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 2xui_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 LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV 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 S VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.415 56.400 0.026 0.000 0.976 1 E CB 0.000 29.714 29.700 0.024 0.000 0.812 2 G N 1.048 109.858 108.800 0.016 0.000 3.969 2 G HA2 0.110 4.076 3.960 0.010 0.000 0.291 2 G HA3 0.110 4.076 3.960 0.010 0.000 0.291 2 G C 0.279 175.188 174.900 0.015 0.000 1.016 2 G CA -0.223 44.887 45.100 0.016 0.000 0.819 2 G HN -0.016 nan 8.290 nan 0.000 0.493 3 R N 0.875 121.384 120.500 0.015 0.000 2.652 3 R HA 0.529 4.875 4.340 0.010 0.000 0.272 3 R C 0.267 176.578 176.300 0.019 0.000 1.162 3 R CA -0.258 55.850 56.100 0.014 0.000 1.199 3 R CB 0.096 30.403 30.300 0.011 0.000 1.166 3 R HN 0.462 nan 8.270 nan 0.000 0.597 4 E N 0.474 120.685 120.200 0.019 0.000 7.757 4 E HA -0.174 4.182 4.350 0.010 0.000 0.466 4 E C -1.485 175.136 176.600 0.036 0.000 0.632 4 E CA -0.084 56.331 56.400 0.024 0.000 1.317 4 E CB 0.069 29.784 29.700 0.024 0.000 0.966 4 E HN 0.606 nan 8.360 nan 0.000 0.262 5 D N 5.072 125.500 120.400 0.047 0.000 2.382 5 D HA 0.099 4.745 4.640 0.010 0.000 0.259 5 D C -1.219 175.121 176.300 0.067 0.000 1.224 5 D CA -1.282 52.761 54.000 0.072 0.000 0.894 5 D CB 0.953 41.818 40.800 0.110 0.000 1.127 5 D HN 0.209 nan 8.370 nan 0.000 0.487 6 P HA -0.091 nan 4.420 nan 0.000 0.230 6 P C 0.720 178.035 177.300 0.025 0.000 1.158 6 P CA 0.704 63.824 63.100 0.033 0.000 0.769 6 P CB 0.431 32.140 31.700 0.016 0.000 0.807 7 Q N -0.789 119.021 119.800 0.016 0.000 2.403 7 Q HA 0.192 4.538 4.340 0.010 0.000 0.203 7 Q C 1.420 177.470 176.000 0.083 0.000 0.932 7 Q CA 0.380 56.158 55.803 -0.042 0.000 0.945 7 Q CB -0.197 28.358 28.738 -0.304 0.000 1.045 7 Q HN 0.267 nan 8.270 nan 0.000 0.511 8 L N -0.131 121.176 121.223 0.141 0.000 2.959 8 L HA 0.290 4.636 4.340 0.010 0.000 0.259 8 L C -0.559 176.482 176.870 0.285 0.000 1.185 8 L CA -0.110 54.858 54.840 0.212 0.000 0.998 8 L CB 0.653 42.762 42.059 0.083 0.000 1.337 8 L HN 0.064 nan 8.230 nan 0.000 0.555 9 L N 1.011 122.348 121.223 0.190 0.000 2.265 9 L HA 0.529 4.875 4.340 0.010 0.000 0.289 9 L C -0.728 176.181 176.870 0.066 0.000 1.033 9 L CA -0.444 54.483 54.840 0.145 0.000 0.814 9 L CB 1.703 43.809 42.059 0.078 0.000 1.203 9 L HN -0.198 nan 8.230 nan 0.000 0.423 10 V N 3.573 123.504 119.914 0.028 0.000 2.789 10 V HA 0.483 4.609 4.120 0.010 0.000 0.311 10 V C -0.329 175.678 176.094 -0.145 0.000 1.073 10 V CA -0.777 61.392 62.300 -0.219 0.000 0.921 10 V CB 2.720 34.117 31.823 -0.711 0.000 1.009 10 V HN 0.689 nan 8.190 nan 0.000 0.426 11 R N 2.463 122.847 120.500 -0.193 0.000 2.393 11 R HA 0.780 5.126 4.340 0.010 0.000 0.310 11 R C -0.769 175.423 176.300 -0.179 0.000 0.968 11 R CA -0.306 55.718 56.100 -0.127 0.000 0.867 11 R CB 1.702 31.933 30.300 -0.116 0.000 1.124 11 R HN 0.714 nan 8.270 nan 0.000 0.450 12 V N 1.850 121.713 119.914 -0.084 0.000 3.166 12 V HA 0.480 4.606 4.120 0.010 0.000 0.317 12 V C 1.188 177.194 176.094 -0.146 0.000 1.136 12 V CA -1.002 61.240 62.300 -0.098 0.000 1.035 12 V CB 1.618 33.508 31.823 0.112 0.000 1.110 12 V HN 0.839 nan 8.190 nan 0.000 0.450 13 R N 1.285 121.681 120.500 -0.173 0.000 2.185 13 R HA -0.052 4.294 4.340 0.010 0.000 0.247 13 R C 1.671 177.835 176.300 -0.226 0.000 1.159 13 R CA 2.351 58.350 56.100 -0.168 0.000 0.988 13 R CB -1.006 29.212 30.300 -0.137 0.000 0.871 13 R HN 1.045 nan 8.270 nan 0.000 0.458 14 G N -2.159 106.452 108.800 -0.314 0.000 2.887 14 G HA2 0.431 4.397 3.960 0.010 0.000 0.211 14 G HA3 0.431 4.397 3.960 0.010 0.000 0.211 14 G C 0.322 174.276 174.900 -1.577 0.000 1.152 14 G CA 0.245 44.884 45.100 -0.769 0.000 0.769 14 G HN 0.702 nan 8.290 nan 0.000 0.541 15 G N -0.760 107.458 108.800 -0.971 0.000 2.302 15 G HA2 0.107 4.073 3.960 0.010 0.000 0.276 15 G HA3 0.107 4.073 3.960 0.010 0.000 0.276 15 G C -1.150 173.687 174.900 -0.106 0.000 1.316 15 G CA -0.981 43.686 45.100 -0.722 0.000 0.988 15 G HN 0.299 nan 8.290 nan 0.000 0.479 16 Q N -0.239 119.640 119.800 0.131 0.000 2.293 16 Q HA 0.647 4.993 4.340 0.010 0.000 0.251 16 Q C -0.448 175.815 176.000 0.439 0.000 0.930 16 Q CA -0.018 55.927 55.803 0.237 0.000 0.893 16 Q CB 1.742 30.575 28.738 0.159 0.000 1.215 16 Q HN 0.458 nan 8.270 nan 0.000 0.425 17 L N 1.618 123.039 121.223 0.329 0.000 2.362 17 L HA 0.585 4.931 4.340 0.010 0.000 0.271 17 L C -0.273 176.786 176.870 0.315 0.000 1.002 17 L CA -0.794 54.259 54.840 0.355 0.000 0.818 17 L CB 2.104 44.426 42.059 0.438 0.000 1.298 17 L HN 0.481 nan 8.230 nan 0.000 0.420 18 R N 1.204 121.855 120.500 0.252 0.000 2.343 18 R HA 0.618 4.964 4.340 0.010 0.000 0.320 18 R C -0.250 176.122 176.300 0.121 0.000 0.956 18 R CA -0.295 55.919 56.100 0.190 0.000 0.836 18 R CB 1.642 31.999 30.300 0.095 0.000 1.151 18 R HN 0.834 nan 8.270 nan 0.000 0.450 19 G N 3.393 112.189 108.800 -0.007 0.000 2.531 19 G HA2 0.437 4.403 3.960 0.010 0.000 0.281 19 G HA3 0.437 4.403 3.960 0.010 0.000 0.281 19 G C -0.841 173.841 174.900 -0.363 0.000 1.382 19 G CA -0.670 44.109 45.100 -0.534 0.000 1.045 19 G HN 0.582 nan 8.290 nan 0.000 0.533 20 I N -0.566 119.740 120.570 -0.440 0.000 2.656 20 I HA 0.419 4.594 4.170 0.010 0.000 0.292 20 I C -0.297 175.683 176.117 -0.229 0.000 1.144 20 I CA -1.004 60.140 61.300 -0.260 0.000 1.038 20 I CB 2.061 39.920 38.000 -0.234 0.000 1.244 20 I HN 0.455 nan 8.210 nan 0.000 0.420 21 R N 8.129 128.530 120.500 -0.163 0.000 2.242 21 R HA 0.461 4.807 4.340 0.010 0.000 0.334 21 R C -1.620 174.558 176.300 -0.203 0.000 1.071 21 R CA -0.249 55.721 56.100 -0.216 0.000 0.922 21 R CB 0.318 30.423 30.300 -0.325 0.000 1.023 21 R HN 0.618 nan 8.270 nan 0.000 0.458 22 L N 3.846 124.972 121.223 -0.162 0.000 2.358 22 L HA 0.460 4.806 4.340 0.010 0.000 0.268 22 L C 0.134 176.925 176.870 -0.132 0.000 1.032 22 L CA -0.992 53.775 54.840 -0.123 0.000 0.805 22 L CB 1.568 43.588 42.059 -0.064 0.000 1.253 22 L HN 0.476 nan 8.230 nan 0.000 0.452 23 K N 1.222 121.555 120.400 -0.112 0.000 2.211 23 K HA 0.649 4.975 4.320 0.010 0.000 0.275 23 K C -0.633 175.902 176.600 -0.109 0.000 1.024 23 K CA -0.359 55.867 56.287 -0.102 0.000 0.887 23 K CB 1.710 34.164 32.500 -0.077 0.000 1.084 23 K HN 0.657 nan 8.250 nan 0.000 0.463 24 A N 4.045 126.804 122.820 -0.103 0.000 2.322 24 A HA 0.489 4.815 4.320 0.010 0.000 0.327 24 A C -1.966 175.610 177.584 -0.014 0.000 1.134 24 A CA -1.691 50.278 52.037 -0.114 0.000 0.831 24 A CB 0.589 19.495 19.000 -0.157 0.000 1.288 24 A HN 0.460 nan 8.150 nan 0.000 0.472 25 P HA -0.140 nan 4.420 nan 0.000 0.216 25 P C 1.388 178.713 177.300 0.042 0.000 1.154 25 P CA 2.194 65.336 63.100 0.069 0.000 0.865 25 P CB 0.188 31.959 31.700 0.118 0.000 0.789 26 G N -2.323 106.504 108.800 0.044 0.000 2.880 26 G HA2 0.414 4.380 3.960 0.010 0.000 0.209 26 G HA3 0.414 4.380 3.960 0.010 0.000 0.209 26 G C 0.585 175.498 174.900 0.021 0.000 1.157 26 G CA 0.554 45.674 45.100 0.033 0.000 0.779 26 G HN 0.641 nan 8.290 nan 0.000 0.539 27 G N -0.807 107.998 108.800 0.008 0.000 2.369 27 G HA2 0.348 4.314 3.960 0.010 0.000 0.293 27 G HA3 0.348 4.314 3.960 0.010 0.000 0.293 27 G C -3.444 171.441 174.900 -0.026 0.000 1.301 27 G CA -0.738 44.360 45.100 -0.003 0.000 0.913 27 G HN 0.058 nan 8.290 nan 0.000 0.540 28 P HA 0.536 nan 4.420 nan 0.000 0.278 28 P C -0.011 177.281 177.300 -0.013 0.000 1.238 28 P CA -0.455 62.570 63.100 -0.125 0.000 0.794 28 P CB 1.625 33.119 31.700 -0.343 0.000 0.955 29 V N -0.797 119.108 119.914 -0.016 0.000 3.001 29 V HA 0.677 4.803 4.120 0.010 0.000 0.314 29 V C -0.457 175.724 176.094 0.145 0.000 1.099 29 V CA -0.800 61.574 62.300 0.124 0.000 0.989 29 V CB 1.994 33.895 31.823 0.129 0.000 1.040 29 V HN 0.397 nan 8.190 nan 0.000 0.434 30 S N 2.356 118.216 115.700 0.266 0.000 2.499 30 S HA 0.831 5.307 4.470 0.010 0.000 0.279 30 S C 0.056 174.676 174.600 0.033 0.000 1.219 30 S CA 0.064 58.371 58.200 0.177 0.000 1.062 30 S CB 1.121 64.531 63.200 0.350 0.000 0.978 30 S HN 1.572 nan 8.310 nan 0.000 0.489 31 A N 2.861 125.504 122.820 -0.294 0.000 2.356 31 A HA 0.800 5.126 4.320 0.010 0.000 0.310 31 A C -1.221 175.965 177.584 -0.663 0.000 1.075 31 A CA -0.635 51.129 52.037 -0.456 0.000 0.746 31 A CB 0.486 19.186 19.000 -0.500 0.000 1.221 31 A HN 0.676 nan 8.150 nan 0.000 0.443 32 F N 2.800 122.585 119.950 -0.276 0.000 2.430 32 F HA 0.482 5.015 4.527 0.010 0.000 0.362 32 F C -0.208 175.425 175.800 -0.278 0.000 1.103 32 F CA -0.328 57.590 58.000 -0.137 0.000 1.045 32 F CB 1.296 40.367 39.000 0.118 0.000 1.276 32 F HN 0.345 nan 8.300 nan 0.000 0.444 33 L N 2.041 123.137 121.223 -0.212 0.000 2.334 33 L HA 0.694 5.040 4.340 0.010 0.000 0.276 33 L C 0.932 177.720 176.870 -0.137 0.000 1.014 33 L CA -1.058 53.590 54.840 -0.319 0.000 0.815 33 L CB 1.768 43.443 42.059 -0.641 0.000 1.268 33 L HN 0.814 nan 8.230 nan 0.000 0.428 34 G N 2.989 111.770 108.800 -0.031 0.000 2.246 34 G HA2 -0.268 3.698 3.960 0.010 0.000 0.273 34 G HA3 -0.268 3.698 3.960 0.010 0.000 0.273 34 G C -0.053 174.916 174.900 0.116 0.000 1.055 34 G CA -0.241 44.870 45.100 0.018 0.000 0.851 34 G HN 0.488 nan 8.290 nan 0.000 0.500 35 I N 2.145 122.789 120.570 0.124 0.000 2.517 35 I HA 0.203 4.379 4.170 0.010 0.000 0.285 35 I C -1.336 174.885 176.117 0.173 0.000 1.106 35 I CA -1.870 59.509 61.300 0.132 0.000 1.402 35 I CB 0.838 38.886 38.000 0.079 0.000 1.399 35 I HN -0.001 nan 8.210 nan 0.000 0.535 36 P HA 0.063 nan 4.420 nan 0.000 0.280 36 P C -0.267 177.009 177.300 -0.039 0.000 1.244 36 P CA -0.031 62.976 63.100 -0.155 0.000 0.784 36 P CB 0.592 32.182 31.700 -0.184 0.000 0.913 37 F N 0.750 120.558 119.950 -0.237 0.000 2.706 37 F HA 0.724 5.257 4.527 0.010 0.000 0.313 37 F C 0.038 175.832 175.800 -0.011 0.000 1.096 37 F CA -0.703 57.224 58.000 -0.120 0.000 1.219 37 F CB 0.224 39.029 39.000 -0.326 0.000 1.051 37 F HN 0.314 nan 8.300 nan 0.000 0.568 38 A N 0.170 122.679 122.820 -0.518 0.000 2.556 38 A HA 0.589 4.915 4.320 0.010 0.000 0.294 38 A C -0.808 176.618 177.584 -0.263 0.000 1.091 38 A CA -0.762 51.079 52.037 -0.326 0.000 0.704 38 A CB 1.032 19.754 19.000 -0.462 0.000 1.300 38 A HN 0.069 nan 8.150 nan 0.000 0.406 39 E N 1.307 121.430 120.200 -0.128 0.000 2.414 39 E HA 0.225 4.581 4.350 0.010 0.000 0.263 39 E C -2.294 174.213 176.600 -0.156 0.000 1.000 39 E CA -1.267 55.072 56.400 -0.102 0.000 0.914 39 E CB 0.049 29.726 29.700 -0.038 0.000 0.948 39 E HN 0.245 nan 8.360 nan 0.000 0.444 40 P HA -0.003 nan 4.420 nan 0.000 0.261 40 P C -2.247 174.986 177.300 -0.113 0.000 1.183 40 P CA -0.757 62.256 63.100 -0.145 0.000 0.761 40 P CB -0.084 31.567 31.700 -0.081 0.000 0.785 41 P HA 0.015 nan 4.420 nan 0.000 0.220 41 P C -0.253 176.986 177.300 -0.102 0.000 1.806 41 P CA 0.083 63.122 63.100 -0.101 0.000 0.976 41 P CB -0.109 31.531 31.700 -0.100 0.000 1.952 42 V N -2.482 117.380 119.914 -0.087 0.000 3.177 42 V HA 0.907 5.033 4.120 0.010 0.000 0.319 42 V C 0.976 177.025 176.094 -0.074 0.000 1.125 42 V CA 0.136 62.385 62.300 -0.087 0.000 1.029 42 V CB 0.811 32.594 31.823 -0.067 0.000 1.119 42 V HN 0.541 nan 8.190 nan 0.000 0.452 43 G N 2.166 110.922 108.800 -0.072 0.000 2.629 43 G HA2 -0.349 3.617 3.960 0.010 0.000 0.313 43 G HA3 -0.349 3.617 3.960 0.010 0.000 0.313 43 G C 1.191 176.058 174.900 -0.054 0.000 1.217 43 G CA 1.750 46.819 45.100 -0.052 0.000 0.994 43 G HN 2.386 nan 8.290 nan 0.000 0.549 44 S N 0.406 116.088 115.700 -0.030 0.000 2.603 44 S HA 0.084 4.560 4.470 0.010 0.000 0.229 44 S C 1.877 176.466 174.600 -0.018 0.000 0.972 44 S CA 1.488 59.679 58.200 -0.014 0.000 0.935 44 S CB 0.016 63.216 63.200 0.000 0.000 0.769 44 S HN 0.698 nan 8.310 nan 0.000 0.536 45 R N 0.758 121.232 120.500 -0.042 0.000 2.300 45 R HA 0.253 4.599 4.340 0.010 0.000 0.199 45 R C 0.930 177.177 176.300 -0.088 0.000 0.920 45 R CA -0.255 55.818 56.100 -0.044 0.000 1.046 45 R CB 0.042 30.315 30.300 -0.045 0.000 0.984 45 R HN 0.352 nan 8.270 nan 0.000 0.493 46 R N 1.011 121.404 120.500 -0.178 0.000 2.538 46 R HA -0.138 4.208 4.340 0.010 0.000 0.282 46 R C -0.440 175.601 176.300 -0.432 0.000 1.009 46 R CA 0.629 56.479 56.100 -0.415 0.000 1.063 46 R CB 0.109 30.032 30.300 -0.628 0.000 0.945 46 R HN 0.140 nan 8.270 nan 0.000 0.414 47 F N -0.599 119.355 119.950 0.007 0.000 2.705 47 F HA -0.296 4.237 4.527 0.010 0.000 0.413 47 F C 0.091 175.876 175.800 -0.025 0.000 0.588 47 F CA 0.515 58.496 58.000 -0.031 0.000 1.187 47 F CB -1.462 37.508 39.000 -0.051 0.000 1.737 47 F HN 0.444 nan 8.300 nan 0.000 0.285 48 M N 1.307 120.968 119.600 0.102 0.000 2.288 48 M HA 0.384 4.870 4.480 0.010 0.000 0.334 48 M C -1.839 174.487 176.300 0.044 0.000 1.150 48 M CA -1.721 53.620 55.300 0.069 0.000 1.118 48 M CB 0.223 32.848 32.600 0.043 0.000 1.501 48 M HN -0.328 nan 8.290 nan 0.000 0.462 49 P HA 0.111 nan 4.420 nan 0.000 0.268 49 P C -2.383 174.942 177.300 0.042 0.000 1.208 49 P CA -0.500 62.631 63.100 0.052 0.000 0.777 49 P CB -0.470 31.271 31.700 0.068 0.000 0.875 50 P HA 0.142 nan 4.420 nan 0.000 0.275 50 P C -0.661 176.668 177.300 0.047 0.000 1.227 50 P CA 0.115 63.233 63.100 0.031 0.000 0.781 50 P CB 0.907 32.640 31.700 0.054 0.000 0.906 51 E N 3.271 123.484 120.200 0.023 0.000 2.179 51 E HA 0.347 4.703 4.350 0.010 0.000 0.275 51 E C -2.275 174.352 176.600 0.046 0.000 0.945 51 E CA -2.312 54.111 56.400 0.039 0.000 0.792 51 E CB 0.569 30.284 29.700 0.025 0.000 1.125 51 E HN 0.339 nan 8.360 nan 0.000 0.397 52 P HA -0.096 nan 4.420 nan 0.000 0.265 52 P C -0.488 176.876 177.300 0.106 0.000 1.187 52 P CA 0.011 63.186 63.100 0.125 0.000 0.766 52 P CB 0.390 32.168 31.700 0.130 0.000 0.820 53 K N 3.974 124.460 120.400 0.144 0.000 2.453 53 K HA -0.012 4.314 4.320 0.010 0.000 0.280 53 K C 0.145 176.850 176.600 0.175 0.000 1.045 53 K CA 0.519 56.900 56.287 0.156 0.000 1.059 53 K CB 0.010 32.661 32.500 0.252 0.000 0.901 53 K HN 0.267 nan 8.250 nan 0.000 0.475 54 R N 5.543 126.129 120.500 0.143 0.000 2.491 54 R HA 0.134 4.480 4.340 0.010 0.000 0.283 54 R C -1.981 174.423 176.300 0.173 0.000 1.072 54 R CA -1.611 54.562 56.100 0.122 0.000 1.048 54 R CB 0.037 30.392 30.300 0.092 0.000 0.983 54 R HN 0.589 nan 8.270 nan 0.000 0.450 55 P HA -0.045 nan 4.420 nan 0.000 0.268 55 P C -0.961 176.376 177.300 0.062 0.000 1.208 55 P CA -0.011 63.036 63.100 -0.088 0.000 0.777 55 P CB 0.310 31.900 31.700 -0.184 0.000 0.875 56 W N 0.763 122.096 121.300 0.056 0.000 2.804 56 W HA 0.723 5.389 4.660 0.010 0.000 0.352 56 W C -0.770 175.774 176.519 0.042 0.000 1.153 56 W CA -0.894 56.481 57.345 0.049 0.000 1.119 56 W CB 0.087 29.584 29.460 0.061 0.000 1.448 56 W HN 0.400 nan 8.180 nan 0.000 0.600 57 S N 0.806 116.679 115.700 0.289 0.000 2.607 57 S HA 0.887 5.363 4.470 0.010 0.000 0.303 57 S C 0.186 174.954 174.600 0.280 0.000 1.086 57 S CA -0.194 58.109 58.200 0.171 0.000 0.995 57 S CB 1.054 64.312 63.200 0.097 0.000 1.084 57 S HN 2.174 nan 8.310 nan 0.000 0.507 58 G N -0.107 108.808 108.800 0.192 0.000 2.741 58 G HA2 -0.084 3.882 3.960 0.010 0.000 0.222 58 G HA3 -0.084 3.882 3.960 0.010 0.000 0.222 58 G C -0.796 174.270 174.900 0.278 0.000 1.364 58 G CA -0.481 44.731 45.100 0.187 0.000 0.866 58 G HN 1.617 nan 8.290 nan 0.000 0.555 59 V N 0.851 120.888 119.914 0.206 0.000 2.406 59 V HA 0.509 4.635 4.120 0.010 0.000 0.272 59 V C 1.074 177.270 176.094 0.170 0.000 1.043 59 V CA -0.278 62.156 62.300 0.222 0.000 0.915 59 V CB 1.199 33.105 31.823 0.138 0.000 0.988 59 V HN 0.810 nan 8.190 nan 0.000 0.466 60 L N 4.537 125.874 121.223 0.191 0.000 2.367 60 L HA 0.314 4.660 4.340 0.010 0.000 0.275 60 L C 0.563 177.429 176.870 -0.006 0.000 1.129 60 L CA 0.025 54.806 54.840 -0.098 0.000 0.839 60 L CB 0.694 42.438 42.059 -0.525 0.000 1.133 60 L HN 0.708 nan 8.230 nan 0.000 0.453 61 D N 4.780 125.148 120.400 -0.053 0.000 2.317 61 D HA 0.194 4.840 4.640 0.010 0.000 0.252 61 D C -0.444 175.826 176.300 -0.050 0.000 1.174 61 D CA -0.022 53.958 54.000 -0.034 0.000 0.866 61 D CB 1.581 42.349 40.800 -0.054 0.000 1.127 61 D HN 0.655 nan 8.370 nan 0.000 0.467 62 A N 3.180 125.994 122.820 -0.010 0.000 3.113 62 A HA 0.207 4.533 4.320 0.010 0.000 0.307 62 A C 0.969 178.480 177.584 -0.123 0.000 1.025 62 A CA -0.432 51.593 52.037 -0.020 0.000 1.012 62 A CB -0.132 18.954 19.000 0.143 0.000 1.085 62 A HN 0.561 nan 8.150 nan 0.000 0.519 63 T N -3.099 111.362 114.554 -0.156 0.000 3.040 63 T HA 0.265 4.621 4.350 0.010 0.000 0.250 63 T C 0.709 175.253 174.700 -0.259 0.000 1.058 63 T CA 0.799 62.774 62.100 -0.207 0.000 0.988 63 T CB -0.200 68.577 68.868 -0.152 0.000 0.993 63 T HN 0.793 nan 8.240 nan 0.000 0.519 64 T N -0.573 113.825 114.554 -0.259 0.000 2.900 64 T HA 0.670 5.026 4.350 0.010 0.000 0.303 64 T C -0.830 173.706 174.700 -0.273 0.000 1.142 64 T CA -0.925 61.010 62.100 -0.275 0.000 1.007 64 T CB 0.983 69.760 68.868 -0.152 0.000 1.156 64 T HN -0.019 nan 8.240 nan 0.000 0.490 65 F N 2.035 121.922 119.950 -0.104 0.000 2.602 65 F HA 0.434 4.967 4.527 0.010 0.000 0.367 65 F C 1.035 176.740 175.800 -0.159 0.000 1.126 65 F CA 0.075 58.014 58.000 -0.102 0.000 1.321 65 F CB 0.510 39.477 39.000 -0.055 0.000 1.094 65 F HN 0.675 nan 8.300 nan 0.000 0.594 66 Q N 2.096 121.908 119.800 0.020 0.000 2.199 66 Q HA 0.328 4.674 4.340 0.010 0.000 0.205 66 Q C -0.377 175.528 176.000 -0.159 0.000 1.001 66 Q CA -0.692 54.959 55.803 -0.254 0.000 1.019 66 Q CB 0.622 28.925 28.738 -0.725 0.000 1.132 66 Q HN 0.502 nan 8.270 nan 0.000 0.530 67 N N -0.499 118.067 118.700 -0.224 0.000 2.329 67 N HA -0.004 4.742 4.740 0.010 0.000 0.237 67 N C -0.843 174.639 175.510 -0.047 0.000 1.258 67 N CA 0.233 53.217 53.050 -0.111 0.000 0.866 67 N CB 0.245 38.681 38.487 -0.085 0.000 1.102 67 N HN 0.298 nan 8.380 nan 0.000 0.440 68 V N 1.425 121.287 119.914 -0.087 0.000 2.539 68 V HA 0.135 4.261 4.120 0.010 0.000 0.292 68 V C 0.584 176.613 176.094 -0.109 0.000 1.045 68 V CA -0.876 61.365 62.300 -0.099 0.000 0.945 68 V CB 1.432 33.162 31.823 -0.155 0.000 0.993 68 V HN 0.717 nan 8.190 nan 0.000 0.464 69 c N 3.687 122.241 118.600 -0.077 0.000 2.653 69 c HA 0.170 4.746 4.570 0.010 0.000 0.421 69 c C 0.476 174.499 174.090 -0.111 0.000 1.334 69 c CA -0.624 55.660 56.329 -0.077 0.000 1.885 69 c CB -1.029 41.470 42.510 -0.018 0.000 2.645 69 c HN 0.756 nan 8.230 nan 0.000 0.601 70 Y N 3.604 123.740 120.300 -0.273 0.000 2.810 70 Y HA 0.190 4.746 4.550 0.010 0.000 0.332 70 Y C 0.903 176.802 175.900 -0.002 0.000 1.243 70 Y CA 1.109 59.049 58.100 -0.266 0.000 1.537 70 Y CB 0.215 38.278 38.460 -0.661 0.000 1.265 70 Y HN 0.759 nan 8.280 nan 0.000 0.572 71 Q N 3.143 123.072 119.800 0.216 0.000 2.687 71 Q HA 0.247 4.593 4.340 0.010 0.000 0.295 71 Q C -2.072 174.138 176.000 0.351 0.000 0.920 71 Q CA -1.162 54.841 55.803 0.334 0.000 0.766 71 Q CB 1.284 30.131 28.738 0.182 0.000 1.467 71 Q HN 0.672 nan 8.270 nan 0.000 0.415 72 Y N 1.006 121.561 120.300 0.426 0.000 2.393 72 Y HA 0.364 4.920 4.550 0.010 0.000 0.338 72 Y C -0.427 175.659 175.900 0.309 0.000 1.029 72 Y CA -0.459 57.893 58.100 0.419 0.000 1.239 72 Y CB 1.169 39.999 38.460 0.618 0.000 1.170 72 Y HN 0.433 nan 8.280 nan 0.000 0.515 73 V N 6.073 126.227 119.914 0.400 0.000 2.432 73 V HA -0.008 4.118 4.120 0.010 0.000 0.271 73 V C -0.045 176.287 176.094 0.397 0.000 1.046 73 V CA -0.606 61.868 62.300 0.290 0.000 0.945 73 V CB 0.983 32.881 31.823 0.126 0.000 0.992 73 V HN 0.670 nan 8.190 nan 0.000 0.471 74 D N 4.018 124.610 120.400 0.320 0.000 2.417 74 D HA 0.123 4.769 4.640 0.010 0.000 0.250 74 D C 0.853 177.290 176.300 0.229 0.000 1.166 74 D CA 0.268 54.445 54.000 0.296 0.000 0.881 74 D CB 1.169 42.159 40.800 0.316 0.000 1.164 74 D HN 0.743 nan 8.370 nan 0.000 0.467 75 T N 1.478 116.145 114.554 0.189 0.000 3.442 75 T HA 0.079 4.435 4.350 0.010 0.000 0.295 75 T C 1.413 176.130 174.700 0.029 0.000 1.007 75 T CA -0.531 61.641 62.100 0.120 0.000 0.962 75 T CB -0.146 68.791 68.868 0.115 0.000 1.187 75 T HN 0.211 nan 8.240 nan 0.000 0.490 76 L N 0.787 122.002 121.223 -0.013 0.000 1.989 76 L HA 0.211 4.557 4.340 0.010 0.000 0.211 76 L C -0.267 176.327 176.870 -0.459 0.000 1.071 76 L CA 1.677 56.336 54.840 -0.302 0.000 0.749 76 L CB -0.310 41.482 42.059 -0.445 0.000 0.890 76 L HN 0.490 nan 8.230 nan 0.000 0.431 77 Y N -0.448 119.884 120.300 0.054 0.000 2.681 77 Y HA 0.416 4.972 4.550 0.010 0.000 0.347 77 Y C -2.235 173.722 175.900 0.095 0.000 1.029 77 Y CA -3.255 54.861 58.100 0.026 0.000 1.279 77 Y CB 0.151 38.571 38.460 -0.066 0.000 1.096 77 Y HN 0.060 nan 8.280 nan 0.000 0.580 78 P HA 0.174 nan 4.420 nan 0.000 0.267 78 P C 1.000 178.372 177.300 0.121 0.000 1.205 78 P CA 1.235 64.409 63.100 0.124 0.000 0.765 78 P CB 0.971 32.716 31.700 0.075 0.000 0.828 79 G N 2.543 111.399 108.800 0.092 0.000 2.225 79 G HA2 -0.287 3.679 3.960 0.010 0.000 0.254 79 G HA3 -0.287 3.679 3.960 0.010 0.000 0.254 79 G C -0.016 174.924 174.900 0.067 0.000 0.988 79 G CA -0.367 44.766 45.100 0.055 0.000 0.625 79 G HN 0.541 nan 8.290 nan 0.000 0.527 80 F N 2.617 122.532 119.950 -0.059 0.000 2.444 80 F HA 0.608 5.141 4.527 0.009 0.000 0.360 80 F C 1.336 177.035 175.800 -0.168 0.000 1.106 80 F CA -0.305 57.607 58.000 -0.146 0.000 1.170 80 F CB 0.732 39.623 39.000 -0.181 0.000 1.113 80 F HN 0.214 nan 8.300 nan 0.000 0.521 81 E N 3.524 123.277 120.200 -0.744 0.000 2.097 81 E HA -0.193 4.163 4.350 0.010 0.000 0.196 81 E C 2.263 178.353 176.600 -0.850 0.000 1.000 81 E CA 1.682 57.672 56.400 -0.683 0.000 0.804 81 E CB -0.258 29.112 29.700 -0.550 0.000 0.740 81 E HN 1.009 nan 8.360 nan 0.000 0.454 82 G N -0.048 107.721 108.800 -1.719 0.000 2.450 82 G HA2 -0.323 3.643 3.960 0.010 0.000 0.220 82 G HA3 -0.323 3.643 3.960 0.010 0.000 0.220 82 G C 1.696 176.598 174.900 0.003 0.000 1.130 82 G CA 1.679 46.111 45.100 -1.113 0.000 0.760 82 G HN 0.436 nan 8.290 nan 0.000 0.557 83 T N -2.072 112.469 114.554 -0.023 0.000 3.021 83 T HA 0.137 4.493 4.350 0.010 0.000 0.245 83 T C 1.931 176.760 174.700 0.216 0.000 1.028 83 T CA 0.785 63.147 62.100 0.437 0.000 1.139 83 T CB 0.034 69.232 68.868 0.550 0.000 0.884 83 T HN 0.099 nan 8.240 nan 0.000 0.457 84 E N 2.335 122.531 120.200 -0.007 0.000 2.153 84 E HA -0.095 4.261 4.350 0.010 0.000 0.194 84 E C 2.222 178.727 176.600 -0.158 0.000 0.988 84 E CA 1.313 57.679 56.400 -0.056 0.000 0.811 84 E CB -0.506 29.134 29.700 -0.100 0.000 0.746 84 E HN 0.798 nan 8.360 nan 0.000 0.466 85 M N -2.510 116.895 119.600 -0.325 0.000 2.549 85 M HA -0.044 4.442 4.480 0.010 0.000 0.260 85 M C 1.157 177.089 176.300 -0.614 0.000 1.076 85 M CA 1.268 56.245 55.300 -0.538 0.000 1.090 85 M CB -0.455 31.696 32.600 -0.749 0.000 1.418 85 M HN -0.003 nan 8.290 nan 0.000 0.486 86 W N 0.795 122.011 121.300 -0.139 0.000 3.177 86 W HA 0.293 4.959 4.660 0.009 0.000 0.309 86 W C 0.408 176.833 176.519 -0.156 0.000 1.224 86 W CA -0.938 56.307 57.345 -0.166 0.000 1.718 86 W CB 0.001 29.398 29.460 -0.104 0.000 1.078 86 W HN 0.107 nan 8.180 nan 0.000 0.618 87 N N 1.422 120.152 118.700 0.049 0.000 2.503 87 N HA 0.151 4.897 4.740 0.010 0.000 0.267 87 N C -2.440 173.023 175.510 -0.077 0.000 1.214 87 N CA -1.542 51.515 53.050 0.012 0.000 0.959 87 N CB 0.097 38.599 38.487 0.026 0.000 1.142 87 N HN -0.334 nan 8.380 nan 0.000 0.455 88 P HA 0.067 nan 4.420 nan 0.000 0.265 88 P C 0.238 177.456 177.300 -0.137 0.000 1.193 88 P CA -0.006 63.011 63.100 -0.138 0.000 0.765 88 P CB 0.358 31.975 31.700 -0.138 0.000 0.823 89 N N 2.249 120.850 118.700 -0.165 0.000 2.205 89 N HA 0.048 4.794 4.740 0.010 0.000 0.201 89 N C 0.037 175.477 175.510 -0.116 0.000 1.128 89 N CA 0.080 53.043 53.050 -0.145 0.000 0.867 89 N CB 0.354 38.736 38.487 -0.175 0.000 0.996 89 N HN 0.156 nan 8.380 nan 0.000 0.503 90 R N 0.441 120.868 120.500 -0.121 0.000 2.912 90 R HA 0.383 4.729 4.340 0.010 0.000 0.262 90 R C -0.303 175.927 176.300 -0.117 0.000 1.057 90 R CA -0.726 55.316 56.100 -0.097 0.000 0.981 90 R CB 0.675 30.926 30.300 -0.083 0.000 1.201 90 R HN 0.154 nan 8.270 nan 0.000 0.484 91 E N 0.934 121.068 120.200 -0.110 0.000 2.437 91 E HA 0.067 4.423 4.350 0.010 0.000 0.263 91 E C -0.200 176.295 176.600 -0.175 0.000 1.030 91 E CA 0.093 56.415 56.400 -0.131 0.000 0.934 91 E CB 0.491 30.129 29.700 -0.103 0.000 0.943 91 E HN 0.194 nan 8.360 nan 0.000 0.444 92 L N 2.186 123.254 121.223 -0.258 0.000 2.331 92 L HA 0.293 4.639 4.340 0.010 0.000 0.278 92 L C 0.289 176.982 176.870 -0.296 0.000 1.106 92 L CA -0.052 54.540 54.840 -0.412 0.000 0.824 92 L CB 0.927 42.476 42.059 -0.849 0.000 1.142 92 L HN 0.390 nan 8.230 nan 0.000 0.443 93 S N 1.136 116.729 115.700 -0.179 0.000 2.570 93 S HA 0.246 4.722 4.470 0.010 0.000 0.270 93 S C 0.269 174.850 174.600 -0.031 0.000 1.149 93 S CA -0.644 57.541 58.200 -0.026 0.000 0.837 93 S CB 1.814 64.999 63.200 -0.027 0.000 1.124 93 S HN 0.737 nan 8.310 nan 0.000 0.465 94 E N 0.698 120.872 120.200 -0.044 0.000 2.285 94 E HA -0.030 4.326 4.350 0.010 0.000 0.194 94 E C -0.382 176.164 176.600 -0.091 0.000 0.997 94 E CA 0.323 56.630 56.400 -0.155 0.000 0.845 94 E CB 0.136 29.710 29.700 -0.209 0.000 0.782 94 E HN 0.523 nan 8.360 nan 0.000 0.491 95 D N 0.540 120.921 120.400 -0.030 0.000 2.435 95 D HA -0.011 4.635 4.640 0.010 0.000 0.230 95 D C 0.068 176.457 176.300 0.148 0.000 1.215 95 D CA -0.177 53.838 54.000 0.025 0.000 0.947 95 D CB 0.095 40.928 40.800 0.056 0.000 1.048 95 D HN 0.146 nan 8.370 nan 0.000 0.512 96 c N 2.625 121.280 118.600 0.093 0.000 3.935 96 c HA 0.351 4.927 4.570 0.010 0.000 0.301 96 c C 0.558 174.736 174.090 0.145 0.000 1.874 96 c CA -0.649 55.801 56.329 0.202 0.000 1.723 96 c CB -1.205 41.341 42.510 0.060 0.000 3.192 96 c HN 0.440 nan 8.230 nan 0.000 0.577 97 L N 2.491 123.531 121.223 -0.304 0.000 2.387 97 L HA 0.428 4.774 4.340 0.010 0.000 0.267 97 L C -1.001 175.307 176.870 -0.938 0.000 1.197 97 L CA 0.396 54.862 54.840 -0.622 0.000 1.070 97 L CB -0.620 40.899 42.059 -0.900 0.000 1.349 97 L HN 0.373 nan 8.230 nan 0.000 0.422 98 Y N 1.905 122.234 120.300 0.048 0.000 2.512 98 Y HA 0.616 5.172 4.550 0.010 0.000 0.348 98 Y C -0.029 176.087 175.900 0.361 0.000 0.990 98 Y CA -1.204 56.994 58.100 0.164 0.000 1.033 98 Y CB 2.035 40.525 38.460 0.049 0.000 1.259 98 Y HN 0.218 nan 8.280 nan 0.000 0.461 99 L N -0.034 121.383 121.223 0.323 0.000 2.256 99 L HA 0.781 5.127 4.340 0.010 0.000 0.261 99 L C -1.111 175.762 176.870 0.005 0.000 1.022 99 L CA -1.113 53.769 54.840 0.070 0.000 0.828 99 L CB 1.508 43.389 42.059 -0.296 0.000 1.374 99 L HN 0.464 nan 8.230 nan 0.000 0.436 100 N N -0.182 118.516 118.700 -0.003 0.000 2.238 100 N HA 0.683 5.429 4.740 0.010 0.000 0.302 100 N C -1.546 173.859 175.510 -0.175 0.000 1.072 100 N CA -0.423 52.546 53.050 -0.135 0.000 0.792 100 N CB 2.866 41.269 38.487 -0.139 0.000 1.425 100 N HN 0.472 nan 8.380 nan 0.000 0.478 101 V N 1.412 121.153 119.914 -0.287 0.000 2.588 101 V HA 0.477 4.603 4.120 0.010 0.000 0.304 101 V C -0.788 175.233 176.094 -0.122 0.000 1.042 101 V CA -0.751 61.465 62.300 -0.140 0.000 0.877 101 V CB 2.257 33.866 31.823 -0.356 0.000 0.996 101 V HN 0.555 nan 8.190 nan 0.000 0.425 102 W N 2.947 124.337 121.300 0.151 0.000 2.587 102 W HA 0.667 5.333 4.660 0.011 0.000 0.324 102 W C 0.124 176.745 176.519 0.171 0.000 1.040 102 W CA -0.434 57.007 57.345 0.160 0.000 1.222 102 W CB 2.418 31.952 29.460 0.123 0.000 1.381 102 W HN 0.659 nan 8.180 nan 0.000 0.483 103 T N 0.435 115.240 114.554 0.417 0.000 2.896 103 T HA 0.549 4.905 4.350 0.010 0.000 0.297 103 T C -2.787 172.087 174.700 0.289 0.000 1.108 103 T CA -2.442 59.857 62.100 0.331 0.000 1.004 103 T CB 2.433 71.515 68.868 0.356 0.000 1.159 103 T HN -0.094 nan 8.240 nan 0.000 0.499 104 P HA 0.198 nan 4.420 nan 0.000 0.270 104 P C -1.544 175.904 177.300 0.246 0.000 1.227 104 P CA -0.147 63.071 63.100 0.198 0.000 0.788 104 P CB 0.107 31.891 31.700 0.141 0.000 0.926 105 Y N 1.668 122.022 120.300 0.090 0.000 2.361 105 Y HA 0.425 4.981 4.550 0.010 0.000 0.337 105 Y C -2.177 173.758 175.900 0.058 0.000 0.965 105 Y CA -2.466 55.681 58.100 0.078 0.000 1.091 105 Y CB 1.234 39.728 38.460 0.057 0.000 1.182 105 Y HN 0.332 nan 8.280 nan 0.000 0.450 106 P HA 0.170 nan 4.420 nan 0.000 0.271 106 P C -0.945 176.300 177.300 -0.093 0.000 1.233 106 P CA -0.272 62.600 63.100 -0.380 0.000 0.789 106 P CB 0.959 32.495 31.700 -0.273 0.000 0.951 107 R N 1.288 121.750 120.500 -0.063 0.000 2.585 107 R HA 0.140 4.486 4.340 0.010 0.000 0.275 107 R C -1.605 174.718 176.300 0.038 0.000 1.018 107 R CA -1.027 55.107 56.100 0.056 0.000 1.072 107 R CB -0.749 29.604 30.300 0.087 0.000 0.953 107 R HN 0.481 nan 8.270 nan 0.000 0.419 108 P HA -0.079 nan 4.420 nan 0.000 0.265 108 P C -0.281 177.037 177.300 0.029 0.000 1.187 108 P CA 0.259 63.388 63.100 0.050 0.000 0.766 108 P CB 0.769 32.509 31.700 0.066 0.000 0.820 109 A N 2.606 125.437 122.820 0.018 0.000 2.021 109 A HA 0.084 4.410 4.320 0.010 0.000 0.216 109 A C 1.056 178.643 177.584 0.006 0.000 1.163 109 A CA 0.967 53.008 52.037 0.006 0.000 0.676 109 A CB -0.449 18.552 19.000 0.002 0.000 0.818 109 A HN 0.682 nan 8.150 nan 0.000 0.453 110 S N -0.554 115.153 115.700 0.011 0.000 2.566 110 S HA 0.635 5.111 4.470 0.010 0.000 0.298 110 S C -3.244 171.364 174.600 0.014 0.000 1.083 110 S CA -1.837 56.367 58.200 0.008 0.000 0.978 110 S CB 1.267 64.469 63.200 0.004 0.000 1.073 110 S HN -0.008 nan 8.310 nan 0.000 0.491 111 P HA 0.210 nan 4.420 nan 0.000 0.261 111 P C -0.618 176.691 177.300 0.015 0.000 1.203 111 P CA 0.193 63.301 63.100 0.014 0.000 0.767 111 P CB -0.016 31.685 31.700 0.002 0.000 0.785 112 T N 5.690 120.264 114.554 0.033 0.000 2.837 112 T HA 0.375 4.731 4.350 0.010 0.000 0.285 112 T C -2.364 172.355 174.700 0.032 0.000 0.984 112 T CA -1.890 60.231 62.100 0.034 0.000 1.049 112 T CB 0.602 69.504 68.868 0.057 0.000 0.947 112 T HN 0.143 nan 8.240 nan 0.000 0.472 113 P HA 0.152 nan 4.420 nan 0.000 0.265 113 P C -0.878 176.447 177.300 0.041 0.000 1.193 113 P CA -0.179 62.926 63.100 0.008 0.000 0.765 113 P CB 0.371 32.058 31.700 -0.021 0.000 0.823 114 V N 5.330 125.283 119.914 0.064 0.000 2.435 114 V HA 0.332 4.458 4.120 0.010 0.000 0.290 114 V C 0.312 176.474 176.094 0.113 0.000 1.030 114 V CA -0.492 61.872 62.300 0.106 0.000 0.881 114 V CB 1.253 33.155 31.823 0.132 0.000 0.983 114 V HN 0.351 nan 8.190 nan 0.000 0.445 115 L N 5.706 127.007 121.223 0.131 0.000 2.322 115 L HA 0.604 4.950 4.340 0.010 0.000 0.281 115 L C -0.606 176.478 176.870 0.357 0.000 1.014 115 L CA -0.243 54.691 54.840 0.157 0.000 0.815 115 L CB 1.718 43.746 42.059 -0.052 0.000 1.247 115 L HN 0.496 nan 8.230 nan 0.000 0.421 116 I N 2.939 123.766 120.570 0.428 0.000 2.355 116 I HA 0.224 4.400 4.170 0.010 0.000 0.288 116 I C -0.708 175.708 176.117 0.499 0.000 0.999 116 I CA -0.391 61.150 61.300 0.402 0.000 1.163 116 I CB 1.309 39.424 38.000 0.190 0.000 1.316 116 I HN 0.621 nan 8.210 nan 0.000 0.454 117 W N 8.449 129.864 121.300 0.192 0.000 2.365 117 W HA 0.582 5.247 4.660 0.009 0.000 0.316 117 W C -1.518 174.909 176.519 -0.153 0.000 1.164 117 W CA -0.668 56.556 57.345 -0.201 0.000 1.204 117 W CB 1.218 30.571 29.460 -0.178 0.000 1.213 117 W HN 0.336 nan 8.180 nan 0.000 0.539 118 I N 8.998 128.950 120.570 -1.030 0.000 2.420 118 I HA 0.064 4.240 4.170 0.010 0.000 0.282 118 I C -0.266 175.075 176.117 -1.293 0.000 1.019 118 I CA -1.097 59.665 61.300 -0.897 0.000 1.130 118 I CB 0.559 38.208 38.000 -0.584 0.000 1.262 118 I HN 0.315 nan 8.210 nan 0.000 0.454 119 Y N 4.478 124.293 120.300 -0.809 0.000 2.511 119 Y HA 0.610 5.165 4.550 0.010 0.000 0.347 119 Y C 0.814 176.530 175.900 -0.306 0.000 1.257 119 Y CA -0.631 57.109 58.100 -0.600 0.000 1.469 119 Y CB -0.085 38.288 38.460 -0.145 0.000 1.353 119 Y HN 0.519 nan 8.280 nan 0.000 0.617 120 G N -0.929 107.885 108.800 0.023 0.000 2.606 120 G HA2 0.496 4.462 3.960 0.010 0.000 0.262 120 G HA3 0.496 4.462 3.960 0.010 0.000 0.262 120 G C 0.224 175.093 174.900 -0.051 0.000 1.394 120 G CA -0.945 44.112 45.100 -0.072 0.000 1.044 120 G HN 1.748 nan 8.290 nan 0.000 0.553 121 G N -2.666 105.957 108.800 -0.296 0.000 2.330 121 G HA2 0.403 4.369 3.960 0.010 0.000 0.125 121 G HA3 0.403 4.369 3.960 0.010 0.000 0.125 121 G C 1.061 175.584 174.900 -0.628 0.000 1.060 121 G CA 0.664 45.492 45.100 -0.454 0.000 0.743 121 G HN 2.342 nan 8.290 nan 0.000 0.480 122 G N -0.556 107.787 108.800 -0.762 0.000 2.187 122 G HA2 -0.140 3.826 3.960 0.010 0.000 0.261 122 G HA3 -0.140 3.826 3.960 0.010 0.000 0.261 122 G C 0.954 175.595 174.900 -0.432 0.000 1.000 122 G CA 0.910 45.225 45.100 -1.308 0.000 0.718 122 G HN 1.863 nan 8.290 nan 0.000 0.519 123 F N -3.330 116.549 119.950 -0.119 0.000 2.935 123 F HA -0.317 4.216 4.527 0.010 0.000 0.317 123 F C 1.436 177.404 175.800 0.280 0.000 0.699 123 F CA 2.193 60.245 58.000 0.087 0.000 1.127 123 F CB -2.065 36.816 39.000 -0.199 0.000 1.491 123 F HN 0.913 nan 8.300 nan 0.000 0.337 124 Y N -1.032 119.402 120.300 0.222 0.000 2.453 124 Y HA 0.636 5.191 4.550 0.010 0.000 0.247 124 Y C 0.611 176.663 175.900 0.253 0.000 1.124 124 Y CA 0.378 58.655 58.100 0.296 0.000 1.243 124 Y CB 0.124 38.777 38.460 0.321 0.000 1.213 124 Y HN 0.088 nan 8.280 nan 0.000 0.523 125 S N -0.636 114.822 115.700 -0.405 0.000 2.688 125 S HA 0.891 5.366 4.470 0.010 0.000 0.275 125 S C -0.192 174.224 174.600 -0.306 0.000 1.175 125 S CA -0.473 57.491 58.200 -0.393 0.000 0.818 125 S CB 1.479 64.269 63.200 -0.683 0.000 1.157 125 S HN 1.357 nan 8.310 nan 0.000 0.482 126 G N -0.689 107.877 108.800 -0.390 0.000 2.459 126 G HA2 0.546 4.512 3.960 0.010 0.000 0.685 126 G HA3 0.546 4.512 3.960 0.010 0.000 0.685 126 G C -0.693 173.491 174.900 -1.194 0.000 1.303 126 G CA -0.218 44.452 45.100 -0.718 0.000 0.907 126 G HN 2.209 nan 8.290 nan 0.000 0.632 127 A N -1.020 121.013 122.820 -1.312 0.000 2.577 127 A HA 0.988 5.314 4.320 0.010 0.000 0.297 127 A C 0.507 177.941 177.584 -0.251 0.000 1.060 127 A CA 0.578 52.178 52.037 -0.728 0.000 0.697 127 A CB 1.011 19.795 19.000 -0.360 0.000 1.281 127 A HN 2.585 nan 8.150 nan 0.000 0.402 128 A N 0.579 123.482 122.820 0.139 0.000 2.238 128 A HA 0.299 4.625 4.320 0.010 0.000 0.208 128 A C 1.576 179.241 177.584 0.135 0.000 1.177 128 A CA 1.586 53.868 52.037 0.408 0.000 0.804 128 A CB -0.518 18.774 19.000 0.487 0.000 0.823 128 A HN 1.755 nan 8.150 nan 0.000 0.482 129 S N -0.648 114.889 115.700 -0.273 0.000 2.556 129 S HA 0.341 4.817 4.470 0.010 0.000 0.216 129 S C 0.487 174.631 174.600 -0.761 0.000 0.970 129 S CA -0.459 57.099 58.200 -1.071 0.000 0.912 129 S CB -0.498 61.990 63.200 -1.186 0.000 0.790 129 S HN 0.373 nan 8.310 nan 0.000 0.504 130 L N 2.191 123.157 121.223 -0.427 0.000 2.467 130 L HA 0.169 4.515 4.340 0.010 0.000 0.270 130 L C 1.220 177.781 176.870 -0.516 0.000 1.205 130 L CA -0.444 54.096 54.840 -0.500 0.000 0.828 130 L CB 0.200 41.866 42.059 -0.655 0.000 1.101 130 L HN 0.059 nan 8.230 nan 0.000 0.479 131 D N 0.884 121.013 120.400 -0.452 0.000 2.149 131 D HA -0.141 4.505 4.640 0.010 0.000 0.198 131 D C 1.923 177.959 176.300 -0.439 0.000 0.990 131 D CA 1.286 55.083 54.000 -0.338 0.000 0.839 131 D CB 0.002 40.634 40.800 -0.280 0.000 0.948 131 D HN 0.506 nan 8.370 nan 0.000 0.460 132 V N -1.470 118.021 119.914 -0.705 0.000 3.305 132 V HA -0.113 4.013 4.120 0.010 0.000 0.269 132 V C 0.918 176.414 176.094 -0.997 0.000 1.157 132 V CA 0.897 62.736 62.300 -0.768 0.000 1.157 132 V CB -1.117 30.212 31.823 -0.822 0.000 0.772 132 V HN 0.069 nan 8.190 nan 0.000 0.498 133 Y N 0.004 119.751 120.300 -0.922 0.000 2.607 133 Y HA 0.461 5.017 4.550 0.010 0.000 0.266 133 Y C 0.779 176.182 175.900 -0.829 0.000 1.178 133 Y CA -2.106 55.100 58.100 -1.490 0.000 1.226 133 Y CB -0.728 37.207 38.460 -0.874 0.000 1.144 133 Y HN 0.216 nan 8.280 nan 0.000 0.528 134 D N 1.000 121.174 120.400 -0.377 0.000 2.412 134 D HA 0.037 4.683 4.640 0.010 0.000 0.257 134 D C 1.410 177.434 176.300 -0.461 0.000 1.217 134 D CA 0.535 54.368 54.000 -0.277 0.000 0.897 134 D CB 1.297 42.069 40.800 -0.046 0.000 1.132 134 D HN 0.471 nan 8.370 nan 0.000 0.493 135 G N 3.940 111.836 108.800 -1.507 0.000 2.920 135 G HA2 -0.168 3.798 3.960 0.010 0.000 0.208 135 G HA3 -0.168 3.798 3.960 0.010 0.000 0.208 135 G C 1.472 175.814 174.900 -0.930 0.000 1.159 135 G CA 0.286 44.658 45.100 -1.213 0.000 0.784 135 G HN 0.635 nan 8.290 nan 0.000 0.535 136 R N -0.637 119.283 120.500 -0.967 0.000 2.120 136 R HA -0.010 4.336 4.340 0.010 0.000 0.234 136 R C 1.639 177.659 176.300 -0.467 0.000 1.123 136 R CA 1.307 57.056 56.100 -0.585 0.000 0.975 136 R CB -0.623 29.343 30.300 -0.557 0.000 0.866 136 R HN 0.344 nan 8.270 nan 0.000 0.446 137 F N 1.224 121.088 119.950 -0.143 0.000 2.187 137 F HA 0.111 4.644 4.527 0.010 0.000 0.295 137 F C 2.239 177.984 175.800 -0.092 0.000 1.091 137 F CA 0.540 58.482 58.000 -0.098 0.000 1.308 137 F CB -0.443 38.493 39.000 -0.108 0.000 1.030 137 F HN -0.144 nan 8.300 nan 0.000 0.487 138 L N 0.048 121.304 121.223 0.054 0.000 2.046 138 L HA -0.200 4.146 4.340 0.010 0.000 0.208 138 L C 2.765 179.640 176.870 0.007 0.000 1.077 138 L CA 1.164 55.993 54.840 -0.019 0.000 0.747 138 L CB -0.941 41.052 42.059 -0.109 0.000 0.896 138 L HN 0.189 nan 8.230 nan 0.000 0.432 139 A N -0.931 121.896 122.820 0.013 0.000 1.883 139 A HA -0.258 4.068 4.320 0.010 0.000 0.217 139 A C 2.293 179.919 177.584 0.070 0.000 1.186 139 A CA 1.736 53.819 52.037 0.078 0.000 0.624 139 A CB -0.491 18.601 19.000 0.154 0.000 0.822 139 A HN 0.407 nan 8.150 nan 0.000 0.444 140 Q N -0.388 119.436 119.800 0.039 0.000 2.096 140 Q HA -0.031 4.315 4.340 0.010 0.000 0.197 140 Q C 2.119 178.149 176.000 0.049 0.000 0.964 140 Q CA 1.787 57.617 55.803 0.045 0.000 0.838 140 Q CB -0.092 28.654 28.738 0.014 0.000 0.906 140 Q HN 0.421 nan 8.270 nan 0.000 0.444 141 V N 1.069 121.013 119.914 0.049 0.000 2.599 141 V HA -0.065 4.061 4.120 0.010 0.000 0.245 141 V C 1.650 177.760 176.094 0.026 0.000 1.046 141 V CA 1.275 63.599 62.300 0.040 0.000 1.065 141 V CB -0.010 31.839 31.823 0.044 0.000 0.703 141 V HN 0.199 nan 8.190 nan 0.000 0.464 142 E N -0.079 120.135 120.200 0.022 0.000 2.476 142 E HA 0.201 4.557 4.350 0.010 0.000 0.199 142 E C 1.686 178.302 176.600 0.026 0.000 1.021 142 E CA 0.736 57.145 56.400 0.014 0.000 0.907 142 E CB 0.579 30.277 29.700 -0.002 0.000 0.974 142 E HN 0.563 nan 8.360 nan 0.000 0.489 143 G N 1.844 110.669 108.800 0.042 0.000 2.198 143 G HA2 -0.297 3.669 3.960 0.010 0.000 0.260 143 G HA3 -0.297 3.669 3.960 0.010 0.000 0.260 143 G C 0.448 175.386 174.900 0.063 0.000 1.025 143 G CA 0.401 45.536 45.100 0.057 0.000 0.769 143 G HN 0.463 nan 8.290 nan 0.000 0.507 144 A N -0.820 122.036 122.820 0.059 0.000 2.340 144 A HA 0.737 5.063 4.320 0.010 0.000 0.268 144 A C 0.502 178.156 177.584 0.115 0.000 1.100 144 A CA -0.035 52.040 52.037 0.064 0.000 0.803 144 A CB 1.272 20.289 19.000 0.029 0.000 1.043 144 A HN 1.120 nan 8.150 nan 0.000 0.488 145 V N 2.925 122.915 119.914 0.126 0.000 2.383 145 V HA 0.357 4.483 4.120 0.010 0.000 0.275 145 V C -0.063 176.149 176.094 0.197 0.000 1.036 145 V CA -0.058 62.346 62.300 0.173 0.000 0.889 145 V CB 0.747 32.663 31.823 0.154 0.000 0.985 145 V HN 0.721 nan 8.190 nan 0.000 0.459 146 L N 6.091 127.486 121.223 0.286 0.000 2.362 146 L HA 0.764 5.110 4.340 0.010 0.000 0.275 146 L C -0.954 176.194 176.870 0.465 0.000 0.998 146 L CA -0.369 54.688 54.840 0.361 0.000 0.820 146 L CB 2.011 44.275 42.059 0.341 0.000 1.270 146 L HN 0.431 nan 8.230 nan 0.000 0.415 147 V N 2.718 122.881 119.914 0.415 0.000 2.735 147 V HA 0.728 4.854 4.120 0.010 0.000 0.310 147 V C -0.565 175.774 176.094 0.408 0.000 1.061 147 V CA -0.461 62.042 62.300 0.338 0.000 0.913 147 V CB 2.099 34.041 31.823 0.199 0.000 1.005 147 V HN 0.845 nan 8.190 nan 0.000 0.428 148 S N 4.659 120.593 115.700 0.389 0.000 2.546 148 S HA 0.872 5.348 4.470 0.010 0.000 0.274 148 S C -0.929 173.820 174.600 0.248 0.000 1.121 148 S CA -0.832 57.603 58.200 0.392 0.000 0.887 148 S CB 2.301 65.879 63.200 0.630 0.000 1.094 148 S HN 0.931 nan 8.310 nan 0.000 0.474 149 M N 1.424 121.132 119.600 0.180 0.000 2.530 149 M HA 0.639 5.125 4.480 0.010 0.000 0.307 149 M C -1.755 174.743 176.300 0.330 0.000 1.161 149 M CA -0.519 54.865 55.300 0.140 0.000 0.903 149 M CB 1.337 33.841 32.600 -0.161 0.000 1.711 149 M HN 0.564 nan 8.290 nan 0.000 0.451 150 N N 2.970 121.930 118.700 0.434 0.000 2.529 150 N HA 0.555 5.301 4.740 0.010 0.000 0.278 150 N C -1.353 174.428 175.510 0.450 0.000 1.146 150 N CA 0.180 53.502 53.050 0.453 0.000 0.980 150 N CB 0.465 39.162 38.487 0.349 0.000 1.124 150 N HN 0.717 nan 8.380 nan 0.000 0.458 151 Y N -1.797 118.675 120.300 0.286 0.000 2.581 151 Y HA 0.569 5.125 4.550 0.010 0.000 0.345 151 Y C -0.149 175.881 175.900 0.217 0.000 1.036 151 Y CA -1.346 56.874 58.100 0.200 0.000 1.042 151 Y CB 0.954 39.469 38.460 0.092 0.000 1.289 151 Y HN 0.196 nan 8.280 nan 0.000 0.471 152 R N 1.834 122.472 120.500 0.229 0.000 2.491 152 R HA 0.517 4.863 4.340 0.010 0.000 0.283 152 R C -0.322 176.116 176.300 0.230 0.000 1.072 152 R CA -0.291 55.892 56.100 0.139 0.000 1.048 152 R CB 1.011 31.358 30.300 0.078 0.000 0.983 152 R HN 0.725 nan 8.270 nan 0.000 0.450 153 V N 0.022 120.111 119.914 0.291 0.000 3.166 153 V HA 0.876 5.002 4.120 0.010 0.000 0.317 153 V C 0.760 177.190 176.094 0.560 0.000 1.136 153 V CA -0.122 62.480 62.300 0.503 0.000 1.035 153 V CB 1.121 33.154 31.823 0.349 0.000 1.110 153 V HN 0.962 nan 8.190 nan 0.000 0.450 154 G N 1.598 110.784 108.800 0.642 0.000 2.578 154 G HA2 -0.295 3.671 3.960 0.010 0.000 0.275 154 G HA3 -0.295 3.671 3.960 0.010 0.000 0.275 154 G C 1.027 176.068 174.900 0.236 0.000 1.271 154 G CA 1.559 46.945 45.100 0.476 0.000 0.941 154 G HN 2.370 nan 8.290 nan 0.000 0.564 155 T N -1.755 112.637 114.554 -0.271 0.000 2.665 155 T HA -0.165 4.191 4.350 0.010 0.000 0.268 155 T C 2.131 176.691 174.700 -0.233 0.000 1.035 155 T CA 2.751 64.442 62.100 -0.680 0.000 1.151 155 T CB -0.496 67.807 68.868 -0.941 0.000 0.862 155 T HN 0.651 nan 8.240 nan 0.000 0.438 156 F N 2.236 122.224 119.950 0.063 0.000 2.161 156 F HA 0.176 4.709 4.527 0.010 0.000 0.300 156 F C 2.852 178.641 175.800 -0.018 0.000 1.089 156 F CA 0.843 58.847 58.000 0.006 0.000 1.282 156 F CB -1.059 37.909 39.000 -0.054 0.000 1.010 156 F HN 0.371 nan 8.300 nan 0.000 0.485 157 G N -1.668 107.196 108.800 0.106 0.000 2.492 157 G HA2 -0.043 3.923 3.960 0.010 0.000 0.214 157 G HA3 -0.043 3.923 3.960 0.010 0.000 0.214 157 G C 0.936 175.349 174.900 -0.811 0.000 1.147 157 G CA 0.424 45.299 45.100 -0.375 0.000 0.809 157 G HN 0.372 nan 8.290 nan 0.000 0.533 158 F N -0.878 119.158 119.950 0.144 0.000 2.915 158 F HA 0.419 4.953 4.527 0.010 0.000 0.347 158 F C 0.414 176.286 175.800 0.120 0.000 1.104 158 F CA -1.016 57.052 58.000 0.113 0.000 1.126 158 F CB 0.263 39.343 39.000 0.135 0.000 1.145 158 F HN -0.084 nan 8.300 nan 0.000 0.541 159 L N 2.264 123.525 121.223 0.063 0.000 2.513 159 L HA 0.527 4.873 4.340 0.010 0.000 0.272 159 L C -0.035 176.798 176.870 -0.061 0.000 1.187 159 L CA 0.044 54.824 54.840 -0.099 0.000 0.895 159 L CB 0.400 42.100 42.059 -0.598 0.000 1.147 159 L HN 0.129 nan 8.230 nan 0.000 0.483 160 A N 6.355 129.190 122.820 0.025 0.000 2.374 160 A HA 0.632 4.958 4.320 0.010 0.000 0.305 160 A C -1.015 176.549 177.584 -0.033 0.000 1.053 160 A CA -0.587 51.444 52.037 -0.009 0.000 0.726 160 A CB 1.204 20.232 19.000 0.047 0.000 1.229 160 A HN 0.718 nan 8.150 nan 0.000 0.431 161 L N 3.754 124.939 121.223 -0.063 0.000 2.360 161 L HA 0.312 4.658 4.340 0.010 0.000 0.265 161 L C -2.373 174.486 176.870 -0.019 0.000 1.066 161 L CA -1.734 53.080 54.840 -0.043 0.000 0.929 161 L CB 1.172 43.193 42.059 -0.064 0.000 1.306 161 L HN 0.413 nan 8.230 nan 0.000 0.434 162 P HA 0.104 nan 4.420 nan 0.000 0.264 162 P C 0.939 178.242 177.300 0.004 0.000 1.193 162 P CA 0.659 63.762 63.100 0.005 0.000 0.763 162 P CB 1.065 32.770 31.700 0.007 0.000 0.810 163 G N 1.855 110.661 108.800 0.011 0.000 2.349 163 G HA2 -0.244 3.722 3.960 0.010 0.000 0.213 163 G HA3 -0.244 3.722 3.960 0.010 0.000 0.213 163 G C 0.492 175.398 174.900 0.010 0.000 1.044 163 G CA 0.190 45.295 45.100 0.010 0.000 0.633 163 G HN 0.805 nan 8.290 nan 0.000 0.506 164 S N 0.411 116.114 115.700 0.005 0.000 2.580 164 S HA 0.487 4.963 4.470 0.010 0.000 0.266 164 S C 1.272 175.881 174.600 0.015 0.000 1.354 164 S CA 0.798 59.001 58.200 0.005 0.000 1.008 164 S CB 1.717 64.914 63.200 -0.006 0.000 0.898 164 S HN 0.712 nan 8.310 nan 0.000 0.555 165 R N 0.202 120.713 120.500 0.019 0.000 2.156 165 R HA 0.085 4.431 4.340 0.010 0.000 0.207 165 R C 1.270 177.592 176.300 0.037 0.000 1.040 165 R CA 0.867 56.983 56.100 0.027 0.000 1.013 165 R CB -0.185 30.130 30.300 0.025 0.000 0.931 165 R HN 0.808 nan 8.270 nan 0.000 0.465 166 E N -0.328 119.893 120.200 0.036 0.000 2.385 166 E HA 0.124 4.480 4.350 0.010 0.000 0.194 166 E C -0.144 176.503 176.600 0.078 0.000 1.013 166 E CA 0.692 57.127 56.400 0.059 0.000 0.866 166 E CB 1.184 30.918 29.700 0.056 0.000 0.832 166 E HN 0.307 nan 8.360 nan 0.000 0.500 167 A N 0.829 123.669 122.820 0.033 0.000 3.474 167 A HA 0.246 4.572 4.320 0.010 0.000 0.251 167 A C -2.118 175.466 177.584 0.001 0.000 1.062 167 A CA -0.814 51.226 52.037 0.004 0.000 0.945 167 A CB 0.321 19.241 19.000 -0.134 0.000 1.296 167 A HN -0.076 nan 8.150 nan 0.000 0.592 168 P HA 0.076 nan 4.420 nan 0.000 0.225 168 P C 0.959 178.280 177.300 0.036 0.000 1.148 168 P CA 1.985 65.105 63.100 0.034 0.000 0.779 168 P CB 0.068 31.798 31.700 0.050 0.000 0.780 169 G N 0.597 109.416 108.800 0.033 0.000 2.730 169 G HA2 -0.184 3.782 3.960 0.010 0.000 0.686 169 G HA3 -0.184 3.782 3.960 0.010 0.000 0.686 169 G C -0.046 174.867 174.900 0.022 0.000 1.343 169 G CA -0.283 44.843 45.100 0.044 0.000 0.826 169 G HN 0.136 nan 8.290 nan 0.000 0.582 170 N N -2.402 116.317 118.700 0.030 0.000 2.778 170 N HA -0.289 4.457 4.740 0.010 0.000 0.249 170 N C 1.953 177.344 175.510 -0.198 0.000 1.069 170 N CA 2.479 55.492 53.050 -0.061 0.000 0.831 170 N CB -1.631 36.753 38.487 -0.173 0.000 1.142 170 N HN 1.953 nan 8.380 nan 0.000 0.573 171 V N -2.360 117.438 119.914 -0.193 0.000 2.594 171 V HA -0.054 4.072 4.120 0.010 0.000 0.253 171 V C 2.307 178.280 176.094 -0.202 0.000 1.069 171 V CA 2.410 64.626 62.300 -0.140 0.000 1.082 171 V CB -0.965 30.822 31.823 -0.060 0.000 0.680 171 V HN 0.288 nan 8.190 nan 0.000 0.469 172 G N 0.335 108.827 108.800 -0.514 0.000 2.432 172 G HA2 -0.149 3.817 3.960 0.010 0.000 0.219 172 G HA3 -0.149 3.817 3.960 0.010 0.000 0.219 172 G C 1.548 176.408 174.900 -0.067 0.000 1.135 172 G CA 1.167 46.080 45.100 -0.312 0.000 0.767 172 G HN 0.550 nan 8.290 nan 0.000 0.550 173 L N -0.151 120.984 121.223 -0.145 0.000 2.109 173 L HA 0.088 4.434 4.340 0.010 0.000 0.207 173 L C 2.825 179.689 176.870 -0.009 0.000 1.086 173 L CA 0.310 55.014 54.840 -0.227 0.000 0.760 173 L CB -0.282 41.283 42.059 -0.824 0.000 0.910 173 L HN 0.182 nan 8.230 nan 0.000 0.437 174 L N -0.481 120.745 121.223 0.005 0.000 2.093 174 L HA -0.210 4.136 4.340 0.010 0.000 0.208 174 L C 2.205 179.191 176.870 0.194 0.000 1.085 174 L CA 0.967 55.913 54.840 0.177 0.000 0.755 174 L CB -0.661 41.481 42.059 0.137 0.000 0.904 174 L HN 0.299 nan 8.230 nan 0.000 0.435 175 D N 0.028 120.530 120.400 0.170 0.000 2.104 175 D HA -0.214 4.432 4.640 0.010 0.000 0.194 175 D C 2.270 178.741 176.300 0.285 0.000 0.994 175 D CA 1.246 55.424 54.000 0.298 0.000 0.830 175 D CB -0.219 40.771 40.800 0.316 0.000 0.959 175 D HN 0.407 nan 8.370 nan 0.000 0.452 176 Q N 0.017 119.909 119.800 0.154 0.000 2.124 176 Q HA -0.101 4.245 4.340 0.010 0.000 0.202 176 Q C 2.280 178.277 176.000 -0.004 0.000 0.977 176 Q CA 0.874 56.691 55.803 0.023 0.000 0.850 176 Q CB -0.032 28.711 28.738 0.008 0.000 0.901 176 Q HN 0.203 nan 8.270 nan 0.000 0.429 177 R N 0.614 121.205 120.500 0.153 0.000 2.092 177 R HA -0.157 4.189 4.340 0.010 0.000 0.231 177 R C 2.168 178.537 176.300 0.115 0.000 1.119 177 R CA 0.885 57.067 56.100 0.137 0.000 0.970 177 R CB -0.171 30.320 30.300 0.318 0.000 0.864 177 R HN 0.217 nan 8.270 nan 0.000 0.440 178 L N 0.783 122.109 121.223 0.172 0.000 2.046 178 L HA -0.047 4.299 4.340 0.010 0.000 0.208 178 L C 2.272 179.227 176.870 0.142 0.000 1.077 178 L CA 2.096 57.070 54.840 0.222 0.000 0.747 178 L CB -0.590 41.681 42.059 0.354 0.000 0.896 178 L HN 0.250 nan 8.230 nan 0.000 0.432 179 A N -0.609 122.120 122.820 -0.151 0.000 1.933 179 A HA -0.140 4.186 4.320 0.010 0.000 0.218 179 A C 2.207 179.746 177.584 -0.075 0.000 1.175 179 A CA 1.760 53.526 52.037 -0.452 0.000 0.628 179 A CB -0.803 17.655 19.000 -0.904 0.000 0.814 179 A HN 0.499 nan 8.150 nan 0.000 0.444 180 L N -1.033 120.163 121.223 -0.046 0.000 2.046 180 L HA -0.265 4.081 4.340 0.010 0.000 0.208 180 L C 2.838 179.773 176.870 0.110 0.000 1.077 180 L CA 1.718 56.573 54.840 0.025 0.000 0.747 180 L CB -0.875 41.163 42.059 -0.035 0.000 0.896 180 L HN 0.501 nan 8.230 nan 0.000 0.432 181 Q N -0.886 118.990 119.800 0.126 0.000 2.050 181 Q HA -0.260 4.086 4.340 0.010 0.000 0.202 181 Q C 2.062 178.172 176.000 0.182 0.000 0.980 181 Q CA 2.072 57.958 55.803 0.139 0.000 0.840 181 Q CB -0.328 28.494 28.738 0.139 0.000 0.898 181 Q HN 0.530 nan 8.270 nan 0.000 0.424 182 W N 0.514 121.841 121.300 0.045 0.000 2.325 182 W HA -0.259 4.407 4.660 0.010 0.000 0.299 182 W C 1.803 178.355 176.519 0.055 0.000 1.215 182 W CA 1.315 58.700 57.345 0.066 0.000 1.244 182 W CB -0.024 29.483 29.460 0.078 0.000 1.140 182 W HN -0.112 nan 8.180 nan 0.000 0.523 183 V N 0.757 120.940 119.914 0.448 0.000 2.295 183 V HA -0.341 3.785 4.120 0.010 0.000 0.246 183 V C 2.557 178.700 176.094 0.081 0.000 1.049 183 V CA 2.054 64.526 62.300 0.286 0.000 1.024 183 V CB -1.000 30.982 31.823 0.265 0.000 0.648 183 V HN 0.205 nan 8.190 nan 0.000 0.447 184 Q N -0.132 119.715 119.800 0.078 0.000 2.061 184 Q HA -0.281 4.065 4.340 0.010 0.000 0.204 184 Q C 2.263 178.247 176.000 -0.027 0.000 0.984 184 Q CA 2.288 58.114 55.803 0.040 0.000 0.846 184 Q CB -0.318 28.448 28.738 0.048 0.000 0.902 184 Q HN 0.831 nan 8.270 nan 0.000 0.421 185 E N 0.034 120.186 120.200 -0.080 0.000 2.107 185 E HA -0.112 4.244 4.350 0.010 0.000 0.191 185 E C 1.341 177.805 176.600 -0.227 0.000 0.982 185 E CA 1.109 57.424 56.400 -0.142 0.000 0.809 185 E CB 0.227 29.833 29.700 -0.156 0.000 0.756 185 E HN 0.278 nan 8.360 nan 0.000 0.459 186 N N -0.319 118.156 118.700 -0.375 0.000 2.332 186 N HA -0.002 4.744 4.740 0.010 0.000 0.190 186 N C 1.571 176.974 175.510 -0.178 0.000 1.117 186 N CA 0.123 52.895 53.050 -0.464 0.000 0.883 186 N CB 0.215 38.032 38.487 -1.116 0.000 1.089 186 N HN 0.142 nan 8.380 nan 0.000 0.480 187 I N 2.518 123.048 120.570 -0.068 0.000 2.335 187 I HA -0.158 4.018 4.170 0.010 0.000 0.251 187 I C 2.183 178.408 176.117 0.181 0.000 1.129 187 I CA 0.630 62.022 61.300 0.154 0.000 1.402 187 I CB -0.266 37.813 38.000 0.132 0.000 1.069 187 I HN 0.058 nan 8.210 nan 0.000 0.424 188 A N 0.389 123.244 122.820 0.059 0.000 1.986 188 A HA -0.204 4.122 4.320 0.010 0.000 0.220 188 A C 2.461 180.041 177.584 -0.007 0.000 1.171 188 A CA 1.747 53.800 52.037 0.027 0.000 0.640 188 A CB -1.216 17.775 19.000 -0.015 0.000 0.811 188 A HN 0.504 nan 8.150 nan 0.000 0.451 189 A N -1.969 120.806 122.820 -0.075 0.000 2.186 189 A HA 0.066 4.392 4.320 0.010 0.000 0.219 189 A C 1.464 178.810 177.584 -0.397 0.000 1.159 189 A CA 1.274 53.149 52.037 -0.271 0.000 0.680 189 A CB -0.631 18.109 19.000 -0.433 0.000 0.787 189 A HN 0.526 nan 8.150 nan 0.000 0.467 190 F N -1.831 118.061 119.950 -0.096 0.000 2.682 190 F HA 0.392 4.925 4.527 0.010 0.000 0.308 190 F C 1.670 177.465 175.800 -0.009 0.000 1.093 190 F CA 0.449 58.401 58.000 -0.079 0.000 1.244 190 F CB 0.499 39.457 39.000 -0.069 0.000 1.052 190 F HN 0.294 nan 8.300 nan 0.000 0.573 191 G N 0.659 109.538 108.800 0.132 0.000 2.132 191 G HA2 -0.163 3.803 3.960 0.010 0.000 0.234 191 G HA3 -0.163 3.803 3.960 0.010 0.000 0.234 191 G C 0.571 175.536 174.900 0.108 0.000 0.989 191 G CA -0.213 44.944 45.100 0.095 0.000 0.676 191 G HN 0.710 nan 8.290 nan 0.000 0.522 192 G N -0.811 108.071 108.800 0.137 0.000 2.504 192 G HA2 0.495 4.461 3.960 0.010 0.000 0.288 192 G HA3 0.495 4.461 3.960 0.010 0.000 0.288 192 G C -0.800 174.143 174.900 0.072 0.000 1.182 192 G CA 0.124 45.290 45.100 0.110 0.000 0.894 192 G HN 0.196 nan 8.290 nan 0.000 0.521 193 D N 0.884 121.317 120.400 0.055 0.000 2.443 193 D HA 0.287 4.933 4.640 0.010 0.000 0.221 193 D C -1.207 175.116 176.300 0.039 0.000 1.097 193 D CA -2.223 51.793 54.000 0.026 0.000 0.865 193 D CB 2.012 42.809 40.800 -0.005 0.000 1.034 193 D HN 0.035 nan 8.370 nan 0.000 0.511 194 P HA -0.083 nan 4.420 nan 0.000 0.223 194 P C 1.269 178.649 177.300 0.133 0.000 1.151 194 P CA 0.610 63.766 63.100 0.092 0.000 0.787 194 P CB 0.216 31.956 31.700 0.067 0.000 0.788 195 M N -0.962 118.652 119.600 0.025 0.000 2.628 195 M HA 0.057 4.543 4.480 0.010 0.000 0.232 195 M C 0.586 176.581 176.300 -0.508 0.000 1.128 195 M CA 0.570 55.798 55.300 -0.119 0.000 1.040 195 M CB -0.110 32.434 32.600 -0.094 0.000 1.608 195 M HN -0.178 nan 8.290 nan 0.000 0.507 196 S N 0.572 116.112 115.700 -0.266 0.000 2.386 196 S HA 0.386 4.862 4.470 0.010 0.000 0.152 196 S C -1.036 173.581 174.600 0.027 0.000 1.511 196 S CA -0.573 57.475 58.200 -0.252 0.000 1.246 196 S CB 0.447 63.541 63.200 -0.177 0.000 1.338 196 S HN -0.021 nan 8.310 nan 0.000 0.409 197 V N 3.631 123.712 119.914 0.279 0.000 2.417 197 V HA 0.572 4.698 4.120 0.010 0.000 0.291 197 V C 0.090 176.368 176.094 0.306 0.000 1.024 197 V CA -0.370 62.104 62.300 0.291 0.000 0.861 197 V CB 1.896 33.914 31.823 0.325 0.000 0.985 197 V HN 0.702 nan 8.190 nan 0.000 0.436 198 T N 6.454 121.131 114.554 0.204 0.000 2.797 198 T HA 0.605 4.961 4.350 0.010 0.000 0.279 198 T C -0.283 174.548 174.700 0.218 0.000 0.991 198 T CA -0.372 61.849 62.100 0.201 0.000 0.979 198 T CB 1.053 69.984 68.868 0.105 0.000 0.943 198 T HN 0.334 nan 8.240 nan 0.000 0.444 199 L N 4.714 126.037 121.223 0.166 0.000 2.312 199 L HA 0.686 5.032 4.340 0.010 0.000 0.281 199 L C -0.504 176.569 176.870 0.339 0.000 1.070 199 L CA -0.829 54.081 54.840 0.116 0.000 0.805 199 L CB 0.460 42.361 42.059 -0.263 0.000 1.174 199 L HN 0.642 nan 8.230 nan 0.000 0.434 200 F N 0.675 120.691 119.950 0.110 0.000 2.601 200 F HA 0.958 5.490 4.527 0.009 0.000 0.309 200 F C -0.363 175.458 175.800 0.035 0.000 1.089 200 F CA -1.451 56.669 58.000 0.200 0.000 0.940 200 F CB 1.649 40.897 39.000 0.413 0.000 1.273 200 F HN 0.468 nan 8.300 nan 0.000 0.450 201 G N 1.321 110.031 108.800 -0.150 0.000 2.547 201 G HA2 0.488 4.454 3.960 0.010 0.000 0.291 201 G HA3 0.488 4.454 3.960 0.010 0.000 0.291 201 G C -2.610 172.114 174.900 -0.293 0.000 1.471 201 G CA -0.783 43.863 45.100 -0.758 0.000 0.798 201 G HN 0.890 nan 8.290 nan 0.000 0.504 202 E N 0.352 120.318 120.200 -0.390 0.000 2.317 202 E HA 0.671 5.027 4.350 0.010 0.000 0.270 202 E C 0.590 177.143 176.600 -0.079 0.000 0.885 202 E CA 0.273 56.655 56.400 -0.031 0.000 0.760 202 E CB 2.234 32.058 29.700 0.206 0.000 1.227 202 E HN 0.934 nan 8.360 nan 0.000 0.434 203 S N 2.296 118.022 115.700 0.043 0.000 4.116 203 S HA -0.377 4.099 4.470 0.010 0.000 0.623 203 S C 1.399 176.117 174.600 0.196 0.000 1.933 203 S CA 1.964 60.263 58.200 0.165 0.000 4.224 203 S CB -1.616 61.586 63.200 0.003 0.000 0.208 203 S HN 0.992 nan 8.310 nan 0.000 0.527 204 A N 1.032 123.826 122.820 -0.043 0.000 2.070 204 A HA 0.197 4.523 4.320 0.010 0.000 0.220 204 A C 2.339 179.705 177.584 -0.362 0.000 1.159 204 A CA 2.284 54.109 52.037 -0.353 0.000 0.656 204 A CB -1.428 16.857 19.000 -1.191 0.000 0.800 204 A HN 1.466 nan 8.150 nan 0.000 0.453 205 G N -0.433 108.192 108.800 -0.293 0.000 2.404 205 G HA2 0.046 4.012 3.960 0.010 0.000 0.215 205 G HA3 0.046 4.012 3.960 0.010 0.000 0.215 205 G C 1.751 176.492 174.900 -0.264 0.000 1.174 205 G CA 1.196 46.061 45.100 -0.391 0.000 0.780 205 G HN 0.730 nan 8.290 nan 0.000 0.537 206 A N 1.244 123.982 122.820 -0.138 0.000 1.902 206 A HA 0.233 4.559 4.320 0.010 0.000 0.217 206 A C 2.800 180.378 177.584 -0.009 0.000 1.181 206 A CA 2.337 54.355 52.037 -0.031 0.000 0.623 206 A CB -0.797 18.245 19.000 0.071 0.000 0.818 206 A HN 0.792 nan 8.150 nan 0.000 0.443 207 A N -0.638 122.202 122.820 0.034 0.000 1.930 207 A HA -0.032 4.294 4.320 0.010 0.000 0.217 207 A C 2.421 180.012 177.584 0.012 0.000 1.175 207 A CA 1.956 54.000 52.037 0.012 0.000 0.627 207 A CB -0.767 18.252 19.000 0.032 0.000 0.815 207 A HN 0.455 nan 8.150 nan 0.000 0.443 208 S N -0.304 115.398 115.700 0.004 0.000 2.356 208 S HA -0.148 4.328 4.470 0.010 0.000 0.223 208 S C 1.910 176.463 174.600 -0.079 0.000 1.032 208 S CA 1.448 59.602 58.200 -0.078 0.000 1.005 208 S CB -0.589 62.516 63.200 -0.159 0.000 0.867 208 S HN 0.345 nan 8.310 nan 0.000 0.449 209 V N 1.871 121.757 119.914 -0.046 0.000 2.282 209 V HA -0.223 3.903 4.120 0.010 0.000 0.249 209 V C 2.641 178.738 176.094 0.006 0.000 1.057 209 V CA 2.060 64.346 62.300 -0.023 0.000 1.032 209 V CB -1.598 30.190 31.823 -0.058 0.000 0.645 209 V HN 0.608 nan 8.190 nan 0.000 0.447 210 G N -0.942 107.855 108.800 -0.006 0.000 2.476 210 G HA2 -0.328 3.638 3.960 0.010 0.000 0.218 210 G HA3 -0.328 3.638 3.960 0.010 0.000 0.218 210 G C 1.626 176.546 174.900 0.034 0.000 1.164 210 G CA 1.352 46.455 45.100 0.006 0.000 0.768 210 G HN 0.453 nan 8.290 nan 0.000 0.560 211 M N -0.175 119.418 119.600 -0.012 0.000 2.159 211 M HA -0.013 4.473 4.480 0.010 0.000 0.263 211 M C 2.335 178.700 176.300 0.109 0.000 1.063 211 M CA 0.985 56.302 55.300 0.029 0.000 1.110 211 M CB -0.263 32.320 32.600 -0.030 0.000 1.374 211 M HN 0.228 nan 8.290 nan 0.000 0.411 212 H N -0.198 118.999 119.070 0.212 0.000 2.421 212 H HA -0.050 4.512 4.556 0.010 0.000 0.298 212 H C 2.106 177.642 175.328 0.348 0.000 1.087 212 H CA 1.470 57.660 56.048 0.235 0.000 1.330 212 H CB -0.429 29.367 29.762 0.057 0.000 1.388 212 H HN 0.432 nan 8.280 nan 0.000 0.526 213 I N 0.620 121.443 120.570 0.422 0.000 2.394 213 I HA -0.205 3.971 4.170 0.010 0.000 0.251 213 I C 1.625 177.932 176.117 0.316 0.000 1.136 213 I CA 0.959 62.528 61.300 0.447 0.000 1.425 213 I CB -0.008 38.179 38.000 0.310 0.000 1.079 213 I HN 0.104 nan 8.210 nan 0.000 0.425 214 L N -0.921 120.438 121.223 0.226 0.000 2.628 214 L HA 0.166 4.512 4.340 0.010 0.000 0.229 214 L C 0.714 177.629 176.870 0.075 0.000 1.137 214 L CA 0.012 54.958 54.840 0.175 0.000 0.909 214 L CB 0.127 42.273 42.059 0.145 0.000 1.137 214 L HN -0.018 nan 8.230 nan 0.000 0.470 215 S N -0.290 115.428 115.700 0.031 0.000 2.552 215 S HA 0.348 4.824 4.470 0.010 0.000 0.314 215 S C 0.750 175.276 174.600 -0.124 0.000 1.099 215 S CA -0.606 57.498 58.200 -0.160 0.000 1.070 215 S CB 1.680 64.553 63.200 -0.545 0.000 0.998 215 S HN 0.196 nan 8.310 nan 0.000 0.474 216 L N 6.109 127.255 121.223 -0.128 0.000 1.990 216 L HA -0.009 4.337 4.340 0.010 0.000 0.213 216 L C -0.864 175.953 176.870 -0.090 0.000 1.072 216 L CA 1.783 56.567 54.840 -0.093 0.000 0.755 216 L CB -0.739 41.269 42.059 -0.085 0.000 0.889 216 L HN 0.535 nan 8.230 nan 0.000 0.432 217 P HA -0.122 nan 4.420 nan 0.000 0.216 217 P C 1.662 178.948 177.300 -0.024 0.000 1.150 217 P CA 1.369 64.429 63.100 -0.068 0.000 0.837 217 P CB 0.059 31.715 31.700 -0.073 0.000 0.786 218 S N -0.792 114.912 115.700 0.006 0.000 2.399 218 S HA -0.105 4.371 4.470 0.010 0.000 0.231 218 S C 1.882 176.561 174.600 0.132 0.000 1.022 218 S CA 0.845 59.142 58.200 0.162 0.000 0.983 218 S CB -0.530 62.897 63.200 0.378 0.000 0.803 218 S HN 0.062 nan 8.310 nan 0.000 0.480 219 R N 1.847 122.333 120.500 -0.023 0.000 2.193 219 R HA 0.006 4.352 4.340 0.010 0.000 0.229 219 R C 2.172 178.248 176.300 -0.375 0.000 1.110 219 R CA 1.218 57.151 56.100 -0.278 0.000 0.988 219 R CB -1.089 29.106 30.300 -0.175 0.000 0.871 219 R HN 0.587 nan 8.270 nan 0.000 0.458 220 S N -0.677 114.901 115.700 -0.203 0.000 2.631 220 S HA 0.133 4.609 4.470 0.010 0.000 0.217 220 S C 1.546 176.042 174.600 -0.172 0.000 0.958 220 S CA -0.056 58.031 58.200 -0.190 0.000 0.920 220 S CB -0.032 63.108 63.200 -0.101 0.000 0.776 220 S HN 0.195 nan 8.310 nan 0.000 0.517 221 L N 0.424 121.569 121.223 -0.130 0.000 2.693 221 L HA 0.497 4.843 4.340 0.010 0.000 0.235 221 L C -0.032 176.885 176.870 0.079 0.000 1.127 221 L CA -0.291 54.556 54.840 0.012 0.000 0.914 221 L CB 0.043 42.170 42.059 0.113 0.000 1.193 221 L HN 0.519 nan 8.230 nan 0.000 0.502 222 F N -4.367 115.424 119.950 -0.265 0.000 2.741 222 F HA 0.448 4.981 4.527 0.009 0.000 0.313 222 F C 0.410 175.911 175.800 -0.498 0.000 1.153 222 F CA -0.999 56.841 58.000 -0.267 0.000 0.931 222 F CB 0.803 39.772 39.000 -0.051 0.000 1.335 222 F HN -0.161 nan 8.300 nan 0.000 0.460 223 H N -0.610 118.541 119.070 0.135 0.000 2.927 223 H HA 0.464 5.026 4.556 0.010 0.000 0.255 223 H C -0.137 175.246 175.328 0.092 0.000 0.974 223 H CA -0.010 56.038 56.048 -0.000 0.000 1.199 223 H CB 1.038 30.793 29.762 -0.013 0.000 1.447 223 H HN 0.427 nan 8.280 nan 0.000 0.467 224 R N 0.047 120.769 120.500 0.369 0.000 2.764 224 R HA 0.697 5.043 4.340 0.010 0.000 0.270 224 R C -1.536 175.016 176.300 0.421 0.000 1.014 224 R CA -0.640 55.632 56.100 0.286 0.000 0.904 224 R CB 2.836 33.099 30.300 -0.060 0.000 1.236 224 R HN 0.143 nan 8.270 nan 0.000 0.466 225 A N 1.042 124.129 122.820 0.446 0.000 2.520 225 A HA 0.684 5.010 4.320 0.010 0.000 0.298 225 A C -1.494 176.251 177.584 0.268 0.000 1.051 225 A CA -0.607 51.621 52.037 0.317 0.000 0.690 225 A CB 1.890 21.032 19.000 0.237 0.000 1.281 225 A HN 0.289 nan 8.150 nan 0.000 0.402 226 V N 2.013 122.050 119.914 0.205 0.000 2.487 226 V HA 0.536 4.662 4.120 0.010 0.000 0.298 226 V C -1.100 175.102 176.094 0.179 0.000 1.028 226 V CA -0.318 62.052 62.300 0.116 0.000 0.860 226 V CB 1.295 33.206 31.823 0.146 0.000 0.991 226 V HN 0.683 nan 8.190 nan 0.000 0.427 227 L N 5.103 126.404 121.223 0.131 0.000 2.353 227 L HA 0.503 4.849 4.340 0.010 0.000 0.270 227 L C -0.028 176.955 176.870 0.190 0.000 1.003 227 L CA 0.036 54.948 54.840 0.121 0.000 0.862 227 L CB 1.493 43.578 42.059 0.042 0.000 1.221 227 L HN 0.629 nan 8.230 nan 0.000 0.430 228 Q N 1.883 121.849 119.800 0.276 0.000 2.360 228 Q HA 0.449 4.795 4.340 0.010 0.000 0.254 228 Q C 0.245 176.390 176.000 0.242 0.000 0.975 228 Q CA -0.461 55.561 55.803 0.366 0.000 0.912 228 Q CB 1.181 30.222 28.738 0.505 0.000 1.212 228 Q HN 0.606 nan 8.270 nan 0.000 0.452 229 S N 0.992 116.819 115.700 0.213 0.000 3.682 229 S HA -0.149 4.327 4.470 0.010 0.000 0.354 229 S C 0.008 174.815 174.600 0.346 0.000 1.034 229 S CA 0.498 58.854 58.200 0.260 0.000 1.084 229 S CB -1.224 62.126 63.200 0.250 0.000 0.903 229 S HN 1.008 nan 8.310 nan 0.000 0.470 230 G N -0.548 108.409 108.800 0.262 0.000 2.519 230 G HA2 0.675 4.641 3.960 0.010 0.000 0.292 230 G HA3 0.675 4.641 3.960 0.010 0.000 0.292 230 G C -0.939 174.033 174.900 0.120 0.000 1.507 230 G CA 0.287 45.589 45.100 0.336 0.000 0.806 230 G HN 1.081 nan 8.290 nan 0.000 0.523 231 T N -1.723 112.831 114.554 -0.000 0.000 2.840 231 T HA 0.732 5.088 4.350 0.010 0.000 0.317 231 T C -2.440 172.115 174.700 -0.241 0.000 1.401 231 T CA -1.063 60.967 62.100 -0.116 0.000 1.028 231 T CB 2.897 71.681 68.868 -0.138 0.000 1.317 231 T HN 0.321 nan 8.240 nan 0.000 0.495 232 P HA 0.003 nan 4.420 nan 0.000 0.220 232 P C 0.296 177.442 177.300 -0.257 0.000 1.152 232 P CA 0.605 63.584 63.100 -0.202 0.000 0.812 232 P CB -0.112 31.526 31.700 -0.103 0.000 0.792 233 N N 0.832 119.401 118.700 -0.219 0.000 2.354 233 N HA 0.276 5.022 4.740 0.010 0.000 0.246 233 N C 0.809 176.121 175.510 -0.330 0.000 1.285 233 N CA 0.759 53.676 53.050 -0.221 0.000 0.925 233 N CB 0.173 38.569 38.487 -0.150 0.000 1.174 233 N HN 0.232 nan 8.380 nan 0.000 0.478 234 G N -0.711 107.910 108.800 -0.297 0.000 2.462 234 G HA2 -0.102 3.864 3.960 0.010 0.000 0.685 234 G HA3 -0.102 3.864 3.960 0.010 0.000 0.685 234 G C -2.410 172.259 174.900 -0.385 0.000 1.295 234 G CA -0.312 44.567 45.100 -0.369 0.000 0.941 234 G HN 0.482 nan 8.290 nan 0.000 0.554 235 P HA 0.139 nan 4.420 nan 0.000 0.227 235 P C 1.491 178.730 177.300 -0.102 0.000 1.161 235 P CA 2.027 64.990 63.100 -0.229 0.000 0.788 235 P CB -0.010 31.503 31.700 -0.313 0.000 0.822 236 W N -2.155 119.055 121.300 -0.151 0.000 2.865 236 W HA 0.584 5.250 4.660 0.009 0.000 0.300 236 W C 1.038 177.635 176.519 0.130 0.000 1.096 236 W CA 0.411 57.751 57.345 -0.008 0.000 1.524 236 W CB -0.730 28.763 29.460 0.055 0.000 0.991 236 W HN -0.183 nan 8.180 nan 0.000 0.571 237 A N 1.957 124.473 122.820 -0.507 0.000 2.119 237 A HA 0.128 4.454 4.320 0.010 0.000 0.216 237 A C 1.208 178.653 177.584 -0.232 0.000 1.152 237 A CA 1.899 53.690 52.037 -0.411 0.000 0.708 237 A CB -0.739 17.771 19.000 -0.817 0.000 0.805 237 A HN 0.271 nan 8.150 nan 0.000 0.460 238 T N -3.728 110.705 114.554 -0.202 0.000 2.812 238 T HA 0.621 4.977 4.350 0.010 0.000 0.294 238 T C -0.760 173.871 174.700 -0.114 0.000 1.159 238 T CA -0.093 61.898 62.100 -0.183 0.000 1.008 238 T CB 1.388 70.156 68.868 -0.167 0.000 1.289 238 T HN 1.033 nan 8.240 nan 0.000 0.514 239 V N -1.275 118.579 119.914 -0.101 0.000 2.971 239 V HA 0.848 4.974 4.120 0.010 0.000 0.309 239 V C 0.201 176.261 176.094 -0.057 0.000 1.130 239 V CA -0.712 61.545 62.300 -0.072 0.000 0.964 239 V CB 1.244 33.023 31.823 -0.073 0.000 1.029 239 V HN 1.466 nan 8.190 nan 0.000 0.427 240 S N 2.527 118.199 115.700 -0.047 0.000 2.569 240 S HA 0.461 4.937 4.470 0.010 0.000 0.274 240 S C 1.533 176.117 174.600 -0.027 0.000 1.353 240 S CA 0.231 58.411 58.200 -0.034 0.000 1.023 240 S CB 1.049 64.230 63.200 -0.030 0.000 0.876 240 S HN 2.124 nan 8.310 nan 0.000 0.540 241 A N 2.640 125.449 122.820 -0.017 0.000 1.892 241 A HA 0.044 4.370 4.320 0.010 0.000 0.218 241 A C 2.295 179.870 177.584 -0.014 0.000 1.188 241 A CA 1.961 53.992 52.037 -0.010 0.000 0.631 241 A CB -1.924 17.074 19.000 -0.004 0.000 0.822 241 A HN 1.223 nan 8.150 nan 0.000 0.447 242 G N -0.586 108.204 108.800 -0.017 0.000 2.440 242 G HA2 -0.259 3.707 3.960 0.010 0.000 0.218 242 G HA3 -0.259 3.707 3.960 0.010 0.000 0.218 242 G C 1.490 176.375 174.900 -0.025 0.000 1.154 242 G CA 1.494 46.583 45.100 -0.019 0.000 0.767 242 G HN 0.598 nan 8.290 nan 0.000 0.552 243 E N 1.041 121.221 120.200 -0.033 0.000 2.072 243 E HA 0.137 4.493 4.350 0.010 0.000 0.190 243 E C 2.649 179.215 176.600 -0.057 0.000 0.982 243 E CA 1.346 57.719 56.400 -0.045 0.000 0.803 243 E CB -0.634 29.035 29.700 -0.051 0.000 0.755 243 E HN 0.250 nan 8.360 nan 0.000 0.453 244 A N 1.125 123.918 122.820 -0.046 0.000 1.940 244 A HA -0.207 4.119 4.320 0.010 0.000 0.219 244 A C 2.310 179.891 177.584 -0.005 0.000 1.176 244 A CA 1.836 53.855 52.037 -0.030 0.000 0.631 244 A CB -0.659 18.343 19.000 0.002 0.000 0.814 244 A HN 0.295 nan 8.150 nan 0.000 0.446 245 R N -0.620 119.874 120.500 -0.010 0.000 2.073 245 R HA -0.137 4.209 4.340 0.010 0.000 0.234 245 R C 2.455 178.748 176.300 -0.012 0.000 1.134 245 R CA 1.552 57.646 56.100 -0.010 0.000 0.952 245 R CB -0.359 29.933 30.300 -0.013 0.000 0.850 245 R HN 0.502 nan 8.270 nan 0.000 0.433 246 R N 0.440 120.928 120.500 -0.021 0.000 2.094 246 R HA -0.176 4.170 4.340 0.010 0.000 0.239 246 R C 2.337 178.623 176.300 -0.023 0.000 1.137 246 R CA 2.189 58.275 56.100 -0.023 0.000 0.943 246 R CB -0.159 30.122 30.300 -0.032 0.000 0.850 246 R HN 0.307 nan 8.270 nan 0.000 0.433 247 R N -0.451 120.019 120.500 -0.051 0.000 2.075 247 R HA -0.063 4.283 4.340 0.010 0.000 0.232 247 R C 2.342 178.685 176.300 0.071 0.000 1.126 247 R CA 1.240 57.292 56.100 -0.080 0.000 0.963 247 R CB -0.331 29.784 30.300 -0.310 0.000 0.858 247 R HN 0.256 nan 8.270 nan 0.000 0.435 248 A N 0.561 123.456 122.820 0.125 0.000 1.902 248 A HA -0.155 4.171 4.320 0.010 0.000 0.217 248 A C 2.132 179.732 177.584 0.026 0.000 1.181 248 A CA 1.948 54.060 52.037 0.125 0.000 0.623 248 A CB -0.740 18.278 19.000 0.030 0.000 0.818 248 A HN 0.278 nan 8.150 nan 0.000 0.443 249 T N -0.086 114.472 114.554 0.007 0.000 2.812 249 T HA -0.078 4.278 4.350 0.010 0.000 0.264 249 T C 1.820 176.520 174.700 -0.000 0.000 1.042 249 T CA 1.318 63.412 62.100 -0.010 0.000 1.140 249 T CB -0.312 68.549 68.868 -0.013 0.000 0.870 249 T HN 0.281 nan 8.240 nan 0.000 0.445 250 L N 1.267 122.500 121.223 0.015 0.000 2.017 250 L HA 0.083 4.429 4.340 0.010 0.000 0.208 250 L C 2.199 179.090 176.870 0.035 0.000 1.073 250 L CA 1.471 56.325 54.840 0.024 0.000 0.745 250 L CB -1.015 41.061 42.059 0.028 0.000 0.894 250 L HN 0.190 nan 8.230 nan 0.000 0.432 251 L N -0.212 121.053 121.223 0.069 0.000 2.042 251 L HA -0.140 4.206 4.340 0.010 0.000 0.210 251 L C 2.515 179.373 176.870 -0.020 0.000 1.076 251 L CA 2.076 56.955 54.840 0.065 0.000 0.749 251 L CB -0.910 41.235 42.059 0.144 0.000 0.893 251 L HN 0.296 nan 8.230 nan 0.000 0.432 252 A N -0.225 122.577 122.820 -0.031 0.000 1.873 252 A HA -0.264 4.062 4.320 0.010 0.000 0.218 252 A C 2.398 179.952 177.584 -0.050 0.000 1.193 252 A CA 2.084 54.090 52.037 -0.053 0.000 0.629 252 A CB -0.665 18.303 19.000 -0.054 0.000 0.826 252 A HN 0.521 nan 8.150 nan 0.000 0.447 253 R N -0.626 119.854 120.500 -0.034 0.000 2.096 253 R HA -0.134 4.212 4.340 0.010 0.000 0.240 253 R C 2.120 178.387 176.300 -0.055 0.000 1.139 253 R CA 1.659 57.740 56.100 -0.032 0.000 0.952 253 R CB -0.761 29.531 30.300 -0.013 0.000 0.854 253 R HN 0.559 nan 8.270 nan 0.000 0.436 254 L N 0.892 122.073 121.223 -0.069 0.000 2.187 254 L HA -0.132 4.214 4.340 0.010 0.000 0.213 254 L C 2.260 178.927 176.870 -0.337 0.000 1.100 254 L CA 0.946 55.700 54.840 -0.144 0.000 0.765 254 L CB -0.409 41.604 42.059 -0.077 0.000 0.904 254 L HN 0.162 nan 8.230 nan 0.000 0.437 255 V N -3.987 115.763 119.914 -0.274 0.000 3.647 255 V HA 0.482 4.608 4.120 0.010 0.000 0.279 255 V C 1.184 177.215 176.094 -0.105 0.000 1.314 255 V CA 0.380 62.533 62.300 -0.245 0.000 1.125 255 V CB -0.070 31.659 31.823 -0.157 0.000 0.907 255 V HN 0.462 nan 8.190 nan 0.000 0.434 256 G N -0.678 108.075 108.800 -0.079 0.000 2.135 256 G HA2 -0.192 3.774 3.960 0.010 0.000 0.183 256 G HA3 -0.192 3.774 3.960 0.010 0.000 0.183 256 G C -0.093 174.790 174.900 -0.028 0.000 1.004 256 G CA -0.151 44.925 45.100 -0.040 0.000 0.677 256 G HN 0.637 nan 8.290 nan 0.000 0.512 257 c N 2.015 120.595 118.600 -0.034 0.000 2.281 257 c HA 0.735 5.311 4.570 0.010 0.000 0.323 257 c C -1.368 172.708 174.090 -0.023 0.000 1.270 257 c CA -1.202 55.112 56.329 -0.024 0.000 1.559 257 c CB 1.190 43.684 42.510 -0.027 0.000 2.239 257 c HN 0.470 nan 8.230 nan 0.000 0.488 265 N N -0.236 118.460 118.700 -0.007 0.000 2.231 265 N HA 0.038 4.784 4.740 0.010 0.000 0.223 265 N C 0.630 176.133 175.510 -0.011 0.000 1.329 265 N CA 0.345 53.391 53.050 -0.008 0.000 0.889 265 N CB 0.817 39.301 38.487 -0.004 0.000 1.125 265 N HN -0.005 nan 8.380 nan 0.000 0.447 266 D N -0.761 119.631 120.400 -0.013 0.000 2.178 266 D HA -0.100 4.546 4.640 0.010 0.000 0.201 266 D C 1.352 177.643 176.300 -0.014 0.000 0.980 266 D CA 1.548 55.536 54.000 -0.020 0.000 0.842 266 D CB -0.603 40.185 40.800 -0.019 0.000 0.948 266 D HN 0.681 nan 8.370 nan 0.000 0.472 267 T N 0.885 115.437 114.554 -0.004 0.000 2.777 267 T HA -0.112 4.244 4.350 0.010 0.000 0.266 267 T C 1.794 176.498 174.700 0.007 0.000 1.040 267 T CA 1.045 63.148 62.100 0.005 0.000 1.141 267 T CB -0.129 68.744 68.868 0.008 0.000 0.868 267 T HN 0.288 nan 8.240 nan 0.000 0.444 268 E N 0.513 120.714 120.200 0.002 0.000 2.077 268 E HA -0.083 4.273 4.350 0.010 0.000 0.193 268 E C 2.175 178.775 176.600 -0.001 0.000 0.989 268 E CA 0.808 57.210 56.400 0.002 0.000 0.800 268 E CB -0.239 29.460 29.700 -0.001 0.000 0.746 268 E HN 0.241 nan 8.360 nan 0.000 0.452 269 L N 0.799 122.015 121.223 -0.012 0.000 2.027 269 L HA -0.152 4.194 4.340 0.010 0.000 0.206 269 L C 2.128 178.983 176.870 -0.027 0.000 1.074 269 L CA 1.393 56.218 54.840 -0.025 0.000 0.745 269 L CB -0.077 41.959 42.059 -0.039 0.000 0.898 269 L HN 0.081 nan 8.230 nan 0.000 0.433 270 I N -0.756 119.799 120.570 -0.025 0.000 2.353 270 I HA -0.227 3.949 4.170 0.010 0.000 0.248 270 I C 2.589 178.753 176.117 0.078 0.000 1.119 270 I CA 1.027 62.326 61.300 -0.002 0.000 1.417 270 I CB -0.607 37.391 38.000 -0.005 0.000 1.078 270 I HN 0.297 nan 8.210 nan 0.000 0.421 271 A N -0.196 122.655 122.820 0.052 0.000 1.908 271 A HA -0.316 4.010 4.320 0.010 0.000 0.218 271 A C 2.538 180.151 177.584 0.049 0.000 1.181 271 A CA 2.098 54.167 52.037 0.053 0.000 0.627 271 A CB -1.434 17.585 19.000 0.031 0.000 0.818 271 A HN 0.623 nan 8.150 nan 0.000 0.445 272 c N -0.552 118.068 118.600 0.033 0.000 2.432 272 c HA -0.020 4.556 4.570 0.010 0.000 0.277 272 c C 2.594 176.710 174.090 0.043 0.000 1.249 272 c CA 1.114 57.459 56.329 0.026 0.000 1.725 272 c CB -1.593 40.922 42.510 0.009 0.000 2.028 272 c HN 0.593 nan 8.230 nan 0.000 0.477 273 L N 0.316 121.575 121.223 0.061 0.000 2.129 273 L HA -0.154 4.192 4.340 0.010 0.000 0.212 273 L C 2.900 179.874 176.870 0.174 0.000 1.087 273 L CA 1.582 56.492 54.840 0.117 0.000 0.757 273 L CB -0.631 41.503 42.059 0.125 0.000 0.896 273 L HN 0.384 nan 8.230 nan 0.000 0.434 274 R N -0.695 119.904 120.500 0.165 0.000 2.280 274 R HA -0.071 4.275 4.340 0.010 0.000 0.207 274 R C 1.731 178.046 176.300 0.025 0.000 1.043 274 R CA 1.423 57.573 56.100 0.082 0.000 1.006 274 R CB -0.157 30.185 30.300 0.070 0.000 0.885 274 R HN 0.477 nan 8.270 nan 0.000 0.467 275 T N -2.099 112.475 114.554 0.032 0.000 3.069 275 T HA 0.219 4.575 4.350 0.010 0.000 0.252 275 T C 0.586 175.294 174.700 0.012 0.000 1.053 275 T CA -0.441 61.667 62.100 0.014 0.000 0.964 275 T CB 0.275 69.152 68.868 0.014 0.000 1.005 275 T HN -0.176 nan 8.240 nan 0.000 0.532 276 R N 2.698 123.210 120.500 0.019 0.000 2.357 276 R HA 0.447 4.793 4.340 0.010 0.000 0.296 276 R C -2.829 173.472 176.300 0.000 0.000 1.052 276 R CA -2.908 53.200 56.100 0.014 0.000 0.988 276 R CB -0.087 30.224 30.300 0.019 0.000 1.025 276 R HN 0.204 nan 8.270 nan 0.000 0.469 277 P HA -0.061 nan 4.420 nan 0.000 0.263 277 P C 0.365 177.625 177.300 -0.066 0.000 1.175 277 P CA 0.310 63.386 63.100 -0.039 0.000 0.761 277 P CB 0.537 32.223 31.700 -0.023 0.000 0.794 278 A N 3.037 125.760 122.820 -0.162 0.000 1.948 278 A HA -0.286 4.040 4.320 0.010 0.000 0.220 278 A C 2.152 179.579 177.584 -0.261 0.000 1.177 278 A CA 1.955 53.865 52.037 -0.212 0.000 0.636 278 A CB -1.089 17.439 19.000 -0.787 0.000 0.815 278 A HN 0.550 nan 8.150 nan 0.000 0.449 279 Q N -0.162 119.448 119.800 -0.317 0.000 2.167 279 Q HA -0.149 4.197 4.340 0.010 0.000 0.202 279 Q C 1.585 177.585 176.000 -0.001 0.000 0.970 279 Q CA 1.799 57.546 55.803 -0.093 0.000 0.855 279 Q CB -0.361 28.389 28.738 0.019 0.000 0.911 279 Q HN 0.593 nan 8.270 nan 0.000 0.438 280 D N -0.617 119.793 120.400 0.016 0.000 2.123 280 D HA -0.143 4.503 4.640 0.010 0.000 0.196 280 D C 1.716 178.108 176.300 0.154 0.000 0.992 280 D CA 1.100 55.161 54.000 0.102 0.000 0.833 280 D CB -0.061 40.799 40.800 0.099 0.000 0.954 280 D HN 0.336 nan 8.370 nan 0.000 0.455 281 L N -0.357 120.897 121.223 0.052 0.000 2.017 281 L HA -0.144 4.202 4.340 0.010 0.000 0.208 281 L C 2.647 179.525 176.870 0.013 0.000 1.073 281 L CA 0.610 55.438 54.840 -0.020 0.000 0.745 281 L CB -0.643 41.269 42.059 -0.244 0.000 0.894 281 L HN -0.053 nan 8.230 nan 0.000 0.432 282 V N -0.004 119.955 119.914 0.075 0.000 2.332 282 V HA -0.299 3.826 4.120 0.010 0.000 0.248 282 V C 1.964 178.123 176.094 0.109 0.000 1.055 282 V CA 1.942 64.341 62.300 0.164 0.000 1.038 282 V CB -0.617 31.359 31.823 0.255 0.000 0.651 282 V HN 0.437 nan 8.190 nan 0.000 0.450 283 D N -1.357 119.034 120.400 -0.016 0.000 2.351 283 D HA -0.106 4.540 4.640 0.010 0.000 0.216 283 D C 1.831 177.912 176.300 -0.364 0.000 0.968 283 D CA 1.075 54.980 54.000 -0.159 0.000 0.899 283 D CB -0.134 40.512 40.800 -0.257 0.000 0.907 283 D HN 0.576 nan 8.370 nan 0.000 0.514 284 H N -0.900 118.130 119.070 -0.067 0.000 3.058 284 H HA 0.121 4.683 4.556 0.010 0.000 0.258 284 H C 1.563 176.779 175.328 -0.186 0.000 1.015 284 H CA -0.045 55.861 56.048 -0.237 0.000 1.210 284 H CB 0.689 30.415 29.762 -0.060 0.000 1.481 284 H HN 0.221 nan 8.280 nan 0.000 0.492 285 E N 1.025 121.234 120.200 0.014 0.000 2.164 285 E HA -0.240 4.116 4.350 0.010 0.000 0.206 285 E C 0.897 177.338 176.600 -0.265 0.000 1.032 285 E CA 1.791 58.150 56.400 -0.069 0.000 0.832 285 E CB -0.072 29.524 29.700 -0.174 0.000 0.742 285 E HN 0.451 nan 8.360 nan 0.000 0.460 286 W N -0.793 120.533 121.300 0.043 0.000 3.047 286 W HA 0.055 4.721 4.660 0.010 0.000 0.250 286 W C 1.606 178.242 176.519 0.195 0.000 1.314 286 W CA 0.396 57.774 57.345 0.054 0.000 1.540 286 W CB 0.080 29.525 29.460 -0.025 0.000 1.127 286 W HN 0.255 nan 8.180 nan 0.000 0.679 287 H N -0.670 118.534 119.070 0.222 0.000 2.539 287 H HA 0.000 4.562 4.556 0.010 0.000 0.267 287 H C 1.928 177.316 175.328 0.101 0.000 0.982 287 H CA 0.777 56.929 56.048 0.173 0.000 1.146 287 H CB 0.283 30.165 29.762 0.201 0.000 1.382 287 H HN 0.126 nan 8.280 nan 0.000 0.577 288 V N -1.309 118.700 119.914 0.158 0.000 3.621 288 V HA 0.181 4.307 4.120 0.010 0.000 0.285 288 V C 0.505 176.586 176.094 -0.021 0.000 1.346 288 V CA -0.115 62.210 62.300 0.042 0.000 1.104 288 V CB -0.525 31.280 31.823 -0.029 0.000 0.913 288 V HN 0.118 nan 8.190 nan 0.000 0.432 289 L N 2.455 123.691 121.223 0.022 0.000 2.453 289 L HA 0.255 4.601 4.340 0.010 0.000 0.272 289 L C -0.335 176.543 176.870 0.012 0.000 1.182 289 L CA -1.042 53.803 54.840 0.008 0.000 0.858 289 L CB 0.785 42.886 42.059 0.071 0.000 1.120 289 L HN 0.150 nan 8.230 nan 0.000 0.474 290 P HA -0.083 nan 4.420 nan 0.000 0.219 290 P C -0.212 177.090 177.300 0.005 0.000 1.150 290 P CA 1.090 64.187 63.100 -0.005 0.000 0.814 290 P CB 0.433 32.123 31.700 -0.017 0.000 0.787 291 Q N -1.037 118.768 119.800 0.008 0.000 2.451 291 Q HA 0.347 4.693 4.340 0.010 0.000 0.281 291 Q C -0.548 175.462 176.000 0.016 0.000 1.099 291 Q CA -0.790 55.019 55.803 0.010 0.000 0.806 291 Q CB 1.362 30.102 28.738 0.004 0.000 1.419 291 Q HN -0.026 nan 8.270 nan 0.000 0.427 292 E N 0.894 121.103 120.200 0.014 0.000 2.465 292 E HA 0.276 4.632 4.350 0.010 0.000 0.260 292 E C -0.992 175.610 176.600 0.004 0.000 0.980 292 E CA 0.196 56.604 56.400 0.013 0.000 0.927 292 E CB 0.349 30.055 29.700 0.010 0.000 0.934 292 E HN 0.600 nan 8.360 nan 0.000 0.459 293 S N 3.382 119.080 115.700 -0.003 0.000 2.567 293 S HA 0.511 4.987 4.470 0.010 0.000 0.270 293 S C -0.733 173.841 174.600 -0.044 0.000 1.152 293 S CA -0.976 57.212 58.200 -0.020 0.000 0.835 293 S CB 0.684 63.871 63.200 -0.020 0.000 1.115 293 S HN 0.431 nan 8.310 nan 0.000 0.459 294 I N 1.241 121.780 120.570 -0.052 0.000 2.607 294 I HA 0.577 4.753 4.170 0.010 0.000 0.305 294 I C -0.192 175.851 176.117 -0.122 0.000 0.995 294 I CA -0.819 60.440 61.300 -0.069 0.000 1.148 294 I CB 0.975 38.953 38.000 -0.036 0.000 1.323 294 I HN 0.832 nan 8.210 nan 0.000 0.461 295 F N 3.677 123.349 119.950 -0.463 0.000 3.067 295 F HA -0.238 4.295 4.527 0.010 0.000 0.279 295 F C -0.153 175.121 175.800 -0.877 0.000 0.945 295 F CA 0.535 58.034 58.000 -0.835 0.000 0.948 295 F CB -0.739 37.688 39.000 -0.955 0.000 0.898 295 F HN 0.421 nan 8.300 nan 0.000 0.746 296 R N 0.429 120.502 120.500 -0.712 0.000 2.744 296 R HA 0.700 5.046 4.340 0.010 0.000 0.279 296 R C -1.061 174.862 176.300 -0.628 0.000 0.977 296 R CA -0.628 55.153 56.100 -0.531 0.000 0.906 296 R CB 1.583 31.791 30.300 -0.152 0.000 1.197 296 R HN 0.012 nan 8.270 nan 0.000 0.463 297 F N -0.978 119.126 119.950 0.257 0.000 2.578 297 F HA 0.343 4.876 4.527 0.009 0.000 0.311 297 F C 1.408 177.189 175.800 -0.032 0.000 1.094 297 F CA -0.778 57.357 58.000 0.225 0.000 0.923 297 F CB 2.009 41.224 39.000 0.359 0.000 1.230 297 F HN 0.351 nan 8.300 nan 0.000 0.450 298 S N 0.781 116.393 115.700 -0.147 0.000 2.355 298 S HA 0.029 4.505 4.470 0.010 0.000 0.222 298 S C -0.030 174.174 174.600 -0.660 0.000 1.031 298 S CA 1.168 59.082 58.200 -0.477 0.000 0.993 298 S CB -0.160 62.643 63.200 -0.662 0.000 0.859 298 S HN 0.353 nan 8.310 nan 0.000 0.453 299 F N 1.400 121.348 119.950 -0.002 0.000 2.434 299 F HA 0.534 5.067 4.527 0.010 0.000 0.355 299 F C -0.066 175.743 175.800 0.014 0.000 1.115 299 F CA -0.928 57.106 58.000 0.057 0.000 1.010 299 F CB 1.388 40.452 39.000 0.107 0.000 1.234 299 F HN -0.114 nan 8.300 nan 0.000 0.439 300 V N 0.871 120.753 119.914 -0.053 0.000 3.167 300 V HA 0.760 4.886 4.120 0.010 0.000 0.310 300 V C -2.907 172.811 176.094 -0.627 0.000 1.207 300 V CA -3.345 58.602 62.300 -0.588 0.000 1.059 300 V CB 1.983 33.646 31.823 -0.266 0.000 1.079 300 V HN 0.262 nan 8.190 nan 0.000 0.446 301 P HA 0.146 nan 4.420 nan 0.000 0.264 301 P C -0.630 176.543 177.300 -0.211 0.000 1.179 301 P CA 0.502 63.330 63.100 -0.453 0.000 0.763 301 P CB 0.578 31.957 31.700 -0.535 0.000 0.806 302 V N 4.672 124.541 119.914 -0.075 0.000 2.630 302 V HA 0.264 4.390 4.120 0.010 0.000 0.305 302 V C -0.356 175.726 176.094 -0.020 0.000 1.046 302 V CA -0.820 61.457 62.300 -0.038 0.000 0.934 302 V CB 2.113 33.942 31.823 0.010 0.000 1.003 302 V HN 0.118 nan 8.190 nan 0.000 0.451 303 V N 6.779 126.682 119.914 -0.018 0.000 2.313 303 V HA 0.232 4.358 4.120 0.010 0.000 0.252 303 V C 0.595 176.698 176.094 0.016 0.000 1.112 303 V CA 0.089 62.389 62.300 0.001 0.000 0.984 303 V CB 0.287 32.101 31.823 -0.014 0.000 1.157 303 V HN 1.052 nan 8.190 nan 0.000 0.493 304 D N 2.539 122.963 120.400 0.040 0.000 2.360 304 D HA 0.114 4.760 4.640 0.010 0.000 0.210 304 D C 1.553 177.877 176.300 0.041 0.000 1.047 304 D CA 0.660 54.685 54.000 0.043 0.000 0.854 304 D CB 0.390 41.227 40.800 0.063 0.000 0.936 304 D HN 0.653 nan 8.370 nan 0.000 0.514 305 G N 0.685 109.509 108.800 0.040 0.000 2.153 305 G HA2 -0.322 3.644 3.960 0.010 0.000 0.252 305 G HA3 -0.322 3.644 3.960 0.010 0.000 0.252 305 G C 0.332 175.255 174.900 0.038 0.000 0.994 305 G CA 0.798 45.917 45.100 0.031 0.000 0.698 305 G HN 0.543 nan 8.290 nan 0.000 0.521 306 D N -1.760 118.679 120.400 0.065 0.000 3.000 306 D HA 0.228 4.874 4.640 0.010 0.000 0.190 306 D C 1.688 178.043 176.300 0.091 0.000 1.503 306 D CA 0.344 54.388 54.000 0.072 0.000 1.496 306 D CB -0.645 40.208 40.800 0.089 0.000 1.163 306 D HN 0.059 nan 8.370 nan 0.000 0.231 307 F N 1.137 121.100 119.950 0.022 0.000 2.126 307 F HA 0.176 4.709 4.527 0.009 0.000 0.299 307 F C 0.571 176.378 175.800 0.012 0.000 1.096 307 F CA 1.209 59.223 58.000 0.024 0.000 1.255 307 F CB 0.208 39.223 39.000 0.025 0.000 0.997 307 F HN -0.013 nan 8.300 nan 0.000 0.479 308 L N 0.662 122.035 121.223 0.251 0.000 2.318 308 L HA 0.191 4.537 4.340 0.010 0.000 0.277 308 L C 1.272 178.182 176.870 0.067 0.000 1.008 308 L CA -0.250 54.674 54.840 0.140 0.000 0.846 308 L CB 1.467 43.604 42.059 0.130 0.000 1.220 308 L HN 0.041 nan 8.230 nan 0.000 0.423 309 S N 0.392 116.111 115.700 0.032 0.000 2.453 309 S HA 0.017 4.493 4.470 0.010 0.000 0.231 309 S C 0.436 175.044 174.600 0.013 0.000 1.005 309 S CA 0.366 58.575 58.200 0.015 0.000 0.949 309 S CB 0.196 63.394 63.200 -0.002 0.000 0.774 309 S HN 0.694 nan 8.310 nan 0.000 0.510 310 D N 0.299 120.708 120.400 0.015 0.000 2.692 310 D HA 0.290 4.936 4.640 0.010 0.000 0.303 310 D C -0.850 175.453 176.300 0.005 0.000 1.278 310 D CA -0.005 53.999 54.000 0.007 0.000 0.852 310 D CB 1.402 42.204 40.800 0.003 0.000 1.375 310 D HN 0.206 nan 8.370 nan 0.000 0.453 311 T N -0.830 113.720 114.554 -0.006 0.000 2.937 311 T HA 0.196 4.552 4.350 0.010 0.000 0.316 311 T C -1.787 172.905 174.700 -0.013 0.000 1.079 311 T CA -0.612 61.476 62.100 -0.019 0.000 1.131 311 T CB 0.901 69.752 68.868 -0.029 0.000 1.000 311 T HN 0.107 nan 8.240 nan 0.000 0.549 312 P HA -0.107 nan 4.420 nan 0.000 0.217 312 P C 1.320 178.611 177.300 -0.014 0.000 1.148 312 P CA 1.126 64.211 63.100 -0.024 0.000 0.828 312 P CB 0.077 31.733 31.700 -0.073 0.000 0.783 313 E N -0.565 119.617 120.200 -0.030 0.000 2.051 313 E HA -0.131 4.225 4.350 0.010 0.000 0.192 313 E C 2.171 178.774 176.600 0.006 0.000 0.991 313 E CA 1.534 57.923 56.400 -0.019 0.000 0.799 313 E CB -1.108 28.573 29.700 -0.032 0.000 0.748 313 E HN 0.113 nan 8.360 nan 0.000 0.449 314 A N 0.450 123.273 122.820 0.004 0.000 1.933 314 A HA -0.162 4.164 4.320 0.010 0.000 0.218 314 A C 2.161 179.765 177.584 0.032 0.000 1.175 314 A CA 1.218 53.263 52.037 0.013 0.000 0.628 314 A CB -0.627 18.375 19.000 0.004 0.000 0.814 314 A HN 0.190 nan 8.150 nan 0.000 0.444 315 L N -0.201 121.049 121.223 0.045 0.000 2.072 315 L HA -0.092 4.254 4.340 0.010 0.000 0.205 315 L C 2.593 179.566 176.870 0.171 0.000 1.079 315 L CA 1.350 56.239 54.840 0.082 0.000 0.752 315 L CB -0.627 41.482 42.059 0.084 0.000 0.906 315 L HN 0.654 nan 8.230 nan 0.000 0.436 316 I N -2.322 118.342 120.570 0.158 0.000 2.394 316 I HA -0.175 4.001 4.170 0.010 0.000 0.251 316 I C 1.832 178.074 176.117 0.208 0.000 1.136 316 I CA 1.490 62.918 61.300 0.213 0.000 1.425 316 I CB -0.454 37.576 38.000 0.050 0.000 1.079 316 I HN 0.194 nan 8.210 nan 0.000 0.425 317 N N 1.026 119.794 118.700 0.113 0.000 2.457 317 N HA -0.072 4.674 4.740 0.010 0.000 0.180 317 N C 1.629 177.183 175.510 0.073 0.000 1.050 317 N CA 1.779 54.879 53.050 0.083 0.000 0.906 317 N CB -0.121 38.393 38.487 0.045 0.000 0.968 317 N HN 0.726 nan 8.380 nan 0.000 0.445 318 T N -4.558 110.034 114.554 0.064 0.000 3.016 318 T HA 0.299 4.655 4.350 0.010 0.000 0.271 318 T C 0.914 175.585 174.700 -0.047 0.000 0.968 318 T CA -0.356 61.751 62.100 0.013 0.000 0.891 318 T CB 0.134 69.000 68.868 -0.002 0.000 1.149 318 T HN 0.016 nan 8.240 nan 0.000 0.524 319 G N 0.956 109.715 108.800 -0.069 0.000 2.569 319 G HA2 0.421 4.387 3.960 0.010 0.000 0.249 319 G HA3 0.421 4.387 3.960 0.010 0.000 0.249 319 G C -1.048 173.511 174.900 -0.569 0.000 1.216 319 G CA -0.327 44.533 45.100 -0.401 0.000 0.845 319 G HN 0.278 nan 8.290 nan 0.000 0.568 320 D N 0.428 120.432 120.400 -0.660 0.000 2.329 320 D HA 0.311 4.957 4.640 0.010 0.000 0.232 320 D C -0.505 175.440 176.300 -0.591 0.000 1.088 320 D CA -0.652 53.090 54.000 -0.431 0.000 0.835 320 D CB 0.840 41.496 40.800 -0.240 0.000 1.078 320 D HN 0.103 nan 8.370 nan 0.000 0.495 321 F N 2.171 122.127 119.950 0.010 0.000 2.791 321 F HA 0.192 4.725 4.527 0.010 0.000 0.308 321 F C 2.043 177.853 175.800 0.018 0.000 1.138 321 F CA -0.422 57.589 58.000 0.017 0.000 1.294 321 F CB 0.192 39.210 39.000 0.031 0.000 0.975 321 F HN 0.399 nan 8.300 nan 0.000 0.512 322 Q N 1.452 121.311 119.800 0.099 0.000 2.112 322 Q HA -0.236 4.110 4.340 0.010 0.000 0.206 322 Q C 1.598 177.640 176.000 0.071 0.000 0.987 322 Q CA 2.387 58.231 55.803 0.069 0.000 0.858 322 Q CB -0.008 28.743 28.738 0.022 0.000 0.905 322 Q HN 0.504 nan 8.270 nan 0.000 0.420 323 D N -0.664 119.775 120.400 0.065 0.000 2.339 323 D HA -0.021 4.625 4.640 0.010 0.000 0.217 323 D C 0.098 176.444 176.300 0.076 0.000 1.050 323 D CA -0.115 53.915 54.000 0.050 0.000 0.856 323 D CB 0.046 40.856 40.800 0.016 0.000 0.922 323 D HN 0.184 nan 8.370 nan 0.000 0.518 324 L N 0.736 122.034 121.223 0.125 0.000 2.309 324 L HA 0.390 4.736 4.340 0.010 0.000 0.282 324 L C -0.916 176.047 176.870 0.155 0.000 1.036 324 L CA -0.351 54.579 54.840 0.151 0.000 0.806 324 L CB 1.823 44.013 42.059 0.218 0.000 1.220 324 L HN -0.215 nan 8.230 nan 0.000 0.429 325 Q N 3.925 123.836 119.800 0.185 0.000 2.331 325 Q HA 0.704 5.050 4.340 0.010 0.000 0.267 325 Q C -1.338 174.942 176.000 0.467 0.000 1.006 325 Q CA -0.680 55.292 55.803 0.282 0.000 0.818 325 Q CB 2.462 31.327 28.738 0.211 0.000 1.276 325 Q HN 0.574 nan 8.270 nan 0.000 0.450 326 V N 0.288 120.425 119.914 0.371 0.000 2.789 326 V HA 0.716 4.842 4.120 0.010 0.000 0.311 326 V C -1.248 174.780 176.094 -0.109 0.000 1.073 326 V CA -1.112 61.305 62.300 0.195 0.000 0.921 326 V CB 1.712 33.574 31.823 0.065 0.000 1.009 326 V HN 0.672 nan 8.190 nan 0.000 0.426 327 L N 5.461 126.392 121.223 -0.487 0.000 2.313 327 L HA 0.906 5.252 4.340 0.010 0.000 0.283 327 L C -0.325 176.439 176.870 -0.178 0.000 1.013 327 L CA -0.249 54.268 54.840 -0.539 0.000 0.816 327 L CB 1.611 42.948 42.059 -1.205 0.000 1.236 327 L HN 0.947 nan 8.230 nan 0.000 0.419 328 V N 1.793 121.674 119.914 -0.055 0.000 2.962 328 V HA 1.119 5.245 4.120 0.010 0.000 0.313 328 V C -0.232 175.675 176.094 -0.311 0.000 1.099 328 V CA 0.138 62.390 62.300 -0.081 0.000 0.971 328 V CB 1.196 32.936 31.823 -0.138 0.000 1.028 328 V HN 1.012 nan 8.190 nan 0.000 0.430 329 G N 0.653 109.126 108.800 -0.545 0.000 2.441 329 G HA2 0.754 4.720 3.960 0.010 0.000 0.294 329 G HA3 0.754 4.720 3.960 0.010 0.000 0.294 329 G C -1.258 173.327 174.900 -0.525 0.000 1.393 329 G CA 0.081 44.467 45.100 -1.191 0.000 0.796 329 G HN 2.083 nan 8.290 nan 0.000 0.494 330 V N -2.219 117.515 119.914 -0.299 0.000 3.078 330 V HA 0.916 5.042 4.120 0.010 0.000 0.311 330 V C 0.356 176.638 176.094 0.313 0.000 1.138 330 V CA -0.422 61.928 62.300 0.084 0.000 1.007 330 V CB 1.127 32.982 31.823 0.053 0.000 1.045 330 V HN 1.910 nan 8.190 nan 0.000 0.432 331 V N 0.153 120.278 119.914 0.351 0.000 3.134 331 V HA 0.549 4.675 4.120 0.010 0.000 0.313 331 V C 1.397 177.687 176.094 0.327 0.000 1.069 331 V CA 0.036 62.592 62.300 0.427 0.000 1.048 331 V CB 1.199 33.263 31.823 0.400 0.000 1.119 331 V HN 1.068 nan 8.190 nan 0.000 0.461 332 K N -0.140 120.449 120.400 0.315 0.000 2.147 332 K HA -0.058 4.268 4.320 0.010 0.000 0.205 332 K C 0.399 177.121 176.600 0.202 0.000 1.049 332 K CA 1.834 58.258 56.287 0.228 0.000 0.936 332 K CB 0.073 32.686 32.500 0.188 0.000 0.722 332 K HN 0.909 nan 8.250 nan 0.000 0.446 333 D N 0.889 121.416 120.400 0.212 0.000 2.749 333 D HA 0.023 4.669 4.640 0.010 0.000 0.338 333 D C 0.109 176.533 176.300 0.207 0.000 1.236 333 D CA -0.070 54.039 54.000 0.183 0.000 0.845 333 D CB 1.210 42.094 40.800 0.141 0.000 1.080 333 D HN 0.110 nan 8.370 nan 0.000 0.497 334 E N 0.590 120.928 120.200 0.230 0.000 2.147 334 E HA -0.160 4.196 4.350 0.010 0.000 0.199 334 E C 1.957 178.720 176.600 0.271 0.000 1.005 334 E CA 0.979 57.547 56.400 0.280 0.000 0.810 334 E CB 0.059 29.891 29.700 0.220 0.000 0.736 334 E HN 0.455 nan 8.360 nan 0.000 0.460 335 G N 0.700 109.619 108.800 0.199 0.000 2.603 335 G HA2 -0.160 3.806 3.960 0.010 0.000 0.214 335 G HA3 -0.160 3.806 3.960 0.010 0.000 0.214 335 G C 1.715 176.761 174.900 0.243 0.000 1.140 335 G CA 0.836 46.060 45.100 0.208 0.000 0.800 335 G HN 0.385 nan 8.290 nan 0.000 0.533 336 S N 1.657 117.453 115.700 0.160 0.000 2.359 336 S HA 0.001 4.477 4.470 0.010 0.000 0.224 336 S C 2.642 177.228 174.600 -0.022 0.000 1.035 336 S CA 1.617 59.881 58.200 0.107 0.000 1.018 336 S CB -0.682 62.537 63.200 0.031 0.000 0.876 336 S HN 0.559 nan 8.310 nan 0.000 0.448 337 A N 1.034 123.750 122.820 -0.174 0.000 1.948 337 A HA 0.017 4.343 4.320 0.010 0.000 0.220 337 A C 1.913 179.364 177.584 -0.223 0.000 1.177 337 A CA 1.633 53.438 52.037 -0.387 0.000 0.636 337 A CB -1.199 17.456 19.000 -0.575 0.000 0.815 337 A HN 0.605 nan 8.150 nan 0.000 0.449 338 F N -0.056 119.832 119.950 -0.102 0.000 2.365 338 F HA -0.020 4.513 4.527 0.010 0.000 0.300 338 F C 1.919 177.718 175.800 -0.002 0.000 1.090 338 F CA 0.852 58.799 58.000 -0.089 0.000 1.408 338 F CB -0.351 38.524 39.000 -0.209 0.000 1.060 338 F HN 0.112 nan 8.300 nan 0.000 0.534 339 L N -0.169 121.107 121.223 0.089 0.000 2.217 339 L HA -0.099 4.247 4.340 0.010 0.000 0.211 339 L C 2.226 179.124 176.870 0.046 0.000 1.107 339 L CA 0.745 55.505 54.840 -0.133 0.000 0.783 339 L CB -0.825 40.883 42.059 -0.584 0.000 0.919 339 L HN 0.157 nan 8.230 nan 0.000 0.442 340 V N -4.847 115.173 119.914 0.176 0.000 3.573 340 V HA -0.094 4.032 4.120 0.010 0.000 0.270 340 V C 0.626 176.696 176.094 -0.041 0.000 1.221 340 V CA 0.283 62.689 62.300 0.176 0.000 1.163 340 V CB -1.244 30.744 31.823 0.276 0.000 0.847 340 V HN 0.217 nan 8.190 nan 0.000 0.468 341 Y N 2.384 122.693 120.300 0.015 0.000 2.736 341 Y HA 0.656 5.212 4.550 0.010 0.000 0.339 341 Y C 1.571 177.440 175.900 -0.051 0.000 1.301 341 Y CA 0.014 58.083 58.100 -0.051 0.000 1.676 341 Y CB 0.249 38.640 38.460 -0.115 0.000 1.725 341 Y HN 0.363 nan 8.280 nan 0.000 0.466 342 G N -0.058 108.770 108.800 0.047 0.000 2.176 342 G HA2 -0.275 3.691 3.960 0.010 0.000 0.253 342 G HA3 -0.275 3.691 3.960 0.010 0.000 0.253 342 G C -0.131 174.812 174.900 0.072 0.000 0.979 342 G CA 0.010 45.134 45.100 0.040 0.000 0.641 342 G HN 0.311 nan 8.290 nan 0.000 0.530 343 V N 2.316 122.290 119.914 0.102 0.000 2.446 343 V HA 0.332 4.458 4.120 0.010 0.000 0.276 343 V C -1.284 174.985 176.094 0.291 0.000 1.030 343 V CA -1.022 61.370 62.300 0.154 0.000 1.033 343 V CB 0.780 32.625 31.823 0.036 0.000 0.993 343 V HN 0.153 nan 8.190 nan 0.000 0.477 344 P HA 0.292 nan 4.420 nan 0.000 0.268 344 P C 1.022 178.410 177.300 0.146 0.000 1.205 344 P CA 1.218 64.403 63.100 0.142 0.000 0.771 344 P CB 0.801 32.548 31.700 0.078 0.000 0.858 345 G N 1.017 109.826 108.800 0.016 0.000 2.232 345 G HA2 -0.213 3.753 3.960 0.010 0.000 0.226 345 G HA3 -0.213 3.753 3.960 0.010 0.000 0.226 345 G C -0.172 174.496 174.900 -0.385 0.000 0.996 345 G CA -0.550 44.415 45.100 -0.225 0.000 0.626 345 G HN 0.401 nan 8.290 nan 0.000 0.509 346 F N 1.377 121.325 119.950 -0.004 0.000 2.450 346 F HA 0.809 5.342 4.527 0.010 0.000 0.332 346 F C 0.562 176.441 175.800 0.132 0.000 1.093 346 F CA -0.153 57.861 58.000 0.023 0.000 1.003 346 F CB 2.333 41.388 39.000 0.091 0.000 1.151 346 F HN 0.207 nan 8.300 nan 0.000 0.474 347 S N 1.312 117.254 115.700 0.403 0.000 2.565 347 S HA 0.268 4.744 4.470 0.010 0.000 0.269 347 S C 0.242 175.169 174.600 0.545 0.000 1.153 347 S CA -0.845 57.604 58.200 0.415 0.000 0.835 347 S CB 1.459 64.801 63.200 0.236 0.000 1.122 347 S HN 0.778 nan 8.310 nan 0.000 0.462 348 K N 0.980 121.586 120.400 0.343 0.000 2.365 348 K HA 0.067 4.393 4.320 0.010 0.000 0.199 348 K C 0.015 176.629 176.600 0.023 0.000 1.045 348 K CA 1.332 57.689 56.287 0.118 0.000 0.962 348 K CB -0.153 32.138 32.500 -0.349 0.000 0.759 348 K HN 0.481 nan 8.250 nan 0.000 0.469 349 D N 0.939 121.353 120.400 0.023 0.000 2.349 349 D HA 0.014 4.660 4.640 0.010 0.000 0.214 349 D C -0.246 176.086 176.300 0.053 0.000 1.063 349 D CA 0.228 54.216 54.000 -0.020 0.000 0.847 349 D CB 0.117 40.885 40.800 -0.052 0.000 0.933 349 D HN 0.481 nan 8.370 nan 0.000 0.513 350 N N -1.043 117.734 118.700 0.129 0.000 2.902 350 N HA 0.079 4.825 4.740 0.010 0.000 0.268 350 N C 0.361 175.936 175.510 0.109 0.000 1.450 350 N CA -0.516 52.583 53.050 0.081 0.000 0.819 350 N CB 0.914 39.403 38.487 0.004 0.000 1.540 350 N HN -0.428 nan 8.380 nan 0.000 0.545 351 E N -0.322 119.860 120.200 -0.030 0.000 2.482 351 E HA 0.017 4.373 4.350 0.010 0.000 0.196 351 E C -0.381 175.848 176.600 -0.618 0.000 1.047 351 E CA 0.391 56.690 56.400 -0.167 0.000 0.869 351 E CB -0.550 29.101 29.700 -0.082 0.000 0.836 351 E HN 0.608 nan 8.360 nan 0.000 0.520 352 S N 0.223 115.606 115.700 -0.528 0.000 3.581 352 S HA -0.202 4.274 4.470 0.010 0.000 0.354 352 S C 0.412 174.617 174.600 -0.657 0.000 1.059 352 S CA 0.180 57.965 58.200 -0.692 0.000 1.060 352 S CB -1.979 60.603 63.200 -1.030 0.000 0.908 352 S HN 0.310 nan 8.310 nan 0.000 0.475 353 L N 1.762 122.733 121.223 -0.420 0.000 2.600 353 L HA 0.273 4.619 4.340 0.010 0.000 0.278 353 L C 0.868 177.550 176.870 -0.314 0.000 1.139 353 L CA 0.084 54.735 54.840 -0.314 0.000 0.933 353 L CB -0.329 41.609 42.059 -0.201 0.000 1.266 353 L HN 0.451 nan 8.230 nan 0.000 0.471 354 I N 0.213 120.577 120.570 -0.343 0.000 2.924 354 I HA 0.608 4.784 4.170 0.010 0.000 0.316 354 I C 0.666 176.696 176.117 -0.145 0.000 1.014 354 I CA -0.625 60.499 61.300 -0.293 0.000 1.106 354 I CB 1.692 39.470 38.000 -0.370 0.000 1.311 354 I HN 0.511 nan 8.210 nan 0.000 0.502 355 S N 2.169 117.815 115.700 -0.089 0.000 2.652 355 S HA 0.366 4.842 4.470 0.010 0.000 0.270 355 S C 0.931 175.553 174.600 0.037 0.000 1.243 355 S CA -0.566 57.615 58.200 -0.032 0.000 0.999 355 S CB 1.624 64.810 63.200 -0.024 0.000 0.973 355 S HN 0.857 nan 8.310 nan 0.000 0.544 356 R N 0.716 121.242 120.500 0.044 0.000 2.105 356 R HA -0.120 4.226 4.340 0.010 0.000 0.239 356 R C 2.256 178.642 176.300 0.142 0.000 1.135 356 R CA 1.751 57.916 56.100 0.108 0.000 0.967 356 R CB -1.078 29.257 30.300 0.059 0.000 0.861 356 R HN 0.844 nan 8.270 nan 0.000 0.442 357 A N 0.284 123.151 122.820 0.079 0.000 1.898 357 A HA -0.181 4.145 4.320 0.010 0.000 0.216 357 A C 2.011 179.634 177.584 0.065 0.000 1.181 357 A CA 1.412 53.486 52.037 0.061 0.000 0.620 357 A CB -0.399 18.621 19.000 0.033 0.000 0.819 357 A HN 0.506 nan 8.150 nan 0.000 0.442 358 Q N -1.853 117.989 119.800 0.070 0.000 2.167 358 Q HA -0.109 4.237 4.340 0.010 0.000 0.202 358 Q C 1.854 177.947 176.000 0.156 0.000 0.970 358 Q CA 1.442 57.293 55.803 0.079 0.000 0.855 358 Q CB -0.264 28.486 28.738 0.020 0.000 0.911 358 Q HN 0.804 nan 8.270 nan 0.000 0.438 359 F N 0.989 120.964 119.950 0.042 0.000 2.146 359 F HA -0.200 4.332 4.527 0.010 0.000 0.298 359 F C 1.896 177.732 175.800 0.059 0.000 1.096 359 F CA 0.714 58.754 58.000 0.066 0.000 1.275 359 F CB -0.017 39.007 39.000 0.040 0.000 1.008 359 F HN 0.070 nan 8.300 nan 0.000 0.480 360 L N 1.207 122.352 121.223 -0.130 0.000 2.046 360 L HA -0.013 4.333 4.340 0.010 0.000 0.208 360 L C 2.387 179.171 176.870 -0.142 0.000 1.077 360 L CA 2.093 56.812 54.840 -0.201 0.000 0.747 360 L CB -1.477 40.557 42.059 -0.042 0.000 0.896 360 L HN 0.164 nan 8.230 nan 0.000 0.432 361 A N -0.371 122.417 122.820 -0.053 0.000 1.902 361 A HA -0.048 4.278 4.320 0.010 0.000 0.217 361 A C 2.354 179.920 177.584 -0.030 0.000 1.181 361 A CA 1.479 53.503 52.037 -0.022 0.000 0.623 361 A CB -1.603 17.406 19.000 0.016 0.000 0.818 361 A HN 0.537 nan 8.150 nan 0.000 0.443 362 G N -0.679 108.108 108.800 -0.023 0.000 2.422 362 G HA2 -0.115 3.851 3.960 0.010 0.000 0.218 362 G HA3 -0.115 3.851 3.960 0.010 0.000 0.218 362 G C 1.484 176.317 174.900 -0.112 0.000 1.146 362 G CA 1.236 46.327 45.100 -0.016 0.000 0.769 362 G HN 0.323 nan 8.290 nan 0.000 0.547 363 V N 0.843 120.613 119.914 -0.240 0.000 2.453 363 V HA -0.091 4.035 4.120 0.010 0.000 0.247 363 V C 2.950 178.978 176.094 -0.109 0.000 1.048 363 V CA 1.433 63.594 62.300 -0.232 0.000 1.049 363 V CB -0.333 31.266 31.823 -0.374 0.000 0.672 363 V HN 0.208 nan 8.190 nan 0.000 0.457 364 R N -0.099 120.348 120.500 -0.088 0.000 2.120 364 R HA -0.016 4.330 4.340 0.010 0.000 0.234 364 R C 2.029 178.311 176.300 -0.029 0.000 1.123 364 R CA 1.417 57.490 56.100 -0.044 0.000 0.975 364 R CB -0.824 29.457 30.300 -0.032 0.000 0.866 364 R HN 0.455 nan 8.270 nan 0.000 0.446 365 I N -0.480 120.071 120.570 -0.031 0.000 2.400 365 I HA -0.072 4.104 4.170 0.010 0.000 0.248 365 I C 2.217 178.321 176.117 -0.021 0.000 1.109 365 I CA 1.272 62.560 61.300 -0.019 0.000 1.425 365 I CB -0.454 37.539 38.000 -0.012 0.000 1.094 365 I HN 0.210 nan 8.210 nan 0.000 0.425 366 G N 0.254 109.034 108.800 -0.033 0.000 2.448 366 G HA2 -0.063 3.903 3.960 0.010 0.000 0.218 366 G HA3 -0.063 3.903 3.960 0.010 0.000 0.218 366 G C 0.871 175.775 174.900 0.007 0.000 1.135 366 G CA 0.392 45.475 45.100 -0.027 0.000 0.784 366 G HN 0.244 nan 8.290 nan 0.000 0.543 367 V N 2.082 121.992 119.914 -0.007 0.000 2.446 367 V HA 0.210 4.336 4.120 0.010 0.000 0.257 367 V C -1.419 174.680 176.094 0.008 0.000 1.036 367 V CA -1.072 61.219 62.300 -0.015 0.000 1.196 367 V CB 1.359 33.164 31.823 -0.030 0.000 1.446 367 V HN 0.078 nan 8.190 nan 0.000 0.558 368 P HA -0.193 nan 4.420 nan 0.000 0.220 368 P C 1.364 178.671 177.300 0.011 0.000 1.148 368 P CA 1.119 64.225 63.100 0.011 0.000 0.803 368 P CB 0.316 32.022 31.700 0.009 0.000 0.782 369 Q N -0.180 119.634 119.800 0.024 0.000 2.444 369 Q HA 0.140 4.486 4.340 0.010 0.000 0.206 369 Q C 0.388 176.390 176.000 0.003 0.000 0.948 369 Q CA 0.155 55.967 55.803 0.016 0.000 0.946 369 Q CB -0.465 28.291 28.738 0.031 0.000 1.027 369 Q HN 0.055 nan 8.270 nan 0.000 0.513 370 A N 1.747 124.567 122.820 -0.000 0.000 2.301 370 A HA 0.493 4.819 4.320 0.010 0.000 0.298 370 A C 0.388 177.967 177.584 -0.009 0.000 1.185 370 A CA -0.196 51.835 52.037 -0.009 0.000 0.830 370 A CB 0.683 19.679 19.000 -0.006 0.000 1.112 370 A HN 0.474 nan 8.150 nan 0.000 0.508 371 S N 1.875 117.567 115.700 -0.013 0.000 2.598 371 S HA 0.042 4.518 4.470 0.010 0.000 0.256 371 S C 0.422 175.023 174.600 0.002 0.000 1.350 371 S CA 0.347 58.542 58.200 -0.008 0.000 0.984 371 S CB 0.273 63.465 63.200 -0.013 0.000 0.930 371 S HN 0.625 nan 8.310 nan 0.000 0.577 372 D N -0.029 120.375 120.400 0.007 0.000 2.149 372 D HA -0.068 4.578 4.640 0.010 0.000 0.198 372 D C 1.715 178.032 176.300 0.029 0.000 0.990 372 D CA 0.861 54.871 54.000 0.016 0.000 0.839 372 D CB -0.434 40.376 40.800 0.017 0.000 0.948 372 D HN 0.407 nan 8.370 nan 0.000 0.460 373 L N 0.798 122.038 121.223 0.028 0.000 2.027 373 L HA -0.017 4.329 4.340 0.010 0.000 0.206 373 L C 2.167 179.075 176.870 0.064 0.000 1.074 373 L CA 1.641 56.509 54.840 0.046 0.000 0.745 373 L CB -0.869 41.212 42.059 0.036 0.000 0.898 373 L HN -0.026 nan 8.230 nan 0.000 0.433 374 A N -0.551 122.288 122.820 0.032 0.000 1.908 374 A HA -0.185 4.141 4.320 0.010 0.000 0.218 374 A C 2.426 180.049 177.584 0.065 0.000 1.181 374 A CA 2.044 54.097 52.037 0.027 0.000 0.627 374 A CB -1.176 17.806 19.000 -0.029 0.000 0.818 374 A HN 0.554 nan 8.150 nan 0.000 0.445 375 A N -0.580 122.267 122.820 0.045 0.000 1.930 375 A HA -0.100 4.226 4.320 0.010 0.000 0.217 375 A C 1.957 179.583 177.584 0.070 0.000 1.175 375 A CA 2.014 54.076 52.037 0.041 0.000 0.627 375 A CB -0.451 18.554 19.000 0.008 0.000 0.815 375 A HN 0.551 nan 8.150 nan 0.000 0.443 376 E N 0.335 120.586 120.200 0.085 0.000 2.110 376 E HA -0.079 4.277 4.350 0.010 0.000 0.193 376 E C 2.005 178.703 176.600 0.163 0.000 0.988 376 E CA 1.500 57.970 56.400 0.116 0.000 0.804 376 E CB -0.430 29.333 29.700 0.104 0.000 0.745 376 E HN 0.478 nan 8.360 nan 0.000 0.458 377 A N 0.039 122.973 122.820 0.190 0.000 1.883 377 A HA -0.188 4.138 4.320 0.010 0.000 0.217 377 A C 2.487 180.206 177.584 0.226 0.000 1.186 377 A CA 1.845 54.044 52.037 0.271 0.000 0.624 377 A CB -0.923 18.335 19.000 0.429 0.000 0.822 377 A HN 0.204 nan 8.150 nan 0.000 0.444 378 V N -0.475 119.590 119.914 0.252 0.000 2.287 378 V HA -0.246 3.880 4.120 0.010 0.000 0.248 378 V C 2.550 178.819 176.094 0.292 0.000 1.053 378 V CA 2.051 64.466 62.300 0.191 0.000 1.027 378 V CB -0.899 31.023 31.823 0.165 0.000 0.646 378 V HN 0.370 nan 8.190 nan 0.000 0.447 379 V N -0.333 119.722 119.914 0.234 0.000 2.343 379 V HA -0.228 3.898 4.120 0.010 0.000 0.247 379 V C 2.288 178.610 176.094 0.380 0.000 1.051 379 V CA 1.853 64.357 62.300 0.339 0.000 1.036 379 V CB -0.463 31.485 31.823 0.210 0.000 0.654 379 V HN 0.439 nan 8.190 nan 0.000 0.451 380 L N -0.715 120.702 121.223 0.325 0.000 2.056 380 L HA -0.200 4.146 4.340 0.010 0.000 0.207 380 L C 2.575 179.667 176.870 0.370 0.000 1.078 380 L CA 2.045 57.150 54.840 0.441 0.000 0.749 380 L CB -0.802 41.459 42.059 0.337 0.000 0.901 380 L HN 0.434 nan 8.230 nan 0.000 0.433 381 H N -0.734 118.345 119.070 0.016 0.000 2.387 381 H HA -0.202 4.359 4.556 0.009 0.000 0.299 381 H C 1.666 176.882 175.328 -0.187 0.000 1.090 381 H CA 1.905 57.798 56.048 -0.258 0.000 1.332 381 H CB 0.030 29.265 29.762 -0.878 0.000 1.386 381 H HN 0.262 nan 8.280 nan 0.000 0.516 382 Y N -0.324 120.046 120.300 0.115 0.000 2.466 382 Y HA 0.147 4.704 4.550 0.011 0.000 0.272 382 Y C 0.790 176.716 175.900 0.044 0.000 1.169 382 Y CA 0.207 58.388 58.100 0.134 0.000 1.285 382 Y CB 0.284 38.938 38.460 0.322 0.000 1.078 382 Y HN 0.029 nan 8.280 nan 0.000 0.523 383 T N 1.214 115.764 114.554 -0.008 0.000 2.919 383 T HA -0.029 4.327 4.350 0.010 0.000 0.302 383 T C -0.281 174.038 174.700 -0.635 0.000 1.031 383 T CA -0.259 61.562 62.100 -0.466 0.000 1.127 383 T CB 0.342 68.564 68.868 -1.077 0.000 0.952 383 T HN 0.074 nan 8.240 nan 0.000 0.540 384 D N 1.887 121.868 120.400 -0.698 0.000 2.411 384 D HA 0.117 4.763 4.640 0.010 0.000 0.225 384 D C 0.081 176.063 176.300 -0.529 0.000 1.156 384 D CA -0.749 52.859 54.000 -0.653 0.000 0.874 384 D CB 0.300 40.531 40.800 -0.948 0.000 1.034 384 D HN 0.585 nan 8.370 nan 0.000 0.502 385 W N 3.068 124.270 121.300 -0.162 0.000 2.699 385 W HA 0.057 4.722 4.660 0.008 0.000 0.249 385 W C 1.893 178.314 176.519 -0.163 0.000 1.280 385 W CA -0.108 57.160 57.345 -0.129 0.000 1.345 385 W CB 0.008 29.404 29.460 -0.107 0.000 1.128 385 W HN 0.419 nan 8.180 nan 0.000 0.642 386 L N -1.276 119.891 121.223 -0.092 0.000 2.209 386 L HA -0.037 4.309 4.340 0.010 0.000 0.207 386 L C 0.066 176.576 176.870 -0.599 0.000 1.094 386 L CA 1.034 55.681 54.840 -0.321 0.000 0.790 386 L CB -0.354 41.479 42.059 -0.376 0.000 0.932 386 L HN 0.016 nan 8.230 nan 0.000 0.447 387 H N -1.442 117.548 119.070 -0.133 0.000 2.514 387 H HA 0.158 4.719 4.556 0.009 0.000 0.226 387 H C -1.938 173.274 175.328 -0.194 0.000 1.421 387 H CA -1.171 54.798 56.048 -0.132 0.000 1.394 387 H CB 0.377 30.067 29.762 -0.120 0.000 1.701 387 H HN -0.065 nan 8.280 nan 0.000 0.515 388 P HA -0.053 nan 4.420 nan 0.000 0.241 388 P C 0.605 177.814 177.300 -0.151 0.000 1.191 388 P CA 0.775 63.725 63.100 -0.250 0.000 0.771 388 P CB 0.750 32.266 31.700 -0.307 0.000 0.929 389 E N -0.417 119.740 120.200 -0.072 0.000 2.498 389 E HA 0.048 4.404 4.350 0.010 0.000 0.203 389 E C 0.281 176.857 176.600 -0.041 0.000 1.013 389 E CA 0.013 56.385 56.400 -0.047 0.000 0.927 389 E CB 0.002 29.689 29.700 -0.022 0.000 1.012 389 E HN 0.358 nan 8.360 nan 0.000 0.482 390 D N 2.608 122.988 120.400 -0.033 0.000 2.339 390 D HA 0.018 4.664 4.640 0.010 0.000 0.256 390 D C -1.555 174.716 176.300 -0.049 0.000 1.214 390 D CA -1.671 52.310 54.000 -0.031 0.000 0.877 390 D CB 1.817 42.604 40.800 -0.021 0.000 1.111 390 D HN -0.114 nan 8.370 nan 0.000 0.478 391 P HA -0.070 nan 4.420 nan 0.000 0.222 391 P C 1.289 178.520 177.300 -0.115 0.000 1.153 391 P CA 0.648 63.686 63.100 -0.103 0.000 0.798 391 P CB 0.306 31.939 31.700 -0.113 0.000 0.796 392 T N -0.951 113.553 114.554 -0.083 0.000 2.737 392 T HA -0.167 4.189 4.350 0.010 0.000 0.265 392 T C 1.810 176.479 174.700 -0.051 0.000 1.038 392 T CA 1.653 63.711 62.100 -0.070 0.000 1.144 392 T CB -1.022 67.820 68.868 -0.042 0.000 0.866 392 T HN 0.275 nan 8.240 nan 0.000 0.434 393 H N 0.893 119.900 119.070 -0.105 0.000 2.353 393 H HA 0.094 4.656 4.556 0.009 0.000 0.300 393 H C 2.018 177.251 175.328 -0.159 0.000 1.090 393 H CA 1.237 57.221 56.048 -0.107 0.000 1.327 393 H CB -0.479 29.211 29.762 -0.119 0.000 1.383 393 H HN 0.226 nan 8.280 nan 0.000 0.508 394 L N 0.136 121.220 121.223 -0.232 0.000 2.079 394 L HA -0.186 4.160 4.340 0.010 0.000 0.210 394 L C 2.894 179.642 176.870 -0.205 0.000 1.081 394 L CA 1.508 56.121 54.840 -0.379 0.000 0.752 394 L CB -0.468 41.441 42.059 -0.249 0.000 0.896 394 L HN 0.320 nan 8.230 nan 0.000 0.433 395 R N 0.535 120.964 120.500 -0.118 0.000 2.066 395 R HA -0.168 4.178 4.340 0.010 0.000 0.232 395 R C 1.631 177.979 176.300 0.080 0.000 1.131 395 R CA 2.019 58.131 56.100 0.021 0.000 0.955 395 R CB -0.395 29.815 30.300 -0.150 0.000 0.851 395 R HN 0.326 nan 8.270 nan 0.000 0.432 396 D N 0.609 120.988 120.400 -0.035 0.000 2.218 396 D HA -0.095 4.551 4.640 0.010 0.000 0.204 396 D C 1.691 177.960 176.300 -0.051 0.000 0.976 396 D CA 1.346 55.344 54.000 -0.003 0.000 0.853 396 D CB -0.153 40.627 40.800 -0.032 0.000 0.939 396 D HN 0.384 nan 8.370 nan 0.000 0.481 397 A N 0.625 123.308 122.820 -0.229 0.000 1.872 397 A HA -0.118 4.208 4.320 0.010 0.000 0.214 397 A C 2.128 179.773 177.584 0.101 0.000 1.187 397 A CA 1.333 53.292 52.037 -0.129 0.000 0.614 397 A CB -0.472 18.270 19.000 -0.431 0.000 0.826 397 A HN 0.115 nan 8.150 nan 0.000 0.442 398 M N 0.255 119.996 119.600 0.236 0.000 2.082 398 M HA -0.135 4.351 4.480 0.010 0.000 0.258 398 M C 2.317 178.668 176.300 0.085 0.000 1.069 398 M CA 2.234 57.708 55.300 0.290 0.000 1.102 398 M CB -0.733 32.110 32.600 0.405 0.000 1.336 398 M HN 0.425 nan 8.290 nan 0.000 0.404 399 S N -0.420 115.340 115.700 0.100 0.000 2.353 399 S HA -0.137 4.339 4.470 0.010 0.000 0.222 399 S C 2.048 176.695 174.600 0.079 0.000 1.035 399 S CA 1.799 60.060 58.200 0.101 0.000 1.025 399 S CB -0.693 62.624 63.200 0.195 0.000 0.902 399 S HN 0.642 nan 8.310 nan 0.000 0.440 400 A N 0.548 123.426 122.820 0.096 0.000 1.972 400 A HA 0.026 4.352 4.320 0.010 0.000 0.219 400 A C 2.322 179.927 177.584 0.035 0.000 1.169 400 A CA 1.610 53.730 52.037 0.138 0.000 0.635 400 A CB -0.868 18.307 19.000 0.292 0.000 0.810 400 A HN 0.469 nan 8.150 nan 0.000 0.446 401 V N -0.496 119.319 119.914 -0.166 0.000 2.307 401 V HA -0.222 3.904 4.120 0.010 0.000 0.245 401 V C 2.586 178.584 176.094 -0.160 0.000 1.045 401 V CA 2.020 64.171 62.300 -0.248 0.000 1.024 401 V CB -0.673 31.006 31.823 -0.239 0.000 0.651 401 V HN 0.386 nan 8.190 nan 0.000 0.449 402 V N 0.828 120.674 119.914 -0.113 0.000 2.295 402 V HA -0.178 3.948 4.120 0.010 0.000 0.246 402 V C 2.621 178.588 176.094 -0.212 0.000 1.049 402 V CA 2.268 64.481 62.300 -0.144 0.000 1.024 402 V CB -1.412 30.365 31.823 -0.077 0.000 0.648 402 V HN 0.609 nan 8.190 nan 0.000 0.447 403 G N -0.538 108.203 108.800 -0.098 0.000 2.402 403 G HA2 -0.213 3.753 3.960 0.010 0.000 0.216 403 G HA3 -0.213 3.753 3.960 0.010 0.000 0.216 403 G C 1.236 176.054 174.900 -0.137 0.000 1.162 403 G CA 0.939 45.999 45.100 -0.067 0.000 0.777 403 G HN 0.500 nan 8.290 nan 0.000 0.539 404 D N -0.398 119.922 120.400 -0.132 0.000 2.123 404 D HA -0.053 4.593 4.640 0.010 0.000 0.200 404 D C 2.084 178.053 176.300 -0.551 0.000 0.976 404 D CA 1.027 54.916 54.000 -0.184 0.000 0.831 404 D CB -0.322 40.526 40.800 0.080 0.000 0.974 404 D HN 0.405 nan 8.370 nan 0.000 0.469 405 H N 0.623 119.104 119.070 -0.982 0.000 2.428 405 H HA 0.094 4.655 4.556 0.009 0.000 0.296 405 H C 1.404 176.336 175.328 -0.659 0.000 1.062 405 H CA 1.345 56.661 56.048 -1.220 0.000 1.350 405 H CB 0.158 29.084 29.762 -1.393 0.000 1.403 405 H HN -0.018 nan 8.280 nan 0.000 0.533 406 N N -0.824 117.447 118.700 -0.716 0.000 2.415 406 N HA 0.020 4.766 4.740 0.010 0.000 0.174 406 N C 1.082 176.340 175.510 -0.420 0.000 1.048 406 N CA 1.013 53.571 53.050 -0.820 0.000 0.895 406 N CB 1.193 38.663 38.487 -1.695 0.000 1.036 406 N HN 0.251 nan 8.380 nan 0.000 0.449 407 V N -0.352 119.386 119.914 -0.294 0.000 3.449 407 V HA 0.058 4.184 4.120 0.010 0.000 0.208 407 V C 2.172 178.222 176.094 -0.073 0.000 1.269 407 V CA 0.183 62.443 62.300 -0.068 0.000 1.301 407 V CB -0.162 31.695 31.823 0.056 0.000 1.306 407 V HN -0.186 nan 8.190 nan 0.000 0.531 408 V N 0.217 120.089 119.914 -0.071 0.000 2.287 408 V HA -0.309 3.817 4.120 0.010 0.000 0.248 408 V C 2.484 178.539 176.094 -0.065 0.000 1.053 408 V CA 2.662 64.933 62.300 -0.047 0.000 1.027 408 V CB -0.801 31.023 31.823 0.002 0.000 0.646 408 V HN 0.683 nan 8.190 nan 0.000 0.447 409 c N -0.583 117.968 118.600 -0.082 0.000 2.475 409 c HA 0.037 4.613 4.570 0.010 0.000 0.279 409 c C 0.532 174.583 174.090 -0.064 0.000 1.322 409 c CA 0.724 57.034 56.329 -0.032 0.000 1.734 409 c CB -1.761 40.771 42.510 0.037 0.000 2.005 409 c HN 0.464 nan 8.230 nan 0.000 0.495 410 P HA -0.072 nan 4.420 nan 0.000 0.216 410 P C 1.767 178.999 177.300 -0.114 0.000 1.150 410 P CA 1.360 64.380 63.100 -0.133 0.000 0.837 410 P CB -0.184 31.400 31.700 -0.192 0.000 0.786 411 V N 0.277 120.127 119.914 -0.106 0.000 2.295 411 V HA -0.272 3.854 4.120 0.010 0.000 0.246 411 V C 2.500 178.497 176.094 -0.160 0.000 1.049 411 V CA 2.304 64.529 62.300 -0.125 0.000 1.024 411 V CB -1.730 30.020 31.823 -0.122 0.000 0.648 411 V HN 0.102 nan 8.190 nan 0.000 0.447 412 A N -1.024 121.714 122.820 -0.137 0.000 1.883 412 A HA -0.343 3.983 4.320 0.010 0.000 0.217 412 A C 2.248 179.787 177.584 -0.074 0.000 1.186 412 A CA 2.338 54.297 52.037 -0.129 0.000 0.624 412 A CB -0.644 18.328 19.000 -0.047 0.000 0.822 412 A HN 0.593 nan 8.150 nan 0.000 0.444 413 Q N -1.140 118.635 119.800 -0.042 0.000 2.061 413 Q HA -0.204 4.142 4.340 0.010 0.000 0.204 413 Q C 2.064 178.036 176.000 -0.046 0.000 0.984 413 Q CA 1.746 57.537 55.803 -0.020 0.000 0.846 413 Q CB -0.247 28.479 28.738 -0.019 0.000 0.902 413 Q HN 0.579 nan 8.270 nan 0.000 0.421 414 L N 0.462 121.630 121.223 -0.090 0.000 1.989 414 L HA -0.164 4.182 4.340 0.010 0.000 0.211 414 L C 2.238 179.034 176.870 -0.124 0.000 1.071 414 L CA 2.321 57.092 54.840 -0.115 0.000 0.749 414 L CB -0.862 41.116 42.059 -0.134 0.000 0.890 414 L HN 0.226 nan 8.230 nan 0.000 0.431 415 A N -0.632 122.082 122.820 -0.176 0.000 1.908 415 A HA -0.146 4.180 4.320 0.010 0.000 0.218 415 A C 2.322 179.914 177.584 0.013 0.000 1.181 415 A CA 1.811 53.712 52.037 -0.227 0.000 0.627 415 A CB -1.648 16.960 19.000 -0.653 0.000 0.818 415 A HN 0.573 nan 8.150 nan 0.000 0.445 416 G N -0.738 108.114 108.800 0.087 0.000 2.404 416 G HA2 -0.191 3.775 3.960 0.010 0.000 0.215 416 G HA3 -0.191 3.775 3.960 0.010 0.000 0.215 416 G C 1.689 176.659 174.900 0.117 0.000 1.174 416 G CA 0.762 45.989 45.100 0.211 0.000 0.780 416 G HN 0.418 nan 8.290 nan 0.000 0.537 417 R N 0.280 120.812 120.500 0.054 0.000 2.066 417 R HA 0.113 4.459 4.340 0.010 0.000 0.232 417 R C 2.686 179.020 176.300 0.056 0.000 1.131 417 R CA 0.541 56.673 56.100 0.054 0.000 0.955 417 R CB -1.221 29.101 30.300 0.037 0.000 0.851 417 R HN 0.395 nan 8.270 nan 0.000 0.432 418 L N 0.500 121.704 121.223 -0.033 0.000 1.989 418 L HA -0.158 4.188 4.340 0.010 0.000 0.211 418 L C 2.705 179.610 176.870 0.058 0.000 1.071 418 L CA 1.622 56.415 54.840 -0.078 0.000 0.749 418 L CB -0.826 41.100 42.059 -0.222 0.000 0.890 418 L HN 0.152 nan 8.230 nan 0.000 0.431 419 A N 0.057 122.926 122.820 0.082 0.000 1.908 419 A HA -0.217 4.109 4.320 0.010 0.000 0.218 419 A C 2.486 180.120 177.584 0.082 0.000 1.181 419 A CA 1.924 54.021 52.037 0.099 0.000 0.627 419 A CB -0.798 18.300 19.000 0.163 0.000 0.818 419 A HN 0.438 nan 8.150 nan 0.000 0.445 420 A N -1.437 121.437 122.820 0.089 0.000 2.067 420 A HA -0.079 4.247 4.320 0.010 0.000 0.219 420 A C 1.701 179.337 177.584 0.088 0.000 1.158 420 A CA 1.454 53.536 52.037 0.075 0.000 0.661 420 A CB -0.230 18.814 19.000 0.074 0.000 0.801 420 A HN 0.632 nan 8.150 nan 0.000 0.452 421 Q N -1.950 117.928 119.800 0.131 0.000 2.182 421 Q HA 0.413 4.759 4.340 0.010 0.000 0.305 421 Q C 0.734 176.842 176.000 0.180 0.000 0.880 421 Q CA 0.280 56.178 55.803 0.158 0.000 1.131 421 Q CB 0.728 29.603 28.738 0.229 0.000 1.237 421 Q HN 0.699 nan 8.270 nan 0.000 0.447 422 G N 0.190 109.069 108.800 0.131 0.000 2.339 422 G HA2 -0.242 3.724 3.960 0.010 0.000 0.209 422 G HA3 -0.242 3.724 3.960 0.010 0.000 0.209 422 G C 0.372 175.341 174.900 0.115 0.000 1.015 422 G CA -0.343 44.825 45.100 0.113 0.000 0.635 422 G HN 0.535 nan 8.290 nan 0.000 0.499 423 A N 0.616 123.522 122.820 0.144 0.000 2.445 423 A HA 0.657 4.983 4.320 0.010 0.000 0.242 423 A C 0.634 178.256 177.584 0.065 0.000 1.075 423 A CA 0.725 52.830 52.037 0.114 0.000 0.777 423 A CB 0.221 19.272 19.000 0.085 0.000 1.013 423 A HN 0.725 nan 8.150 nan 0.000 0.493 424 R N 1.318 121.857 120.500 0.065 0.000 2.234 424 R HA 0.484 4.830 4.340 0.010 0.000 0.324 424 R C -1.353 174.949 176.300 0.004 0.000 1.054 424 R CA -0.041 56.065 56.100 0.009 0.000 0.912 424 R CB 0.447 30.786 30.300 0.065 0.000 1.030 424 R HN 0.481 nan 8.270 nan 0.000 0.455 425 V N 5.666 125.509 119.914 -0.119 0.000 2.531 425 V HA 0.380 4.506 4.120 0.010 0.000 0.301 425 V C -1.157 174.798 176.094 -0.232 0.000 1.034 425 V CA -0.851 61.409 62.300 -0.067 0.000 0.865 425 V CB 1.512 33.355 31.823 0.033 0.000 0.995 425 V HN 0.656 nan 8.190 nan 0.000 0.424 426 Y N 2.105 122.365 120.300 -0.066 0.000 2.468 426 Y HA 0.839 5.395 4.550 0.009 0.000 0.342 426 Y C 0.355 176.340 175.900 0.141 0.000 1.021 426 Y CA -0.595 57.469 58.100 -0.059 0.000 1.079 426 Y CB 2.286 40.342 38.460 -0.673 0.000 1.226 426 Y HN 0.781 nan 8.280 nan 0.000 0.460 427 A N 2.591 125.806 122.820 0.659 0.000 2.449 427 A HA 0.820 5.145 4.320 0.010 0.000 0.302 427 A C -1.992 175.966 177.584 0.623 0.000 1.048 427 A CA -0.716 51.571 52.037 0.416 0.000 0.708 427 A CB 1.018 20.080 19.000 0.105 0.000 1.274 427 A HN 0.746 nan 8.150 nan 0.000 0.410 428 Y N -0.244 120.290 120.300 0.389 0.000 2.588 428 Y HA 0.809 5.364 4.550 0.008 0.000 0.343 428 Y C -1.131 174.951 175.900 0.305 0.000 1.065 428 Y CA -1.607 56.677 58.100 0.306 0.000 1.038 428 Y CB 1.392 40.025 38.460 0.289 0.000 1.297 428 Y HN 0.705 nan 8.280 nan 0.000 0.467 429 I N 3.689 124.562 120.570 0.505 0.000 2.436 429 I HA 0.457 4.633 4.170 0.010 0.000 0.289 429 I C -1.820 174.619 176.117 0.538 0.000 1.010 429 I CA -1.034 60.532 61.300 0.442 0.000 1.098 429 I CB 1.064 39.272 38.000 0.346 0.000 1.266 429 I HN 0.753 nan 8.210 nan 0.000 0.434 430 F N 7.397 127.627 119.950 0.467 0.000 2.405 430 F HA 0.406 4.939 4.527 0.011 0.000 0.355 430 F C 0.524 176.480 175.800 0.260 0.000 1.121 430 F CA 0.017 58.239 58.000 0.370 0.000 1.112 430 F CB 0.978 40.218 39.000 0.401 0.000 1.126 430 F HN 0.541 nan 8.300 nan 0.000 0.481 431 E N 3.035 123.096 120.200 -0.232 0.000 2.630 431 E HA -0.020 4.336 4.350 0.010 0.000 0.218 431 E C -0.795 175.697 176.600 -0.181 0.000 0.977 431 E CA -0.143 56.203 56.400 -0.090 0.000 1.038 431 E CB 0.318 29.989 29.700 -0.050 0.000 1.051 431 E HN 0.531 nan 8.360 nan 0.000 0.487 432 H N 1.411 120.133 119.070 -0.581 0.000 2.552 432 H HA 0.244 4.805 4.556 0.009 0.000 0.311 432 H C -0.429 174.887 175.328 -0.021 0.000 1.071 432 H CA -0.487 55.320 56.048 -0.402 0.000 1.307 432 H CB 0.549 29.884 29.762 -0.711 0.000 1.416 432 H HN -0.164 nan 8.280 nan 0.000 0.464 433 R N 4.089 124.249 120.500 -0.568 0.000 2.248 433 R HA 0.423 4.769 4.340 0.010 0.000 0.328 433 R C -0.486 175.545 176.300 -0.447 0.000 1.067 433 R CA -0.486 55.432 56.100 -0.302 0.000 0.924 433 R CB 0.213 30.406 30.300 -0.178 0.000 1.013 433 R HN 0.825 nan 8.270 nan 0.000 0.454 434 A N 3.270 126.164 122.820 0.124 0.000 2.566 434 A HA -0.027 4.298 4.320 0.010 0.000 0.245 434 A C 1.365 179.057 177.584 0.180 0.000 1.056 434 A CA 0.624 52.934 52.037 0.456 0.000 0.757 434 A CB 0.227 19.587 19.000 0.599 0.000 0.979 434 A HN 1.018 nan 8.150 nan 0.000 0.508 435 S N 1.630 117.475 115.700 0.240 0.000 2.465 435 S HA -0.152 4.324 4.470 0.010 0.000 0.241 435 S C 1.233 175.819 174.600 -0.022 0.000 1.000 435 S CA 1.599 59.855 58.200 0.093 0.000 0.964 435 S CB -0.735 62.544 63.200 0.131 0.000 0.763 435 S HN 1.270 nan 8.310 nan 0.000 0.512 436 T N -1.180 113.321 114.554 -0.090 0.000 3.105 436 T HA 0.405 4.761 4.350 0.010 0.000 0.253 436 T C 0.219 174.832 174.700 -0.146 0.000 1.047 436 T CA -0.623 61.349 62.100 -0.213 0.000 0.944 436 T CB -0.312 68.258 68.868 -0.496 0.000 1.016 436 T HN 0.213 nan 8.240 nan 0.000 0.544 437 L N 4.055 125.237 121.223 -0.069 0.000 2.455 437 L HA 0.315 4.661 4.340 0.010 0.000 0.272 437 L C 1.540 178.345 176.870 -0.107 0.000 1.174 437 L CA 0.653 55.445 54.840 -0.079 0.000 0.869 437 L CB 0.968 42.993 42.059 -0.056 0.000 1.130 437 L HN 0.433 nan 8.230 nan 0.000 0.474 438 T N -0.609 113.835 114.554 -0.184 0.000 3.060 438 T HA 0.094 4.450 4.350 0.010 0.000 0.249 438 T C 0.399 175.039 174.700 -0.100 0.000 1.079 438 T CA -0.449 61.537 62.100 -0.189 0.000 1.013 438 T CB -0.310 68.341 68.868 -0.361 0.000 0.975 438 T HN 0.382 nan 8.240 nan 0.000 0.518 439 W N 3.411 124.696 121.300 -0.025 0.000 2.126 439 W HA 0.411 5.077 4.660 0.011 0.000 0.346 439 W C -1.987 174.431 176.519 -0.170 0.000 1.279 439 W CA -2.089 55.218 57.345 -0.064 0.000 1.259 439 W CB 0.074 29.416 29.460 -0.196 0.000 1.133 439 W HN -0.009 nan 8.180 nan 0.000 0.592 440 P HA 0.030 nan 4.420 nan 0.000 0.272 440 P C 0.554 177.771 177.300 -0.140 0.000 1.240 440 P CA -0.070 62.981 63.100 -0.083 0.000 0.791 440 P CB 0.810 32.455 31.700 -0.091 0.000 0.978 441 L N 0.272 121.478 121.223 -0.028 0.000 2.081 441 L HA -0.159 4.187 4.340 0.010 0.000 0.212 441 L C 2.570 179.469 176.870 0.048 0.000 1.080 441 L CA 1.561 56.408 54.840 0.012 0.000 0.754 441 L CB -0.867 41.230 42.059 0.063 0.000 0.893 441 L HN 0.613 nan 8.230 nan 0.000 0.433 442 W N -0.724 120.615 121.300 0.066 0.000 2.392 442 W HA -0.205 4.460 4.660 0.009 0.000 0.279 442 W C 1.814 178.382 176.519 0.080 0.000 1.225 442 W CA 0.622 58.009 57.345 0.069 0.000 1.233 442 W CB -0.854 28.650 29.460 0.073 0.000 1.122 442 W HN 0.173 nan 8.180 nan 0.000 0.561 443 M N 1.458 120.745 119.600 -0.522 0.000 2.549 443 M HA 0.069 4.555 4.480 0.010 0.000 0.260 443 M C 1.833 178.048 176.300 -0.142 0.000 1.076 443 M CA 1.791 56.788 55.300 -0.506 0.000 1.090 443 M CB -0.686 31.445 32.600 -0.782 0.000 1.418 443 M HN 0.257 nan 8.290 nan 0.000 0.486 444 G N 0.226 108.995 108.800 -0.052 0.000 2.591 444 G HA2 -0.296 3.670 3.960 0.010 0.000 0.298 444 G HA3 -0.296 3.670 3.960 0.010 0.000 0.298 444 G C -0.134 174.775 174.900 0.015 0.000 1.195 444 G CA -0.093 45.019 45.100 0.020 0.000 0.989 444 G HN 0.229 nan 8.290 nan 0.000 0.551 445 V N 3.638 123.602 119.914 0.084 0.000 2.259 445 V HA 0.464 4.590 4.120 0.010 0.000 0.267 445 V C -1.832 174.381 176.094 0.197 0.000 1.051 445 V CA -0.805 61.592 62.300 0.162 0.000 0.830 445 V CB 1.104 33.084 31.823 0.261 0.000 1.080 445 V HN 0.512 nan 8.190 nan 0.000 0.467 446 P HA 0.177 nan 4.420 nan 0.000 0.274 446 P C -0.194 177.311 177.300 0.341 0.000 1.246 446 P CA -0.512 62.675 63.100 0.145 0.000 0.795 446 P CB 0.391 32.021 31.700 -0.118 0.000 1.006 447 H N 0.528 119.673 119.070 0.125 0.000 3.157 447 H HA 0.234 4.795 4.556 0.009 0.000 0.299 447 H C 1.584 176.898 175.328 -0.023 0.000 0.961 447 H CA 2.356 58.453 56.048 0.081 0.000 1.428 447 H CB -0.799 28.974 29.762 0.019 0.000 1.459 447 H HN 0.732 nan 8.280 nan 0.000 0.566 448 G N 3.605 112.248 108.800 -0.262 0.000 2.194 448 G HA2 -0.308 3.658 3.960 0.010 0.000 0.236 448 G HA3 -0.308 3.658 3.960 0.010 0.000 0.236 448 G C 0.542 175.373 174.900 -0.115 0.000 0.987 448 G CA 0.347 45.270 45.100 -0.294 0.000 0.635 448 G HN 0.645 nan 8.290 nan 0.000 0.520 449 Y N 1.345 121.755 120.300 0.184 0.000 2.532 449 Y HA 0.274 4.830 4.550 0.009 0.000 0.283 449 Y C 2.199 178.205 175.900 0.177 0.000 1.181 449 Y CA 0.770 59.022 58.100 0.252 0.000 1.256 449 Y CB 0.486 39.123 38.460 0.294 0.000 1.112 449 Y HN 0.484 nan 8.280 nan 0.000 0.521 450 E N -0.050 120.115 120.200 -0.059 0.000 2.415 450 E HA -0.027 4.329 4.350 0.010 0.000 0.197 450 E C 1.555 178.059 176.600 -0.160 0.000 1.007 450 E CA 0.496 56.550 56.400 -0.576 0.000 0.890 450 E CB -0.351 28.554 29.700 -1.324 0.000 0.891 450 E HN 0.530 nan 8.360 nan 0.000 0.496 451 I N 3.017 123.582 120.570 -0.007 0.000 2.118 451 I HA -0.323 3.853 4.170 0.010 0.000 0.241 451 I C 2.747 178.863 176.117 -0.001 0.000 1.070 451 I CA 2.284 63.617 61.300 0.055 0.000 1.327 451 I CB -0.648 37.442 38.000 0.151 0.000 1.034 451 I HN 0.213 nan 8.210 nan 0.000 0.405 452 E N 1.136 121.285 120.200 -0.085 0.000 2.267 452 E HA -0.241 4.115 4.350 0.010 0.000 0.197 452 E C 1.976 178.344 176.600 -0.386 0.000 0.998 452 E CA 1.543 57.790 56.400 -0.255 0.000 0.830 452 E CB -0.456 29.080 29.700 -0.275 0.000 0.751 452 E HN 0.482 nan 8.360 nan 0.000 0.491 453 F N 1.081 120.928 119.950 -0.172 0.000 2.219 453 F HA 0.018 4.553 4.527 0.013 0.000 0.294 453 F C 2.338 177.922 175.800 -0.360 0.000 1.086 453 F CA 0.375 58.219 58.000 -0.261 0.000 1.330 453 F CB -0.076 38.838 39.000 -0.143 0.000 1.047 453 F HN -0.039 nan 8.300 nan 0.000 0.495 454 I N -0.709 119.730 120.570 -0.219 0.000 2.264 454 I HA -0.287 3.889 4.170 0.010 0.000 0.248 454 I C 1.966 177.883 176.117 -0.333 0.000 1.111 454 I CA 1.703 62.717 61.300 -0.478 0.000 1.382 454 I CB -1.448 36.177 38.000 -0.626 0.000 1.060 454 I HN 0.084 nan 8.210 nan 0.000 0.418 455 F N 0.919 120.689 119.950 -0.301 0.000 2.811 455 F HA 0.243 4.776 4.527 0.010 0.000 0.301 455 F C 1.852 177.505 175.800 -0.246 0.000 1.151 455 F CA 0.713 58.578 58.000 -0.226 0.000 1.412 455 F CB -0.300 38.556 39.000 -0.240 0.000 1.113 455 F HN 0.289 nan 8.300 nan 0.000 0.579 456 G N 0.098 108.753 108.800 -0.242 0.000 2.147 456 G HA2 -0.320 3.646 3.960 0.010 0.000 0.244 456 G HA3 -0.320 3.646 3.960 0.010 0.000 0.244 456 G C 1.059 175.380 174.900 -0.965 0.000 1.005 456 G CA 0.368 45.200 45.100 -0.447 0.000 0.713 456 G HN 0.324 nan 8.290 nan 0.000 0.515 457 L N 0.459 121.137 121.223 -0.907 0.000 2.043 457 L HA -0.008 4.338 4.340 0.010 0.000 0.212 457 L C 0.398 176.720 176.870 -0.914 0.000 1.075 457 L CA 2.881 57.119 54.840 -1.003 0.000 0.752 457 L CB -0.889 40.828 42.059 -0.571 0.000 0.891 457 L HN 0.235 nan 8.230 nan 0.000 0.432 458 P HA -0.113 nan 4.420 nan 0.000 0.228 458 P C 1.443 178.486 177.300 -0.428 0.000 1.151 458 P CA 0.790 63.282 63.100 -1.012 0.000 0.770 458 P CB 0.070 31.107 31.700 -1.105 0.000 0.786 459 L N -1.306 119.640 121.223 -0.461 0.000 2.478 459 L HA 0.005 4.351 4.340 0.010 0.000 0.223 459 L C 0.939 177.742 176.870 -0.112 0.000 1.140 459 L CA 1.024 55.722 54.840 -0.236 0.000 0.842 459 L CB -0.952 40.995 42.059 -0.185 0.000 0.953 459 L HN -0.060 nan 8.230 nan 0.000 0.452 460 D N -0.012 120.291 120.400 -0.162 0.000 2.336 460 D HA 0.080 4.726 4.640 0.010 0.000 0.249 460 D C -1.594 174.726 176.300 0.033 0.000 1.213 460 D CA -1.912 52.106 54.000 0.030 0.000 0.870 460 D CB 1.635 42.480 40.800 0.075 0.000 1.076 460 D HN -0.034 nan 8.370 nan 0.000 0.483 461 P HA -0.133 nan 4.420 nan 0.000 0.218 461 P C 1.293 178.611 177.300 0.030 0.000 1.149 461 P CA 0.914 64.035 63.100 0.035 0.000 0.817 461 P CB 0.055 31.772 31.700 0.029 0.000 0.785 462 S N -0.991 114.726 115.700 0.028 0.000 2.507 462 S HA -0.055 4.421 4.470 0.010 0.000 0.235 462 S C 1.700 176.299 174.600 -0.003 0.000 0.988 462 S CA 0.722 58.928 58.200 0.010 0.000 0.944 462 S CB -1.422 61.785 63.200 0.010 0.000 0.762 462 S HN 0.109 nan 8.310 nan 0.000 0.526 463 L N 0.554 121.789 121.223 0.020 0.000 2.509 463 L HA 0.183 4.529 4.340 0.010 0.000 0.222 463 L C 0.384 177.200 176.870 -0.089 0.000 1.123 463 L CA 0.052 54.890 54.840 -0.004 0.000 0.856 463 L CB -0.632 41.488 42.059 0.102 0.000 0.985 463 L HN 0.262 nan 8.230 nan 0.000 0.456 464 N N -1.636 117.048 118.700 -0.028 0.000 2.818 464 N HA -0.214 4.532 4.740 0.010 0.000 0.250 464 N C -0.376 175.079 175.510 -0.092 0.000 1.108 464 N CA 0.750 53.760 53.050 -0.066 0.000 0.745 464 N CB -1.703 36.715 38.487 -0.115 0.000 1.104 464 N HN 0.288 nan 8.380 nan 0.000 0.557 465 Y N 1.124 121.406 120.300 -0.030 0.000 2.330 465 Y HA 0.165 4.721 4.550 0.010 0.000 0.341 465 Y C 1.975 177.894 175.900 0.032 0.000 1.278 465 Y CA 0.367 58.474 58.100 0.010 0.000 1.453 465 Y CB 0.405 38.858 38.460 -0.011 0.000 1.342 465 Y HN 0.069 nan 8.280 nan 0.000 0.590 466 T N -2.903 111.799 114.554 0.247 0.000 2.868 466 T HA 0.059 4.415 4.350 0.010 0.000 0.292 466 T C 1.123 175.902 174.700 0.131 0.000 1.028 466 T CA -0.362 61.828 62.100 0.150 0.000 1.059 466 T CB 1.027 69.975 68.868 0.132 0.000 0.991 466 T HN 0.721 nan 8.240 nan 0.000 0.531 467 T N 1.416 116.019 114.554 0.081 0.000 2.665 467 T HA -0.144 4.212 4.350 0.010 0.000 0.268 467 T C 2.013 176.748 174.700 0.059 0.000 1.035 467 T CA 1.870 64.005 62.100 0.058 0.000 1.151 467 T CB -0.390 68.501 68.868 0.038 0.000 0.862 467 T HN 0.863 nan 8.240 nan 0.000 0.438 468 E N 1.590 121.821 120.200 0.051 0.000 2.110 468 E HA -0.185 4.171 4.350 0.010 0.000 0.193 468 E C 1.919 178.559 176.600 0.066 0.000 0.988 468 E CA 1.154 57.572 56.400 0.029 0.000 0.804 468 E CB -0.511 29.178 29.700 -0.018 0.000 0.745 468 E HN 0.594 nan 8.360 nan 0.000 0.458 469 E N 0.775 121.052 120.200 0.128 0.000 2.110 469 E HA -0.148 4.208 4.350 0.010 0.000 0.193 469 E C 2.289 179.024 176.600 0.225 0.000 0.988 469 E CA 0.803 57.370 56.400 0.279 0.000 0.804 469 E CB -0.094 29.878 29.700 0.453 0.000 0.745 469 E HN 0.169 nan 8.360 nan 0.000 0.458 470 R N 0.776 121.337 120.500 0.101 0.000 2.073 470 R HA -0.144 4.202 4.340 0.010 0.000 0.234 470 R C 2.276 178.587 176.300 0.018 0.000 1.134 470 R CA 1.232 57.336 56.100 0.007 0.000 0.952 470 R CB -0.243 30.057 30.300 0.000 0.000 0.850 470 R HN 0.143 nan 8.270 nan 0.000 0.433 471 I N 0.447 121.048 120.570 0.051 0.000 2.286 471 I HA -0.284 3.892 4.170 0.010 0.000 0.248 471 I C 2.190 178.357 176.117 0.082 0.000 1.115 471 I CA 1.024 62.350 61.300 0.044 0.000 1.392 471 I CB -0.314 37.712 38.000 0.042 0.000 1.065 471 I HN 0.188 nan 8.210 nan 0.000 0.418 472 F N 1.780 121.700 119.950 -0.050 0.000 2.102 472 F HA -0.204 4.328 4.527 0.009 0.000 0.298 472 F C 2.436 178.228 175.800 -0.014 0.000 1.105 472 F CA 1.321 59.282 58.000 -0.065 0.000 1.239 472 F CB -0.697 38.216 39.000 -0.145 0.000 0.991 472 F HN 0.022 nan 8.300 nan 0.000 0.474 473 A N 0.002 122.762 122.820 -0.100 0.000 1.933 473 A HA -0.220 4.106 4.320 0.010 0.000 0.218 473 A C 2.157 179.607 177.584 -0.224 0.000 1.175 473 A CA 1.730 53.642 52.037 -0.208 0.000 0.628 473 A CB -0.817 18.082 19.000 -0.168 0.000 0.814 473 A HN 0.617 nan 8.150 nan 0.000 0.444 474 Q N -0.759 118.951 119.800 -0.149 0.000 2.050 474 Q HA -0.177 4.169 4.340 0.010 0.000 0.202 474 Q C 2.385 178.274 176.000 -0.185 0.000 0.980 474 Q CA 1.506 57.229 55.803 -0.133 0.000 0.840 474 Q CB -0.202 28.488 28.738 -0.080 0.000 0.898 474 Q HN 0.623 nan 8.270 nan 0.000 0.424 475 R N 0.368 120.742 120.500 -0.209 0.000 2.094 475 R HA -0.155 4.191 4.340 0.010 0.000 0.239 475 R C 2.359 178.345 176.300 -0.523 0.000 1.137 475 R CA 1.380 57.255 56.100 -0.374 0.000 0.943 475 R CB -0.373 29.789 30.300 -0.230 0.000 0.850 475 R HN 0.260 nan 8.270 nan 0.000 0.433 476 L N -0.031 120.986 121.223 -0.344 0.000 2.046 476 L HA -0.196 4.150 4.340 0.010 0.000 0.208 476 L C 2.538 179.351 176.870 -0.094 0.000 1.077 476 L CA 1.393 56.130 54.840 -0.171 0.000 0.747 476 L CB -0.359 41.452 42.059 -0.414 0.000 0.896 476 L HN 0.317 nan 8.230 nan 0.000 0.432 477 M N -0.487 119.003 119.600 -0.182 0.000 2.159 477 M HA -0.227 4.259 4.480 0.010 0.000 0.263 477 M C 2.283 178.575 176.300 -0.014 0.000 1.063 477 M CA 1.621 56.853 55.300 -0.114 0.000 1.110 477 M CB -0.261 32.261 32.600 -0.131 0.000 1.374 477 M HN 0.005 nan 8.290 nan 0.000 0.411 478 K N -0.041 120.311 120.400 -0.080 0.000 2.026 478 K HA -0.152 4.174 4.320 0.010 0.000 0.208 478 K C 1.593 178.233 176.600 0.065 0.000 1.048 478 K CA 1.728 57.978 56.287 -0.062 0.000 0.929 478 K CB -0.285 32.118 32.500 -0.162 0.000 0.713 478 K HN 0.222 nan 8.250 nan 0.000 0.439 479 Y N -0.808 119.618 120.300 0.210 0.000 2.145 479 Y HA -0.226 4.332 4.550 0.013 0.000 0.286 479 Y C 2.304 178.356 175.900 0.254 0.000 1.145 479 Y CA 1.120 59.383 58.100 0.271 0.000 1.148 479 Y CB -0.828 37.927 38.460 0.492 0.000 0.981 479 Y HN 0.204 nan 8.280 nan 0.000 0.507 480 W N 0.690 122.066 121.300 0.127 0.000 2.355 480 W HA -0.235 4.430 4.660 0.008 0.000 0.309 480 W C 2.506 179.024 176.519 -0.001 0.000 1.206 480 W CA 2.177 59.537 57.345 0.024 0.000 1.284 480 W CB -0.609 28.792 29.460 -0.099 0.000 1.145 480 W HN 0.234 nan 8.180 nan 0.000 0.502 481 T N -2.095 112.566 114.554 0.178 0.000 2.904 481 T HA -0.143 4.213 4.350 0.010 0.000 0.267 481 T C 1.402 176.124 174.700 0.037 0.000 1.059 481 T CA 1.204 63.337 62.100 0.054 0.000 1.137 481 T CB -0.593 68.284 68.868 0.015 0.000 0.879 481 T HN -0.076 nan 8.240 nan 0.000 0.467 482 N N 0.960 119.702 118.700 0.070 0.000 2.120 482 N HA -0.008 4.738 4.740 0.010 0.000 0.188 482 N C 1.339 176.843 175.510 -0.009 0.000 1.024 482 N CA 0.997 54.068 53.050 0.035 0.000 0.852 482 N CB -0.680 37.851 38.487 0.072 0.000 1.003 482 N HN 0.490 nan 8.380 nan 0.000 0.424 483 F N 1.589 121.454 119.950 -0.142 0.000 2.102 483 F HA -0.057 4.476 4.527 0.010 0.000 0.298 483 F C 2.161 177.874 175.800 -0.144 0.000 1.105 483 F CA 1.322 59.187 58.000 -0.226 0.000 1.239 483 F CB -0.509 38.267 39.000 -0.373 0.000 0.991 483 F HN 0.033 nan 8.300 nan 0.000 0.474 484 A N 0.554 123.277 122.820 -0.162 0.000 1.940 484 A HA -0.203 4.122 4.320 0.010 0.000 0.219 484 A C 2.370 179.832 177.584 -0.204 0.000 1.176 484 A CA 1.873 53.793 52.037 -0.194 0.000 0.631 484 A CB -0.700 18.254 19.000 -0.077 0.000 0.814 484 A HN 0.476 nan 8.150 nan 0.000 0.446 485 R N -1.423 118.989 120.500 -0.147 0.000 2.093 485 R HA -0.042 4.304 4.340 0.010 0.000 0.224 485 R C 1.862 178.075 176.300 -0.145 0.000 1.101 485 R CA 1.722 57.754 56.100 -0.114 0.000 0.979 485 R CB -0.103 30.159 30.300 -0.063 0.000 0.877 485 R HN 0.726 nan 8.270 nan 0.000 0.441 486 T N -5.462 108.982 114.554 -0.183 0.000 3.041 486 T HA 0.224 4.580 4.350 0.010 0.000 0.276 486 T C 1.119 175.699 174.700 -0.201 0.000 0.948 486 T CA 0.385 62.395 62.100 -0.149 0.000 0.885 486 T CB 1.339 70.156 68.868 -0.085 0.000 1.175 486 T HN 0.299 nan 8.240 nan 0.000 0.529 487 G N 1.447 110.004 108.800 -0.405 0.000 2.148 487 G HA2 -0.172 3.794 3.960 0.010 0.000 0.254 487 G HA3 -0.172 3.794 3.960 0.010 0.000 0.254 487 G C -0.336 174.480 174.900 -0.140 0.000 0.981 487 G CA 0.266 45.063 45.100 -0.506 0.000 0.670 487 G HN 0.881 nan 8.290 nan 0.000 0.528 488 D N -0.978 119.344 120.400 -0.131 0.000 2.763 488 D HA 0.460 5.106 4.640 0.010 0.000 0.235 488 D C -1.367 174.786 176.300 -0.246 0.000 1.334 488 D CA -1.612 52.267 54.000 -0.202 0.000 0.950 488 D CB 1.878 42.651 40.800 -0.044 0.000 1.433 488 D HN -0.026 nan 8.370 nan 0.000 0.580 489 P HA -0.022 nan 4.420 nan 0.000 0.233 489 P C -0.100 177.228 177.300 0.046 0.000 1.167 489 P CA 0.127 63.074 63.100 -0.255 0.000 0.770 489 P CB 0.301 31.582 31.700 -0.700 0.000 0.837 490 N N 1.550 120.245 118.700 -0.008 0.000 2.530 490 N HA 0.015 4.760 4.740 0.010 0.000 0.273 490 N C 0.079 175.662 175.510 0.122 0.000 1.173 490 N CA 0.229 53.365 53.050 0.145 0.000 0.967 490 N CB 0.717 39.280 38.487 0.128 0.000 1.109 490 N HN 0.072 nan 8.380 nan 0.000 0.453 491 D N 2.025 122.514 120.400 0.149 0.000 2.358 491 D HA 0.065 4.711 4.640 0.010 0.000 0.258 491 D C -1.405 174.939 176.300 0.075 0.000 1.223 491 D CA -1.391 52.665 54.000 0.094 0.000 0.886 491 D CB 1.367 42.218 40.800 0.086 0.000 1.120 491 D HN 0.277 nan 8.370 nan 0.000 0.482 492 P HA -0.083 nan 4.420 nan 0.000 0.216 492 P C 1.107 178.433 177.300 0.044 0.000 1.153 492 P CA 1.059 64.186 63.100 0.045 0.000 0.848 492 P CB 0.360 32.078 31.700 0.030 0.000 0.787 493 R N -0.698 119.825 120.500 0.039 0.000 2.073 493 R HA 0.010 4.356 4.340 0.010 0.000 0.229 493 R C 1.144 177.468 176.300 0.040 0.000 1.120 493 R CA 0.476 56.596 56.100 0.035 0.000 0.967 493 R CB -0.940 29.377 30.300 0.028 0.000 0.862 493 R HN 0.216 nan 8.270 nan 0.000 0.436 494 D N 0.024 120.453 120.400 0.048 0.000 2.493 494 D HA -0.009 4.637 4.640 0.010 0.000 0.240 494 D C 0.492 176.828 176.300 0.060 0.000 1.142 494 D CA 0.747 54.780 54.000 0.054 0.000 0.872 494 D CB 1.317 42.157 40.800 0.066 0.000 1.173 494 D HN 0.328 nan 8.370 nan 0.000 0.467 495 S N 3.012 118.744 115.700 0.053 0.000 2.641 495 S HA 0.093 4.569 4.470 0.010 0.000 0.239 495 S C 1.914 176.547 174.600 0.055 0.000 1.081 495 S CA 0.692 58.923 58.200 0.052 0.000 0.904 495 S CB -0.227 62.998 63.200 0.041 0.000 0.803 495 S HN 0.496 nan 8.310 nan 0.000 0.510 496 K N 1.272 121.702 120.400 0.050 0.000 2.103 496 K HA 0.213 4.539 4.320 0.010 0.000 0.207 496 K C 1.252 177.888 176.600 0.060 0.000 1.048 496 K CA 1.333 57.648 56.287 0.048 0.000 0.930 496 K CB -1.134 31.389 32.500 0.040 0.000 0.716 496 K HN 0.416 nan 8.250 nan 0.000 0.444 497 S N 2.087 117.832 115.700 0.076 0.000 2.510 497 S HA 0.305 4.781 4.470 0.010 0.000 0.279 497 S C -2.270 172.398 174.600 0.113 0.000 1.284 497 S CA -1.120 57.142 58.200 0.102 0.000 1.059 497 S CB 1.061 64.341 63.200 0.133 0.000 0.901 497 S HN 0.477 nan 8.310 nan 0.000 0.491 498 P HA 0.020 nan 4.420 nan 0.000 0.266 498 P C -0.504 176.879 177.300 0.138 0.000 1.195 498 P CA -0.212 62.947 63.100 0.098 0.000 0.768 498 P CB 0.429 32.170 31.700 0.068 0.000 0.838 499 Q N 1.183 121.066 119.800 0.138 0.000 2.314 499 Q HA 0.100 4.446 4.340 0.010 0.000 0.258 499 Q C -0.485 175.665 176.000 0.250 0.000 0.954 499 Q CA 0.143 56.060 55.803 0.191 0.000 0.890 499 Q CB 0.895 29.730 28.738 0.163 0.000 1.210 499 Q HN 0.556 nan 8.270 nan 0.000 0.410 500 W N 7.055 128.405 121.300 0.084 0.000 2.357 500 W HA 0.300 4.965 4.660 0.009 0.000 0.317 500 W C -2.448 174.208 176.519 0.228 0.000 1.101 500 W CA -2.526 54.881 57.345 0.102 0.000 1.380 500 W CB 0.381 29.842 29.460 0.001 0.000 1.266 500 W HN 0.398 nan 8.180 nan 0.000 0.419 501 P HA 0.320 nan 4.420 nan 0.000 0.279 501 P C -2.628 174.867 177.300 0.325 0.000 1.252 501 P CA -1.753 61.567 63.100 0.367 0.000 0.811 501 P CB 0.776 32.606 31.700 0.217 0.000 1.035 502 P HA 0.077 nan 4.420 nan 0.000 0.269 502 P C -0.664 176.627 177.300 -0.016 0.000 1.215 502 P CA 0.145 63.041 63.100 -0.341 0.000 0.780 502 P CB 0.066 31.559 31.700 -0.345 0.000 0.898 503 Y N 2.107 122.347 120.300 -0.099 0.000 2.335 503 Y HA 0.372 4.930 4.550 0.014 0.000 0.331 503 Y C 0.320 176.211 175.900 -0.015 0.000 1.094 503 Y CA 0.544 58.657 58.100 0.020 0.000 1.253 503 Y CB 0.367 38.859 38.460 0.054 0.000 1.203 503 Y HN 0.391 nan 8.280 nan 0.000 0.508 504 T N 0.066 114.279 114.554 -0.567 0.000 2.901 504 T HA 0.249 4.605 4.350 0.010 0.000 0.293 504 T C 0.868 175.257 174.700 -0.517 0.000 1.084 504 T CA -0.215 61.663 62.100 -0.371 0.000 1.008 504 T CB 1.261 70.016 68.868 -0.188 0.000 1.170 504 T HN 0.653 nan 8.240 nan 0.000 0.509 505 T N -0.790 113.632 114.554 -0.220 0.000 2.777 505 T HA 0.004 4.360 4.350 0.010 0.000 0.266 505 T C 2.340 176.969 174.700 -0.119 0.000 1.040 505 T CA 0.996 63.017 62.100 -0.132 0.000 1.141 505 T CB -0.937 67.918 68.868 -0.022 0.000 0.868 505 T HN 0.865 nan 8.240 nan 0.000 0.444 506 A N 1.631 124.391 122.820 -0.100 0.000 1.933 506 A HA 0.408 4.734 4.320 0.010 0.000 0.218 506 A C 2.562 180.103 177.584 -0.072 0.000 1.175 506 A CA 1.916 53.914 52.037 -0.064 0.000 0.628 506 A CB -0.963 18.009 19.000 -0.046 0.000 0.814 506 A HN 0.844 nan 8.150 nan 0.000 0.444 507 A N -3.010 119.738 122.820 -0.120 0.000 2.226 507 A HA 0.370 4.696 4.320 0.010 0.000 0.207 507 A C 0.816 178.338 177.584 -0.103 0.000 1.293 507 A CA 0.788 52.775 52.037 -0.084 0.000 0.968 507 A CB 0.054 19.020 19.000 -0.055 0.000 1.044 507 A HN 0.437 nan 8.150 nan 0.000 0.493 508 Q N 0.073 119.695 119.800 -0.297 0.000 2.453 508 Q HA -0.217 4.129 4.340 0.010 0.000 0.294 508 Q C -0.625 175.435 176.000 0.101 0.000 1.295 508 Q CA 0.755 56.352 55.803 -0.343 0.000 0.853 508 Q CB -1.753 26.977 28.738 -0.013 0.000 1.193 508 Q HN 0.829 nan 8.270 nan 0.000 0.461 509 Q N 0.254 120.099 119.800 0.075 0.000 2.293 509 Q HA 0.518 4.864 4.340 0.010 0.000 0.251 509 Q C -0.395 175.913 176.000 0.513 0.000 0.930 509 Q CA -0.032 55.913 55.803 0.237 0.000 0.893 509 Q CB 0.688 29.498 28.738 0.119 0.000 1.215 509 Q HN 0.336 nan 8.270 nan 0.000 0.425 510 Y N -1.996 118.443 120.300 0.233 0.000 2.670 510 Y HA 0.675 5.235 4.550 0.017 0.000 0.334 510 Y C -1.261 174.661 175.900 0.037 0.000 1.185 510 Y CA -1.513 56.724 58.100 0.228 0.000 1.053 510 Y CB 0.411 39.003 38.460 0.221 0.000 1.298 510 Y HN 0.345 nan 8.280 nan 0.000 0.459 511 V N -0.371 119.479 119.914 -0.106 0.000 2.815 511 V HA 0.842 4.968 4.120 0.010 0.000 0.314 511 V C -0.165 175.833 176.094 -0.161 0.000 1.064 511 V CA -0.565 61.508 62.300 -0.378 0.000 0.952 511 V CB 1.292 32.606 31.823 -0.848 0.000 1.020 511 V HN 1.206 nan 8.190 nan 0.000 0.439 512 S N 3.787 119.386 115.700 -0.168 0.000 2.523 512 S HA 0.658 5.134 4.470 0.010 0.000 0.275 512 S C -0.425 174.135 174.600 -0.067 0.000 1.281 512 S CA -0.615 57.555 58.200 -0.050 0.000 1.050 512 S CB 0.439 63.602 63.200 -0.062 0.000 0.937 512 S HN 0.744 nan 8.310 nan 0.000 0.492 513 L N 4.258 125.490 121.223 0.014 0.000 2.283 513 L HA 0.475 4.821 4.340 0.010 0.000 0.281 513 L C -0.260 176.521 176.870 -0.149 0.000 1.033 513 L CA -0.445 54.428 54.840 0.054 0.000 0.848 513 L CB -0.110 42.079 42.059 0.217 0.000 1.226 513 L HN 0.893 nan 8.230 nan 0.000 0.429 514 N N 2.042 120.588 118.700 -0.256 0.000 3.418 514 N HA 0.384 5.130 4.740 0.010 0.000 0.316 514 N C 0.365 175.322 175.510 -0.921 0.000 1.601 514 N CA -0.977 51.669 53.050 -0.673 0.000 0.805 514 N CB 0.647 38.906 38.487 -0.380 0.000 1.873 514 N HN 0.138 nan 8.380 nan 0.000 0.615 515 L N -0.874 119.819 121.223 -0.882 0.000 2.191 515 L HA 0.037 4.383 4.340 0.010 0.000 0.212 515 L C 0.687 177.371 176.870 -0.311 0.000 1.103 515 L CA 1.080 55.522 54.840 -0.664 0.000 0.769 515 L CB -0.460 41.300 42.059 -0.499 0.000 0.908 515 L HN 0.403 nan 8.230 nan 0.000 0.438 516 K N 0.205 120.467 120.400 -0.229 0.000 2.168 516 K HA 0.210 4.536 4.320 0.010 0.000 0.258 516 K C -2.126 174.431 176.600 -0.073 0.000 1.010 516 K CA -1.831 54.385 56.287 -0.119 0.000 0.929 516 K CB 0.150 32.593 32.500 -0.095 0.000 0.998 516 K HN -0.193 nan 8.250 nan 0.000 0.479 517 P HA -0.047 nan 4.420 nan 0.000 0.268 517 P C -0.402 176.900 177.300 0.003 0.000 1.208 517 P CA -0.039 63.072 63.100 0.018 0.000 0.777 517 P CB 0.366 32.079 31.700 0.022 0.000 0.875 518 L N 1.533 122.774 121.223 0.029 0.000 2.667 518 L HA -0.104 4.242 4.340 0.010 0.000 0.278 518 L C 1.198 178.031 176.870 -0.062 0.000 1.217 518 L CA 0.762 55.579 54.840 -0.039 0.000 0.935 518 L CB -0.457 41.574 42.059 -0.047 0.000 1.193 518 L HN 0.501 nan 8.230 nan 0.000 0.493 519 E N 3.694 123.834 120.200 -0.099 0.000 2.175 519 E HA 0.362 4.718 4.350 0.010 0.000 0.278 519 E C -1.123 175.380 176.600 -0.161 0.000 0.969 519 E CA -0.836 55.503 56.400 -0.102 0.000 0.796 519 E CB 1.764 31.410 29.700 -0.089 0.000 1.104 519 E HN 0.303 nan 8.360 nan 0.000 0.395 520 V N 5.230 125.063 119.914 -0.136 0.000 2.488 520 V HA 0.312 4.438 4.120 0.010 0.000 0.277 520 V C 0.429 176.388 176.094 -0.226 0.000 1.046 520 V CA -0.083 62.115 62.300 -0.171 0.000 0.986 520 V CB 0.845 32.624 31.823 -0.073 0.000 0.989 520 V HN 0.712 nan 8.190 nan 0.000 0.475 521 R N 3.990 124.228 120.500 -0.438 0.000 2.873 521 R HA 0.752 5.098 4.340 0.010 0.000 0.264 521 R C -0.770 175.309 176.300 -0.368 0.000 1.026 521 R CA -1.007 54.801 56.100 -0.487 0.000 1.002 521 R CB 2.236 32.067 30.300 -0.782 0.000 1.174 521 R HN 0.607 nan 8.270 nan 0.000 0.488 522 R N -0.054 120.428 120.500 -0.029 0.000 2.561 522 R HA 0.459 4.805 4.340 0.010 0.000 0.297 522 R C -0.885 175.626 176.300 0.352 0.000 0.969 522 R CA -0.612 55.600 56.100 0.186 0.000 0.879 522 R CB 2.215 32.568 30.300 0.088 0.000 1.178 522 R HN 0.889 nan 8.270 nan 0.000 0.445 523 G N 2.292 111.338 108.800 0.411 0.000 3.445 523 G HA2 -0.207 3.759 3.960 0.010 0.000 0.680 523 G HA3 -0.207 3.759 3.960 0.010 0.000 0.680 523 G C -1.091 173.960 174.900 0.251 0.000 0.972 523 G CA -0.889 44.386 45.100 0.292 0.000 0.798 523 G HN 0.411 nan 8.290 nan 0.000 0.461 524 L N 3.901 125.162 121.223 0.063 0.000 2.328 524 L HA 0.581 4.927 4.340 0.010 0.000 0.280 524 L C 1.512 178.365 176.870 -0.028 0.000 1.111 524 L CA -0.227 54.482 54.840 -0.218 0.000 0.909 524 L CB -0.182 41.638 42.059 -0.399 0.000 1.277 524 L HN 0.725 nan 8.230 nan 0.000 0.433 525 R N 3.028 123.555 120.500 0.045 0.000 3.184 525 R HA -0.314 4.032 4.340 0.010 0.000 0.242 525 R C 1.398 177.782 176.300 0.140 0.000 0.907 525 R CA 0.475 56.646 56.100 0.117 0.000 0.618 525 R CB -1.049 29.334 30.300 0.137 0.000 1.016 525 R HN 0.874 nan 8.270 nan 0.000 0.469 526 A N 0.466 123.366 122.820 0.133 0.000 1.865 526 A HA -0.283 4.043 4.320 0.010 0.000 0.217 526 A C 1.898 179.571 177.584 0.149 0.000 1.191 526 A CA 1.746 53.865 52.037 0.137 0.000 0.623 526 A CB -0.334 18.743 19.000 0.128 0.000 0.826 526 A HN 0.678 nan 8.150 nan 0.000 0.444 527 Q N -1.216 118.670 119.800 0.143 0.000 2.030 527 Q HA -0.183 4.163 4.340 0.010 0.000 0.204 527 Q C 2.148 178.272 176.000 0.207 0.000 0.986 527 Q CA 2.306 58.197 55.803 0.148 0.000 0.843 527 Q CB -0.297 28.512 28.738 0.119 0.000 0.904 527 Q HN 0.631 nan 8.270 nan 0.000 0.420 528 T N -0.300 114.406 114.554 0.253 0.000 2.867 528 T HA -0.116 4.240 4.350 0.010 0.000 0.268 528 T C 1.824 176.769 174.700 0.410 0.000 1.057 528 T CA 1.102 63.413 62.100 0.351 0.000 1.136 528 T CB -0.211 68.901 68.868 0.407 0.000 0.874 528 T HN 0.396 nan 8.240 nan 0.000 0.466 529 c N 1.579 120.383 118.600 0.340 0.000 2.448 529 c HA 0.259 4.835 4.570 0.010 0.000 0.280 529 c C 3.103 177.351 174.090 0.262 0.000 1.398 529 c CA -0.038 56.493 56.329 0.336 0.000 1.774 529 c CB -1.376 41.263 42.510 0.215 0.000 1.888 529 c HN 0.635 nan 8.230 nan 0.000 0.519 530 A N 0.338 123.284 122.820 0.209 0.000 1.933 530 A HA -0.190 4.136 4.320 0.010 0.000 0.218 530 A C 1.862 179.544 177.584 0.164 0.000 1.175 530 A CA 1.611 53.746 52.037 0.164 0.000 0.628 530 A CB -0.776 18.306 19.000 0.137 0.000 0.814 530 A HN 0.558 nan 8.150 nan 0.000 0.444 531 F N -0.755 119.183 119.950 -0.019 0.000 2.046 531 F HA -0.195 4.337 4.527 0.009 0.000 0.297 531 F C 1.983 177.733 175.800 -0.084 0.000 1.123 531 F CA 1.954 59.850 58.000 -0.174 0.000 1.199 531 F CB -0.559 38.042 39.000 -0.665 0.000 0.972 531 F HN 0.369 nan 8.300 nan 0.000 0.474 532 W N 0.549 121.844 121.300 -0.007 0.000 2.436 532 W HA -0.107 4.557 4.660 0.007 0.000 0.284 532 W C 2.091 178.569 176.519 -0.068 0.000 1.225 532 W CA 0.900 58.202 57.345 -0.072 0.000 1.271 532 W CB -0.405 29.143 29.460 0.147 0.000 1.114 532 W HN 0.012 nan 8.180 nan 0.000 0.559 533 N N -0.654 118.169 118.700 0.205 0.000 2.415 533 N HA 0.071 4.817 4.740 0.010 0.000 0.174 533 N C 1.486 177.027 175.510 0.052 0.000 1.048 533 N CA 0.725 53.844 53.050 0.115 0.000 0.895 533 N CB -0.106 38.447 38.487 0.110 0.000 1.036 533 N HN 0.207 nan 8.380 nan 0.000 0.449 534 R N -1.327 119.205 120.500 0.054 0.000 2.287 534 R HA 0.245 4.591 4.340 0.010 0.000 0.197 534 R C 1.186 177.505 176.300 0.033 0.000 0.900 534 R CA 0.082 56.209 56.100 0.046 0.000 1.052 534 R CB 0.215 30.563 30.300 0.081 0.000 1.117 534 R HN 0.059 nan 8.270 nan 0.000 0.568 535 F N 0.193 120.043 119.950 -0.168 0.000 2.399 535 F HA 0.126 4.659 4.527 0.010 0.000 0.282 535 F C 1.675 177.293 175.800 -0.304 0.000 1.027 535 F CA 0.300 58.167 58.000 -0.221 0.000 1.333 535 F CB -0.157 38.711 39.000 -0.219 0.000 1.132 535 F HN -0.175 nan 8.300 nan 0.000 0.590 536 L N 1.613 122.495 121.223 -0.569 0.000 2.043 536 L HA -0.102 4.244 4.340 0.010 0.000 0.212 536 L C -0.935 175.693 176.870 -0.402 0.000 1.075 536 L CA 2.239 56.719 54.840 -0.601 0.000 0.752 536 L CB -1.673 40.051 42.059 -0.557 0.000 0.891 536 L HN 0.030 nan 8.230 nan 0.000 0.432 537 P HA -0.203 nan 4.420 nan 0.000 0.215 537 P C 1.302 178.469 177.300 -0.221 0.000 1.153 537 P CA 1.631 64.627 63.100 -0.173 0.000 0.853 537 P CB -0.114 31.523 31.700 -0.104 0.000 0.788 538 K N -0.994 119.230 120.400 -0.295 0.000 2.147 538 K HA -0.116 4.210 4.320 0.010 0.000 0.205 538 K C 1.942 178.338 176.600 -0.341 0.000 1.049 538 K CA 0.990 57.106 56.287 -0.284 0.000 0.936 538 K CB -0.941 31.392 32.500 -0.277 0.000 0.722 538 K HN 0.133 nan 8.250 nan 0.000 0.446 539 L N 1.381 122.292 121.223 -0.520 0.000 2.156 539 L HA -0.023 4.323 4.340 0.010 0.000 0.208 539 L C 1.102 177.830 176.870 -0.236 0.000 1.095 539 L CA 1.228 55.805 54.840 -0.438 0.000 0.770 539 L CB -0.329 41.381 42.059 -0.580 0.000 0.914 539 L HN 0.044 nan 8.230 nan 0.000 0.439 540 L N 0.732 121.830 121.223 -0.209 0.000 2.697 540 L HA 0.116 4.462 4.340 0.010 0.000 0.239 540 L C -0.138 176.672 176.870 -0.099 0.000 1.430 540 L CA -0.112 54.653 54.840 -0.125 0.000 1.193 540 L CB -1.301 40.698 42.059 -0.101 0.000 1.516 540 L HN 0.218 nan 8.230 nan 0.000 0.439 541 S N 0.000 115.644 115.700 -0.094 0.000 2.498 541 S HA 0.000 4.476 4.470 0.010 0.000 0.327 541 S CA 0.000 58.158 58.200 -0.069 0.000 1.107 541 S CB 0.000 63.157 63.200 -0.071 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517