266 133 Y C 0.809 176.109 175.900 -0.999 0.000 1.178 133 Y CA -2.001 55.134 58.100 -1.608 0.000 1.226 133 Y CB -0.774 37.137 38.460 -0.915 0.000 1.144 133 Y HN 0.218 nan 8.280 nan 0.000 0.528 134 D N 0.883 120.986 120.400 -0.495 0.000 2.389 134 D HA 0.032 4.677 4.640 0.009 0.000 0.263 134 D C 1.379 177.374 176.300 -0.509 0.000 1.255 134 D CA 0.492 54.269 54.000 -0.373 0.000 0.914 134 D CB 1.273 41.994 40.800 -0.131 0.000 1.116 134 D HN 0.495 nan 8.370 nan 0.000 0.502 135 G N 3.920 111.800 108.800 -1.533 0.000 2.920 135 G HA2 -0.168 3.797 3.960 0.009 0.000 0.208 135 G HA3 -0.168 3.797 3.960 0.009 0.000 0.208 135 G C 1.503 175.834 174.900 -0.949 0.000 1.159 135 G CA 0.218 44.623 45.100 -1.159 0.000 0.784 135 G HN 0.613 nan 8.290 nan 0.000 0.535 136 R N -0.634 119.234 120.500 -1.054 0.000 2.120 136 R HA -0.014 4.332 4.340 0.009 0.000 0.234 136 R C 1.666 177.656 176.300 -0.517 0.000 1.123 136 R CA 1.286 57.011 56.100 -0.625 0.000 0.975 136 R CB -0.645 29.308 30.300 -0.578 0.000 0.866 136 R HN 0.319 nan 8.270 nan 0.000 0.446 137 F N 1.366 121.223 119.950 -0.154 0.000 2.163 137 F HA 0.072 4.605 4.527 0.010 0.000 0.297 137 F C 2.241 177.980 175.800 -0.103 0.000 1.094 137 F CA 0.679 58.614 58.000 -0.109 0.000 1.290 137 F CB -0.529 38.397 39.000 -0.123 0.000 1.017 137 F HN -0.133 nan 8.300 nan 0.000 0.483 138 L N -0.127 121.111 121.223 0.025 0.000 2.083 138 L HA -0.188 4.158 4.340 0.009 0.000 0.209 138 L C 2.722 179.592 176.870 0.001 0.000 1.083 138 L CA 1.135 55.956 54.840 -0.032 0.000 0.752 138 L CB -0.924 41.060 42.059 -0.125 0.000 0.899 138 L HN 0.183 nan 8.230 nan 0.000 0.433 139 A N -0.930 121.894 122.820 0.008 0.000 1.877 139 A HA -0.240 4.086 4.320 0.009 0.000 0.216 139 A C 2.285 179.909 177.584 0.066 0.000 1.186 139 A CA 1.525 53.606 52.037 0.074 0.000 0.620 139 A CB -0.521 18.568 19.000 0.148 0.000 0.822 139 A HN 0.370 nan 8.150 nan 0.000 0.443 140 Q N -0.049 119.771 119.800 0.034 0.000 2.016 140 Q HA -0.093 4.252 4.340 0.009 0.000 0.200 140 Q C 2.214 178.242 176.000 0.047 0.000 0.978 140 Q CA 2.140 57.968 55.803 0.042 0.000 0.833 140 Q CB -0.411 28.334 28.738 0.011 0.000 0.895 140 Q HN 0.404 nan 8.270 nan 0.000 0.427 141 V N 1.267 121.209 119.914 0.046 0.000 2.488 141 V HA -0.116 4.010 4.120 0.009 0.000 0.246 141 V C 1.695 177.803 176.094 0.023 0.000 1.046 141 V CA 1.592 63.914 62.300 0.037 0.000 1.053 141 V CB -0.190 31.655 31.823 0.037 0.000 0.679 141 V HN 0.256 nan 8.190 nan 0.000 0.458 142 E N -0.324 119.888 120.200 0.019 0.000 2.498 142 E HA 0.215 4.570 4.350 0.009 0.000 0.203 142 E C 1.669 178.286 176.600 0.027 0.000 1.013 142 E CA 0.712 57.120 56.400 0.013 0.000 0.927 142 E CB 0.638 30.337 29.700 -0.002 0.000 1.012 142 E HN 0.581 nan 8.360 nan 0.000 0.482 143 G N 1.901 110.727 108.800 0.043 0.000 2.179 143 G HA2 -0.320 3.645 3.960 0.009 0.000 0.257 143 G HA3 -0.320 3.645 3.960 0.009 0.000 0.257 143 G C 0.520 175.461 174.900 0.069 0.000 1.010 143 G CA 0.423 45.559 45.100 0.060 0.000 0.736 143 G HN 0.475 nan 8.290 nan 0.000 0.513 144 A N -0.954 121.904 122.820 0.064 0.000 2.351 144 A HA 0.713 5.039 4.320 0.009 0.000 0.257 144 A C 0.459 178.120 177.584 0.128 0.000 1.087 144 A CA 0.102 52.183 52.037 0.073 0.000 0.798 144 A CB 1.243 20.267 19.000 0.039 0.000 1.033 144 A HN 1.107 nan 8.150 nan 0.000 0.488 145 V N 2.620 122.619 119.914 0.142 0.000 2.350 145 V HA 0.387 4.512 4.120 0.009 0.000 0.276 145 V C -0.209 176.019 176.094 0.222 0.000 1.028 145 V CA -0.133 62.284 62.300 0.194 0.000 0.860 145 V CB 0.874 32.804 31.823 0.178 0.000 0.990 145 V HN 0.725 nan 8.190 nan 0.000 0.453 146 L N 6.245 127.654 121.223 0.311 0.000 2.346 146 L HA 0.770 5.116 4.340 0.009 0.000 0.276 146 L C -0.904 176.251 176.870 0.475 0.000 1.006 146 L CA -0.332 54.741 54.840 0.388 0.000 0.817 146 L CB 1.971 44.260 42.059 0.383 0.000 1.272 146 L HN 0.425 nan 8.230 nan 0.000 0.421 147 V N 2.824 122.994 119.914 0.427 0.000 2.604 147 V HA 0.706 4.832 4.120 0.009 0.000 0.305 147 V C -0.526 175.818 176.094 0.415 0.000 1.043 147 V CA -0.467 62.045 62.300 0.354 0.000 0.888 147 V CB 2.032 33.990 31.823 0.225 0.000 0.995 147 V HN 0.844 nan 8.190 nan 0.000 0.429 148 S N 4.985 120.921 115.700 0.394 0.000 2.541 148 S HA 0.882 5.357 4.470 0.009 0.000 0.280 148 S C -0.858 173.896 174.600 0.258 0.000 1.112 148 S CA -0.814 57.628 58.200 0.403 0.000 0.925 148 S CB 2.264 65.833 63.200 0.614 0.000 1.067 148 S HN 0.894 nan 8.310 nan 0.000 0.479 149 M N 1.375 121.092 119.600 0.196 0.000 2.591 149 M HA 0.650 5.135 4.480 0.009 0.000 0.306 149 M C -1.803 174.719 176.300 0.370 0.000 1.190 149 M CA -0.546 54.866 55.300 0.186 0.000 0.889 149 M CB 1.309 33.840 32.600 -0.116 0.000 1.728 149 M HN 0.549 nan 8.290 nan 0.000 0.458 150 N N 2.650 121.635 118.700 0.476 0.000 2.518 150 N HA 0.592 5.338 4.740 0.009 0.000 0.283 150 N C -1.469 174.326 175.510 0.474 0.000 1.119 150 N CA 0.109 53.450 53.050 0.485 0.000 0.983 150 N CB 0.624 39.328 38.487 0.362 0.000 1.139 150 N HN 0.702 nan 8.380 nan 0.000 0.465 151 Y N -1.713 118.759 120.300 0.287 0.000 2.524 151 Y HA 0.564 5.119 4.550 0.009 0.000 0.347 151 Y C -0.004 176.035 175.900 0.232 0.000 1.005 151 Y CA -1.336 56.892 58.100 0.212 0.000 1.025 151 Y CB 0.894 39.412 38.460 0.097 0.000 1.275 151 Y HN 0.199 nan 8.280 nan 0.000 0.460 152 R N 1.917 122.556 120.500 0.231 0.000 2.570 152 R HA 0.444 4.790 4.340 0.009 0.000 0.277 152 R C -0.226 176.236 176.300 0.269 0.000 1.039 152 R CA 0.002 56.202 56.100 0.167 0.000 1.065 152 R CB 0.641 31.010 30.300 0.116 0.000 0.964 152 R HN 0.725 nan 8.270 nan 0.000 0.428 153 V N -0.299 119.812 119.914 0.328 0.000 3.158 153 V HA 0.885 5.011 4.120 0.009 0.000 0.315 153 V C 0.761 177.195 176.094 0.567 0.000 1.148 153 V CA -0.143 62.466 62.300 0.515 0.000 1.042 153 V CB 1.200 33.228 31.823 0.342 0.000 1.101 153 V HN 0.972 nan 8.190 nan 0.000 0.448 154 G N 1.709 110.883 108.800 0.622 0.000 2.564 154 G HA2 -0.292 3.673 3.960 0.009 0.000 0.273 154 G HA3 -0.292 3.673 3.960 0.009 0.000 0.273 154 G C 1.016 176.080 174.900 0.272 0.000 1.242 154 G CA 1.538 46.935 45.100 0.495 0.000 0.951 154 G HN 2.340 nan 8.290 nan 0.000 0.564 155 T N -1.743 112.682 114.554 -0.215 0.000 2.708 155 T HA -0.074 4.281 4.350 0.009 0.000 0.266 155 T C 2.169 176.713 174.700 -0.260 0.000 1.037 155 T CA 2.590 64.286 62.100 -0.674 0.000 1.146 155 T CB -0.473 67.840 68.868 -0.925 0.000 0.865 155 T HN 0.635 nan 8.240 nan 0.000 0.435 156 F N 2.387 122.387 119.950 0.082 0.000 2.192 156 F HA 0.126 4.658 4.527 0.009 0.000 0.301 156 F C 2.683 178.476 175.800 -0.011 0.000 1.079 156 F CA 1.019 59.021 58.000 0.004 0.000 1.303 156 F CB -0.955 38.032 39.000 -0.022 0.000 1.024 156 F HN 0.418 nan 8.300 nan 0.000 0.494 157 G N -2.663 106.207 108.800 0.117 0.000 2.921 157 G HA2 0.100 4.066 3.960 0.009 0.000 0.213 157 G HA3 0.100 4.066 3.960 0.009 0.000 0.213 157 G C 0.801 175.190 174.900 -0.852 0.000 1.143 157 G CA 0.117 45.045 45.100 -0.286 0.000 0.764 157 G HN 0.349 nan 8.290 nan 0.000 0.542 158 F N -0.562 119.474 119.950 0.143 0.000 2.974 158 F HA 0.416 4.948 4.527 0.010 0.000 0.357 158 F C 0.458 176.333 175.800 0.124 0.000 1.114 158 F CA -0.954 57.112 58.000 0.111 0.000 1.099 158 F CB 0.397 39.473 39.000 0.127 0.000 1.205 158 F HN -0.079 nan 8.300 nan 0.000 0.535 159 L N 2.156 123.425 121.223 0.076 0.000 2.455 159 L HA 0.574 4.920 4.340 0.009 0.000 0.272 159 L C -0.119 176.714 176.870 -0.062 0.000 1.174 159 L CA -0.004 54.781 54.840 -0.092 0.000 0.869 159 L CB 0.502 42.200 42.059 -0.601 0.000 1.130 159 L HN 0.118 nan 8.230 nan 0.000 0.474 160 A N 6.077 128.905 122.820 0.013 0.000 2.486 160 A HA 0.660 4.985 4.320 0.009 0.000 0.300 160 A C -1.136 176.423 177.584 -0.041 0.000 1.048 160 A CA -0.608 51.413 52.037 -0.026 0.000 0.696 160 A CB 1.462 20.483 19.000 0.035 0.000 1.278 160 A HN 0.725 nan 8.150 nan 0.000 0.405 161 L N 2.658 123.843 121.223 -0.063 0.000 2.435 161 L HA 0.307 4.652 4.340 0.009 0.000 0.253 161 L C -2.458 174.398 176.870 -0.024 0.000 1.087 161 L CA -1.843 52.967 54.840 -0.049 0.000 0.950 161 L CB 1.383 43.398 42.059 -0.073 0.000 1.304 161 L HN 0.408 nan 8.230 nan 0.000 0.453 162 P HA -0.020 nan 4.420 nan 0.000 0.259 162 P C 0.999 178.300 177.300 0.001 0.000 1.163 162 P CA 1.029 64.130 63.100 0.002 0.000 0.760 162 P CB 0.676 32.378 31.700 0.004 0.000 0.762 163 G N 1.932 110.737 108.800 0.008 0.000 2.234 163 G HA2 -0.250 3.715 3.960 0.009 0.000 0.235 163 G HA3 -0.250 3.715 3.960 0.009 0.000 0.235 163 G C 0.501 175.405 174.900 0.006 0.000 0.997 163 G CA 0.232 45.337 45.100 0.008 0.000 0.623 163 G HN 0.808 nan 8.290 nan 0.000 0.514 164 S N -0.318 115.383 115.700 0.001 0.000 2.617 164 S HA 0.588 5.064 4.470 0.009 0.000 0.259 164 S C 1.230 175.837 174.600 0.011 0.000 1.301 164 S CA 0.589 58.790 58.200 0.001 0.000 0.984 164 S CB 1.755 64.947 63.200 -0.012 0.000 0.954 164 S HN 0.499 nan 8.310 nan 0.000 0.572 165 R N -0.263 120.246 120.500 0.015 0.000 2.225 165 R HA 0.135 4.480 4.340 0.009 0.000 0.194 165 R C 1.046 177.367 176.300 0.034 0.000 0.957 165 R CA 0.618 56.732 56.100 0.024 0.000 1.042 165 R CB -0.114 30.200 30.300 0.022 0.000 1.004 165 R HN 0.803 nan 8.270 nan 0.000 0.509 166 E N -0.406 119.814 120.200 0.034 0.000 2.447 166 E HA 0.145 4.501 4.350 0.009 0.000 0.195 166 E C -0.153 176.496 176.600 0.081 0.000 1.028 166 E CA 0.488 56.923 56.400 0.059 0.000 0.876 166 E CB 1.274 31.008 29.700 0.058 0.000 0.885 166 E HN 0.239 nan 8.360 nan 0.000 0.500 167 A N 1.064 123.902 122.820 0.029 0.000 3.474 167 A HA 0.242 4.568 4.320 0.009 0.000 0.251 167 A C -2.100 175.482 177.584 -0.003 0.000 1.062 167 A CA -0.818 51.218 52.037 -0.001 0.000 0.945 167 A CB 0.359 19.259 19.000 -0.167 0.000 1.296 167 A HN -0.074 nan 8.150 nan 0.000 0.592 168 P HA 0.062 nan 4.420 nan 0.000 0.222 168 P C 0.952 178.271 177.300 0.031 0.000 1.147 168 P CA 2.034 65.152 63.100 0.030 0.000 0.790 168 P CB 0.108 31.835 31.700 0.045 0.000 0.780 169 G N 0.533 109.348 108.800 0.025 0.000 2.699 169 G HA2 -0.174 3.792 3.960 0.009 0.000 0.686 169 G HA3 -0.174 3.792 3.960 0.009 0.000 0.686 169 G C -0.152 174.749 174.900 0.001 0.000 1.301 169 G CA -0.313 44.804 45.100 0.029 0.000 0.816 169 G HN 0.151 nan 8.290 nan 0.000 0.595 170 N N -2.265 116.428 118.700 -0.011 0.000 2.708 170 N HA -0.282 4.463 4.740 0.009 0.000 0.251 170 N C 1.893 177.261 175.510 -0.236 0.000 1.123 170 N CA 2.354 55.336 53.050 -0.114 0.000 0.739 170 N CB -1.685 36.697 38.487 -0.174 0.000 1.113 170 N HN 1.928 nan 8.380 nan 0.000 0.561 171 V N -2.802 116.963 119.914 -0.249 0.000 2.594 171 V HA -0.016 4.109 4.120 0.009 0.000 0.253 171 V C 2.297 178.269 176.094 -0.204 0.000 1.069 171 V CA 2.238 64.444 62.300 -0.157 0.000 1.082 171 V CB -0.874 30.901 31.823 -0.080 0.000 0.680 171 V HN 0.279 nan 8.190 nan 0.000 0.469 172 G N 0.310 108.794 108.800 -0.525 0.000 2.422 172 G HA2 -0.122 3.844 3.960 0.009 0.000 0.218 172 G HA3 -0.122 3.844 3.960 0.009 0.000 0.218 172 G C 1.551 176.441 174.900 -0.016 0.000 1.140 172 G CA 1.063 46.014 45.100 -0.250 0.000 0.775 172 G HN 0.538 nan 8.290 nan 0.000 0.545 173 L N -0.198 120.948 121.223 -0.127 0.000 2.156 173 L HA 0.117 4.462 4.340 0.009 0.000 0.208 173 L C 2.739 179.634 176.870 0.041 0.000 1.095 173 L CA 0.280 55.015 54.840 -0.176 0.000 0.770 173 L CB -0.192 41.433 42.059 -0.723 0.000 0.914 173 L HN 0.188 nan 8.230 nan 0.000 0.439 174 L N -0.726 120.536 121.223 0.065 0.000 2.156 174 L HA -0.162 4.184 4.340 0.009 0.000 0.208 174 L C 2.096 179.092 176.870 0.211 0.000 1.095 174 L CA 0.689 55.656 54.840 0.212 0.000 0.770 174 L CB -0.502 41.658 42.059 0.170 0.000 0.914 174 L HN 0.257 nan 8.230 nan 0.000 0.439 175 D N 0.009 120.525 120.400 0.193 0.000 2.097 175 D HA -0.200 4.446 4.640 0.009 0.000 0.195 175 D C 2.245 178.713 176.300 0.280 0.000 0.989 175 D CA 1.175 55.369 54.000 0.323 0.000 0.827 175 D CB -0.139 40.868 40.800 0.344 0.000 0.966 175 D HN 0.383 nan 8.370 nan 0.000 0.456 176 Q N 0.182 120.073 119.800 0.152 0.000 2.050 176 Q HA -0.132 4.214 4.340 0.009 0.000 0.202 176 Q C 2.301 178.293 176.000 -0.014 0.000 0.980 176 Q CA 1.060 56.867 55.803 0.007 0.000 0.840 176 Q CB -0.064 28.674 28.738 -0.000 0.000 0.898 176 Q HN 0.180 nan 8.270 nan 0.000 0.424 177 R N 0.521 121.116 120.500 0.158 0.000 2.091 177 R HA -0.188 4.157 4.340 0.009 0.000 0.238 177 R C 2.208 178.565 176.300 0.095 0.000 1.136 177 R CA 1.105 57.289 56.100 0.139 0.000 0.959 177 R CB -0.248 30.236 30.300 0.306 0.000 0.856 177 R HN 0.219 nan 8.270 nan 0.000 0.437 178 L N 0.666 121.977 121.223 0.147 0.000 2.046 178 L HA -0.053 4.292 4.340 0.009 0.000 0.208 178 L C 2.222 179.134 176.870 0.070 0.000 1.077 178 L CA 2.155 57.107 54.840 0.187 0.000 0.747 178 L CB -0.699 41.565 42.059 0.342 0.000 0.896 178 L HN 0.256 nan 8.230 nan 0.000 0.432 179 A N -0.746 121.917 122.820 -0.261 0.000 1.969 179 A HA -0.101 4.225 4.320 0.009 0.000 0.218 179 A C 2.191 179.711 177.584 -0.108 0.000 1.169 179 A CA 1.625 53.334 52.037 -0.547 0.000 0.635 179 A CB -0.745 17.641 19.000 -1.023 0.000 0.810 179 A HN 0.513 nan 8.150 nan 0.000 0.445 180 L N -1.043 120.137 121.223 -0.072 0.000 2.141 180 L HA -0.207 4.138 4.340 0.009 0.000 0.209 180 L C 2.718 179.638 176.870 0.084 0.000 1.094 180 L CA 1.263 56.103 54.840 0.001 0.000 0.763 180 L CB -0.712 41.309 42.059 -0.063 0.000 0.908 180 L HN 0.485 nan 8.230 nan 0.000 0.437 181 Q N -0.866 118.995 119.800 0.102 0.000 2.083 181 Q HA -0.230 4.115 4.340 0.009 0.000 0.198 181 Q C 2.049 178.143 176.000 0.157 0.000 0.969 181 Q CA 1.724 57.596 55.803 0.115 0.000 0.838 181 Q CB -0.268 28.542 28.738 0.119 0.000 0.900 181 Q HN 0.539 nan 8.270 nan 0.000 0.436 182 W N 0.728 122.043 121.300 0.024 0.000 2.342 182 W HA -0.229 4.436 4.660 0.009 0.000 0.297 182 W C 1.786 178.336 176.519 0.052 0.000 1.213 182 W CA 1.296 58.675 57.345 0.056 0.000 1.251 182 W CB -0.029 29.464 29.460 0.056 0.000 1.136 182 W HN -0.146 nan 8.180 nan 0.000 0.526 183 V N 0.787 120.917 119.914 0.360 0.000 2.358 183 V HA -0.315 3.811 4.120 0.009 0.000 0.246 183 V C 2.539 178.649 176.094 0.026 0.000 1.047 183 V CA 1.967 64.398 62.300 0.218 0.000 1.035 183 V CB -0.915 31.056 31.823 0.247 0.000 0.658 183 V HN 0.185 nan 8.190 nan 0.000 0.452 184 Q N -0.172 119.654 119.800 0.043 0.000 2.096 184 Q HA -0.261 4.084 4.340 0.009 0.000 0.204 184 Q C 2.234 178.205 176.000 -0.048 0.000 0.982 184 Q CA 2.106 57.920 55.803 0.018 0.000 0.850 184 Q CB -0.215 28.543 28.738 0.032 0.000 0.901 184 Q HN 0.813 nan 8.270 nan 0.000 0.422 185 E N -0.319 119.815 120.200 -0.110 0.000 2.170 185 E HA -0.053 4.302 4.350 0.009 0.000 0.191 185 E C 1.107 177.550 176.600 -0.262 0.000 0.981 185 E CA 0.529 56.832 56.400 -0.161 0.000 0.830 185 E CB 0.334 29.943 29.700 -0.152 0.000 0.775 185 E HN 0.275 nan 8.360 nan 0.000 0.470 186 N N 0.057 118.485 118.700 -0.453 0.000 2.227 186 N HA 0.001 4.747 4.740 0.009 0.000 0.196 186 N C 1.411 176.779 175.510 -0.236 0.000 1.142 186 N CA 0.042 52.780 53.050 -0.521 0.000 0.887 186 N CB 0.424 38.214 38.487 -1.161 0.000 1.022 186 N HN 0.139 nan 8.380 nan 0.000 0.500 187 I N 2.310 122.805 120.570 -0.125 0.000 2.567 187 I HA -0.103 4.072 4.170 0.009 0.000 0.257 187 I C 2.122 178.344 176.117 0.175 0.000 1.184 187 I CA 0.499 61.880 61.300 0.134 0.000 1.451 187 I CB -0.229 37.842 38.000 0.118 0.000 1.089 187 I HN 0.046 nan 8.210 nan 0.000 0.441 188 A N 0.161 123.006 122.820 0.042 0.000 2.019 188 A HA -0.069 4.257 4.320 0.009 0.000 0.219 188 A C 2.460 180.031 177.584 -0.022 0.000 1.164 188 A CA 1.393 53.441 52.037 0.018 0.000 0.644 188 A CB -0.983 18.004 19.000 -0.022 0.000 0.805 188 A HN 0.452 nan 8.150 nan 0.000 0.449 189 A N -1.434 121.325 122.820 -0.102 0.000 2.070 189 A HA 0.068 4.393 4.320 0.009 0.000 0.220 189 A C 1.473 178.802 177.584 -0.424 0.000 1.159 189 A CA 1.173 53.025 52.037 -0.308 0.000 0.656 189 A CB -0.619 18.080 19.000 -0.501 0.000 0.800 189 A HN 0.507 nan 8.150 nan 0.000 0.453 190 F N -1.579 118.325 119.950 -0.078 0.000 2.695 190 F HA 0.397 4.930 4.527 0.009 0.000 0.303 190 F C 1.752 177.565 175.800 0.021 0.000 1.091 190 F CA 0.478 58.456 58.000 -0.037 0.000 1.300 190 F CB 0.377 39.375 39.000 -0.003 0.000 1.071 190 F HN 0.313 nan 8.300 nan 0.000 0.578 191 G N 0.229 109.114 108.800 0.142 0.000 2.175 191 G HA2 -0.179 3.786 3.960 0.009 0.000 0.244 191 G HA3 -0.179 3.786 3.960 0.009 0.000 0.244 191 G C 0.624 175.593 174.900 0.114 0.000 0.982 191 G CA -0.289 44.873 45.100 0.105 0.000 0.641 191 G HN 0.710 nan 8.290 nan 0.000 0.527 192 G N -0.314 108.576 108.800 0.150 0.000 2.420 192 G HA2 0.474 4.440 3.960 0.009 0.000 0.284 192 G HA3 0.474 4.440 3.960 0.009 0.000 0.284 192 G C -0.666 174.284 174.900 0.083 0.000 1.177 192 G CA 0.302 45.477 45.100 0.125 0.000 0.841 192 G HN 0.223 nan 8.290 nan 0.000 0.527 193 D N 1.962 122.399 120.400 0.062 0.000 2.380 193 D HA 0.238 4.883 4.640 0.009 0.000 0.230 193 D C -1.035 175.294 176.300 0.048 0.000 1.154 193 D CA -2.386 51.634 54.000 0.033 0.000 0.859 193 D CB 1.794 42.595 40.800 0.001 0.000 1.045 193 D HN 0.079 nan 8.370 nan 0.000 0.495 194 P HA -0.084 nan 4.420 nan 0.000 0.230 194 P C 1.089 178.473 177.300 0.141 0.000 1.158 194 P CA 0.657 63.814 63.100 0.095 0.000 0.769 194 P CB 0.163 31.900 31.700 0.062 0.000 0.807 195 M N -1.371 118.237 119.600 0.013 0.000 2.495 195 M HA 0.098 4.583 4.480 0.009 0.000 0.237 195 M C 0.652 176.586 176.300 -0.610 0.000 1.131 195 M CA 0.456 55.657 55.300 -0.164 0.000 1.032 195 M CB 0.200 32.717 32.600 -0.138 0.000 1.513 195 M HN -0.177 nan 8.290 nan 0.000 0.488 196 S N 1.097 116.649 115.700 -0.247 0.000 2.279 196 S HA 0.439 4.914 4.470 0.009 0.000 0.176 196 S C -1.017 173.653 174.600 0.118 0.000 1.554 196 S CA -0.480 57.606 58.200 -0.190 0.000 1.242 196 S CB 0.543 63.663 63.200 -0.132 0.000 1.163 196 S HN 0.011 nan 8.310 nan 0.000 0.449 197 V N 4.014 124.199 119.914 0.451 0.000 2.444 197 V HA 0.535 4.660 4.120 0.009 0.000 0.294 197 V C 0.011 176.298 176.094 0.322 0.000 1.022 197 V CA -0.457 62.047 62.300 0.341 0.000 0.850 197 V CB 1.894 33.904 31.823 0.313 0.000 0.992 197 V HN 0.708 nan 8.190 nan 0.000 0.426 198 T N 6.650 121.332 114.554 0.214 0.000 2.779 198 T HA 0.598 4.953 4.350 0.009 0.000 0.280 198 T C -0.251 174.575 174.700 0.210 0.000 0.987 198 T CA -0.319 61.903 62.100 0.203 0.000 0.966 198 T CB 0.851 69.789 68.868 0.117 0.000 0.933 198 T HN 0.346 nan 8.240 nan 0.000 0.442 199 L N 5.060 126.374 121.223 0.152 0.000 2.292 199 L HA 0.679 5.024 4.340 0.009 0.000 0.284 199 L C -0.438 176.617 176.870 0.309 0.000 1.065 199 L CA -0.868 54.035 54.840 0.105 0.000 0.806 199 L CB 0.366 42.271 42.059 -0.258 0.000 1.175 199 L HN 0.622 nan 8.230 nan 0.000 0.431 200 F N 0.767 120.785 119.950 0.113 0.000 2.588 200 F HA 0.976 5.508 4.527 0.009 0.000 0.310 200 F C -0.268 175.533 175.800 0.001 0.000 1.082 200 F CA -1.317 56.806 58.000 0.205 0.000 0.929 200 F CB 1.672 40.947 39.000 0.459 0.000 1.254 200 F HN 0.471 nan 8.300 nan 0.000 0.455 201 G N 1.166 109.885 108.800 -0.135 0.000 2.576 201 G HA2 0.493 4.459 3.960 0.009 0.000 0.290 201 G HA3 0.493 4.459 3.960 0.009 0.000 0.290 201 G C -2.522 172.149 174.900 -0.381 0.000 1.442 201 G CA -0.803 43.748 45.100 -0.916 0.000 0.792 201 G HN 0.870 nan 8.290 nan 0.000 0.491 202 E N 0.124 120.042 120.200 -0.470 0.000 2.266 202 E HA 0.622 4.978 4.350 0.009 0.000 0.268 202 E C 0.617 177.146 176.600 -0.118 0.000 0.879 202 E CA 0.223 56.584 56.400 -0.065 0.000 0.762 202 E CB 2.217 32.029 29.700 0.186 0.000 1.199 202 E HN 0.795 nan 8.360 nan 0.000 0.422 203 S N 2.455 118.154 115.700 -0.002 0.000 4.139 203 S HA -0.395 4.080 4.470 0.009 0.000 0.603 203 S C 1.444 176.128 174.600 0.139 0.000 1.897 203 S CA 2.086 60.359 58.200 0.123 0.000 4.241 203 S CB -1.576 61.631 63.200 0.012 0.000 0.221 203 S HN 0.927 nan 8.310 nan 0.000 0.488 204 A N 1.037 123.785 122.820 -0.120 0.000 2.019 204 A HA 0.185 4.511 4.320 0.009 0.000 0.219 204 A C 2.406 179.716 177.584 -0.456 0.000 1.164 204 A CA 2.315 54.074 52.037 -0.464 0.000 0.644 204 A CB -1.459 16.744 19.000 -1.327 0.000 0.805 204 A HN 1.484 nan 8.150 nan 0.000 0.449 205 G N -0.510 108.070 108.800 -0.367 0.000 2.402 205 G HA2 0.036 4.002 3.960 0.009 0.000 0.216 205 G HA3 0.036 4.002 3.960 0.009 0.000 0.216 205 G C 1.715 176.426 174.900 -0.314 0.000 1.162 205 G CA 1.271 46.104 45.100 -0.446 0.000 0.777 205 G HN 0.735 nan 8.290 nan 0.000 0.539 206 A N 1.244 123.954 122.820 -0.183 0.000 1.873 206 A HA 0.319 4.644 4.320 0.009 0.000 0.215 206 A C 2.820 180.381 177.584 -0.038 0.000 1.186 206 A CA 2.159 54.156 52.037 -0.065 0.000 0.616 206 A CB -0.841 18.182 19.000 0.039 0.000 0.823 206 A HN 0.767 nan 8.150 nan 0.000 0.442 207 A N -0.554 122.269 122.820 0.006 0.000 1.933 207 A HA -0.078 4.247 4.320 0.009 0.000 0.218 207 A C 2.427 180.003 177.584 -0.014 0.000 1.175 207 A CA 2.089 54.116 52.037 -0.017 0.000 0.628 207 A CB -0.819 18.180 19.000 -0.002 0.000 0.814 207 A HN 0.444 nan 8.150 nan 0.000 0.444 208 S N -0.556 115.130 115.700 -0.023 0.000 2.356 208 S HA -0.134 4.341 4.470 0.009 0.000 0.223 208 S C 1.898 176.435 174.600 -0.105 0.000 1.032 208 S CA 1.403 59.547 58.200 -0.093 0.000 1.005 208 S CB -0.476 62.614 63.200 -0.183 0.000 0.867 208 S HN 0.346 nan 8.310 nan 0.000 0.449 209 V N 1.621 121.495 119.914 -0.066 0.000 2.332 209 V HA -0.175 3.950 4.120 0.009 0.000 0.248 209 V C 2.556 178.634 176.094 -0.027 0.000 1.055 209 V CA 1.974 64.249 62.300 -0.041 0.000 1.038 209 V CB -1.387 30.386 31.823 -0.083 0.000 0.651 209 V HN 0.605 nan 8.190 nan 0.000 0.450 210 G N -1.104 107.673 108.800 -0.038 0.000 2.422 210 G HA2 -0.253 3.712 3.960 0.009 0.000 0.218 210 G HA3 -0.253 3.712 3.960 0.009 0.000 0.218 210 G C 1.596 176.498 174.900 0.003 0.000 1.146 210 G CA 0.906 45.990 45.100 -0.028 0.000 0.769 210 G HN 0.452 nan 8.290 nan 0.000 0.547 211 M N -0.212 119.366 119.600 -0.037 0.000 2.319 211 M HA 0.046 4.531 4.480 0.009 0.000 0.265 211 M C 2.238 178.606 176.300 0.113 0.000 1.068 211 M CA 0.722 56.032 55.300 0.017 0.000 1.118 211 M CB -0.177 32.382 32.600 -0.069 0.000 1.395 211 M HN 0.189 nan 8.290 nan 0.000 0.435 212 H N -0.061 119.128 119.070 0.198 0.000 2.428 212 H HA 0.021 4.582 4.556 0.009 0.000 0.296 212 H C 2.079 177.609 175.328 0.336 0.000 1.062 212 H CA 1.299 57.484 56.048 0.229 0.000 1.350 212 H CB -0.178 29.596 29.762 0.020 0.000 1.403 212 H HN 0.411 nan 8.280 nan 0.000 0.533 213 I N 0.624 121.434 120.570 0.400 0.000 2.394 213 I HA -0.204 3.971 4.170 0.009 0.000 0.251 213 I C 1.671 177.962 176.117 0.291 0.000 1.136 213 I CA 0.917 62.479 61.300 0.436 0.000 1.425 213 I CB -0.009 38.154 38.000 0.273 0.000 1.079 213 I HN 0.107 nan 8.210 nan 0.000 0.425 214 L N -0.788 120.562 121.223 0.211 0.000 2.592 214 L HA 0.110 4.455 4.340 0.009 0.000 0.227 214 L C 0.871 177.798 176.870 0.094 0.000 1.127 214 L CA 0.064 55.009 54.840 0.175 0.000 0.884 214 L CB 0.029 42.171 42.059 0.138 0.000 1.065 214 L HN -0.001 nan 8.230 nan 0.000 0.457 215 S N -0.028 115.703 115.700 0.052 0.000 2.594 215 S HA 0.223 4.699 4.470 0.009 0.000 0.322 215 S C 0.729 175.268 174.600 -0.102 0.000 1.085 215 S CA -0.615 57.500 58.200 -0.142 0.000 1.116 215 S CB 1.106 63.982 63.200 -0.540 0.000 0.979 215 S HN 0.143 nan 8.310 nan 0.000 0.465 216 L N 7.560 128.729 121.223 -0.090 0.000 2.010 216 L HA 0.008 4.353 4.340 0.009 0.000 0.219 216 L C -1.108 175.718 176.870 -0.074 0.000 1.077 216 L CA 2.381 57.180 54.840 -0.068 0.000 0.773 216 L CB -1.332 40.687 42.059 -0.067 0.000 0.892 216 L HN 0.492 nan 8.230 nan 0.000 0.436 217 P HA -0.072 nan 4.420 nan 0.000 0.223 217 P C 1.479 178.766 177.300 -0.022 0.000 1.144 217 P CA 1.360 64.416 63.100 -0.073 0.000 0.783 217 P CB 0.015 31.656 31.700 -0.099 0.000 0.771 218 S N -1.227 114.483 115.700 0.017 0.000 2.486 218 S HA 0.057 4.533 4.470 0.009 0.000 0.220 218 S C 1.747 176.440 174.600 0.154 0.000 1.011 218 S CA 0.127 58.431 58.200 0.174 0.000 0.921 218 S CB -0.249 63.197 63.200 0.411 0.000 0.785 218 S HN 0.058 nan 8.310 nan 0.000 0.517 219 R N 2.261 122.757 120.500 -0.007 0.000 2.127 219 R HA -0.029 4.316 4.340 0.009 0.000 0.238 219 R C 2.231 178.299 176.300 -0.386 0.000 1.134 219 R CA 1.511 57.444 56.100 -0.279 0.000 0.975 219 R CB -1.317 28.877 30.300 -0.176 0.000 0.865 219 R HN 0.575 nan 8.270 nan 0.000 0.447 220 S N -0.160 115.421 115.700 -0.198 0.000 2.650 220 S HA 0.111 4.586 4.470 0.009 0.000 0.219 220 S C 1.583 176.086 174.600 -0.163 0.000 0.960 220 S CA 0.037 58.130 58.200 -0.178 0.000 0.925 220 S CB -0.153 62.994 63.200 -0.088 0.000 0.775 220 S HN 0.225 nan 8.310 nan 0.000 0.525 221 L N 0.367 121.517 121.223 -0.122 0.000 2.693 221 L HA 0.500 4.845 4.340 0.009 0.000 0.235 221 L C 0.043 176.929 176.870 0.027 0.000 1.127 221 L CA -0.361 54.475 54.840 -0.006 0.000 0.914 221 L CB -0.121 41.990 42.059 0.088 0.000 1.193 221 L HN 0.525 nan 8.230 nan 0.000 0.502 222 F N -3.979 115.769 119.950 -0.336 0.000 2.741 222 F HA 0.477 5.009 4.527 0.008 0.000 0.313 222 F C 0.387 175.813 175.800 -0.622 0.000 1.153 222 F CA -0.971 56.795 58.000 -0.391 0.000 0.931 222 F CB 0.863 39.791 39.000 -0.120 0.000 1.335 222 F HN -0.146 nan 8.300 nan 0.000 0.460 223 H N -0.693 118.473 119.070 0.160 0.000 3.091 223 H HA 0.445 5.007 4.556 0.009 0.000 0.249 223 H C -0.073 175.323 175.328 0.114 0.000 0.985 223 H CA -0.088 55.963 56.048 0.005 0.000 1.177 223 H CB 1.019 30.773 29.762 -0.012 0.000 1.456 223 H HN 0.418 nan 8.280 nan 0.000 0.467 224 R N 0.303 121.024 120.500 0.369 0.000 2.836 224 R HA 0.741 5.086 4.340 0.009 0.000 0.269 224 R C -1.360 175.196 176.300 0.428 0.000 1.010 224 R CA -0.705 55.577 56.100 0.304 0.000 0.930 224 R CB 2.916 33.208 30.300 -0.013 0.000 1.218 224 R HN 0.148 nan 8.270 nan 0.000 0.473 225 A N 0.925 124.015 122.820 0.449 0.000 2.520 225 A HA 0.641 4.967 4.320 0.009 0.000 0.298 225 A C -1.514 176.198 177.584 0.213 0.000 1.051 225 A CA -0.586 51.627 52.037 0.293 0.000 0.690 225 A CB 1.885 21.006 19.000 0.201 0.000 1.281 225 A HN 0.305 nan 8.150 nan 0.000 0.402 226 V N 2.065 122.072 119.914 0.155 0.000 2.487 226 V HA 0.528 4.654 4.120 0.009 0.000 0.298 226 V C -1.131 175.056 176.094 0.154 0.000 1.028 226 V CA -0.327 62.014 62.300 0.067 0.000 0.860 226 V CB 1.252 33.147 31.823 0.120 0.000 0.991 226 V HN 0.680 nan 8.190 nan 0.000 0.427 227 L N 5.135 126.419 121.223 0.101 0.000 2.318 227 L HA 0.506 4.851 4.340 0.009 0.000 0.277 227 L C 0.027 177.001 176.870 0.173 0.000 1.008 227 L CA 0.042 54.941 54.840 0.098 0.000 0.846 227 L CB 1.551 43.619 42.059 0.016 0.000 1.220 227 L HN 0.623 nan 8.230 nan 0.000 0.423 228 Q N 2.097 122.053 119.800 0.260 0.000 2.360 228 Q HA 0.418 4.764 4.340 0.009 0.000 0.254 228 Q C 0.136 176.263 176.000 0.210 0.000 0.975 228 Q CA -0.464 55.547 55.803 0.346 0.000 0.912 228 Q CB 1.120 30.151 28.738 0.489 0.000 1.212 228 Q HN 0.632 nan 8.270 nan 0.000 0.452 229 S N 1.042 116.854 115.700 0.186 0.000 3.706 229 S HA -0.159 4.317 4.470 0.009 0.000 0.363 229 S C 0.027 174.807 174.600 0.301 0.000 0.999 229 S CA 0.497 58.829 58.200 0.219 0.000 1.143 229 S CB -1.213 62.100 63.200 0.187 0.000 0.902 229 S HN 0.988 nan 8.310 nan 0.000 0.476 230 G N -0.388 108.549 108.800 0.229 0.000 2.616 230 G HA2 0.674 4.639 3.960 0.009 0.000 0.294 230 G HA3 0.674 4.639 3.960 0.009 0.000 0.294 230 G C -0.902 174.062 174.900 0.106 0.000 1.489 230 G CA 0.208 45.494 45.100 0.310 0.000 0.836 230 G HN 0.995 nan 8.290 nan 0.000 0.527 231 T N -1.463 113.091 114.554 0.001 0.000 2.868 231 T HA 0.746 5.101 4.350 0.009 0.000 0.306 231 T C -2.441 172.109 174.700 -0.250 0.000 1.224 231 T CA -1.288 60.735 62.100 -0.127 0.000 1.012 231 T CB 3.019 71.799 68.868 -0.147 0.000 1.221 231 T HN 0.287 nan 8.240 nan 0.000 0.499 232 P HA 0.035 nan 4.420 nan 0.000 0.224 232 P C 0.131 177.273 177.300 -0.264 0.000 1.157 232 P CA 0.507 63.481 63.100 -0.209 0.000 0.799 232 P CB 0.018 31.647 31.700 -0.117 0.000 0.809 233 N N 0.516 119.070 118.700 -0.242 0.000 2.413 233 N HA 0.385 5.131 4.740 0.009 0.000 0.266 233 N C 0.637 175.938 175.510 -0.349 0.000 1.238 233 N CA 0.197 53.104 53.050 -0.237 0.000 0.972 233 N CB 0.715 39.105 38.487 -0.162 0.000 1.210 233 N HN 0.147 nan 8.380 nan 0.000 0.547 234 G N -0.712 107.896 108.800 -0.321 0.000 2.479 234 G HA2 -0.098 3.867 3.960 0.009 0.000 0.686 234 G HA3 -0.098 3.867 3.960 0.009 0.000 0.686 234 G C -2.185 172.464 174.900 -0.419 0.000 1.295 234 G CA -0.275 44.581 45.100 -0.406 0.000 0.922 234 G HN 0.538 nan 8.290 nan 0.000 0.582 235 P HA 0.068 nan 4.420 nan 0.000 0.233 235 P C 1.293 178.516 177.300 -0.128 0.000 1.167 235 P CA 2.077 65.017 63.100 -0.268 0.000 0.770 235 P CB -0.046 31.449 31.700 -0.341 0.000 0.837 236 W N -1.950 119.250 121.300 -0.167 0.000 2.773 236 W HA 0.553 5.218 4.660 0.008 0.000 0.297 236 W C 1.170 177.770 176.519 0.136 0.000 1.050 236 W CA 0.429 57.768 57.345 -0.009 0.000 1.467 236 W CB -0.767 28.745 29.460 0.085 0.000 0.977 236 W HN -0.160 nan 8.180 nan 0.000 0.573 237 A N 2.076 124.523 122.820 -0.621 0.000 2.066 237 A HA 0.086 4.412 4.320 0.009 0.000 0.218 237 A C 1.184 178.612 177.584 -0.260 0.000 1.157 237 A CA 2.030 53.805 52.037 -0.436 0.000 0.670 237 A CB -0.837 17.678 19.000 -0.808 0.000 0.804 237 A HN 0.275 nan 8.150 nan 0.000 0.453 238 T N -3.582 110.833 114.554 -0.232 0.000 2.864 238 T HA 0.608 4.963 4.350 0.009 0.000 0.299 238 T C -0.656 173.964 174.700 -0.133 0.000 1.166 238 T CA -0.130 61.846 62.100 -0.205 0.000 1.007 238 T CB 1.454 70.211 68.868 -0.185 0.000 1.219 238 T HN 0.888 nan 8.240 nan 0.000 0.506 239 V N -1.172 118.673 119.914 -0.114 0.000 3.102 239 V HA 0.919 5.045 4.120 0.009 0.000 0.312 239 V C 0.350 176.404 176.094 -0.066 0.000 1.135 239 V CA -0.832 61.419 62.300 -0.083 0.000 1.022 239 V CB 1.316 33.090 31.823 -0.082 0.000 1.056 239 V HN 1.388 nan 8.190 nan 0.000 0.436 240 S N 1.416 117.085 115.700 -0.053 0.000 2.600 240 S HA 0.593 5.069 4.470 0.009 0.000 0.265 240 S C 1.348 175.930 174.600 -0.030 0.000 1.325 240 S CA 0.107 58.283 58.200 -0.039 0.000 1.002 240 S CB 1.212 64.391 63.200 -0.035 0.000 0.921 240 S HN 1.908 nan 8.310 nan 0.000 0.554 241 A N 1.781 124.589 122.820 -0.020 0.000 1.933 241 A HA 0.150 4.476 4.320 0.009 0.000 0.218 241 A C 2.198 179.773 177.584 -0.014 0.000 1.175 241 A CA 1.612 53.642 52.037 -0.012 0.000 0.628 241 A CB -1.816 17.180 19.000 -0.006 0.000 0.814 241 A HN 1.141 nan 8.150 nan 0.000 0.444 242 G N -0.321 108.468 108.800 -0.018 0.000 2.421 242 G HA2 -0.266 3.700 3.960 0.009 0.000 0.216 242 G HA3 -0.266 3.700 3.960 0.009 0.000 0.216 242 G C 1.466 176.352 174.900 -0.024 0.000 1.171 242 G CA 1.390 46.479 45.100 -0.019 0.000 0.775 242 G HN 0.567 nan 8.290 nan 0.000 0.543 243 E N 1.027 121.208 120.200 -0.032 0.000 2.110 243 E HA 0.037 4.392 4.350 0.009 0.000 0.193 243 E C 2.645 179.214 176.600 -0.051 0.000 0.988 243 E CA 1.476 57.849 56.400 -0.045 0.000 0.804 243 E CB -0.568 29.099 29.700 -0.054 0.000 0.745 243 E HN 0.291 nan 8.360 nan 0.000 0.458 244 A N 0.806 123.605 122.820 -0.036 0.000 1.898 244 A HA -0.164 4.161 4.320 0.009 0.000 0.216 244 A C 2.297 179.887 177.584 0.009 0.000 1.181 244 A CA 1.728 53.757 52.037 -0.013 0.000 0.620 244 A CB -0.615 18.393 19.000 0.014 0.000 0.819 244 A HN 0.280 nan 8.150 nan 0.000 0.442 245 R N -0.521 119.977 120.500 -0.003 0.000 2.073 245 R HA -0.138 4.207 4.340 0.009 0.000 0.234 245 R C 2.454 178.751 176.300 -0.005 0.000 1.134 245 R CA 1.631 57.728 56.100 -0.006 0.000 0.952 245 R CB -0.350 29.943 30.300 -0.012 0.000 0.850 245 R HN 0.510 nan 8.270 nan 0.000 0.433 246 R N 0.450 120.942 120.500 -0.014 0.000 2.080 246 R HA -0.164 4.182 4.340 0.009 0.000 0.236 246 R C 2.298 178.591 176.300 -0.010 0.000 1.137 246 R CA 2.091 58.182 56.100 -0.015 0.000 0.943 246 R CB -0.144 30.142 30.300 -0.024 0.000 0.846 246 R HN 0.287 nan 8.270 nan 0.000 0.431 247 R N -0.322 120.160 120.500 -0.030 0.000 2.096 247 R HA -0.078 4.267 4.340 0.009 0.000 0.235 247 R C 2.331 178.693 176.300 0.105 0.000 1.127 247 R CA 1.306 57.382 56.100 -0.040 0.000 0.968 247 R CB -0.310 29.843 30.300 -0.244 0.000 0.861 247 R HN 0.268 nan 8.270 nan 0.000 0.440 248 A N 0.656 123.561 122.820 0.141 0.000 1.898 248 A HA -0.186 4.140 4.320 0.009 0.000 0.216 248 A C 2.312 179.913 177.584 0.027 0.000 1.181 248 A CA 2.029 54.144 52.037 0.130 0.000 0.620 248 A CB -0.944 18.074 19.000 0.030 0.000 0.819 248 A HN 0.453 nan 8.150 nan 0.000 0.442 249 T N -1.536 113.022 114.554 0.007 0.000 2.867 249 T HA -0.112 4.243 4.350 0.009 0.000 0.268 249 T C 1.792 176.495 174.700 0.005 0.000 1.057 249 T CA 1.558 63.652 62.100 -0.010 0.000 1.136 249 T CB -0.397 68.462 68.868 -0.015 0.000 0.874 249 T HN 0.251 nan 8.240 nan 0.000 0.466 250 L N 0.675 121.912 121.223 0.024 0.000 2.083 250 L HA 0.233 4.578 4.340 0.009 0.000 0.209 250 L C 2.277 179.178 176.870 0.051 0.000 1.083 250 L CA 1.639 56.499 54.840 0.033 0.000 0.752 250 L CB -1.173 40.908 42.059 0.036 0.000 0.899 250 L HN 0.430 nan 8.230 nan 0.000 0.433 251 L N -0.316 120.957 121.223 0.083 0.000 2.056 251 L HA -0.050 4.295 4.340 0.009 0.000 0.207 251 L C 2.507 179.378 176.870 0.002 0.000 1.078 251 L CA 1.839 56.733 54.840 0.091 0.000 0.749 251 L CB -0.753 41.400 42.059 0.157 0.000 0.901 251 L HN 0.265 nan 8.230 nan 0.000 0.433 252 A N -0.097 122.709 122.820 -0.022 0.000 1.865 252 A HA -0.251 4.074 4.320 0.009 0.000 0.217 252 A C 2.411 179.969 177.584 -0.044 0.000 1.191 252 A CA 1.987 53.995 52.037 -0.048 0.000 0.623 252 A CB -0.673 18.293 19.000 -0.056 0.000 0.826 252 A HN 0.495 nan 8.150 nan 0.000 0.444 253 R N -0.663 119.820 120.500 -0.028 0.000 2.096 253 R HA -0.136 4.210 4.340 0.009 0.000 0.240 253 R C 2.078 178.349 176.300 -0.048 0.000 1.139 253 R CA 1.683 57.767 56.100 -0.027 0.000 0.952 253 R CB -0.718 29.576 30.300 -0.011 0.000 0.854 253 R HN 0.561 nan 8.270 nan 0.000 0.436 254 L N 0.875 122.065 121.223 -0.056 0.000 2.261 254 L HA -0.122 4.223 4.340 0.009 0.000 0.216 254 L C 2.050 178.734 176.870 -0.310 0.000 1.114 254 L CA 0.799 55.561 54.840 -0.130 0.000 0.777 254 L CB -0.264 41.762 42.059 -0.055 0.000 0.910 254 L HN 0.154 nan 8.230 nan 0.000 0.440 255 V N -4.041 115.734 119.914 -0.232 0.000 3.621 255 V HA 0.487 4.612 4.120 0.009 0.000 0.285 255 V C 0.989 177.027 176.094 -0.092 0.000 1.346 255 V CA 0.088 62.263 62.300 -0.208 0.000 1.104 255 V CB -0.335 31.406 31.823 -0.137 0.000 0.913 255 V HN 0.388 nan 8.190 nan 0.000 0.432 256 G N -0.365 108.391 108.800 -0.073 0.000 2.545 256 G HA2 -0.166 3.800 3.960 0.009 0.000 0.279 256 G HA3 -0.166 3.800 3.960 0.009 0.000 0.279 256 G C -0.297 174.587 174.900 -0.026 0.000 1.131 256 G CA -0.062 45.015 45.100 -0.038 0.000 1.100 256 G HN 0.728 nan 8.290 nan 0.000 0.525 266 D N 1.724 122.114 120.400 -0.016 0.000 2.123 266 D HA -0.108 4.538 4.640 0.009 0.000 0.196 266 D C 1.440 177.727 176.300 -0.021 0.000 0.992 266 D CA 1.874 55.860 54.000 -0.025 0.000 0.833 266 D CB -0.035 40.750 40.800 -0.026 0.000 0.954 266 D HN 0.622 nan 8.370 nan 0.000 0.455 267 T N 1.237 115.786 114.554 -0.009 0.000 2.699 267 T HA -0.179 4.177 4.350 0.009 0.000 0.268 267 T C 1.819 176.520 174.700 0.002 0.000 1.036 267 T CA 1.441 63.542 62.100 0.001 0.000 1.147 267 T CB -0.246 68.626 68.868 0.006 0.000 0.862 267 T HN 0.344 nan 8.240 nan 0.000 0.446 268 E N 0.607 120.806 120.200 -0.002 0.000 2.072 268 E HA -0.011 4.344 4.350 0.009 0.000 0.191 268 E C 2.235 178.832 176.600 -0.005 0.000 0.985 268 E CA 0.652 57.052 56.400 -0.000 0.000 0.801 268 E CB -0.280 29.419 29.700 -0.002 0.000 0.750 268 E HN 0.356 nan 8.360 nan 0.000 0.452 269 L N 1.006 122.219 121.223 -0.017 0.000 1.989 269 L HA -0.218 4.128 4.340 0.009 0.000 0.211 269 L C 2.285 179.133 176.870 -0.037 0.000 1.071 269 L CA 1.406 56.227 54.840 -0.032 0.000 0.749 269 L CB -0.132 41.900 42.059 -0.046 0.000 0.890 269 L HN 0.127 nan 8.230 nan 0.000 0.431 270 I N -0.054 120.491 120.570 -0.043 0.000 2.226 270 I HA -0.289 3.886 4.170 0.009 0.000 0.245 270 I C 2.740 178.897 176.117 0.067 0.000 1.100 270 I CA 1.168 62.450 61.300 -0.029 0.000 1.374 270 I CB -0.570 37.414 38.000 -0.025 0.000 1.057 270 I HN 0.352 nan 8.210 nan 0.000 0.413 271 A N -0.383 122.465 122.820 0.047 0.000 1.933 271 A HA -0.286 4.039 4.320 0.009 0.000 0.218 271 A C 2.518 180.133 177.584 0.051 0.000 1.175 271 A CA 1.925 53.995 52.037 0.054 0.000 0.628 271 A CB -1.281 17.738 19.000 0.032 0.000 0.814 271 A HN 0.640 nan 8.150 nan 0.000 0.444 272 c N -0.676 117.945 118.600 0.034 0.000 2.466 272 c HA 0.068 4.644 4.570 0.009 0.000 0.278 272 c C 2.561 176.678 174.090 0.045 0.000 1.288 272 c CA 0.957 57.302 56.329 0.027 0.000 1.722 272 c CB -1.531 40.984 42.510 0.008 0.000 2.017 272 c HN 0.582 nan 8.230 nan 0.000 0.488 273 L N 0.493 121.752 121.223 0.060 0.000 2.079 273 L HA -0.124 4.221 4.340 0.009 0.000 0.210 273 L C 2.956 179.940 176.870 0.191 0.000 1.081 273 L CA 1.539 56.447 54.840 0.115 0.000 0.752 273 L CB -0.628 41.484 42.059 0.089 0.000 0.896 273 L HN 0.363 nan 8.230 nan 0.000 0.433 274 R N -0.582 120.034 120.500 0.192 0.000 2.237 274 R HA -0.103 4.242 4.340 0.009 0.000 0.219 274 R C 2.113 178.437 176.300 0.040 0.000 1.080 274 R CA 1.617 57.778 56.100 0.100 0.000 0.995 274 R CB -0.361 29.984 30.300 0.075 0.000 0.875 274 R HN 0.512 nan 8.270 nan 0.000 0.462 275 T N -1.650 112.931 114.554 0.044 0.000 3.081 275 T HA 0.111 4.467 4.350 0.009 0.000 0.255 275 T C 0.899 175.612 174.700 0.022 0.000 1.113 275 T CA -0.120 61.994 62.100 0.024 0.000 1.082 275 T CB 0.159 69.040 68.868 0.021 0.000 0.939 275 T HN -0.124 nan 8.240 nan 0.000 0.506 276 R N 2.684 123.204 120.500 0.033 0.000 2.490 276 R HA 0.388 4.734 4.340 0.009 0.000 0.280 276 R C -2.710 173.605 176.300 0.024 0.000 1.077 276 R CA -2.521 53.599 56.100 0.032 0.000 1.065 276 R CB -0.284 30.041 30.300 0.041 0.000 1.003 276 R HN 0.244 nan 8.270 nan 0.000 0.470 277 P HA 0.019 nan 4.420 nan 0.000 0.268 277 P C 0.274 177.563 177.300 -0.020 0.000 1.205 277 P CA 0.149 63.242 63.100 -0.012 0.000 0.771 277 P CB 0.608 32.313 31.700 0.009 0.000 0.858 278 A N 2.661 125.393 122.820 -0.148 0.000 1.948 278 A HA -0.284 4.042 4.320 0.009 0.000 0.220 278 A C 2.135 179.683 177.584 -0.061 0.000 1.177 278 A CA 1.900 53.819 52.037 -0.196 0.000 0.636 278 A CB -1.210 17.125 19.000 -1.109 0.000 0.815 278 A HN 0.539 nan 8.150 nan 0.000 0.449 279 Q N -0.107 119.642 119.800 -0.085 0.000 2.224 279 Q HA -0.142 4.203 4.340 0.009 0.000 0.203 279 Q C 1.145 177.271 176.000 0.210 0.000 0.970 279 Q CA 1.843 57.762 55.803 0.194 0.000 0.865 279 Q CB -0.336 28.527 28.738 0.208 0.000 0.922 279 Q HN 0.648 nan 8.270 nan 0.000 0.445 280 D N -0.806 119.693 120.400 0.165 0.000 2.178 280 D HA -0.085 4.560 4.640 0.009 0.000 0.202 280 D C 1.550 178.016 176.300 0.278 0.000 0.974 280 D CA 0.799 54.933 54.000 0.223 0.000 0.841 280 D CB 0.012 40.908 40.800 0.161 0.000 0.953 280 D HN 0.297 nan 8.370 nan 0.000 0.478 281 L N -0.114 121.220 121.223 0.186 0.000 2.072 281 L HA -0.086 4.259 4.340 0.009 0.000 0.205 281 L C 2.372 179.342 176.870 0.167 0.000 1.079 281 L CA 0.483 55.389 54.840 0.109 0.000 0.752 281 L CB -0.393 41.602 42.059 -0.107 0.000 0.906 281 L HN -0.041 nan 8.230 nan 0.000 0.436 282 V N -0.028 120.053 119.914 0.279 0.000 2.343 282 V HA -0.283 3.843 4.120 0.009 0.000 0.247 282 V C 2.022 178.283 176.094 0.277 0.000 1.051 282 V CA 1.880 64.392 62.300 0.353 0.000 1.036 282 V CB -0.552 31.578 31.823 0.512 0.000 0.654 282 V HN 0.424 nan 8.190 nan 0.000 0.451 283 D N -0.706 119.822 120.400 0.213 0.000 2.265 283 D HA -0.152 4.494 4.640 0.009 0.000 0.208 283 D C 1.651 177.790 176.300 -0.268 0.000 0.977 283 D CA 1.401 55.418 54.000 0.029 0.000 0.871 283 D CB -0.208 40.582 40.800 -0.016 0.000 0.925 283 D HN 0.646 nan 8.370 nan 0.000 0.485 284 H N -1.137 117.984 119.070 0.085 0.000 2.755 284 H HA 0.164 4.725 4.556 0.009 0.000 0.273 284 H C 1.511 176.797 175.328 -0.069 0.000 1.055 284 H CA -0.045 56.017 56.048 0.023 0.000 1.191 284 H CB 0.510 30.382 29.762 0.184 0.000 1.536 284 H HN 0.112 nan 8.280 nan 0.000 0.529 285 E N 0.683 120.889 120.200 0.010 0.000 2.070 285 E HA -0.232 4.123 4.350 0.009 0.000 0.197 285 E C 0.607 176.984 176.600 -0.372 0.000 1.004 285 E CA 1.636 57.986 56.400 -0.083 0.000 0.805 285 E CB -0.079 29.525 29.700 -0.160 0.000 0.744 285 E HN 0.572 nan 8.360 nan 0.000 0.451 286 W N -0.045 121.146 121.300 -0.182 0.000 3.077 286 W HA 0.026 4.691 4.660 0.009 0.000 0.245 286 W C 1.397 177.863 176.519 -0.088 0.000 1.316 286 W CA 0.094 57.319 57.345 -0.200 0.000 1.537 286 W CB 0.210 29.502 29.460 -0.281 0.000 1.131 286 W HN 0.225 nan 8.180 nan 0.000 0.695 287 H N -0.412 118.750 119.070 0.153 0.000 2.533 287 H HA 0.085 4.646 4.556 0.009 0.000 0.271 287 H C 1.914 177.285 175.328 0.071 0.000 1.000 287 H CA 0.840 56.965 56.048 0.129 0.000 1.149 287 H CB -0.565 29.294 29.762 0.162 0.000 1.375 287 H HN 0.264 nan 8.280 nan 0.000 0.582 288 V N -2.250 117.725 119.914 0.101 0.000 3.578 288 V HA 0.230 4.356 4.120 0.009 0.000 0.290 288 V C 0.774 176.840 176.094 -0.048 0.000 1.376 288 V CA -0.172 62.138 62.300 0.016 0.000 1.083 288 V CB -0.302 31.501 31.823 -0.034 0.000 0.911 288 V HN -0.011 nan 8.190 nan 0.000 0.433 289 L N 2.482 123.685 121.223 -0.032 0.000 2.485 289 L HA 0.224 4.569 4.340 0.009 0.000 0.275 289 L C -0.239 176.623 176.870 -0.013 0.000 1.207 289 L CA -0.884 53.932 54.840 -0.041 0.000 0.855 289 L CB 0.621 42.682 42.059 0.003 0.000 1.114 289 L HN 0.156 nan 8.230 nan 0.000 0.485 290 P HA -0.097 nan 4.420 nan 0.000 0.219 290 P C -0.201 177.097 177.300 -0.002 0.000 1.150 290 P CA 1.160 64.252 63.100 -0.014 0.000 0.814 290 P CB 0.447 32.132 31.700 -0.025 0.000 0.787 291 Q N -1.188 118.612 119.800 0.000 0.000 2.544 291 Q HA 0.361 4.706 4.340 0.009 0.000 0.291 291 Q C -0.576 175.432 176.000 0.014 0.000 1.068 291 Q CA -0.806 55.001 55.803 0.006 0.000 0.785 291 Q CB 1.216 29.955 28.738 0.000 0.000 1.481 291 Q HN -0.024 nan 8.270 nan 0.000 0.430 292 E N 0.796 121.005 120.200 0.015 0.000 2.384 292 E HA 0.377 4.733 4.350 0.009 0.000 0.266 292 E C -0.920 175.685 176.600 0.009 0.000 1.012 292 E CA 0.161 56.573 56.400 0.019 0.000 0.901 292 E CB 0.394 30.104 29.700 0.017 0.000 0.967 292 E HN 0.625 nan 8.360 nan 0.000 0.435 293 S N 3.467 119.172 115.700 0.007 0.000 2.636 293 S HA 0.580 5.055 4.470 0.009 0.000 0.266 293 S C -0.622 173.968 174.600 -0.017 0.000 1.147 293 S CA -0.985 57.210 58.200 -0.008 0.000 0.815 293 S CB 0.451 63.640 63.200 -0.019 0.000 1.119 293 S HN 0.589 nan 8.310 nan 0.000 0.470 294 I N -3.180 117.375 120.570 -0.024 0.000 2.934 294 I HA 0.823 4.998 4.170 0.009 0.000 0.306 294 I C -0.322 175.751 176.117 -0.074 0.000 1.110 294 I CA -1.152 60.136 61.300 -0.020 0.000 1.019 294 I CB 1.434 39.464 38.000 0.049 0.000 1.227 294 I HN 0.801 nan 8.210 nan 0.000 0.434 295 F N 1.866 121.591 119.950 -0.375 0.000 3.091 295 F HA -0.176 4.357 4.527 0.009 0.000 0.288 295 F C -0.457 174.752 175.800 -0.985 0.000 0.907 295 F CA 0.596 58.106 58.000 -0.816 0.000 1.028 295 F CB -0.627 37.832 39.000 -0.902 0.000 1.022 295 F HN 0.614 nan 8.300 nan 0.000 0.665 296 R N 0.617 120.603 120.500 -0.856 0.000 2.574 296 R HA 0.601 4.946 4.340 0.009 0.000 0.288 296 R C -1.073 174.784 176.300 -0.738 0.000 1.004 296 R CA -0.558 55.162 56.100 -0.633 0.000 0.895 296 R CB 1.226 31.404 30.300 -0.203 0.000 1.191 296 R HN 0.006 nan 8.270 nan 0.000 0.444 297 F N -0.465 119.597 119.950 0.188 0.000 2.540 297 F HA 0.358 4.890 4.527 0.008 0.000 0.317 297 F C 1.601 177.315 175.800 -0.143 0.000 1.104 297 F CA -0.793 57.254 58.000 0.078 0.000 0.913 297 F CB 1.854 41.035 39.000 0.302 0.000 1.170 297 F HN 0.355 nan 8.300 nan 0.000 0.450 298 S N 1.007 116.536 115.700 -0.285 0.000 2.353 298 S HA -0.104 4.371 4.470 0.009 0.000 0.222 298 S C 0.098 174.215 174.600 -0.805 0.000 1.035 298 S CA 1.410 59.253 58.200 -0.595 0.000 1.025 298 S CB -0.261 62.468 63.200 -0.785 0.000 0.902 298 S HN 0.369 nan 8.310 nan 0.000 0.440 299 F N 1.295 121.245 119.950 -0.001 0.000 2.366 299 F HA 0.525 5.058 4.527 0.009 0.000 0.366 299 F C 0.042 175.853 175.800 0.018 0.000 1.096 299 F CA -0.959 57.080 58.000 0.065 0.000 1.060 299 F CB 1.164 40.240 39.000 0.128 0.000 1.282 299 F HN -0.084 nan 8.300 nan 0.000 0.450 300 V N 0.596 120.459 119.914 -0.084 0.000 3.164 300 V HA 0.768 4.894 4.120 0.009 0.000 0.313 300 V C -2.872 172.842 176.094 -0.634 0.000 1.188 300 V CA -3.404 58.496 62.300 -0.665 0.000 1.058 300 V CB 1.922 33.540 31.823 -0.341 0.000 1.110 300 V HN 0.227 nan 8.190 nan 0.000 0.453 301 P HA 0.158 nan 4.420 nan 0.000 0.264 301 P C -0.690 176.486 177.300 -0.207 0.000 1.183 301 P CA 0.521 63.360 63.100 -0.435 0.000 0.763 301 P CB 0.611 31.967 31.700 -0.574 0.000 0.807 302 V N 5.281 125.154 119.914 -0.069 0.000 2.547 302 V HA 0.217 4.343 4.120 0.009 0.000 0.299 302 V C -0.218 175.860 176.094 -0.026 0.000 1.040 302 V CA -0.795 61.481 62.300 -0.040 0.000 0.913 302 V CB 1.936 33.764 31.823 0.008 0.000 0.992 302 V HN 0.126 nan 8.190 nan 0.000 0.449 303 V N 7.472 127.369 119.914 -0.027 0.000 2.341 303 V HA 0.154 4.279 4.120 0.009 0.000 0.248 303 V C 0.901 177.002 176.094 0.012 0.000 1.107 303 V CA 0.314 62.611 62.300 -0.006 0.000 1.069 303 V CB 0.125 31.937 31.823 -0.020 0.000 1.177 303 V HN 1.066 nan 8.190 nan 0.000 0.492 304 D N 2.738 123.160 120.400 0.037 0.000 2.349 304 D HA 0.083 4.728 4.640 0.009 0.000 0.215 304 D C 1.575 177.900 176.300 0.041 0.000 1.016 304 D CA 0.770 54.796 54.000 0.043 0.000 0.870 304 D CB 0.308 41.146 40.800 0.065 0.000 0.917 304 D HN 0.666 nan 8.370 nan 0.000 0.524 305 G N 0.627 109.452 108.800 0.042 0.000 2.162 305 G HA2 -0.330 3.635 3.960 0.009 0.000 0.260 305 G HA3 -0.330 3.635 3.960 0.009 0.000 0.260 305 G C 0.400 175.322 174.900 0.037 0.000 0.976 305 G CA 0.781 45.900 45.100 0.031 0.000 0.655 305 G HN 0.571 nan 8.290 nan 0.000 0.533 306 D N -1.573 118.864 120.400 0.062 0.000 3.040 306 D HA 0.252 4.898 4.640 0.009 0.000 0.221 306 D C 1.744 178.092 176.300 0.079 0.000 1.515 306 D CA 0.376 54.413 54.000 0.063 0.000 1.379 306 D CB -0.661 40.186 40.800 0.080 0.000 0.992 306 D HN 0.078 nan 8.370 nan 0.000 0.234 307 F N 1.189 121.148 119.950 0.015 0.000 2.091 307 F HA 0.125 4.658 4.527 0.009 0.000 0.299 307 F C 0.641 176.444 175.800 0.005 0.000 1.103 307 F CA 1.265 59.275 58.000 0.017 0.000 1.228 307 F CB 0.080 39.089 39.000 0.015 0.000 0.984 307 F HN 0.012 nan 8.300 nan 0.000 0.477 308 L N 0.907 122.301 121.223 0.286 0.000 2.301 308 L HA 0.177 4.522 4.340 0.009 0.000 0.278 308 L C 1.427 178.344 176.870 0.078 0.000 1.022 308 L CA -0.151 54.790 54.840 0.168 0.000 0.854 308 L CB 1.239 43.380 42.059 0.137 0.000 1.226 308 L HN 0.099 nan 8.230 nan 0.000 0.429 309 S N 0.587 116.313 115.700 0.042 0.000 2.442 309 S HA -0.059 4.416 4.470 0.009 0.000 0.236 309 S C 0.495 175.105 174.600 0.018 0.000 1.007 309 S CA 0.683 58.896 58.200 0.021 0.000 0.965 309 S CB 0.125 63.327 63.200 0.003 0.000 0.773 309 S HN 0.713 nan 8.310 nan 0.000 0.504 310 D N -0.117 120.296 120.400 0.021 0.000 2.768 310 D HA 0.305 4.951 4.640 0.009 0.000 0.327 310 D C -0.845 175.459 176.300 0.007 0.000 1.302 310 D CA 0.068 54.075 54.000 0.010 0.000 0.897 310 D CB 1.261 42.066 40.800 0.007 0.000 1.420 310 D HN 0.214 nan 8.370 nan 0.000 0.494 311 T N -1.047 113.503 114.554 -0.006 0.000 2.903 311 T HA 0.273 4.628 4.350 0.009 0.000 0.314 311 T C -1.835 172.855 174.700 -0.017 0.000 1.078 311 T CA -0.674 61.413 62.100 -0.022 0.000 1.114 311 T CB 1.062 69.910 68.868 -0.033 0.000 0.987 311 T HN 0.102 nan 8.240 nan 0.000 0.548 312 P HA -0.076 nan 4.420 nan 0.000 0.218 312 P C 1.516 178.803 177.300 -0.022 0.000 1.148 312 P CA 0.894 63.975 63.100 -0.032 0.000 0.822 312 P CB 0.105 31.755 31.700 -0.083 0.000 0.784 313 E N -0.381 119.796 120.200 -0.038 0.000 2.031 313 E HA -0.217 4.139 4.350 0.009 0.000 0.193 313 E C 1.947 178.550 176.600 0.004 0.000 0.994 313 E CA 1.329 57.714 56.400 -0.026 0.000 0.800 313 E CB -0.458 29.219 29.700 -0.038 0.000 0.752 313 E HN 0.059 nan 8.360 nan 0.000 0.447 314 A N 1.166 123.988 122.820 0.003 0.000 1.883 314 A HA -0.181 4.144 4.320 0.009 0.000 0.217 314 A C 2.241 179.847 177.584 0.037 0.000 1.186 314 A CA 1.342 53.387 52.037 0.013 0.000 0.624 314 A CB -0.787 18.215 19.000 0.004 0.000 0.822 314 A HN 0.288 nan 8.150 nan 0.000 0.444 315 L N -0.166 121.087 121.223 0.050 0.000 2.083 315 L HA -0.166 4.179 4.340 0.009 0.000 0.209 315 L C 2.560 179.546 176.870 0.193 0.000 1.083 315 L CA 1.634 56.531 54.840 0.094 0.000 0.752 315 L CB -0.680 41.438 42.059 0.098 0.000 0.899 315 L HN 0.702 nan 8.230 nan 0.000 0.433 316 I N -3.394 117.277 120.570 0.169 0.000 2.761 316 I HA -0.066 4.109 4.170 0.009 0.000 0.261 316 I C 1.896 178.155 176.117 0.236 0.000 1.198 316 I CA 1.015 62.462 61.300 0.246 0.000 1.482 316 I CB -0.334 37.696 38.000 0.050 0.000 1.100 316 I HN 0.144 nan 8.210 nan 0.000 0.445 317 N N 1.398 120.173 118.700 0.126 0.000 2.354 317 N HA -0.073 4.673 4.740 0.009 0.000 0.179 317 N C 1.707 177.261 175.510 0.073 0.000 1.021 317 N CA 1.886 54.989 53.050 0.089 0.000 0.887 317 N CB -0.094 38.420 38.487 0.046 0.000 0.974 317 N HN 0.653 nan 8.380 nan 0.000 0.437 318 T N -3.239 111.348 114.554 0.055 0.000 3.132 318 T HA 0.362 4.717 4.350 0.009 0.000 0.274 318 T C 0.715 175.361 174.700 -0.091 0.000 1.011 318 T CA -0.607 61.489 62.100 -0.007 0.000 0.899 318 T CB 0.143 69.003 68.868 -0.013 0.000 1.089 318 T HN 0.009 nan 8.240 nan 0.000 0.543 319 G N 0.544 109.257 108.800 -0.144 0.000 2.476 319 G HA2 0.478 4.444 3.960 0.009 0.000 0.286 319 G HA3 0.478 4.444 3.960 0.009 0.000 0.286 319 G C -1.286 173.078 174.900 -0.893 0.000 1.177 319 G CA -0.560 44.187 45.100 -0.590 0.000 0.870 319 G HN 0.320 nan 8.290 nan 0.000 0.528 320 D N -0.009 119.891 120.400 -0.833 0.000 2.373 320 D HA 0.389 5.035 4.640 0.009 0.000 0.227 320 D C -0.496 175.385 176.300 -0.699 0.000 1.091 320 D CA -0.588 53.080 54.000 -0.552 0.000 0.840 320 D CB 0.549 41.182 40.800 -0.278 0.000 1.060 320 D HN 0.079 nan 8.370 nan 0.000 0.502 321 F N 2.688 122.646 119.950 0.014 0.000 2.923 321 F HA 0.233 4.765 4.527 0.009 0.000 0.314 321 F C 1.786 177.599 175.800 0.022 0.000 1.196 321 F CA -0.512 57.501 58.000 0.021 0.000 1.320 321 F CB 0.175 39.196 39.000 0.035 0.000 0.953 321 F HN 0.331 nan 8.300 nan 0.000 0.505 322 Q N 0.996 120.841 119.800 0.075 0.000 1.998 322 Q HA -0.192 4.153 4.340 0.009 0.000 0.209 322 Q C 0.672 176.712 176.000 0.067 0.000 1.002 322 Q CA 1.949 57.785 55.803 0.054 0.000 0.858 322 Q CB -0.098 28.643 28.738 0.005 0.000 0.932 322 Q HN 0.226 nan 8.270 nan 0.000 0.416 323 D N -0.205 120.228 120.400 0.055 0.000 3.179 323 D HA 0.181 4.826 4.640 0.009 0.000 0.267 323 D C -0.951 175.391 176.300 0.069 0.000 1.348 323 D CA -0.068 53.962 54.000 0.050 0.000 0.897 323 D CB 0.009 40.822 40.800 0.022 0.000 1.062 323 D HN 0.053 nan 8.370 nan 0.000 0.494 324 L N 1.065 122.355 121.223 0.113 0.000 2.385 324 L HA 0.331 4.677 4.340 0.009 0.000 0.273 324 L C -1.130 175.837 176.870 0.161 0.000 0.990 324 L CA -0.481 54.444 54.840 0.141 0.000 0.821 324 L CB 2.151 44.327 42.059 0.194 0.000 1.279 324 L HN -0.200 nan 8.230 nan 0.000 0.412 325 Q N 3.306 123.221 119.800 0.192 0.000 2.316 325 Q HA 0.778 5.124 4.340 0.009 0.000 0.264 325 Q C -1.399 174.881 176.000 0.468 0.000 0.987 325 Q CA -0.445 55.534 55.803 0.293 0.000 0.852 325 Q CB 2.655 31.519 28.738 0.210 0.000 1.287 325 Q HN 0.483 nan 8.270 nan 0.000 0.448 326 V N 2.777 122.917 119.914 0.375 0.000 2.760 326 V HA 0.476 4.602 4.120 0.009 0.000 0.309 326 V C -1.457 174.560 176.094 -0.128 0.000 1.077 326 V CA -0.861 61.543 62.300 0.174 0.000 0.910 326 V CB 2.040 33.896 31.823 0.056 0.000 1.008 326 V HN 0.606 nan 8.190 nan 0.000 0.424 327 L N 7.024 127.936 121.223 -0.520 0.000 2.313 327 L HA 0.911 5.256 4.340 0.009 0.000 0.283 327 L C -0.507 176.216 176.870 -0.245 0.000 1.013 327 L CA -0.129 54.335 54.840 -0.626 0.000 0.816 327 L CB 1.693 42.933 42.059 -1.365 0.000 1.236 327 L HN 0.603 nan 8.230 nan 0.000 0.419 328 V N 1.980 121.828 119.914 -0.110 0.000 3.007 328 V HA 1.124 5.250 4.120 0.009 0.000 0.311 328 V C -0.282 175.584 176.094 -0.381 0.000 1.120 328 V CA 0.215 62.438 62.300 -0.128 0.000 0.980 328 V CB 1.230 32.953 31.823 -0.168 0.000 1.033 328 V HN 1.090 nan 8.190 nan 0.000 0.429 329 G N 0.842 109.306 108.800 -0.561 0.000 2.495 329 G HA2 0.810 4.776 3.960 0.009 0.000 0.294 329 G HA3 0.810 4.776 3.960 0.009 0.000 0.294 329 G C -1.186 173.447 174.900 -0.445 0.000 1.397 329 G CA 0.043 44.420 45.100 -1.206 0.000 0.790 329 G HN 2.102 nan 8.290 nan 0.000 0.486 330 V N -2.462 117.309 119.914 -0.239 0.000 3.181 330 V HA 0.922 5.047 4.120 0.009 0.000 0.308 330 V C 0.190 176.477 176.094 0.320 0.000 1.214 330 V CA -0.444 61.918 62.300 0.103 0.000 1.053 330 V CB 1.161 33.018 31.823 0.057 0.000 1.069 330 V HN 1.787 nan 8.190 nan 0.000 0.441 331 V N -0.652 119.465 119.914 0.338 0.000 3.096 331 V HA 0.579 4.704 4.120 0.009 0.000 0.319 331 V C 1.396 177.683 176.094 0.321 0.000 1.082 331 V CA -0.043 62.507 62.300 0.418 0.000 1.022 331 V CB 1.203 33.255 31.823 0.381 0.000 1.103 331 V HN 1.068 nan 8.190 nan 0.000 0.455 332 K N 0.114 120.700 120.400 0.310 0.000 2.103 332 K HA -0.101 4.224 4.320 0.009 0.000 0.207 332 K C -0.043 176.683 176.600 0.209 0.000 1.048 332 K CA 2.117 58.542 56.287 0.229 0.000 0.930 332 K CB -0.039 32.574 32.500 0.187 0.000 0.716 332 K HN 0.965 nan 8.250 nan 0.000 0.444 333 D N 0.517 121.047 120.400 0.217 0.000 2.441 333 D HA 0.065 4.711 4.640 0.009 0.000 0.287 333 D C 0.037 176.474 176.300 0.229 0.000 1.198 333 D CA -0.223 53.896 54.000 0.199 0.000 0.894 333 D CB 1.435 42.329 40.800 0.157 0.000 1.070 333 D HN 0.014 nan 8.370 nan 0.000 0.499 334 E N 0.748 121.099 120.200 0.252 0.000 2.118 334 E HA -0.122 4.234 4.350 0.009 0.000 0.195 334 E C 2.120 178.927 176.600 0.345 0.000 0.992 334 E CA 0.914 57.503 56.400 0.316 0.000 0.804 334 E CB -0.009 29.848 29.700 0.262 0.000 0.741 334 E HN 0.544 nan 8.360 nan 0.000 0.458 335 G N 1.052 110.015 108.800 0.272 0.000 2.551 335 G HA2 -0.175 3.791 3.960 0.009 0.000 0.216 335 G HA3 -0.175 3.791 3.960 0.009 0.000 0.216 335 G C 1.709 176.790 174.900 0.302 0.000 1.137 335 G CA 0.880 46.165 45.100 0.308 0.000 0.798 335 G HN 0.368 nan 8.290 nan 0.000 0.536 336 S N 0.582 116.409 115.700 0.211 0.000 2.368 336 S HA -0.348 4.128 4.470 0.009 0.000 0.226 336 S C 2.156 176.764 174.600 0.014 0.000 1.044 336 S CA 1.701 59.976 58.200 0.125 0.000 1.062 336 S CB -0.937 62.245 63.200 -0.030 0.000 0.931 336 S HN 0.494 nan 8.310 nan 0.000 0.440 337 Y N 2.120 122.264 120.300 -0.259 0.000 2.139 337 Y HA -0.205 4.350 4.550 0.009 0.000 0.282 337 Y C 1.839 177.533 175.900 -0.344 0.000 1.179 337 Y CA 1.824 59.609 58.100 -0.525 0.000 1.161 337 Y CB -0.816 37.224 38.460 -0.700 0.000 0.970 337 Y HN 0.295 nan 8.280 nan 0.000 0.511 338 F N -0.256 119.654 119.950 -0.066 0.000 2.365 338 F HA -0.151 4.381 4.527 0.009 0.000 0.300 338 F C 2.069 177.835 175.800 -0.056 0.000 1.090 338 F CA 0.925 58.858 58.000 -0.111 0.000 1.408 338 F CB -0.529 38.419 39.000 -0.087 0.000 1.060 338 F HN 0.048 nan 8.300 nan 0.000 0.534 339 L N -0.043 121.209 121.223 0.048 0.000 2.131 339 L HA -0.138 4.207 4.340 0.009 0.000 0.210 339 L C 2.309 179.182 176.870 0.005 0.000 1.092 339 L CA 0.990 55.746 54.840 -0.139 0.000 0.759 339 L CB -0.938 40.793 42.059 -0.547 0.000 0.903 339 L HN 0.183 nan 8.230 nan 0.000 0.435 340 V N -4.977 114.990 119.914 0.088 0.000 3.573 340 V HA -0.129 3.996 4.120 0.009 0.000 0.270 340 V C 1.153 177.108 176.094 -0.233 0.000 1.221 340 V CA 0.673 63.012 62.300 0.064 0.000 1.163 340 V CB -1.136 30.785 31.823 0.164 0.000 0.847 340 V HN 0.297 nan 8.190 nan 0.000 0.468 341 Y N 1.649 121.905 120.300 -0.074 0.000 2.683 341 Y HA 0.680 5.235 4.550 0.009 0.000 0.297 341 Y C 1.646 177.487 175.900 -0.098 0.000 1.147 341 Y CA 0.248 58.268 58.100 -0.133 0.000 1.274 341 Y CB 0.662 38.985 38.460 -0.229 0.000 1.143 341 Y HN 0.396 nan 8.280 nan 0.000 0.527 342 G N -1.333 107.481 108.800 0.023 0.000 3.987 342 G HA2 -0.066 3.899 3.960 0.009 0.000 0.220 342 G HA3 -0.066 3.899 3.960 0.009 0.000 0.220 342 G C -0.793 174.134 174.900 0.044 0.000 0.871 342 G CA -0.472 44.643 45.100 0.025 0.000 0.881 342 G HN -0.031 nan 8.290 nan 0.000 0.674 343 V N 2.591 122.549 119.914 0.074 0.000 2.383 343 V HA 0.454 4.580 4.120 0.009 0.000 0.275 343 V C -2.026 174.212 176.094 0.239 0.000 1.036 343 V CA -1.661 60.718 62.300 0.132 0.000 0.889 343 V CB 1.506 33.370 31.823 0.068 0.000 0.985 343 V HN 0.052 nan 8.190 nan 0.000 0.459 344 P HA 0.324 nan 4.420 nan 0.000 0.267 344 P C 0.937 178.306 177.300 0.115 0.000 1.205 344 P CA 1.046 64.213 63.100 0.112 0.000 0.765 344 P CB 0.812 32.549 31.700 0.061 0.000 0.828 345 G N 1.459 110.269 108.800 0.016 0.000 2.238 345 G HA2 -0.201 3.764 3.960 0.009 0.000 0.217 345 G HA3 -0.201 3.764 3.960 0.009 0.000 0.217 345 G C -0.183 174.495 174.900 -0.371 0.000 0.996 345 G CA -0.611 44.377 45.100 -0.187 0.000 0.632 345 G HN 0.389 nan 8.290 nan 0.000 0.503 346 F N 1.606 121.533 119.950 -0.039 0.000 2.421 346 F HA 0.805 5.337 4.527 0.009 0.000 0.337 346 F C 0.624 176.466 175.800 0.071 0.000 1.105 346 F CA -0.119 57.867 58.000 -0.023 0.000 1.049 346 F CB 2.227 41.255 39.000 0.048 0.000 1.139 346 F HN 0.170 nan 8.300 nan 0.000 0.479 347 S N 1.464 117.341 115.700 0.295 0.000 2.547 347 S HA 0.284 4.760 4.470 0.009 0.000 0.270 347 S C 0.207 175.069 174.600 0.435 0.000 1.150 347 S CA -0.863 57.522 58.200 0.308 0.000 0.850 347 S CB 1.419 64.711 63.200 0.154 0.000 1.118 347 S HN 0.773 nan 8.310 nan 0.000 0.461 348 K N 1.152 121.732 120.400 0.300 0.000 2.365 348 K HA 0.127 4.452 4.320 0.009 0.000 0.197 348 K C 0.023 176.649 176.600 0.044 0.000 1.042 348 K CA 0.944 57.332 56.287 0.167 0.000 0.987 348 K CB -0.104 32.222 32.500 -0.290 0.000 0.779 348 K HN 0.463 nan 8.250 nan 0.000 0.484 349 D N 1.166 121.573 120.400 0.013 0.000 2.350 349 D HA -0.005 4.640 4.640 0.009 0.000 0.213 349 D C -0.154 176.168 176.300 0.038 0.000 1.031 349 D CA 0.352 54.338 54.000 -0.023 0.000 0.861 349 D CB 0.098 40.864 40.800 -0.057 0.000 0.926 349 D HN 0.483 nan 8.370 nan 0.000 0.520 350 N N -0.870 117.884 118.700 0.089 0.000 2.831 350 N HA 0.096 4.841 4.740 0.009 0.000 0.276 350 N C 0.460 176.001 175.510 0.052 0.000 1.416 350 N CA -0.519 52.555 53.050 0.039 0.000 0.799 350 N CB 0.855 39.325 38.487 -0.028 0.000 1.554 350 N HN -0.430 nan 8.380 nan 0.000 0.541 351 E N -0.439 119.726 120.200 -0.059 0.000 2.478 351 E HA 0.007 4.362 4.350 0.009 0.000 0.198 351 E C -0.342 175.904 176.600 -0.590 0.000 1.046 351 E CA 0.431 56.727 56.400 -0.173 0.000 0.870 351 E CB -0.663 28.972 29.700 -0.109 0.000 0.818 351 E HN 0.601 nan 8.360 nan 0.000 0.527 352 S N 0.092 115.462 115.700 -0.550 0.000 3.581 352 S HA -0.197 4.279 4.470 0.009 0.000 0.354 352 S C 0.362 174.502 174.600 -0.768 0.000 1.059 352 S CA 0.194 57.916 58.200 -0.796 0.000 1.060 352 S CB -1.858 60.593 63.200 -1.249 0.000 0.908 352 S HN 0.310 nan 8.310 nan 0.000 0.475 353 L N 1.581 122.520 121.223 -0.472 0.000 2.418 353 L HA 0.406 4.751 4.340 0.009 0.000 0.274 353 L C 0.709 177.366 176.870 -0.355 0.000 1.135 353 L CA 0.034 54.664 54.840 -0.350 0.000 0.870 353 L CB 0.169 42.099 42.059 -0.216 0.000 1.154 353 L HN 0.451 nan 8.230 nan 0.000 0.462 354 I N 0.283 120.646 120.570 -0.345 0.000 3.023 354 I HA 0.670 4.845 4.170 0.009 0.000 0.312 354 I C 0.361 176.395 176.117 -0.139 0.000 1.056 354 I CA -0.660 60.475 61.300 -0.276 0.000 1.033 354 I CB 2.022 39.823 38.000 -0.332 0.000 1.233 354 I HN 0.527 nan 8.210 nan 0.000 0.462 355 S N 1.500 117.153 115.700 -0.078 0.000 2.713 355 S HA 0.439 4.915 4.470 0.009 0.000 0.283 355 S C 0.879 175.502 174.600 0.039 0.000 1.161 355 S CA -0.519 57.666 58.200 -0.026 0.000 0.999 355 S CB 1.650 64.840 63.200 -0.016 0.000 1.039 355 S HN 0.869 nan 8.310 nan 0.000 0.548 356 R N 0.399 120.928 120.500 0.048 0.000 2.096 356 R HA -0.049 4.297 4.340 0.009 0.000 0.235 356 R C 2.264 178.658 176.300 0.156 0.000 1.127 356 R CA 1.666 57.834 56.100 0.114 0.000 0.968 356 R CB -1.098 29.247 30.300 0.076 0.000 0.861 356 R HN 0.825 nan 8.270 nan 0.000 0.440 357 A N 0.343 123.218 122.820 0.091 0.000 1.930 357 A HA -0.176 4.149 4.320 0.009 0.000 0.217 357 A C 2.015 179.647 177.584 0.081 0.000 1.175 357 A CA 1.391 53.473 52.037 0.075 0.000 0.627 357 A CB -0.406 18.621 19.000 0.044 0.000 0.815 357 A HN 0.506 nan 8.150 nan 0.000 0.443 358 Q N -1.849 118.002 119.800 0.085 0.000 2.167 358 Q HA -0.107 4.239 4.340 0.009 0.000 0.202 358 Q C 1.848 177.952 176.000 0.175 0.000 0.970 358 Q CA 1.404 57.264 55.803 0.095 0.000 0.855 358 Q CB -0.251 28.515 28.738 0.046 0.000 0.911 358 Q HN 0.817 nan 8.270 nan 0.000 0.438 359 F N 1.076 121.053 119.950 0.045 0.000 2.113 359 F HA -0.184 4.348 4.527 0.009 0.000 0.297 359 F C 1.758 177.590 175.800 0.053 0.000 1.103 359 F CA 1.002 59.040 58.000 0.063 0.000 1.248 359 F CB 0.064 39.083 39.000 0.032 0.000 0.999 359 F HN -0.049 nan 8.300 nan 0.000 0.475 360 L N 0.273 121.453 121.223 -0.071 0.000 2.083 360 L HA -0.210 4.136 4.340 0.009 0.000 0.209 360 L C 2.805 179.600 176.870 -0.126 0.000 1.083 360 L CA 1.149 55.888 54.840 -0.168 0.000 0.752 360 L CB -1.374 40.675 42.059 -0.017 0.000 0.899 360 L HN 0.279 nan 8.230 nan 0.000 0.433 361 A N 0.455 123.250 122.820 -0.042 0.000 1.929 361 A HA -0.030 4.296 4.320 0.009 0.000 0.216 361 A C 2.426 179.992 177.584 -0.031 0.000 1.176 361 A CA 1.403 53.428 52.037 -0.020 0.000 0.628 361 A CB -1.041 17.969 19.000 0.017 0.000 0.816 361 A HN 0.418 nan 8.150 nan 0.000 0.444 362 G N -0.508 108.280 108.800 -0.021 0.000 2.422 362 G HA2 -0.095 3.871 3.960 0.009 0.000 0.218 362 G HA3 -0.095 3.871 3.960 0.009 0.000 0.218 362 G C 1.459 176.296 174.900 -0.105 0.000 1.146 362 G CA 1.171 46.264 45.100 -0.012 0.000 0.769 362 G HN 0.294 nan 8.290 nan 0.000 0.547 363 V N 0.920 120.699 119.914 -0.226 0.000 2.407 363 V HA -0.129 3.996 4.120 0.009 0.000 0.248 363 V C 2.966 178.990 176.094 -0.117 0.000 1.055 363 V CA 1.564 63.727 62.300 -0.228 0.000 1.049 363 V CB -0.362 31.243 31.823 -0.363 0.000 0.662 363 V HN 0.218 nan 8.190 nan 0.000 0.455 364 R N -0.137 120.310 120.500 -0.090 0.000 2.115 364 R HA 0.035 4.381 4.340 0.009 0.000 0.230 364 R C 2.022 178.300 176.300 -0.036 0.000 1.111 364 R CA 1.340 57.410 56.100 -0.050 0.000 0.976 364 R CB -0.768 29.512 30.300 -0.033 0.000 0.870 364 R HN 0.480 nan 8.270 nan 0.000 0.445 365 I N -0.556 119.993 120.570 -0.035 0.000 2.480 365 I HA -0.047 4.128 4.170 0.009 0.000 0.251 365 I C 2.258 178.360 176.117 -0.026 0.000 1.124 365 I CA 1.266 62.554 61.300 -0.021 0.000 1.444 365 I CB -0.446 37.549 38.000 -0.009 0.000 1.098 365 I HN 0.173 nan 8.210 nan 0.000 0.428 366 G N 0.369 109.143 108.800 -0.043 0.000 2.448 366 G HA2 -0.035 3.931 3.960 0.009 0.000 0.218 366 G HA3 -0.035 3.931 3.960 0.009 0.000 0.218 366 G C 0.885 175.757 174.900 -0.047 0.000 1.135 366 G CA 0.408 45.483 45.100 -0.042 0.000 0.784 366 G HN 0.249 nan 8.290 nan 0.000 0.543 367 V N 2.142 122.013 119.914 -0.072 0.000 2.454 367 V HA 0.206 4.331 4.120 0.009 0.000 0.255 367 V C -1.247 174.821 176.094 -0.043 0.000 1.009 367 V CA -1.036 61.190 62.300 -0.124 0.000 1.149 367 V CB 1.316 33.058 31.823 -0.135 0.000 1.418 367 V HN 0.096 nan 8.190 nan 0.000 0.567 368 P HA -0.191 nan 4.420 nan 0.000 0.220 368 P C 0.958 178.260 177.300 0.003 0.000 1.144 368 P CA 1.269 64.368 63.100 -0.002 0.000 0.800 368 P CB 0.545 32.245 31.700 0.000 0.000 0.772 369 Q N -0.757 119.053 119.800 0.018 0.000 2.360 369 Q HA 0.308 4.654 4.340 0.009 0.000 0.202 369 Q C 0.762 176.766 176.000 0.006 0.000 0.915 369 Q CA -0.072 55.740 55.803 0.016 0.000 0.943 369 Q CB -0.166 28.592 28.738 0.033 0.000 1.064 369 Q HN 0.201 nan 8.270 nan 0.000 0.511 370 A N 0.726 123.545 122.820 -0.002 0.000 2.366 370 A HA 0.488 4.813 4.320 0.009 0.000 0.272 370 A C 0.419 177.999 177.584 -0.006 0.000 1.135 370 A CA -0.410 51.623 52.037 -0.006 0.000 0.804 370 A CB 0.287 19.283 19.000 -0.007 0.000 1.064 370 A HN 0.333 nan 8.150 nan 0.000 0.499 371 S N 1.831 117.526 115.700 -0.008 0.000 2.617 371 S HA 0.117 4.593 4.470 0.009 0.000 0.259 371 S C 0.358 174.963 174.600 0.007 0.000 1.301 371 S CA 0.301 58.499 58.200 -0.003 0.000 0.984 371 S CB 0.350 63.545 63.200 -0.008 0.000 0.954 371 S HN 0.613 nan 8.310 nan 0.000 0.572 372 D N 0.062 120.469 120.400 0.012 0.000 2.117 372 D HA -0.051 4.595 4.640 0.009 0.000 0.197 372 D C 1.748 178.070 176.300 0.036 0.000 0.987 372 D CA 0.920 54.932 54.000 0.020 0.000 0.829 372 D CB -0.457 40.354 40.800 0.020 0.000 0.961 372 D HN 0.409 nan 8.370 nan 0.000 0.460 373 L N 0.814 122.060 121.223 0.038 0.000 1.994 373 L HA -0.066 4.279 4.340 0.009 0.000 0.208 373 L C 2.077 178.998 176.870 0.086 0.000 1.071 373 L CA 1.909 56.787 54.840 0.062 0.000 0.745 373 L CB -0.935 41.157 42.059 0.055 0.000 0.892 373 L HN 0.005 nan 8.230 nan 0.000 0.431 374 A N -0.449 122.404 122.820 0.055 0.000 1.908 374 A HA -0.158 4.168 4.320 0.009 0.000 0.218 374 A C 2.438 180.073 177.584 0.085 0.000 1.181 374 A CA 2.046 54.118 52.037 0.058 0.000 0.627 374 A CB -1.257 17.735 19.000 -0.013 0.000 0.818 374 A HN 0.605 nan 8.150 nan 0.000 0.445 375 A N -0.754 122.097 122.820 0.052 0.000 1.969 375 A HA -0.110 4.216 4.320 0.009 0.000 0.218 375 A C 1.973 179.597 177.584 0.066 0.000 1.169 375 A CA 2.064 54.125 52.037 0.039 0.000 0.635 375 A CB -0.387 18.615 19.000 0.004 0.000 0.810 375 A HN 0.475 nan 8.150 nan 0.000 0.445 376 E N 0.289 120.541 120.200 0.087 0.000 2.107 376 E HA 0.008 4.363 4.350 0.009 0.000 0.191 376 E C 2.023 178.719 176.600 0.159 0.000 0.982 376 E CA 1.302 57.769 56.400 0.112 0.000 0.809 376 E CB -0.473 29.288 29.700 0.102 0.000 0.756 376 E HN 0.457 nan 8.360 nan 0.000 0.459 377 A N -0.056 122.881 122.820 0.196 0.000 1.930 377 A HA -0.112 4.213 4.320 0.009 0.000 0.217 377 A C 2.470 180.176 177.584 0.203 0.000 1.175 377 A CA 1.481 53.674 52.037 0.260 0.000 0.627 377 A CB -0.638 18.637 19.000 0.459 0.000 0.815 377 A HN 0.180 nan 8.150 nan 0.000 0.443 378 V N -0.448 119.613 119.914 0.245 0.000 2.295 378 V HA -0.225 3.900 4.120 0.009 0.000 0.246 378 V C 2.570 178.826 176.094 0.270 0.000 1.049 378 V CA 2.015 64.438 62.300 0.205 0.000 1.024 378 V CB -0.718 31.204 31.823 0.165 0.000 0.648 378 V HN 0.370 nan 8.190 nan 0.000 0.447 379 V N -0.202 119.828 119.914 0.193 0.000 2.407 379 V HA -0.239 3.886 4.120 0.009 0.000 0.248 379 V C 2.256 178.552 176.094 0.337 0.000 1.055 379 V CA 1.855 64.313 62.300 0.264 0.000 1.049 379 V CB -0.491 31.421 31.823 0.149 0.000 0.662 379 V HN 0.449 nan 8.190 nan 0.000 0.455 380 L N -0.756 120.651 121.223 0.308 0.000 2.109 380 L HA -0.161 4.184 4.340 0.009 0.000 0.207 380 L C 2.530 179.590 176.870 0.316 0.000 1.086 380 L CA 1.830 56.931 54.840 0.435 0.000 0.760 380 L CB -0.738 41.519 42.059 0.331 0.000 0.910 380 L HN 0.444 nan 8.230 nan 0.000 0.437 381 H N -0.801 118.264 119.070 -0.008 0.000 2.395 381 H HA -0.164 4.397 4.556 0.008 0.000 0.299 381 H C 1.806 177.012 175.328 -0.205 0.000 1.070 381 H CA 1.774 57.664 56.048 -0.264 0.000 1.356 381 H CB 0.076 29.330 29.762 -0.846 0.000 1.401 381 H HN 0.221 nan 8.280 nan 0.000 0.524 382 Y N -0.102 120.249 120.300 0.086 0.000 2.523 382 Y HA 0.119 4.675 4.550 0.011 0.000 0.279 382 Y C 0.835 176.768 175.900 0.054 0.000 1.139 382 Y CA 0.408 58.592 58.100 0.140 0.000 1.296 382 Y CB 0.228 38.903 38.460 0.358 0.000 1.045 382 Y HN 0.040 nan 8.280 nan 0.000 0.538 383 T N 1.288 115.853 114.554 0.020 0.000 2.916 383 T HA -0.033 4.322 4.350 0.009 0.000 0.303 383 T C -0.305 174.065 174.700 -0.549 0.000 1.025 383 T CA -0.260 61.609 62.100 -0.385 0.000 1.142 383 T CB 0.313 68.583 68.868 -0.997 0.000 0.947 383 T HN 0.073 nan 8.240 nan 0.000 0.544 384 D N 2.076 122.151 120.400 -0.542 0.000 2.411 384 D HA 0.116 4.761 4.640 0.009 0.000 0.225 384 D C 0.076 176.107 176.300 -0.449 0.000 1.156 384 D CA -0.783 52.879 54.000 -0.563 0.000 0.874 384 D CB 0.227 40.450 40.800 -0.963 0.000 1.034 384 D HN 0.587 nan 8.370 nan 0.000 0.502 385 W N 3.028 124.266 121.300 -0.103 0.000 2.848 385 W HA 0.070 4.734 4.660 0.007 0.000 0.241 385 W C 1.777 178.231 176.519 -0.108 0.000 1.289 385 W CA -0.201 57.096 57.345 -0.080 0.000 1.396 385 W CB -0.002 29.415 29.460 -0.071 0.000 1.138 385 W HN 0.433 nan 8.180 nan 0.000 0.677 386 L N -0.926 120.292 121.223 -0.008 0.000 2.375 386 L HA 0.004 4.350 4.340 0.009 0.000 0.215 386 L C 0.028 176.590 176.870 -0.514 0.000 1.108 386 L CA 0.910 55.628 54.840 -0.203 0.000 0.830 386 L CB -0.085 41.864 42.059 -0.183 0.000 0.959 386 L HN 0.037 nan 8.230 nan 0.000 0.457 387 H N -2.105 116.896 119.070 -0.114 0.000 2.823 387 H HA 0.136 4.697 4.556 0.009 0.000 0.222 387 H C -1.903 173.332 175.328 -0.156 0.000 1.414 387 H CA -1.182 54.800 56.048 -0.109 0.000 1.289 387 H CB 0.042 29.740 29.762 -0.108 0.000 1.970 387 H HN -0.069 nan 8.280 nan 0.000 0.517 388 P HA -0.156 nan 4.420 nan 0.000 0.226 388 P C 0.448 177.683 177.300 -0.108 0.000 1.146 388 P CA 1.226 64.208 63.100 -0.198 0.000 0.773 388 P CB 0.691 32.270 31.700 -0.202 0.000 0.772 389 E N -0.510 119.668 120.200 -0.036 0.000 2.562 389 E HA 0.054 4.409 4.350 0.009 0.000 0.214 389 E C 0.002 176.592 176.600 -0.017 0.000 0.979 389 E CA -0.131 56.256 56.400 -0.022 0.000 1.002 389 E CB -0.119 29.580 29.700 -0.002 0.000 1.048 389 E HN 0.288 nan 8.360 nan 0.000 0.488 390 D N 2.445 122.848 120.400 0.005 0.000 2.412 390 D HA -0.005 4.641 4.640 0.009 0.000 0.257 390 D C -1.587 174.690 176.300 -0.038 0.000 1.217 390 D CA -1.413 52.588 54.000 0.001 0.000 0.897 390 D CB 1.404 42.217 40.800 0.021 0.000 1.132 390 D HN -0.183 nan 8.370 nan 0.000 0.493 391 P HA -0.145 nan 4.420 nan 0.000 0.215 391 P C 1.208 178.432 177.300 -0.127 0.000 1.153 391 P CA 1.146 64.183 63.100 -0.106 0.000 0.853 391 P CB 0.143 31.777 31.700 -0.110 0.000 0.788 392 T N -1.752 112.747 114.554 -0.092 0.000 2.708 392 T HA -0.210 4.145 4.350 0.009 0.000 0.266 392 T C 1.766 176.420 174.700 -0.076 0.000 1.037 392 T CA 1.806 63.859 62.100 -0.078 0.000 1.146 392 T CB -1.043 67.800 68.868 -0.041 0.000 0.865 392 T HN 0.273 nan 8.240 nan 0.000 0.435 393 H N 0.753 119.755 119.070 -0.115 0.000 2.389 393 H HA 0.128 4.689 4.556 0.008 0.000 0.299 393 H C 1.971 177.190 175.328 -0.182 0.000 1.081 393 H CA 1.152 57.125 56.048 -0.125 0.000 1.345 393 H CB -0.480 29.192 29.762 -0.149 0.000 1.393 393 H HN 0.251 nan 8.280 nan 0.000 0.520 394 L N 0.047 121.052 121.223 -0.363 0.000 2.093 394 L HA -0.133 4.213 4.340 0.009 0.000 0.208 394 L C 2.883 179.569 176.870 -0.307 0.000 1.085 394 L CA 1.297 55.819 54.840 -0.530 0.000 0.755 394 L CB -0.422 41.422 42.059 -0.358 0.000 0.904 394 L HN 0.283 nan 8.230 nan 0.000 0.435 395 R N 0.582 120.986 120.500 -0.159 0.000 2.062 395 R HA -0.173 4.172 4.340 0.009 0.000 0.231 395 R C 1.586 177.949 176.300 0.105 0.000 1.136 395 R CA 2.068 58.182 56.100 0.024 0.000 0.948 395 R CB -0.408 29.796 30.300 -0.160 0.000 0.845 395 R HN 0.312 nan 8.270 nan 0.000 0.430 396 D N 0.508 120.900 120.400 -0.013 0.000 2.219 396 D HA -0.080 4.565 4.640 0.009 0.000 0.205 396 D C 1.643 177.942 176.300 -0.001 0.000 0.970 396 D CA 1.276 55.306 54.000 0.049 0.000 0.851 396 D CB -0.088 40.728 40.800 0.027 0.000 0.943 396 D HN 0.399 nan 8.370 nan 0.000 0.488 397 A N 0.509 123.206 122.820 -0.205 0.000 1.929 397 A HA -0.083 4.243 4.320 0.009 0.000 0.216 397 A C 2.108 179.772 177.584 0.133 0.000 1.176 397 A CA 1.032 53.010 52.037 -0.097 0.000 0.628 397 A CB -0.344 18.392 19.000 -0.440 0.000 0.816 397 A HN 0.132 nan 8.150 nan 0.000 0.444 398 M N -0.056 119.675 119.600 0.218 0.000 2.132 398 M HA -0.074 4.411 4.480 0.009 0.000 0.263 398 M C 2.262 178.614 176.300 0.088 0.000 1.065 398 M CA 2.103 57.576 55.300 0.288 0.000 1.122 398 M CB -0.511 32.306 32.600 0.363 0.000 1.365 398 M HN 0.383 nan 8.290 nan 0.000 0.411 399 S N -0.221 115.550 115.700 0.118 0.000 2.356 399 S HA -0.091 4.384 4.470 0.009 0.000 0.223 399 S C 2.071 176.748 174.600 0.129 0.000 1.032 399 S CA 1.541 59.823 58.200 0.137 0.000 1.005 399 S CB -0.626 62.723 63.200 0.249 0.000 0.867 399 S HN 0.631 nan 8.310 nan 0.000 0.449 400 A N 0.834 123.745 122.820 0.153 0.000 1.933 400 A HA 0.008 4.333 4.320 0.009 0.000 0.218 400 A C 2.363 180.019 177.584 0.120 0.000 1.175 400 A CA 1.737 53.900 52.037 0.209 0.000 0.628 400 A CB -1.090 18.128 19.000 0.364 0.000 0.814 400 A HN 0.463 nan 8.150 nan 0.000 0.444 401 V N -0.390 119.446 119.914 -0.131 0.000 2.287 401 V HA -0.255 3.870 4.120 0.009 0.000 0.248 401 V C 2.590 178.625 176.094 -0.098 0.000 1.053 401 V CA 2.161 64.301 62.300 -0.266 0.000 1.027 401 V CB -0.733 30.911 31.823 -0.298 0.000 0.646 401 V HN 0.390 nan 8.190 nan 0.000 0.447 402 V N 0.631 120.507 119.914 -0.063 0.000 2.358 402 V HA -0.145 3.981 4.120 0.009 0.000 0.246 402 V C 2.598 178.621 176.094 -0.117 0.000 1.047 402 V CA 2.148 64.405 62.300 -0.071 0.000 1.035 402 V CB -1.315 30.510 31.823 0.004 0.000 0.658 402 V HN 0.613 nan 8.190 nan 0.000 0.452 403 G N -0.421 108.370 108.800 -0.014 0.000 2.408 403 G HA2 -0.208 3.757 3.960 0.009 0.000 0.217 403 G HA3 -0.208 3.757 3.960 0.009 0.000 0.217 403 G C 1.218 176.070 174.900 -0.081 0.000 1.150 403 G CA 0.933 46.034 45.100 0.002 0.000 0.776 403 G HN 0.504 nan 8.290 nan 0.000 0.542 404 D N -0.295 120.066 120.400 -0.066 0.000 2.123 404 D HA -0.057 4.589 4.640 0.009 0.000 0.200 404 D C 2.068 178.047 176.300 -0.535 0.000 0.976 404 D CA 1.130 55.050 54.000 -0.134 0.000 0.831 404 D CB -0.436 40.462 40.800 0.162 0.000 0.974 404 D HN 0.416 nan 8.370 nan 0.000 0.469 405 H N 0.976 119.458 119.070 -0.980 0.000 2.357 405 H HA 0.021 4.583 4.556 0.009 0.000 0.301 405 H C 1.492 176.409 175.328 -0.685 0.000 1.082 405 H CA 1.684 56.964 56.048 -1.279 0.000 1.342 405 H CB 0.098 29.064 29.762 -1.326 0.000 1.389 405 H HN -0.012 nan 8.280 nan 0.000 0.511 406 N N -0.772 117.509 118.700 -0.698 0.000 2.402 406 N HA -0.009 4.737 4.740 0.009 0.000 0.174 406 N C 1.296 176.573 175.510 -0.388 0.000 1.027 406 N CA 1.160 53.746 53.050 -0.772 0.000 0.891 406 N CB 0.918 38.432 38.487 -1.622 0.000 1.016 406 N HN 0.280 nan 8.380 nan 0.000 0.439 407 V N -0.294 119.458 119.914 -0.271 0.000 3.278 407 V HA 0.053 4.178 4.120 0.009 0.000 0.215 407 V C 2.231 178.288 176.094 -0.061 0.000 1.287 407 V CA 0.197 62.464 62.300 -0.055 0.000 1.302 407 V CB -0.220 31.654 31.823 0.085 0.000 1.228 407 V HN -0.172 nan 8.190 nan 0.000 0.523 408 V N 0.184 120.065 119.914 -0.055 0.000 2.252 408 V HA -0.332 3.794 4.120 0.009 0.000 0.249 408 V C 2.502 178.558 176.094 -0.064 0.000 1.056 408 V CA 2.716 64.992 62.300 -0.040 0.000 1.022 408 V CB -0.830 31.000 31.823 0.012 0.000 0.641 408 V HN 0.679 nan 8.190 nan 0.000 0.445 409 c N -0.672 117.876 118.600 -0.088 0.000 2.450 409 c HA 0.019 4.594 4.570 0.009 0.000 0.279 409 c C 0.493 174.536 174.090 -0.077 0.000 1.335 409 c CA 0.798 57.101 56.329 -0.044 0.000 1.749 409 c CB -1.644 40.865 42.510 -0.002 0.000 1.963 409 c HN 0.459 nan 8.230 nan 0.000 0.501 410 P HA -0.035 nan 4.420 nan 0.000 0.219 410 P C 1.761 178.989 177.300 -0.119 0.000 1.150 410 P CA 1.166 64.180 63.100 -0.142 0.000 0.814 410 P CB -0.062 31.519 31.700 -0.199 0.000 0.787 411 V N 0.188 120.035 119.914 -0.111 0.000 2.307 411 V HA -0.235 3.891 4.120 0.009 0.000 0.245 411 V C 2.410 178.406 176.094 -0.164 0.000 1.045 411 V CA 2.233 64.455 62.300 -0.131 0.000 1.024 411 V CB -1.637 30.109 31.823 -0.128 0.000 0.651 411 V HN 0.083 nan 8.190 nan 0.000 0.449 412 A N -0.172 122.567 122.820 -0.135 0.000 1.908 412 A HA -0.348 3.977 4.320 0.009 0.000 0.218 412 A C 2.211 179.755 177.584 -0.068 0.000 1.181 412 A CA 2.429 54.395 52.037 -0.117 0.000 0.627 412 A CB -0.594 18.387 19.000 -0.032 0.000 0.818 412 A HN 0.631 nan 8.150 nan 0.000 0.445 413 Q N -0.715 119.058 119.800 -0.046 0.000 2.050 413 Q HA -0.163 4.183 4.340 0.009 0.000 0.202 413 Q C 1.891 177.863 176.000 -0.048 0.000 0.980 413 Q CA 1.927 57.716 55.803 -0.023 0.000 0.840 413 Q CB -0.434 28.286 28.738 -0.030 0.000 0.898 413 Q HN 0.503 nan 8.270 nan 0.000 0.424 414 L N 0.436 121.601 121.223 -0.096 0.000 1.994 414 L HA -0.058 4.288 4.340 0.009 0.000 0.208 414 L C 2.276 179.066 176.870 -0.134 0.000 1.071 414 L CA 2.362 57.128 54.840 -0.123 0.000 0.745 414 L CB -1.189 40.781 42.059 -0.148 0.000 0.892 414 L HN 0.322 nan 8.230 nan 0.000 0.431 415 A N -0.449 122.255 122.820 -0.194 0.000 1.883 415 A HA -0.145 4.180 4.320 0.009 0.000 0.217 415 A C 2.353 179.928 177.584 -0.015 0.000 1.186 415 A CA 1.876 53.754 52.037 -0.265 0.000 0.624 415 A CB -1.719 16.840 19.000 -0.734 0.000 0.822 415 A HN 0.564 nan 8.150 nan 0.000 0.444 416 G N -0.730 108.122 108.800 0.085 0.000 2.446 416 G HA2 -0.230 3.735 3.960 0.009 0.000 0.217 416 G HA3 -0.230 3.735 3.960 0.009 0.000 0.217 416 G C 1.674 176.652 174.900 0.130 0.000 1.168 416 G CA 0.910 46.141 45.100 0.218 0.000 0.771 416 G HN 0.409 nan 8.290 nan 0.000 0.551 417 R N -0.243 120.300 120.500 0.072 0.000 2.075 417 R HA 0.083 4.429 4.340 0.009 0.000 0.232 417 R C 2.529 178.899 176.300 0.116 0.000 1.126 417 R CA 0.374 56.527 56.100 0.089 0.000 0.963 417 R CB -1.287 29.056 30.300 0.071 0.000 0.858 417 R HN 0.308 nan 8.270 nan 0.000 0.435 418 L N 0.774 122.003 121.223 0.011 0.000 2.012 418 L HA -0.103 4.242 4.340 0.009 0.000 0.210 418 L C 2.431 179.370 176.870 0.116 0.000 1.073 418 L CA 2.067 56.891 54.840 -0.026 0.000 0.748 418 L CB -1.357 40.597 42.059 -0.176 0.000 0.891 418 L HN 0.167 nan 8.230 nan 0.000 0.431 419 A N -0.837 122.053 122.820 0.116 0.000 1.877 419 A HA -0.157 4.169 4.320 0.009 0.000 0.216 419 A C 2.423 180.076 177.584 0.115 0.000 1.186 419 A CA 1.902 54.019 52.037 0.133 0.000 0.620 419 A CB -1.005 18.116 19.000 0.200 0.000 0.822 419 A HN 0.407 nan 8.150 nan 0.000 0.443 420 A N -1.098 121.793 122.820 0.117 0.000 2.070 420 A HA -0.123 4.202 4.320 0.009 0.000 0.220 420 A C 1.680 179.325 177.584 0.101 0.000 1.159 420 A CA 1.481 53.574 52.037 0.093 0.000 0.656 420 A CB -0.337 18.715 19.000 0.087 0.000 0.800 420 A HN 0.668 nan 8.150 nan 0.000 0.453 421 Q N -1.688 118.204 119.800 0.154 0.000 2.241 421 Q HA 0.410 4.755 4.340 0.009 0.000 0.296 421 Q C 0.763 176.856 176.000 0.156 0.000 0.889 421 Q CA 0.214 56.108 55.803 0.152 0.000 1.089 421 Q CB 0.467 29.326 28.738 0.203 0.000 1.195 421 Q HN 0.729 nan 8.270 nan 0.000 0.451 422 G N 0.079 108.954 108.800 0.125 0.000 2.194 422 G HA2 -0.285 3.680 3.960 0.009 0.000 0.236 422 G HA3 -0.285 3.680 3.960 0.009 0.000 0.236 422 G C 0.310 175.288 174.900 0.131 0.000 0.987 422 G CA -0.132 45.033 45.100 0.108 0.000 0.635 422 G HN 0.565 nan 8.290 nan 0.000 0.520 423 A N -0.132 122.790 122.820 0.170 0.000 2.302 423 A HA 0.805 5.130 4.320 0.009 0.000 0.285 423 A C 0.506 178.145 177.584 0.092 0.000 1.105 423 A CA 0.389 52.513 52.037 0.145 0.000 0.816 423 A CB 0.523 19.606 19.000 0.138 0.000 1.067 423 A HN 0.891 nan 8.150 nan 0.000 0.489 424 R N 1.336 121.891 120.500 0.091 0.000 2.221 424 R HA 0.514 4.860 4.340 0.009 0.000 0.327 424 R C -1.476 174.845 176.300 0.035 0.000 1.033 424 R CA -0.027 56.098 56.100 0.042 0.000 0.887 424 R CB 0.511 30.869 30.300 0.098 0.000 1.057 424 R HN 0.436 nan 8.270 nan 0.000 0.455 425 V N 5.759 125.624 119.914 -0.081 0.000 2.555 425 V HA 0.427 4.553 4.120 0.009 0.000 0.302 425 V C -1.073 174.876 176.094 -0.241 0.000 1.038 425 V CA -0.736 61.526 62.300 -0.064 0.000 0.887 425 V CB 1.521 33.359 31.823 0.024 0.000 0.991 425 V HN 0.672 nan 8.190 nan 0.000 0.434 426 Y N 2.076 122.339 120.300 -0.062 0.000 2.409 426 Y HA 0.793 5.348 4.550 0.009 0.000 0.343 426 Y C 0.287 176.259 175.900 0.120 0.000 0.973 426 Y CA -0.512 57.555 58.100 -0.056 0.000 1.064 426 Y CB 2.276 40.377 38.460 -0.600 0.000 1.207 426 Y HN 0.765 nan 8.280 nan 0.000 0.452 427 A N 3.172 126.346 122.820 0.591 0.000 2.435 427 A HA 0.862 5.188 4.320 0.009 0.000 0.304 427 A C -1.888 176.033 177.584 0.561 0.000 1.064 427 A CA -0.674 51.586 52.037 0.371 0.000 0.727 427 A CB 1.114 20.156 19.000 0.070 0.000 1.284 427 A HN 0.746 nan 8.150 nan 0.000 0.415 428 Y N -0.547 119.969 120.300 0.361 0.000 2.644 428 Y HA 0.803 5.357 4.550 0.007 0.000 0.338 428 Y C -1.207 174.865 175.900 0.286 0.000 1.119 428 Y CA -1.713 56.553 58.100 0.277 0.000 1.060 428 Y CB 1.361 39.942 38.460 0.203 0.000 1.294 428 Y HN 0.728 nan 8.280 nan 0.000 0.472 429 I N 2.927 123.815 120.570 0.530 0.000 2.478 429 I HA 0.447 4.623 4.170 0.009 0.000 0.287 429 I C -1.928 174.530 176.117 0.570 0.000 1.042 429 I CA -0.962 60.609 61.300 0.453 0.000 1.067 429 I CB 1.041 39.257 38.000 0.359 0.000 1.233 429 I HN 0.725 nan 8.210 nan 0.000 0.431 430 F N 7.463 127.710 119.950 0.495 0.000 2.411 430 F HA 0.391 4.924 4.527 0.010 0.000 0.355 430 F C 0.541 176.491 175.800 0.250 0.000 1.117 430 F CA 0.110 58.329 58.000 0.365 0.000 1.139 430 F CB 0.919 40.149 39.000 0.384 0.000 1.120 430 F HN 0.545 nan 8.300 nan 0.000 0.493 431 E N 3.070 123.165 120.200 -0.175 0.000 2.583 431 E HA -0.011 4.344 4.350 0.009 0.000 0.213 431 E C -0.772 175.719 176.600 -0.182 0.000 0.989 431 E CA -0.182 56.172 56.400 -0.077 0.000 0.991 431 E CB 0.221 29.902 29.700 -0.033 0.000 1.040 431 E HN 0.519 nan 8.360 nan 0.000 0.481 432 H N 1.807 120.519 119.070 -0.597 0.000 2.562 432 H HA 0.215 4.776 4.556 0.008 0.000 0.314 432 H C -0.379 174.909 175.328 -0.067 0.000 1.079 432 H CA -0.547 55.228 56.048 -0.455 0.000 1.349 432 H CB 0.566 29.828 29.762 -0.834 0.000 1.432 432 H HN -0.129 nan 8.280 nan 0.000 0.479 433 R N 4.316 124.470 120.500 -0.577 0.000 2.221 433 R HA 0.497 4.842 4.340 0.009 0.000 0.327 433 R C -0.619 175.413 176.300 -0.447 0.000 1.033 433 R CA -0.648 55.272 56.100 -0.301 0.000 0.887 433 R CB 0.339 30.561 30.300 -0.130 0.000 1.057 433 R HN 0.804 nan 8.270 nan 0.000 0.455 434 A N 3.177 126.027 122.820 0.050 0.000 2.565 434 A HA -0.011 4.315 4.320 0.009 0.000 0.237 434 A C 1.350 179.032 177.584 0.162 0.000 1.053 434 A CA 0.556 52.828 52.037 0.393 0.000 0.755 434 A CB 0.286 19.642 19.000 0.594 0.000 0.980 434 A HN 1.021 nan 8.150 nan 0.000 0.506 435 S N 1.382 117.214 115.700 0.221 0.000 2.442 435 S HA -0.151 4.324 4.470 0.009 0.000 0.236 435 S C 1.326 175.917 174.600 -0.015 0.000 1.007 435 S CA 1.578 59.832 58.200 0.089 0.000 0.965 435 S CB -0.763 62.510 63.200 0.120 0.000 0.773 435 S HN 1.278 nan 8.310 nan 0.000 0.504 436 T N -0.901 113.607 114.554 -0.077 0.000 3.107 436 T HA 0.360 4.715 4.350 0.009 0.000 0.249 436 T C 0.370 175.000 174.700 -0.115 0.000 1.096 436 T CA -0.587 61.405 62.100 -0.180 0.000 1.012 436 T CB -0.432 68.185 68.868 -0.419 0.000 0.977 436 T HN 0.197 nan 8.240 nan 0.000 0.527 437 L N 4.060 125.256 121.223 -0.045 0.000 2.525 437 L HA 0.255 4.600 4.340 0.009 0.000 0.278 437 L C 1.541 178.357 176.870 -0.090 0.000 1.218 437 L CA 0.853 55.654 54.840 -0.065 0.000 0.878 437 L CB 0.860 42.881 42.059 -0.063 0.000 1.127 437 L HN 0.486 nan 8.230 nan 0.000 0.492 438 T N -0.758 113.703 114.554 -0.155 0.000 3.054 438 T HA 0.141 4.496 4.350 0.009 0.000 0.255 438 T C 0.229 174.906 174.700 -0.038 0.000 1.035 438 T CA -0.504 61.498 62.100 -0.163 0.000 0.941 438 T CB -0.282 68.367 68.868 -0.366 0.000 1.026 438 T HN 0.357 nan 8.240 nan 0.000 0.533 439 W N 3.431 124.744 121.300 0.022 0.000 2.237 439 W HA 0.478 5.144 4.660 0.010 0.000 0.335 439 W C -2.021 174.431 176.519 -0.112 0.000 1.230 439 W CA -2.296 55.068 57.345 0.032 0.000 1.253 439 W CB 0.354 29.754 29.460 -0.100 0.000 1.129 439 W HN -0.051 nan 8.180 nan 0.000 0.590 440 P HA -0.048 nan 4.420 nan 0.000 0.269 440 P C 0.534 177.777 177.300 -0.096 0.000 1.217 440 P CA 0.247 63.335 63.100 -0.021 0.000 0.783 440 P CB 0.937 32.642 31.700 0.007 0.000 0.898 441 L N 0.720 121.946 121.223 0.004 0.000 2.127 441 L HA -0.131 4.214 4.340 0.009 0.000 0.211 441 L C 2.555 179.458 176.870 0.056 0.000 1.089 441 L CA 1.321 56.176 54.840 0.026 0.000 0.757 441 L CB -0.913 41.189 42.059 0.073 0.000 0.899 441 L HN 0.618 nan 8.230 nan 0.000 0.434 442 W N -0.764 120.585 121.300 0.082 0.000 2.421 442 W HA -0.153 4.512 4.660 0.008 0.000 0.270 442 W C 1.683 178.266 176.519 0.106 0.000 1.233 442 W CA 0.494 57.891 57.345 0.086 0.000 1.226 442 W CB -0.758 28.754 29.460 0.086 0.000 1.121 442 W HN 0.197 nan 8.180 nan 0.000 0.579 443 M N 1.283 120.540 119.600 -0.572 0.000 2.562 443 M HA 0.116 4.601 4.480 0.009 0.000 0.257 443 M C 1.801 178.009 176.300 -0.153 0.000 1.099 443 M CA 1.463 56.425 55.300 -0.563 0.000 1.099 443 M CB -0.548 31.594 32.600 -0.762 0.000 1.427 443 M HN 0.195 nan 8.290 nan 0.000 0.489 444 G N 0.566 109.332 108.800 -0.056 0.000 2.591 444 G HA2 -0.293 3.673 3.960 0.009 0.000 0.298 444 G HA3 -0.293 3.673 3.960 0.009 0.000 0.298 444 G C -0.145 174.764 174.900 0.014 0.000 1.195 444 G CA -0.134 44.977 45.100 0.018 0.000 0.989 444 G HN 0.226 nan 8.290 nan 0.000 0.551 445 V N 3.825 123.789 119.914 0.083 0.000 2.270 445 V HA 0.457 4.583 4.120 0.009 0.000 0.263 445 V C -1.701 174.504 176.094 0.185 0.000 1.066 445 V CA -0.723 61.671 62.300 0.157 0.000 0.857 445 V CB 0.996 32.971 31.823 0.254 0.000 1.099 445 V HN 0.566 nan 8.190 nan 0.000 0.476 446 P HA 0.154 nan 4.420 nan 0.000 0.274 446 P C -0.200 177.280 177.300 0.301 0.000 1.256 446 P CA -0.495 62.694 63.100 0.148 0.000 0.795 446 P CB 0.386 32.036 31.700 -0.083 0.000 1.038 447 H N 0.268 119.384 119.070 0.077 0.000 3.125 447 H HA 0.244 4.805 4.556 0.008 0.000 0.310 447 H C 1.588 176.796 175.328 -0.201 0.000 0.980 447 H CA 2.364 58.410 56.048 -0.004 0.000 1.422 447 H CB -0.669 29.100 29.762 0.013 0.000 1.432 447 H HN 0.759 nan 8.280 nan 0.000 0.577 448 G N 3.397 111.947 108.800 -0.417 0.000 2.241 448 G HA2 -0.329 3.636 3.960 0.009 0.000 0.244 448 G HA3 -0.329 3.636 3.960 0.009 0.000 0.244 448 G C 0.647 175.351 174.900 -0.327 0.000 0.998 448 G CA 0.398 45.209 45.100 -0.482 0.000 0.621 448 G HN 0.647 nan 8.290 nan 0.000 0.519 449 Y N 1.712 122.066 120.300 0.090 0.000 2.462 449 Y HA 0.234 4.789 4.550 0.008 0.000 0.293 449 Y C 2.357 178.345 175.900 0.146 0.000 1.195 449 Y CA 1.041 59.253 58.100 0.188 0.000 1.276 449 Y CB 0.380 38.985 38.460 0.241 0.000 1.082 449 Y HN 0.526 nan 8.280 nan 0.000 0.514 450 E N 0.099 120.219 120.200 -0.132 0.000 2.340 450 E HA -0.048 4.308 4.350 0.009 0.000 0.194 450 E C 1.608 178.064 176.600 -0.240 0.000 0.996 450 E CA 0.549 56.517 56.400 -0.721 0.000 0.869 450 E CB -0.420 28.450 29.700 -1.383 0.000 0.835 450 E HN 0.526 nan 8.360 nan 0.000 0.493 451 I N 2.962 123.478 120.570 -0.089 0.000 2.118 451 I HA -0.328 3.848 4.170 0.009 0.000 0.241 451 I C 2.709 178.786 176.117 -0.067 0.000 1.070 451 I CA 2.239 63.521 61.300 -0.029 0.000 1.327 451 I CB -0.630 37.411 38.000 0.070 0.000 1.034 451 I HN 0.194 nan 8.210 nan 0.000 0.405 452 E N 1.111 121.217 120.200 -0.156 0.000 2.219 452 E HA -0.249 4.107 4.350 0.009 0.000 0.198 452 E C 2.025 178.361 176.600 -0.441 0.000 0.998 452 E CA 1.595 57.805 56.400 -0.316 0.000 0.818 452 E CB -0.562 28.924 29.700 -0.357 0.000 0.741 452 E HN 0.475 nan 8.360 nan 0.000 0.477 453 F N 1.272 121.097 119.950 -0.208 0.000 2.187 453 F HA -0.007 4.527 4.527 0.012 0.000 0.295 453 F C 2.387 177.958 175.800 -0.381 0.000 1.091 453 F CA 0.519 58.347 58.000 -0.287 0.000 1.308 453 F CB -0.120 38.790 39.000 -0.149 0.000 1.030 453 F HN -0.045 nan 8.300 nan 0.000 0.487 454 I N -0.876 119.542 120.570 -0.254 0.000 2.286 454 I HA -0.284 3.892 4.170 0.009 0.000 0.248 454 I C 2.013 177.904 176.117 -0.376 0.000 1.115 454 I CA 1.717 62.715 61.300 -0.503 0.000 1.392 454 I CB -1.299 36.288 38.000 -0.688 0.000 1.065 454 I HN 0.098 nan 8.210 nan 0.000 0.418 455 F N 0.915 120.674 119.950 -0.317 0.000 2.780 455 F HA 0.207 4.739 4.527 0.009 0.000 0.299 455 F C 1.910 177.579 175.800 -0.218 0.000 1.146 455 F CA 0.817 58.678 58.000 -0.232 0.000 1.428 455 F CB -0.241 38.605 39.000 -0.256 0.000 1.115 455 F HN 0.283 nan 8.300 nan 0.000 0.583 456 G N 0.000 108.652 108.800 -0.248 0.000 2.136 456 G HA2 -0.309 3.657 3.960 0.009 0.000 0.242 456 G HA3 -0.309 3.657 3.960 0.009 0.000 0.242 456 G C 1.033 175.343 174.900 -0.984 0.000 0.989 456 G CA 0.359 45.183 45.100 -0.460 0.000 0.682 456 G HN 0.308 nan 8.290 nan 0.000 0.522 457 L N 0.416 121.105 121.223 -0.890 0.000 2.129 457 L HA 0.011 4.356 4.340 0.009 0.000 0.212 457 L C 0.421 176.751 176.870 -0.900 0.000 1.087 457 L CA 2.700 56.951 54.840 -0.982 0.000 0.757 457 L CB -0.858 40.882 42.059 -0.532 0.000 0.896 457 L HN 0.228 nan 8.230 nan 0.000 0.434 458 P HA -0.139 nan 4.420 nan 0.000 0.225 458 P C 1.507 178.566 177.300 -0.401 0.000 1.148 458 P CA 0.802 63.358 63.100 -0.907 0.000 0.779 458 P CB 0.071 31.195 31.700 -0.961 0.000 0.780 459 L N -1.143 119.786 121.223 -0.489 0.000 2.465 459 L HA -0.029 4.317 4.340 0.009 0.000 0.224 459 L C 0.897 177.673 176.870 -0.157 0.000 1.145 459 L CA 1.171 55.845 54.840 -0.277 0.000 0.834 459 L CB -1.199 40.710 42.059 -0.249 0.000 0.944 459 L HN -0.031 nan 8.230 nan 0.000 0.451 460 D N -0.207 120.066 120.400 -0.213 0.000 2.393 460 D HA 0.105 4.750 4.640 0.009 0.000 0.232 460 D C -1.609 174.701 176.300 0.016 0.000 1.192 460 D CA -2.111 51.888 54.000 -0.002 0.000 0.882 460 D CB 1.524 42.356 40.800 0.054 0.000 1.038 460 D HN -0.026 nan 8.370 nan 0.000 0.499 461 P HA -0.192 nan 4.420 nan 0.000 0.217 461 P C 1.259 178.572 177.300 0.022 0.000 1.148 461 P CA 1.226 64.342 63.100 0.027 0.000 0.834 461 P CB 0.096 31.809 31.700 0.022 0.000 0.783 462 S N -1.502 114.210 115.700 0.019 0.000 2.555 462 S HA -0.024 4.451 4.470 0.009 0.000 0.230 462 S C 1.571 176.163 174.600 -0.015 0.000 0.978 462 S CA 0.609 58.810 58.200 0.002 0.000 0.934 462 S CB -1.288 61.913 63.200 0.002 0.000 0.766 462 S HN 0.128 nan 8.310 nan 0.000 0.533 463 L N 0.655 121.881 121.223 0.006 0.000 2.592 463 L HA 0.219 4.564 4.340 0.009 0.000 0.227 463 L C 0.100 176.886 176.870 -0.139 0.000 1.127 463 L CA -0.157 54.661 54.840 -0.037 0.000 0.884 463 L CB -0.707 41.399 42.059 0.077 0.000 1.065 463 L HN 0.217 nan 8.230 nan 0.000 0.457 464 N N -1.171 117.492 118.700 -0.061 0.000 2.747 464 N HA -0.231 4.514 4.740 0.009 0.000 0.249 464 N C -0.516 174.924 175.510 -0.116 0.000 1.107 464 N CA 0.855 53.852 53.050 -0.088 0.000 0.707 464 N CB -1.887 36.525 38.487 -0.126 0.000 1.054 464 N HN 0.301 nan 8.380 nan 0.000 0.555 465 Y N 0.681 120.963 120.300 -0.030 0.000 2.300 465 Y HA 0.230 4.785 4.550 0.009 0.000 0.328 465 Y C 1.894 177.816 175.900 0.036 0.000 1.270 465 Y CA 0.062 58.170 58.100 0.013 0.000 1.352 465 Y CB 0.570 39.024 38.460 -0.011 0.000 1.286 465 Y HN 0.103 nan 8.280 nan 0.000 0.536 466 T N -2.618 112.083 114.554 0.246 0.000 2.860 466 T HA 0.032 4.387 4.350 0.009 0.000 0.299 466 T C 1.121 175.904 174.700 0.138 0.000 1.045 466 T CA -0.366 61.826 62.100 0.153 0.000 1.071 466 T CB 0.904 69.855 68.868 0.138 0.000 0.985 466 T HN 0.730 nan 8.240 nan 0.000 0.537 467 T N 1.434 116.038 114.554 0.084 0.000 2.833 467 T HA -0.073 4.282 4.350 0.009 0.000 0.269 467 T C 1.684 176.420 174.700 0.060 0.000 1.054 467 T CA 1.759 63.896 62.100 0.061 0.000 1.135 467 T CB -0.356 68.535 68.868 0.038 0.000 0.869 467 T HN 0.773 nan 8.240 nan 0.000 0.466 468 E N 1.113 121.348 120.200 0.057 0.000 2.107 468 E HA -0.046 4.309 4.350 0.009 0.000 0.191 468 E C 2.199 178.842 176.600 0.072 0.000 0.982 468 E CA 0.791 57.209 56.400 0.030 0.000 0.809 468 E CB -0.131 29.556 29.700 -0.021 0.000 0.756 468 E HN 0.548 nan 8.360 nan 0.000 0.459 469 E N 0.464 120.752 120.200 0.146 0.000 2.110 469 E HA -0.151 4.205 4.350 0.009 0.000 0.193 469 E C 2.095 178.835 176.600 0.233 0.000 0.988 469 E CA 0.499 57.087 56.400 0.312 0.000 0.804 469 E CB -0.000 30.022 29.700 0.538 0.000 0.745 469 E HN 0.033 nan 8.360 nan 0.000 0.458 470 R N 1.067 121.632 120.500 0.108 0.000 2.081 470 R HA -0.127 4.218 4.340 0.009 0.000 0.235 470 R C 2.101 178.410 176.300 0.014 0.000 1.131 470 R CA 1.143 57.248 56.100 0.008 0.000 0.960 470 R CB -0.300 30.001 30.300 0.003 0.000 0.856 470 R HN 0.211 nan 8.270 nan 0.000 0.436 471 I N 0.233 120.833 120.570 0.051 0.000 2.353 471 I HA -0.234 3.942 4.170 0.009 0.000 0.248 471 I C 2.186 178.349 176.117 0.077 0.000 1.119 471 I CA 0.676 62.000 61.300 0.040 0.000 1.417 471 I CB -0.336 37.685 38.000 0.036 0.000 1.078 471 I HN 0.075 nan 8.210 nan 0.000 0.421 472 F N 1.975 121.890 119.950 -0.057 0.000 2.102 472 F HA -0.193 4.339 4.527 0.008 0.000 0.298 472 F C 2.442 178.237 175.800 -0.009 0.000 1.105 472 F CA 1.201 59.158 58.000 -0.072 0.000 1.239 472 F CB -0.728 38.171 39.000 -0.168 0.000 0.991 472 F HN 0.024 nan 8.300 nan 0.000 0.474 473 A N 0.218 122.973 122.820 -0.109 0.000 1.883 473 A HA -0.274 4.051 4.320 0.009 0.000 0.217 473 A C 2.166 179.618 177.584 -0.220 0.000 1.186 473 A CA 2.028 53.941 52.037 -0.207 0.000 0.624 473 A CB -1.032 17.855 19.000 -0.189 0.000 0.822 473 A HN 0.604 nan 8.150 nan 0.000 0.444 474 Q N -0.900 118.813 119.800 -0.147 0.000 2.096 474 Q HA -0.201 4.144 4.340 0.009 0.000 0.204 474 Q C 2.409 178.308 176.000 -0.168 0.000 0.982 474 Q CA 1.672 57.398 55.803 -0.128 0.000 0.850 474 Q CB -0.213 28.477 28.738 -0.080 0.000 0.901 474 Q HN 0.615 nan 8.270 nan 0.000 0.422 475 R N 0.311 120.699 120.500 -0.186 0.000 2.080 475 R HA -0.149 4.197 4.340 0.009 0.000 0.236 475 R C 2.343 178.385 176.300 -0.429 0.000 1.137 475 R CA 1.384 57.296 56.100 -0.312 0.000 0.943 475 R CB -0.381 29.811 30.300 -0.180 0.000 0.846 475 R HN 0.256 nan 8.270 nan 0.000 0.431 476 L N 0.028 121.087 121.223 -0.272 0.000 2.046 476 L HA -0.200 4.146 4.340 0.009 0.000 0.208 476 L C 2.553 179.400 176.870 -0.038 0.000 1.077 476 L CA 1.349 56.139 54.840 -0.084 0.000 0.747 476 L CB -0.364 41.483 42.059 -0.352 0.000 0.896 476 L HN 0.271 nan 8.230 nan 0.000 0.432 477 M N -0.819 118.689 119.600 -0.154 0.000 2.149 477 M HA -0.194 4.291 4.480 0.009 0.000 0.261 477 M C 2.277 178.576 176.300 -0.002 0.000 1.064 477 M CA 1.507 56.744 55.300 -0.104 0.000 1.102 477 M CB -0.291 32.232 32.600 -0.128 0.000 1.369 477 M HN 0.066 nan 8.290 nan 0.000 0.408 478 K N -0.171 120.196 120.400 -0.055 0.000 2.025 478 K HA -0.102 4.224 4.320 0.009 0.000 0.207 478 K C 1.867 178.524 176.600 0.095 0.000 1.049 478 K CA 1.586 57.849 56.287 -0.040 0.000 0.933 478 K CB -0.444 31.966 32.500 -0.150 0.000 0.714 478 K HN 0.323 nan 8.250 nan 0.000 0.438 479 Y N -0.241 120.183 120.300 0.207 0.000 2.128 479 Y HA -0.226 4.331 4.550 0.011 0.000 0.284 479 Y C 2.464 178.505 175.900 0.235 0.000 1.154 479 Y CA 0.848 59.106 58.100 0.263 0.000 1.149 479 Y CB -0.798 37.969 38.460 0.511 0.000 0.976 479 Y HN 0.213 nan 8.280 nan 0.000 0.505 480 W N 0.517 121.897 121.300 0.134 0.000 2.381 480 W HA -0.213 4.452 4.660 0.008 0.000 0.301 480 W C 2.483 178.994 176.519 -0.013 0.000 1.205 480 W CA 2.088 59.444 57.345 0.019 0.000 1.285 480 W CB -0.594 28.801 29.460 -0.108 0.000 1.133 480 W HN 0.234 nan 8.180 nan 0.000 0.521 481 T N -2.188 112.466 114.554 0.167 0.000 2.904 481 T HA -0.130 4.226 4.350 0.009 0.000 0.267 481 T C 1.408 176.126 174.700 0.030 0.000 1.059 481 T CA 1.131 63.260 62.100 0.049 0.000 1.137 481 T CB -0.535 68.342 68.868 0.015 0.000 0.879 481 T HN -0.078 nan 8.240 nan 0.000 0.467 482 N N 0.933 119.669 118.700 0.060 0.000 2.142 482 N HA 0.018 4.763 4.740 0.009 0.000 0.186 482 N C 1.383 176.866 175.510 -0.045 0.000 1.023 482 N CA 0.970 54.028 53.050 0.014 0.000 0.852 482 N CB -0.698 37.817 38.487 0.046 0.000 0.998 482 N HN 0.462 nan 8.380 nan 0.000 0.424 483 F N 1.821 121.675 119.950 -0.161 0.000 2.126 483 F HA -0.115 4.418 4.527 0.009 0.000 0.299 483 F C 2.169 177.877 175.800 -0.154 0.000 1.096 483 F CA 1.373 59.222 58.000 -0.251 0.000 1.255 483 F CB -0.442 38.315 39.000 -0.405 0.000 0.997 483 F HN 0.036 nan 8.300 nan 0.000 0.479 484 A N 0.502 123.219 122.820 -0.172 0.000 1.902 484 A HA -0.181 4.145 4.320 0.009 0.000 0.217 484 A C 2.363 179.823 177.584 -0.207 0.000 1.181 484 A CA 1.734 53.656 52.037 -0.192 0.000 0.623 484 A CB -0.701 18.261 19.000 -0.062 0.000 0.818 484 A HN 0.458 nan 8.150 nan 0.000 0.443 485 R N -1.193 119.216 120.500 -0.152 0.000 2.075 485 R HA -0.073 4.273 4.340 0.009 0.000 0.232 485 R C 1.981 178.186 176.300 -0.158 0.000 1.126 485 R CA 1.838 57.864 56.100 -0.122 0.000 0.963 485 R CB -0.195 30.061 30.300 -0.074 0.000 0.858 485 R HN 0.726 nan 8.270 nan 0.000 0.435 486 T N -5.503 108.926 114.554 -0.208 0.000 3.016 486 T HA 0.245 4.600 4.350 0.009 0.000 0.271 486 T C 1.106 175.651 174.700 -0.258 0.000 0.968 486 T CA 0.401 62.388 62.100 -0.189 0.000 0.891 486 T CB 1.391 70.189 68.868 -0.117 0.000 1.149 486 T HN 0.325 nan 8.240 nan 0.000 0.524 487 G N 1.274 109.766 108.800 -0.513 0.000 2.143 487 G HA2 -0.158 3.807 3.960 0.009 0.000 0.249 487 G HA3 -0.158 3.807 3.960 0.009 0.000 0.249 487 G C -0.371 174.395 174.900 -0.223 0.000 0.981 487 G CA 0.170 44.905 45.100 -0.609 0.000 0.665 487 G HN 0.807 nan 8.290 nan 0.000 0.528 488 D N -0.503 119.760 120.400 -0.227 0.000 2.686 488 D HA 0.436 5.081 4.640 0.009 0.000 0.249 488 D C -1.129 174.982 176.300 -0.315 0.000 1.260 488 D CA -1.529 52.304 54.000 -0.279 0.000 0.910 488 D CB 2.156 42.903 40.800 -0.088 0.000 1.323 488 D HN 0.012 nan 8.370 nan 0.000 0.561 489 P HA -0.089 nan 4.420 nan 0.000 0.225 489 P C 0.035 177.345 177.300 0.017 0.000 1.148 489 P CA 0.223 63.118 63.100 -0.341 0.000 0.779 489 P CB 0.391 31.537 31.700 -0.925 0.000 0.780 490 N N 1.712 120.394 118.700 -0.030 0.000 2.492 490 N HA 0.001 4.746 4.740 0.009 0.000 0.260 490 N C 0.153 175.730 175.510 0.113 0.000 1.215 490 N CA 0.424 53.556 53.050 0.138 0.000 0.923 490 N CB 0.504 39.065 38.487 0.123 0.000 1.092 490 N HN 0.094 nan 8.380 nan 0.000 0.448 491 D N 2.097 122.580 120.400 0.139 0.000 2.339 491 D HA 0.096 4.741 4.640 0.009 0.000 0.256 491 D C -1.432 174.907 176.300 0.066 0.000 1.214 491 D CA -1.575 52.475 54.000 0.082 0.000 0.877 491 D CB 1.314 42.156 40.800 0.070 0.000 1.111 491 D HN 0.246 nan 8.370 nan 0.000 0.478 492 P HA -0.148 nan 4.420 nan 0.000 0.216 492 P C 1.041 178.364 177.300 0.038 0.000 1.150 492 P CA 1.241 64.364 63.100 0.037 0.000 0.843 492 P CB 0.395 32.108 31.700 0.022 0.000 0.787 493 R N -0.393 120.128 120.500 0.035 0.000 2.072 493 R HA -0.007 4.339 4.340 0.009 0.000 0.221 493 R C 1.162 177.485 176.300 0.040 0.000 1.166 493 R CA 0.574 56.694 56.100 0.032 0.000 0.917 493 R CB -1.563 28.753 30.300 0.025 0.000 0.815 493 R HN 0.121 nan 8.270 nan 0.000 0.444 494 D N 1.618 122.043 120.400 0.043 0.000 2.536 494 D HA -0.077 4.569 4.640 0.009 0.000 0.260 494 D C 0.443 176.781 176.300 0.063 0.000 1.270 494 D CA 0.350 54.380 54.000 0.050 0.000 0.934 494 D CB 0.642 41.474 40.800 0.053 0.000 1.129 494 D HN 0.359 nan 8.370 nan 0.000 0.533 495 S N 2.528 118.262 115.700 0.056 0.000 2.492 495 S HA 0.010 4.485 4.470 0.009 0.000 0.218 495 S C 2.098 176.735 174.600 0.062 0.000 1.016 495 S CA 0.507 58.743 58.200 0.061 0.000 0.916 495 S CB 0.190 63.420 63.200 0.050 0.000 0.791 495 S HN 0.516 nan 8.310 nan 0.000 0.513 496 K N 2.419 122.852 120.400 0.054 0.000 1.987 496 K HA 0.092 4.418 4.320 0.009 0.000 0.216 496 K C 1.289 177.926 176.600 0.062 0.000 1.051 496 K CA 1.702 58.019 56.287 0.050 0.000 0.942 496 K CB -1.762 30.763 32.500 0.041 0.000 0.722 496 K HN 0.541 nan 8.250 nan 0.000 0.444 497 S N 2.353 118.098 115.700 0.075 0.000 2.573 497 S HA 0.174 4.650 4.470 0.009 0.000 0.297 497 S C -2.091 172.575 174.600 0.110 0.000 1.280 497 S CA -0.503 57.755 58.200 0.097 0.000 1.061 497 S CB 0.529 63.805 63.200 0.126 0.000 0.812 497 S HN 0.578 nan 8.310 nan 0.000 0.500 498 P HA 0.038 nan 4.420 nan 0.000 0.269 498 P C -0.568 176.821 177.300 0.148 0.000 1.215 498 P CA -0.284 62.876 63.100 0.101 0.000 0.780 498 P CB 0.473 32.214 31.700 0.069 0.000 0.898 499 Q N 0.592 120.483 119.800 0.152 0.000 2.306 499 Q HA 0.158 4.504 4.340 0.009 0.000 0.241 499 Q C -0.454 175.714 176.000 0.279 0.000 0.948 499 Q CA 0.099 56.030 55.803 0.212 0.000 0.886 499 Q CB 0.782 29.630 28.738 0.183 0.000 1.227 499 Q HN 0.593 nan 8.270 nan 0.000 0.457 500 W N 5.870 127.238 121.300 0.113 0.000 2.311 500 W HA 0.322 4.987 4.660 0.008 0.000 0.317 500 W C -2.502 174.166 176.519 0.248 0.000 1.065 500 W CA -2.512 54.910 57.345 0.128 0.000 1.364 500 W CB 0.492 29.974 29.460 0.036 0.000 1.233 500 W HN 0.383 nan 8.180 nan 0.000 0.409 501 P HA 0.303 nan 4.420 nan 0.000 0.281 501 P C -2.623 174.839 177.300 0.271 0.000 1.249 501 P CA -1.710 61.599 63.100 0.347 0.000 0.810 501 P CB 1.236 33.057 31.700 0.202 0.000 1.008 502 P HA 0.061 nan 4.420 nan 0.000 0.269 502 P C -0.719 176.554 177.300 -0.045 0.000 1.215 502 P CA 0.310 63.179 63.100 -0.385 0.000 0.780 502 P CB 0.058 31.546 31.700 -0.354 0.000 0.898 503 Y N 2.105 122.325 120.300 -0.134 0.000 2.308 503 Y HA 0.474 5.032 4.550 0.015 0.000 0.329 503 Y C -0.005 175.882 175.900 -0.021 0.000 1.111 503 Y CA 0.152 58.254 58.100 0.003 0.000 1.179 503 Y CB 0.597 39.085 38.460 0.047 0.000 1.201 503 Y HN 0.384 nan 8.280 nan 0.000 0.483 504 T N 0.259 114.505 114.554 -0.513 0.000 2.906 504 T HA 0.228 4.583 4.350 0.009 0.000 0.295 504 T C 0.826 175.252 174.700 -0.456 0.000 1.061 504 T CA -0.217 61.693 62.100 -0.316 0.000 1.000 504 T CB 1.236 70.006 68.868 -0.163 0.000 1.103 504 T HN 0.697 nan 8.240 nan 0.000 0.486 505 T N -0.576 113.868 114.554 -0.183 0.000 2.833 505 T HA -0.022 4.334 4.350 0.009 0.000 0.269 505 T C 2.172 176.808 174.700 -0.107 0.000 1.054 505 T CA 1.044 63.080 62.100 -0.107 0.000 1.135 505 T CB -0.752 68.116 68.868 -0.000 0.000 0.869 505 T HN 0.859 nan 8.240 nan 0.000 0.466 506 A N 1.959 124.720 122.820 -0.098 0.000 1.832 506 A HA 0.492 4.817 4.320 0.009 0.000 0.214 506 A C 2.755 180.292 177.584 -0.080 0.000 1.200 506 A CA 1.640 53.638 52.037 -0.065 0.000 0.610 506 A CB -1.335 17.638 19.000 -0.045 0.000 0.842 506 A HN 0.753 nan 8.150 nan 0.000 0.444 507 A N -2.134 120.617 122.820 -0.114 0.000 2.081 507 A HA 0.207 4.532 4.320 0.009 0.000 0.214 507 A C 1.009 178.516 177.584 -0.128 0.000 1.158 507 A CA 0.934 52.916 52.037 -0.092 0.000 0.724 507 A CB -0.352 18.611 19.000 -0.063 0.000 0.826 507 A HN 0.593 nan 8.150 nan 0.000 0.463 508 Q N -0.404 119.196 119.800 -0.334 0.000 2.457 508 Q HA -0.230 4.115 4.340 0.009 0.000 0.283 508 Q C -0.704 175.296 176.000 -0.001 0.000 1.234 508 Q CA 0.724 56.264 55.803 -0.439 0.000 0.877 508 Q CB -1.771 26.918 28.738 -0.082 0.000 1.250 508 Q HN 0.848 nan 8.270 nan 0.000 0.481 509 Q N 0.268 120.074 119.800 0.011 0.000 2.299 509 Q HA 0.507 4.852 4.340 0.009 0.000 0.246 509 Q C -0.377 175.906 176.000 0.473 0.000 0.935 509 Q CA -0.017 55.908 55.803 0.203 0.000 0.887 509 Q CB 0.628 29.427 28.738 0.101 0.000 1.223 509 Q HN 0.339 nan 8.270 nan 0.000 0.439 510 Y N -2.111 118.315 120.300 0.210 0.000 2.609 510 Y HA 0.657 5.217 4.550 0.016 0.000 0.336 510 Y C -1.265 174.646 175.900 0.018 0.000 1.129 510 Y CA -1.541 56.675 58.100 0.194 0.000 1.040 510 Y CB 0.426 39.002 38.460 0.193 0.000 1.310 510 Y HN 0.378 nan 8.280 nan 0.000 0.460 511 V N -0.230 119.575 119.914 -0.181 0.000 2.881 511 V HA 0.872 4.997 4.120 0.009 0.000 0.316 511 V C -0.162 175.816 176.094 -0.194 0.000 1.070 511 V CA -0.593 61.467 62.300 -0.399 0.000 0.976 511 V CB 1.315 32.669 31.823 -0.782 0.000 1.038 511 V HN 1.153 nan 8.190 nan 0.000 0.446 512 S N 3.119 118.711 115.700 -0.180 0.000 2.499 512 S HA 0.729 5.204 4.470 0.009 0.000 0.279 512 S C -0.546 174.011 174.600 -0.072 0.000 1.219 512 S CA -0.673 57.499 58.200 -0.047 0.000 1.062 512 S CB 0.725 63.890 63.200 -0.059 0.000 0.978 512 S HN 0.726 nan 8.310 nan 0.000 0.489 513 L N 4.015 125.241 121.223 0.004 0.000 2.294 513 L HA 0.543 4.888 4.340 0.009 0.000 0.283 513 L C -0.337 176.433 176.870 -0.168 0.000 1.015 513 L CA -0.396 54.469 54.840 0.041 0.000 0.831 513 L CB 0.368 42.549 42.059 0.203 0.000 1.217 513 L HN 0.964 nan 8.230 nan 0.000 0.420 514 N N 2.078 120.600 118.700 -0.297 0.000 3.364 514 N HA 0.302 5.047 4.740 0.009 0.000 0.294 514 N C 0.234 175.161 175.510 -0.972 0.000 1.562 514 N CA -0.970 51.613 53.050 -0.779 0.000 0.862 514 N CB 0.557 38.785 38.487 -0.431 0.000 1.691 514 N HN 0.201 nan 8.380 nan 0.000 0.572 515 L N -1.081 119.588 121.223 -0.923 0.000 2.191 515 L HA 0.004 4.350 4.340 0.009 0.000 0.212 515 L C 0.500 177.189 176.870 -0.301 0.000 1.103 515 L CA 1.149 55.596 54.840 -0.655 0.000 0.769 515 L CB -0.607 41.158 42.059 -0.489 0.000 0.908 515 L HN 0.427 nan 8.230 nan 0.000 0.438 516 K N -0.193 120.067 120.400 -0.233 0.000 2.138 516 K HA 0.237 4.563 4.320 0.009 0.000 0.251 516 K C -2.158 174.401 176.600 -0.068 0.000 1.015 516 K CA -1.637 54.578 56.287 -0.120 0.000 0.917 516 K CB 0.001 32.441 32.500 -0.100 0.000 1.021 516 K HN -0.217 nan 8.250 nan 0.000 0.485 517 P HA -0.045 nan 4.420 nan 0.000 0.269 517 P C -0.467 176.840 177.300 0.012 0.000 1.217 517 P CA -0.095 63.018 63.100 0.021 0.000 0.783 517 P CB 0.397 32.110 31.700 0.022 0.000 0.898 518 L N 1.515 122.767 121.223 0.048 0.000 2.593 518 L HA -0.077 4.269 4.340 0.009 0.000 0.287 518 L C 1.049 177.888 176.870 -0.051 0.000 1.243 518 L CA 0.994 55.822 54.840 -0.021 0.000 0.890 518 L CB -0.254 41.799 42.059 -0.011 0.000 1.134 518 L HN 0.520 nan 8.230 nan 0.000 0.502 519 E N 2.896 123.034 120.200 -0.103 0.000 2.234 519 E HA 0.426 4.782 4.350 0.009 0.000 0.266 519 E C -1.443 175.059 176.600 -0.164 0.000 0.877 519 E CA -0.761 55.578 56.400 -0.102 0.000 0.758 519 E CB 2.078 31.723 29.700 -0.092 0.000 1.170 519 E HN 0.293 nan 8.360 nan 0.000 0.415 520 V N 4.817 124.650 119.914 -0.136 0.000 2.509 520 V HA 0.458 4.583 4.120 0.009 0.000 0.284 520 V C 0.258 176.213 176.094 -0.232 0.000 1.047 520 V CA -0.237 61.957 62.300 -0.177 0.000 0.952 520 V CB 1.172 32.950 31.823 -0.075 0.000 0.988 520 V HN 0.707 nan 8.190 nan 0.000 0.469 521 R N 3.737 123.977 120.500 -0.434 0.000 2.912 521 R HA 0.733 5.078 4.340 0.009 0.000 0.262 521 R C -0.942 175.188 176.300 -0.282 0.000 1.057 521 R CA -1.057 54.785 56.100 -0.430 0.000 0.981 521 R CB 2.448 32.347 30.300 -0.669 0.000 1.201 521 R HN 0.577 nan 8.270 nan 0.000 0.484 522 R N -0.023 120.478 120.500 0.001 0.000 2.599 522 R HA 0.485 4.830 4.340 0.009 0.000 0.295 522 R C -0.710 175.784 176.300 0.323 0.000 0.963 522 R CA -0.572 55.630 56.100 0.170 0.000 0.883 522 R CB 2.175 32.525 30.300 0.084 0.000 1.171 522 R HN 0.894 nan 8.270 nan 0.000 0.450 523 G N 2.286 111.303 108.800 0.361 0.000 3.429 523 G HA2 -0.224 3.741 3.960 0.009 0.000 0.605 523 G HA3 -0.224 3.741 3.960 0.009 0.000 0.605 523 G C -0.945 174.103 174.900 0.247 0.000 0.973 523 G CA -0.828 44.439 45.100 0.278 0.000 0.774 523 G HN 0.409 nan 8.290 nan 0.000 0.422 524 L N 4.172 125.440 121.223 0.075 0.000 2.385 524 L HA 0.500 4.845 4.340 0.009 0.000 0.285 524 L C 1.634 178.507 176.870 0.005 0.000 1.125 524 L CA -0.232 54.502 54.840 -0.178 0.000 0.890 524 L CB -0.169 41.721 42.059 -0.282 0.000 1.251 524 L HN 0.687 nan 8.230 nan 0.000 0.445 525 R N 3.265 123.804 120.500 0.064 0.000 3.301 525 R HA -0.299 4.047 4.340 0.009 0.000 0.249 525 R C 1.359 177.749 176.300 0.151 0.000 0.964 525 R CA 0.642 56.820 56.100 0.131 0.000 0.653 525 R CB -1.922 28.470 30.300 0.152 0.000 1.043 525 R HN 0.842 nan 8.270 nan 0.000 0.454 526 A N 0.633 123.538 122.820 0.141 0.000 1.873 526 A HA -0.275 4.050 4.320 0.009 0.000 0.218 526 A C 2.073 179.748 177.584 0.151 0.000 1.193 526 A CA 1.414 53.536 52.037 0.142 0.000 0.629 526 A CB -0.141 18.937 19.000 0.131 0.000 0.826 526 A HN 0.409 nan 8.150 nan 0.000 0.447 527 Q N -0.781 119.108 119.800 0.148 0.000 2.020 527 Q HA -0.121 4.225 4.340 0.009 0.000 0.202 527 Q C 2.315 178.437 176.000 0.205 0.000 0.982 527 Q CA 2.151 58.048 55.803 0.157 0.000 0.838 527 Q CB -1.295 27.524 28.738 0.136 0.000 0.899 527 Q HN 0.659 nan 8.270 nan 0.000 0.423 528 T N 0.541 115.239 114.554 0.241 0.000 2.788 528 T HA -0.135 4.221 4.350 0.009 0.000 0.268 528 T C 1.965 176.888 174.700 0.373 0.000 1.044 528 T CA 1.252 63.522 62.100 0.282 0.000 1.139 528 T CB -0.275 68.807 68.868 0.356 0.000 0.867 528 T HN 0.325 nan 8.240 nan 0.000 0.454 529 c N 1.414 120.215 118.600 0.335 0.000 2.456 529 c HA 0.304 4.880 4.570 0.009 0.000 0.279 529 c C 3.044 177.294 174.090 0.267 0.000 1.427 529 c CA -0.101 56.437 56.329 0.349 0.000 1.778 529 c CB -1.402 41.242 42.510 0.224 0.000 1.842 529 c HN 0.633 nan 8.230 nan 0.000 0.531 530 A N 0.145 123.094 122.820 0.215 0.000 1.930 530 A HA -0.125 4.200 4.320 0.009 0.000 0.217 530 A C 1.823 179.514 177.584 0.178 0.000 1.175 530 A CA 1.271 53.411 52.037 0.171 0.000 0.627 530 A CB -0.692 18.397 19.000 0.149 0.000 0.815 530 A HN 0.537 nan 8.150 nan 0.000 0.443 531 F N -0.577 119.371 119.950 -0.002 0.000 2.075 531 F HA -0.171 4.361 4.527 0.008 0.000 0.297 531 F C 1.929 177.690 175.800 -0.064 0.000 1.113 531 F CA 1.750 59.674 58.000 -0.127 0.000 1.218 531 F CB -0.624 38.035 39.000 -0.569 0.000 0.984 531 F HN 0.365 nan 8.300 nan 0.000 0.472 532 W N 0.703 121.938 121.300 -0.109 0.000 2.381 532 W HA -0.127 4.537 4.660 0.006 0.000 0.301 532 W C 2.191 178.633 176.519 -0.128 0.000 1.205 532 W CA 1.064 58.299 57.345 -0.184 0.000 1.285 532 W CB -0.652 28.839 29.460 0.052 0.000 1.133 532 W HN -0.013 nan 8.180 nan 0.000 0.521 533 N N -0.329 118.482 118.700 0.185 0.000 2.395 533 N HA 0.023 4.768 4.740 0.009 0.000 0.175 533 N C 1.463 176.997 175.510 0.041 0.000 1.029 533 N CA 0.947 54.056 53.050 0.098 0.000 0.897 533 N CB -0.184 38.363 38.487 0.101 0.000 0.991 533 N HN 0.264 nan 8.380 nan 0.000 0.441 534 R N -1.382 119.143 120.500 0.042 0.000 2.215 534 R HA 0.231 4.577 4.340 0.009 0.000 0.190 534 R C 1.470 177.780 176.300 0.016 0.000 0.968 534 R CA -0.070 56.053 56.100 0.039 0.000 1.122 534 R CB -0.254 30.095 30.300 0.083 0.000 1.151 534 R HN 0.032 nan 8.270 nan 0.000 0.582 535 F N 1.895 121.773 119.950 -0.119 0.000 2.094 535 F HA 0.065 4.597 4.527 0.009 0.000 0.291 535 F C 1.862 177.523 175.800 -0.232 0.000 1.109 535 F CA 1.172 59.083 58.000 -0.149 0.000 1.221 535 F CB -0.292 38.642 39.000 -0.110 0.000 1.014 535 F HN -0.157 nan 8.300 nan 0.000 0.473 536 L N 0.521 121.362 121.223 -0.637 0.000 2.051 536 L HA -0.222 4.123 4.340 0.009 0.000 0.214 536 L C -0.384 176.223 176.870 -0.438 0.000 1.076 536 L CA 1.973 56.422 54.840 -0.651 0.000 0.758 536 L CB -2.212 39.533 42.059 -0.523 0.000 0.890 536 L HN 0.186 nan 8.230 nan 0.000 0.433 537 P HA -0.184 nan 4.420 nan 0.000 0.214 537 P C 1.416 178.578 177.300 -0.230 0.000 1.163 537 P CA 1.396 64.385 63.100 -0.186 0.000 0.883 537 P CB -0.009 31.624 31.700 -0.111 0.000 0.788 538 K N -1.059 119.176 120.400 -0.274 0.000 2.211 538 K HA -0.152 4.174 4.320 0.009 0.000 0.204 538 K C 1.938 178.339 176.600 -0.332 0.000 1.047 538 K CA 0.872 57.008 56.287 -0.250 0.000 0.935 538 K CB -0.780 31.607 32.500 -0.188 0.000 0.728 538 K HN 0.044 nan 8.250 nan 0.000 0.452 539 L N 1.193 122.075 121.223 -0.569 0.000 2.017 539 L HA -0.153 4.193 4.340 0.009 0.000 0.208 539 L C 1.990 178.713 176.870 -0.244 0.000 1.073 539 L CA 1.376 55.930 54.840 -0.477 0.000 0.745 539 L CB -0.668 41.025 42.059 -0.610 0.000 0.894 539 L HN 0.084 nan 8.230 nan 0.000 0.432 540 L N -0.294 120.794 121.223 -0.226 0.000 2.137 540 L HA -0.185 4.161 4.340 0.009 0.000 0.213 540 L C 1.438 178.249 176.870 -0.098 0.000 1.085 540 L CA 1.488 56.247 54.840 -0.134 0.000 0.760 540 L CB -0.836 41.152 42.059 -0.119 0.000 0.893 540 L HN 0.291 nan 8.230 nan 0.000 0.434 541 S N 0.863 116.501 115.700 -0.104 0.000 4.183 541 S HA 0.638 5.113 4.470 0.009 0.000 0.195 541 S C 0.150 174.714 174.600 -0.060 0.000 1.421 541 S CA 0.242 58.400 58.200 -0.070 0.000 0.920 541 S CB -0.904 62.257 63.200 -0.065 0.000 1.525 541 S HN 0.709 nan 8.310 nan 0.000 0.447 542 A N 0.000 122.789 122.820 -0.052 0.000 2.254 542 A HA 0.000 4.325 4.320 0.009 0.000 0.244 542 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 542 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486