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 2wu4_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPXXXXXPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.417 56.400 0.029 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N -0.152 108.661 108.800 0.020 0.000 3.638 2 G HA2 -0.146 3.818 3.960 0.008 0.000 0.196 2 G HA3 -0.146 3.818 3.960 0.008 0.000 0.196 2 G C 0.875 175.785 174.900 0.016 0.000 1.315 2 G CA 0.170 45.279 45.100 0.016 0.000 0.944 2 G HN 0.254 nan 8.290 nan 0.000 0.434 3 R N 1.401 121.912 120.500 0.018 0.000 2.404 3 R HA 0.299 4.644 4.340 0.008 0.000 0.237 3 R C 0.453 176.766 176.300 0.021 0.000 0.907 3 R CA 0.211 56.321 56.100 0.017 0.000 1.063 3 R CB 0.511 30.819 30.300 0.013 0.000 1.134 3 R HN 0.601 nan 8.270 nan 0.000 0.529 4 E N 1.152 121.368 120.200 0.026 0.000 2.342 4 E HA 0.028 4.383 4.350 0.008 0.000 0.257 4 E C -0.443 176.182 176.600 0.041 0.000 1.150 4 E CA -0.614 55.805 56.400 0.032 0.000 0.926 4 E CB 0.695 30.417 29.700 0.037 0.000 1.074 4 E HN -0.158 nan 8.360 nan 0.000 0.449 5 D N 2.156 122.588 120.400 0.054 0.000 2.346 5 D HA 0.008 4.652 4.640 0.008 0.000 0.260 5 D C -1.439 174.903 176.300 0.070 0.000 1.252 5 D CA -2.068 51.978 54.000 0.076 0.000 0.895 5 D CB 0.834 41.705 40.800 0.117 0.000 1.097 5 D HN 0.111 nan 8.370 nan 0.000 0.489 6 P HA -0.195 nan 4.420 nan 0.000 0.218 6 P C 1.019 178.334 177.300 0.024 0.000 1.146 6 P CA 0.908 64.025 63.100 0.029 0.000 0.820 6 P CB 0.431 32.136 31.700 0.009 0.000 0.778 7 Q N -0.783 119.022 119.800 0.009 0.000 2.369 7 Q HA 0.064 4.409 4.340 0.008 0.000 0.206 7 Q C 1.980 178.055 176.000 0.126 0.000 0.963 7 Q CA 0.727 56.515 55.803 -0.025 0.000 0.894 7 Q CB -0.157 28.405 28.738 -0.294 0.000 0.965 7 Q HN 0.427 nan 8.270 nan 0.000 0.475 8 L N 0.077 121.394 121.223 0.157 0.000 2.607 8 L HA 0.189 4.533 4.340 0.008 0.000 0.228 8 L C 0.252 177.310 176.870 0.312 0.000 1.123 8 L CA -0.033 54.932 54.840 0.209 0.000 0.890 8 L CB 0.243 42.346 42.059 0.073 0.000 1.103 8 L HN -0.041 nan 8.230 nan 0.000 0.468 9 L N 0.883 122.232 121.223 0.211 0.000 2.265 9 L HA 0.519 4.864 4.340 0.008 0.000 0.289 9 L C -0.704 176.214 176.870 0.081 0.000 1.033 9 L CA -0.384 54.553 54.840 0.163 0.000 0.814 9 L CB 1.679 43.792 42.059 0.090 0.000 1.203 9 L HN -0.226 nan 8.230 nan 0.000 0.423 10 V N 3.399 123.335 119.914 0.036 0.000 2.888 10 V HA 0.480 4.605 4.120 0.008 0.000 0.309 10 V C -0.480 175.531 176.094 -0.139 0.000 1.114 10 V CA -0.769 61.411 62.300 -0.200 0.000 0.940 10 V CB 2.753 34.191 31.823 -0.641 0.000 1.021 10 V HN 0.740 nan 8.190 nan 0.000 0.426 11 R N 2.794 123.183 120.500 -0.185 0.000 2.393 11 R HA 0.810 5.155 4.340 0.008 0.000 0.310 11 R C -0.777 175.429 176.300 -0.157 0.000 0.968 11 R CA -0.306 55.724 56.100 -0.116 0.000 0.867 11 R CB 1.769 32.004 30.300 -0.109 0.000 1.124 11 R HN 0.706 nan 8.270 nan 0.000 0.450 12 V N 1.924 121.809 119.914 -0.048 0.000 3.204 12 V HA 0.500 4.625 4.120 0.008 0.000 0.316 12 V C 1.203 177.229 176.094 -0.112 0.000 1.160 12 V CA -0.947 61.321 62.300 -0.054 0.000 1.044 12 V CB 1.535 33.467 31.823 0.182 0.000 1.136 12 V HN 0.862 nan 8.190 nan 0.000 0.455 13 R N 1.228 121.650 120.500 -0.130 0.000 2.139 13 R HA -0.017 4.328 4.340 0.008 0.000 0.243 13 R C 1.748 177.939 176.300 -0.182 0.000 1.145 13 R CA 2.387 58.407 56.100 -0.134 0.000 0.976 13 R CB -1.174 29.064 30.300 -0.103 0.000 0.866 13 R HN 1.029 nan 8.270 nan 0.000 0.449 14 G N -1.968 106.704 108.800 -0.214 0.000 2.880 14 G HA2 0.403 4.368 3.960 0.008 0.000 0.209 14 G HA3 0.403 4.368 3.960 0.008 0.000 0.209 14 G C 0.298 174.290 174.900 -1.514 0.000 1.157 14 G CA 0.310 45.059 45.100 -0.585 0.000 0.779 14 G HN 0.725 nan 8.290 nan 0.000 0.539 15 G N -1.133 107.008 108.800 -1.098 0.000 2.340 15 G HA2 0.159 4.124 3.960 0.008 0.000 0.282 15 G HA3 0.159 4.124 3.960 0.008 0.000 0.282 15 G C -1.263 173.501 174.900 -0.226 0.000 1.312 15 G CA -0.955 43.519 45.100 -1.043 0.000 0.942 15 G HN 0.248 nan 8.290 nan 0.000 0.495 16 Q N -0.543 119.309 119.800 0.087 0.000 2.230 16 Q HA 0.707 5.052 4.340 0.008 0.000 0.248 16 Q C -0.488 175.801 176.000 0.483 0.000 0.915 16 Q CA -0.272 55.683 55.803 0.254 0.000 0.900 16 Q CB 1.746 30.582 28.738 0.163 0.000 1.229 16 Q HN 0.446 nan 8.270 nan 0.000 0.439 17 L N 1.592 123.020 121.223 0.341 0.000 2.381 17 L HA 0.598 4.943 4.340 0.008 0.000 0.268 17 L C -0.512 176.557 176.870 0.332 0.000 0.997 17 L CA -0.775 54.285 54.840 0.367 0.000 0.818 17 L CB 2.210 44.521 42.059 0.421 0.000 1.310 17 L HN 0.461 nan 8.230 nan 0.000 0.416 18 R N 1.228 121.896 120.500 0.279 0.000 2.360 18 R HA 0.655 5.000 4.340 0.008 0.000 0.318 18 R C -0.369 176.030 176.300 0.165 0.000 0.950 18 R CA -0.308 55.923 56.100 0.220 0.000 0.837 18 R CB 1.662 32.028 30.300 0.110 0.000 1.165 18 R HN 0.816 nan 8.270 nan 0.000 0.458 19 G N 3.398 112.229 108.800 0.052 0.000 2.568 19 G HA2 0.470 4.435 3.960 0.008 0.000 0.293 19 G HA3 0.470 4.435 3.960 0.008 0.000 0.293 19 G C -0.965 173.710 174.900 -0.375 0.000 1.347 19 G CA -0.761 44.020 45.100 -0.531 0.000 1.039 19 G HN 0.602 nan 8.290 nan 0.000 0.523 20 I N -0.926 119.373 120.570 -0.451 0.000 2.730 20 I HA 0.519 4.694 4.170 0.008 0.000 0.298 20 I C -0.165 175.814 176.117 -0.231 0.000 1.089 20 I CA -1.177 59.964 61.300 -0.264 0.000 1.041 20 I CB 2.149 40.010 38.000 -0.232 0.000 1.235 20 I HN 0.437 nan 8.210 nan 0.000 0.423 21 R N 7.664 128.070 120.500 -0.157 0.000 2.216 21 R HA 0.522 4.867 4.340 0.008 0.000 0.332 21 R C -1.711 174.475 176.300 -0.190 0.000 1.056 21 R CA -0.322 55.663 56.100 -0.192 0.000 0.901 21 R CB 0.514 30.663 30.300 -0.252 0.000 1.039 21 R HN 0.637 nan 8.270 nan 0.000 0.456 22 L N 3.703 124.827 121.223 -0.165 0.000 2.330 22 L HA 0.462 4.807 4.340 0.008 0.000 0.271 22 L C -0.129 176.662 176.870 -0.132 0.000 1.013 22 L CA -0.980 53.787 54.840 -0.121 0.000 0.816 22 L CB 1.947 43.973 42.059 -0.056 0.000 1.287 22 L HN 0.535 nan 8.230 nan 0.000 0.435 23 K N 1.726 122.058 120.400 -0.114 0.000 2.227 23 K HA 0.673 4.998 4.320 0.008 0.000 0.280 23 K C -0.835 175.699 176.600 -0.110 0.000 1.041 23 K CA -0.291 55.933 56.287 -0.105 0.000 0.905 23 K CB 1.407 33.858 32.500 -0.081 0.000 1.068 23 K HN 0.707 nan 8.250 nan 0.000 0.470 24 A N 5.202 127.961 122.820 -0.103 0.000 2.354 24 A HA 0.493 4.817 4.320 0.008 0.000 0.321 24 A C -2.128 175.452 177.584 -0.007 0.000 1.125 24 A CA -1.853 50.115 52.037 -0.114 0.000 0.799 24 A CB 0.985 19.891 19.000 -0.157 0.000 1.293 24 A HN 0.652 nan 8.150 nan 0.000 0.452 25 P HA -0.160 nan 4.420 nan 0.000 0.216 25 P C 1.351 178.681 177.300 0.049 0.000 1.154 25 P CA 2.271 65.421 63.100 0.084 0.000 0.865 25 P CB 0.203 31.985 31.700 0.137 0.000 0.789 26 G N -2.383 106.449 108.800 0.053 0.000 2.985 26 G HA2 0.431 4.395 3.960 0.008 0.000 0.209 26 G HA3 0.431 4.395 3.960 0.008 0.000 0.209 26 G C 0.555 175.470 174.900 0.025 0.000 1.165 26 G CA 0.499 45.621 45.100 0.037 0.000 0.776 26 G HN 0.641 nan 8.290 nan 0.000 0.541 27 G N -0.706 108.100 108.800 0.010 0.000 2.369 27 G HA2 0.329 4.294 3.960 0.008 0.000 0.293 27 G HA3 0.329 4.294 3.960 0.008 0.000 0.293 27 G C -3.400 171.479 174.900 -0.034 0.000 1.301 27 G CA -0.761 44.336 45.100 -0.005 0.000 0.913 27 G HN 0.054 nan 8.290 nan 0.000 0.540 28 P HA 0.529 nan 4.420 nan 0.000 0.274 28 P C 0.040 177.313 177.300 -0.046 0.000 1.231 28 P CA -0.332 62.666 63.100 -0.170 0.000 0.790 28 P CB 1.509 32.938 31.700 -0.451 0.000 0.951 29 V N -1.664 118.228 119.914 -0.036 0.000 3.040 29 V HA 0.673 4.798 4.120 0.008 0.000 0.312 29 V C -0.470 175.710 176.094 0.145 0.000 1.115 29 V CA -0.874 61.503 62.300 0.129 0.000 0.998 29 V CB 1.917 33.825 31.823 0.143 0.000 1.042 29 V HN 0.376 nan 8.190 nan 0.000 0.433 30 S N 1.875 117.736 115.700 0.268 0.000 2.475 30 S HA 0.819 5.294 4.470 0.008 0.000 0.281 30 S C 0.069 174.674 174.600 0.007 0.000 1.198 30 S CA 0.063 58.363 58.200 0.166 0.000 1.063 30 S CB 1.053 64.448 63.200 0.325 0.000 0.972 30 S HN 1.514 nan 8.310 nan 0.000 0.486 31 A N 3.049 125.695 122.820 -0.290 0.000 2.331 31 A HA 0.802 5.127 4.320 0.008 0.000 0.320 31 A C -1.102 176.055 177.584 -0.711 0.000 1.138 31 A CA -0.616 51.127 52.037 -0.491 0.000 0.790 31 A CB 0.377 19.048 19.000 -0.549 0.000 1.206 31 A HN 0.688 nan 8.150 nan 0.000 0.470 32 F N 2.735 122.502 119.950 -0.305 0.000 2.366 32 F HA 0.465 4.997 4.527 0.008 0.000 0.366 32 F C -0.172 175.422 175.800 -0.344 0.000 1.096 32 F CA -0.299 57.588 58.000 -0.189 0.000 1.060 32 F CB 1.257 40.286 39.000 0.049 0.000 1.282 32 F HN 0.333 nan 8.300 nan 0.000 0.450 33 L N 2.357 123.415 121.223 -0.276 0.000 2.317 33 L HA 0.702 5.047 4.340 0.008 0.000 0.281 33 L C 0.841 177.594 176.870 -0.195 0.000 1.024 33 L CA -0.990 53.617 54.840 -0.387 0.000 0.810 33 L CB 1.695 43.319 42.059 -0.725 0.000 1.240 33 L HN 0.831 nan 8.230 nan 0.000 0.427 34 G N 3.278 112.024 108.800 -0.090 0.000 2.256 34 G HA2 -0.242 3.723 3.960 0.008 0.000 0.272 34 G HA3 -0.242 3.723 3.960 0.008 0.000 0.272 34 G C -0.258 174.686 174.900 0.074 0.000 1.076 34 G CA -0.383 44.691 45.100 -0.044 0.000 0.882 34 G HN 0.477 nan 8.290 nan 0.000 0.497 35 I N 1.592 122.216 120.570 0.091 0.000 2.371 35 I HA 0.282 4.457 4.170 0.008 0.000 0.290 35 I C -1.669 174.507 176.117 0.098 0.000 1.028 35 I CA -2.396 58.938 61.300 0.056 0.000 1.345 35 I CB 1.289 39.267 38.000 -0.036 0.000 1.407 35 I HN -0.050 nan 8.210 nan 0.000 0.501 36 P HA 0.082 nan 4.420 nan 0.000 0.276 36 P C -0.235 177.005 177.300 -0.100 0.000 1.230 36 P CA -0.012 62.934 63.100 -0.258 0.000 0.776 36 P CB 0.345 31.890 31.700 -0.259 0.000 0.888 37 F N 0.283 120.073 119.950 -0.267 0.000 2.746 37 F HA 0.763 5.295 4.527 0.008 0.000 0.320 37 F C 0.033 175.821 175.800 -0.020 0.000 1.097 37 F CA -0.686 57.236 58.000 -0.131 0.000 1.195 37 F CB 0.170 39.008 39.000 -0.270 0.000 1.056 37 F HN 0.309 nan 8.300 nan 0.000 0.562 38 A N 0.143 122.679 122.820 -0.473 0.000 2.556 38 A HA 0.598 4.922 4.320 0.008 0.000 0.294 38 A C -0.839 176.589 177.584 -0.260 0.000 1.091 38 A CA -0.769 51.075 52.037 -0.322 0.000 0.704 38 A CB 1.051 19.773 19.000 -0.463 0.000 1.300 38 A HN 0.072 nan 8.150 nan 0.000 0.406 39 E N 1.228 121.348 120.200 -0.132 0.000 2.384 39 E HA 0.221 4.576 4.350 0.008 0.000 0.266 39 E C -2.328 174.177 176.600 -0.158 0.000 1.012 39 E CA -1.328 55.007 56.400 -0.107 0.000 0.901 39 E CB 0.019 29.693 29.700 -0.043 0.000 0.967 39 E HN 0.227 nan 8.360 nan 0.000 0.435 40 P HA -0.001 nan 4.420 nan 0.000 0.260 40 P C -2.162 175.074 177.300 -0.106 0.000 1.185 40 P CA -0.746 62.268 63.100 -0.143 0.000 0.763 40 P CB -0.029 31.623 31.700 -0.080 0.000 0.776 41 P HA -0.009 nan 4.420 nan 0.000 0.228 41 P C -0.105 177.143 177.300 -0.087 0.000 1.748 41 P CA 0.134 63.181 63.100 -0.088 0.000 0.909 41 P CB -0.165 31.485 31.700 -0.084 0.000 1.882 42 V N -3.207 116.662 119.914 -0.076 0.000 3.096 42 V HA 0.871 4.996 4.120 0.008 0.000 0.319 42 V C 1.030 177.086 176.094 -0.064 0.000 1.082 42 V CA 0.179 62.435 62.300 -0.074 0.000 1.022 42 V CB 0.595 32.384 31.823 -0.057 0.000 1.103 42 V HN 0.517 nan 8.190 nan 0.000 0.455 43 G N 2.351 111.113 108.800 -0.063 0.000 2.591 43 G HA2 -0.339 3.626 3.960 0.008 0.000 0.298 43 G HA3 -0.339 3.626 3.960 0.008 0.000 0.298 43 G C 1.203 176.076 174.900 -0.045 0.000 1.195 43 G CA 1.623 46.697 45.100 -0.044 0.000 0.989 43 G HN 2.362 nan 8.290 nan 0.000 0.551 44 S N 0.480 116.166 115.700 -0.023 0.000 2.507 44 S HA 0.016 4.491 4.470 0.008 0.000 0.235 44 S C 1.915 176.509 174.600 -0.011 0.000 0.988 44 S CA 1.624 59.820 58.200 -0.008 0.000 0.944 44 S CB -0.106 63.096 63.200 0.004 0.000 0.762 44 S HN 0.698 nan 8.310 nan 0.000 0.526 45 R N 0.825 121.306 120.500 -0.032 0.000 2.297 45 R HA 0.215 4.560 4.340 0.008 0.000 0.197 45 R C 0.979 177.239 176.300 -0.068 0.000 0.943 45 R CA -0.183 55.898 56.100 -0.032 0.000 1.038 45 R CB -0.066 30.213 30.300 -0.034 0.000 0.957 45 R HN 0.436 nan 8.270 nan 0.000 0.484 46 R N 0.911 121.323 120.500 -0.147 0.000 2.585 46 R HA -0.132 4.213 4.340 0.008 0.000 0.275 46 R C -0.308 175.777 176.300 -0.357 0.000 1.018 46 R CA 0.595 56.481 56.100 -0.357 0.000 1.072 46 R CB 0.155 30.116 30.300 -0.564 0.000 0.953 46 R HN 0.091 nan 8.270 nan 0.000 0.419 47 F N -0.914 119.048 119.950 0.020 0.000 2.705 47 F HA -0.324 4.207 4.527 0.008 0.000 0.413 47 F C 0.244 176.032 175.800 -0.020 0.000 0.588 47 F CA 0.780 58.765 58.000 -0.024 0.000 1.187 47 F CB -1.734 37.237 39.000 -0.049 0.000 1.737 47 F HN 0.479 nan 8.300 nan 0.000 0.285 48 M N 1.362 121.028 119.600 0.111 0.000 2.288 48 M HA 0.363 4.848 4.480 0.008 0.000 0.334 48 M C -1.866 174.463 176.300 0.049 0.000 1.150 48 M CA -1.441 53.904 55.300 0.075 0.000 1.118 48 M CB 0.427 33.059 32.600 0.052 0.000 1.501 48 M HN -0.361 nan 8.290 nan 0.000 0.462 49 P HA -0.019 nan 4.420 nan 0.000 0.267 49 P C -2.435 174.893 177.300 0.047 0.000 1.195 49 P CA -0.335 62.800 63.100 0.058 0.000 0.773 49 P CB -0.431 31.311 31.700 0.070 0.000 0.837 50 P HA 0.147 nan 4.420 nan 0.000 0.280 50 P C -0.586 176.742 177.300 0.047 0.000 1.244 50 P CA 0.086 63.206 63.100 0.034 0.000 0.784 50 P CB 0.878 32.617 31.700 0.064 0.000 0.913 51 E N 4.119 124.332 120.200 0.021 0.000 2.266 51 E HA 0.305 4.660 4.350 0.008 0.000 0.277 51 E C -2.190 174.436 176.600 0.043 0.000 1.018 51 E CA -2.105 54.317 56.400 0.037 0.000 0.840 51 E CB 0.253 29.968 29.700 0.025 0.000 1.082 51 E HN 0.347 nan 8.360 nan 0.000 0.395 52 P HA -0.046 nan 4.420 nan 0.000 0.268 52 P C -0.664 176.695 177.300 0.099 0.000 1.205 52 P CA -0.135 63.038 63.100 0.121 0.000 0.771 52 P CB 0.425 32.208 31.700 0.138 0.000 0.858 53 K N 3.783 124.256 120.400 0.121 0.000 2.451 53 K HA 0.011 4.336 4.320 0.008 0.000 0.280 53 K C -0.026 176.677 176.600 0.171 0.000 1.020 53 K CA 0.491 56.854 56.287 0.126 0.000 1.008 53 K CB 0.129 32.730 32.500 0.170 0.000 0.917 53 K HN 0.280 nan 8.250 nan 0.000 0.478 54 R N 5.195 125.781 120.500 0.144 0.000 2.490 54 R HA 0.203 4.548 4.340 0.008 0.000 0.280 54 R C -2.018 174.395 176.300 0.188 0.000 1.077 54 R CA -1.792 54.385 56.100 0.129 0.000 1.065 54 R CB 0.227 30.582 30.300 0.091 0.000 1.003 54 R HN 0.576 nan 8.270 nan 0.000 0.470 55 P HA -0.110 nan 4.420 nan 0.000 0.265 55 P C -1.041 176.312 177.300 0.088 0.000 1.187 55 P CA 0.180 63.248 63.100 -0.053 0.000 0.766 55 P CB 0.289 31.901 31.700 -0.148 0.000 0.820 56 W N 1.387 122.723 121.300 0.060 0.000 2.594 56 W HA 0.705 5.370 4.660 0.008 0.000 0.365 56 W C -0.485 176.062 176.519 0.046 0.000 1.196 56 W CA -0.877 56.500 57.345 0.053 0.000 1.258 56 W CB -0.013 29.487 29.460 0.065 0.000 1.405 56 W HN 0.386 nan 8.180 nan 0.000 0.640 57 S N 0.770 116.651 115.700 0.303 0.000 2.578 57 S HA 0.858 5.333 4.470 0.008 0.000 0.301 57 S C 0.218 174.984 174.600 0.276 0.000 1.091 57 S CA -0.073 58.227 58.200 0.167 0.000 1.032 57 S CB 1.007 64.268 63.200 0.103 0.000 1.064 57 S HN 2.171 nan 8.310 nan 0.000 0.508 58 G N 0.115 109.024 108.800 0.183 0.000 2.693 58 G HA2 -0.112 3.853 3.960 0.008 0.000 0.226 58 G HA3 -0.112 3.853 3.960 0.008 0.000 0.226 58 G C -0.802 174.269 174.900 0.285 0.000 1.354 58 G CA -0.412 44.801 45.100 0.188 0.000 0.873 58 G HN 1.697 nan 8.290 nan 0.000 0.562 59 V N 0.910 120.956 119.914 0.219 0.000 2.333 59 V HA 0.502 4.627 4.120 0.008 0.000 0.274 59 V C 0.937 177.147 176.094 0.194 0.000 1.028 59 V CA -0.223 62.219 62.300 0.237 0.000 0.851 59 V CB 1.052 32.965 31.823 0.150 0.000 1.000 59 V HN 0.829 nan 8.190 nan 0.000 0.456 60 L N 4.579 125.938 121.223 0.227 0.000 2.462 60 L HA 0.245 4.590 4.340 0.008 0.000 0.272 60 L C 0.679 177.552 176.870 0.004 0.000 1.166 60 L CA 0.240 55.045 54.840 -0.058 0.000 0.880 60 L CB 0.522 42.285 42.059 -0.492 0.000 1.142 60 L HN 0.682 nan 8.230 nan 0.000 0.473 61 D N 4.861 125.239 120.400 -0.037 0.000 2.371 61 D HA 0.136 4.781 4.640 0.008 0.000 0.256 61 D C -0.380 175.889 176.300 -0.051 0.000 1.193 61 D CA 0.107 54.091 54.000 -0.027 0.000 0.881 61 D CB 1.410 42.181 40.800 -0.048 0.000 1.143 61 D HN 0.681 nan 8.370 nan 0.000 0.473 62 A N 3.195 126.009 122.820 -0.010 0.000 3.154 62 A HA 0.211 4.536 4.320 0.008 0.000 0.310 62 A C 0.915 178.418 177.584 -0.135 0.000 1.093 62 A CA -0.430 51.592 52.037 -0.024 0.000 1.006 62 A CB -0.104 18.994 19.000 0.164 0.000 1.084 62 A HN 0.558 nan 8.150 nan 0.000 0.549 63 T N -3.234 111.217 114.554 -0.171 0.000 3.044 63 T HA 0.300 4.655 4.350 0.008 0.000 0.260 63 T C 0.568 175.105 174.700 -0.272 0.000 1.019 63 T CA 0.712 62.678 62.100 -0.223 0.000 0.921 63 T CB -0.190 68.582 68.868 -0.160 0.000 1.053 63 T HN 0.770 nan 8.240 nan 0.000 0.533 64 T N -0.616 113.771 114.554 -0.279 0.000 2.900 64 T HA 0.685 5.040 4.350 0.008 0.000 0.303 64 T C -0.814 173.703 174.700 -0.305 0.000 1.142 64 T CA -0.860 61.064 62.100 -0.293 0.000 1.007 64 T CB 0.950 69.722 68.868 -0.161 0.000 1.156 64 T HN -0.013 nan 8.240 nan 0.000 0.490 65 F N 2.139 122.015 119.950 -0.123 0.000 2.602 65 F HA 0.301 4.833 4.527 0.008 0.000 0.367 65 F C 1.456 177.148 175.800 -0.181 0.000 1.126 65 F CA 0.031 57.957 58.000 -0.124 0.000 1.321 65 F CB 0.402 39.356 39.000 -0.076 0.000 1.094 65 F HN 0.484 nan 8.300 nan 0.000 0.594 66 Q N 1.481 121.283 119.800 0.002 0.000 2.171 66 Q HA 0.210 4.555 4.340 0.008 0.000 0.217 66 Q C -0.141 175.773 176.000 -0.143 0.000 0.995 66 Q CA -0.775 54.867 55.803 -0.269 0.000 0.979 66 Q CB 0.585 28.881 28.738 -0.736 0.000 1.152 66 Q HN 0.512 nan 8.270 nan 0.000 0.525 67 N N -0.323 118.260 118.700 -0.196 0.000 2.283 67 N HA -0.042 4.703 4.740 0.008 0.000 0.236 67 N C -0.581 174.901 175.510 -0.047 0.000 1.252 67 N CA 0.237 53.229 53.050 -0.097 0.000 0.856 67 N CB 0.254 38.703 38.487 -0.064 0.000 1.099 67 N HN 0.173 nan 8.380 nan 0.000 0.444 68 V N 1.718 121.577 119.914 -0.092 0.000 2.509 68 V HA 0.110 4.235 4.120 0.008 0.000 0.284 68 V C 0.605 176.632 176.094 -0.110 0.000 1.047 68 V CA -0.877 61.357 62.300 -0.111 0.000 0.952 68 V CB 1.101 32.820 31.823 -0.174 0.000 0.988 68 V HN 0.706 nan 8.190 nan 0.000 0.469 69 c N 4.227 122.784 118.600 -0.073 0.000 2.657 69 c HA 0.109 4.684 4.570 0.008 0.000 0.420 69 c C 0.557 174.582 174.090 -0.108 0.000 1.323 69 c CA -0.587 55.704 56.329 -0.063 0.000 1.894 69 c CB -1.102 41.405 42.510 -0.004 0.000 2.681 69 c HN 0.748 nan 8.230 nan 0.000 0.613 70 Y N 3.692 123.826 120.300 -0.277 0.000 2.810 70 Y HA 0.171 4.725 4.550 0.008 0.000 0.332 70 Y C 0.894 176.773 175.900 -0.035 0.000 1.243 70 Y CA 1.147 59.073 58.100 -0.290 0.000 1.537 70 Y CB 0.166 38.206 38.460 -0.701 0.000 1.265 70 Y HN 0.746 nan 8.280 nan 0.000 0.572 71 Q N 3.802 123.662 119.800 0.099 0.000 2.578 71 Q HA 0.193 4.538 4.340 0.008 0.000 0.284 71 Q C -1.809 174.304 176.000 0.189 0.000 0.960 71 Q CA -1.238 54.705 55.803 0.232 0.000 0.809 71 Q CB 1.022 29.826 28.738 0.110 0.000 1.462 71 Q HN 0.599 nan 8.270 nan 0.000 0.392 72 Y N 1.175 121.561 120.300 0.142 0.000 2.712 72 Y HA 0.298 4.853 4.550 0.008 0.000 0.333 72 Y C -0.971 174.932 175.900 0.005 0.000 1.225 72 Y CA 0.445 58.578 58.100 0.055 0.000 1.499 72 Y CB 0.815 39.260 38.460 -0.025 0.000 1.288 72 Y HN 0.440 nan 8.280 nan 0.000 0.575 73 V N 6.888 126.272 119.914 -0.882 0.000 2.384 73 V HA 0.121 4.246 4.120 0.008 0.000 0.287 73 V C -0.446 175.069 176.094 -0.965 0.000 1.020 73 V CA -1.080 60.812 62.300 -0.679 0.000 0.850 73 V CB 1.370 32.973 31.823 -0.368 0.000 0.987 73 V HN 0.764 nan 8.190 nan 0.000 0.436 74 D N 3.783 123.900 120.400 -0.471 0.000 2.401 74 D HA 0.093 4.738 4.640 0.008 0.000 0.254 74 D C 0.894 177.158 176.300 -0.060 0.000 1.192 74 D CA 0.243 54.157 54.000 -0.144 0.000 0.885 74 D CB 1.233 42.109 40.800 0.126 0.000 1.147 74 D HN 0.707 nan 8.370 nan 0.000 0.478 75 T N 1.911 116.463 114.554 -0.004 0.000 3.296 75 T HA 0.079 4.434 4.350 0.008 0.000 0.285 75 T C 1.446 176.157 174.700 0.018 0.000 1.014 75 T CA -0.540 61.568 62.100 0.014 0.000 0.920 75 T CB -0.000 68.859 68.868 -0.015 0.000 1.143 75 T HN 0.222 nan 8.240 nan 0.000 0.522 76 L N 0.685 121.926 121.223 0.030 0.000 2.093 76 L HA 0.234 4.579 4.340 0.008 0.000 0.208 76 L C -0.390 176.190 176.870 -0.483 0.000 1.085 76 L CA 1.477 56.174 54.840 -0.238 0.000 0.755 76 L CB -0.291 41.585 42.059 -0.306 0.000 0.904 76 L HN 0.460 nan 8.230 nan 0.000 0.435 77 Y N -0.761 119.597 120.300 0.097 0.000 2.628 77 Y HA 0.395 4.949 4.550 0.008 0.000 0.354 77 Y C -2.240 173.717 175.900 0.094 0.000 1.061 77 Y CA -3.193 54.931 58.100 0.039 0.000 1.251 77 Y CB 0.098 38.502 38.460 -0.093 0.000 1.098 77 Y HN -0.014 nan 8.280 nan 0.000 0.626 78 P HA 0.047 nan 4.420 nan 0.000 0.258 78 P C 1.060 178.428 177.300 0.112 0.000 1.172 78 P CA 1.942 65.104 63.100 0.104 0.000 0.762 78 P CB 0.559 32.293 31.700 0.057 0.000 0.764 79 G N 2.802 111.654 108.800 0.086 0.000 2.241 79 G HA2 -0.289 3.676 3.960 0.008 0.000 0.244 79 G HA3 -0.289 3.676 3.960 0.008 0.000 0.244 79 G C -0.031 174.918 174.900 0.081 0.000 0.998 79 G CA -0.402 44.732 45.100 0.058 0.000 0.621 79 G HN 0.540 nan 8.290 nan 0.000 0.519 80 F N 2.572 122.495 119.950 -0.046 0.000 2.444 80 F HA 0.607 5.139 4.527 0.008 0.000 0.360 80 F C 1.414 177.134 175.800 -0.135 0.000 1.106 80 F CA -0.391 57.533 58.000 -0.127 0.000 1.170 80 F CB 1.308 40.211 39.000 -0.162 0.000 1.113 80 F HN 0.191 nan 8.300 nan 0.000 0.521 81 E N 4.162 123.981 120.200 -0.636 0.000 2.114 81 E HA -0.181 4.174 4.350 0.008 0.000 0.199 81 E C 2.220 178.395 176.600 -0.708 0.000 1.008 81 E CA 2.195 58.241 56.400 -0.591 0.000 0.810 81 E CB -0.583 28.803 29.700 -0.523 0.000 0.739 81 E HN 0.889 nan 8.360 nan 0.000 0.456 82 G N -1.106 106.773 108.800 -1.534 0.000 2.450 82 G HA2 -0.302 3.662 3.960 0.008 0.000 0.220 82 G HA3 -0.302 3.662 3.960 0.008 0.000 0.220 82 G C 1.691 176.717 174.900 0.209 0.000 1.130 82 G CA 1.723 46.252 45.100 -0.951 0.000 0.760 82 G HN 0.504 nan 8.290 nan 0.000 0.557 83 T N -1.405 113.271 114.554 0.203 0.000 2.983 83 T HA 0.098 4.453 4.350 0.008 0.000 0.250 83 T C 1.947 176.855 174.700 0.346 0.000 1.037 83 T CA 0.916 63.385 62.100 0.615 0.000 1.142 83 T CB -0.033 69.229 68.868 0.656 0.000 0.876 83 T HN 0.168 nan 8.240 nan 0.000 0.455 84 E N 2.405 122.659 120.200 0.090 0.000 2.153 84 E HA -0.123 4.231 4.350 0.008 0.000 0.194 84 E C 2.238 178.766 176.600 -0.120 0.000 0.988 84 E CA 1.438 57.829 56.400 -0.016 0.000 0.811 84 E CB -0.557 29.093 29.700 -0.084 0.000 0.746 84 E HN 0.800 nan 8.360 nan 0.000 0.466 85 M N -2.343 117.104 119.600 -0.254 0.000 2.460 85 M HA -0.039 4.445 4.480 0.008 0.000 0.263 85 M C 1.269 177.195 176.300 -0.624 0.000 1.071 85 M CA 1.332 56.332 55.300 -0.500 0.000 1.096 85 M CB -0.474 31.724 32.600 -0.670 0.000 1.408 85 M HN -0.018 nan 8.290 nan 0.000 0.463 86 W N 0.902 122.139 121.300 -0.105 0.000 3.211 86 W HA 0.281 4.945 4.660 0.007 0.000 0.292 86 W C 0.318 176.740 176.519 -0.162 0.000 1.268 86 W CA -0.852 56.407 57.345 -0.143 0.000 1.702 86 W CB -0.169 29.247 29.460 -0.074 0.000 1.092 86 W HN 0.109 nan 8.180 nan 0.000 0.643 87 N N 1.467 120.175 118.700 0.013 0.000 2.503 87 N HA 0.149 4.894 4.740 0.008 0.000 0.267 87 N C -2.393 173.038 175.510 -0.132 0.000 1.214 87 N CA -1.572 51.445 53.050 -0.054 0.000 0.959 87 N CB -0.121 38.333 38.487 -0.054 0.000 1.142 87 N HN -0.331 nan 8.380 nan 0.000 0.455 88 P HA 0.058 nan 4.420 nan 0.000 0.266 88 P C 0.238 177.433 177.300 -0.176 0.000 1.195 88 P CA 0.065 63.055 63.100 -0.184 0.000 0.768 88 P CB 0.376 31.960 31.700 -0.194 0.000 0.838 89 N N 1.772 120.358 118.700 -0.190 0.000 2.177 89 N HA 0.080 4.825 4.740 0.008 0.000 0.218 89 N C 0.201 175.630 175.510 -0.135 0.000 1.182 89 N CA 0.063 53.013 53.050 -0.167 0.000 0.882 89 N CB 0.451 38.822 38.487 -0.193 0.000 1.052 89 N HN 0.143 nan 8.380 nan 0.000 0.519 90 R N 0.338 120.755 120.500 -0.139 0.000 2.905 90 R HA 0.294 4.639 4.340 0.008 0.000 0.260 90 R C -0.537 175.688 176.300 -0.127 0.000 1.086 90 R CA -0.698 55.337 56.100 -0.109 0.000 0.978 90 R CB 0.899 31.145 30.300 -0.090 0.000 1.215 90 R HN 0.271 nan 8.270 nan 0.000 0.480 91 E N 1.400 121.531 120.200 -0.114 0.000 2.413 91 E HA 0.019 4.373 4.350 0.008 0.000 0.263 91 E C -0.443 176.055 176.600 -0.169 0.000 1.015 91 E CA -0.083 56.241 56.400 -0.127 0.000 0.916 91 E CB 0.541 30.184 29.700 -0.095 0.000 0.947 91 E HN 0.268 nan 8.360 nan 0.000 0.440 92 L N 3.445 124.518 121.223 -0.250 0.000 2.367 92 L HA 0.203 4.548 4.340 0.008 0.000 0.275 92 L C 0.353 177.065 176.870 -0.263 0.000 1.129 92 L CA 0.082 54.675 54.840 -0.412 0.000 0.839 92 L CB 0.972 42.522 42.059 -0.848 0.000 1.133 92 L HN 0.442 nan 8.230 nan 0.000 0.453 93 S N 1.209 116.832 115.700 -0.129 0.000 2.552 93 S HA 0.194 4.669 4.470 0.008 0.000 0.272 93 S C 0.276 174.896 174.600 0.034 0.000 1.150 93 S CA -0.670 57.566 58.200 0.060 0.000 0.849 93 S CB 1.684 64.889 63.200 0.008 0.000 1.113 93 S HN 0.744 nan 8.310 nan 0.000 0.458 94 E N 0.896 121.090 120.200 -0.010 0.000 2.274 94 E HA -0.071 4.283 4.350 0.008 0.000 0.194 94 E C -0.271 176.282 176.600 -0.079 0.000 0.996 94 E CA 0.564 56.872 56.400 -0.153 0.000 0.840 94 E CB 0.116 29.687 29.700 -0.215 0.000 0.772 94 E HN 0.545 nan 8.360 nan 0.000 0.491 95 D N 0.204 120.594 120.400 -0.018 0.000 2.470 95 D HA -0.010 4.635 4.640 0.008 0.000 0.226 95 D C 0.028 176.422 176.300 0.156 0.000 1.196 95 D CA -0.234 53.785 54.000 0.031 0.000 0.979 95 D CB -0.005 40.827 40.800 0.052 0.000 1.059 95 D HN 0.143 nan 8.370 nan 0.000 0.515 96 c N 2.428 121.090 118.600 0.104 0.000 4.095 96 c HA 0.359 4.934 4.570 0.008 0.000 0.327 96 c C 0.521 174.696 174.090 0.143 0.000 1.811 96 c CA -0.655 55.796 56.329 0.203 0.000 1.785 96 c CB -1.196 41.355 42.510 0.069 0.000 3.120 96 c HN 0.421 nan 8.230 nan 0.000 0.621 97 L N 2.664 123.721 121.223 -0.278 0.000 2.404 97 L HA 0.424 4.769 4.340 0.008 0.000 0.277 97 L C -0.971 175.317 176.870 -0.970 0.000 1.184 97 L CA 0.516 54.979 54.840 -0.628 0.000 1.013 97 L CB -0.558 40.964 42.059 -0.896 0.000 1.318 97 L HN 0.387 nan 8.230 nan 0.000 0.435 98 Y N 2.306 122.623 120.300 0.028 0.000 2.553 98 Y HA 0.631 5.186 4.550 0.008 0.000 0.347 98 Y C -0.116 175.998 175.900 0.358 0.000 1.019 98 Y CA -1.232 56.961 58.100 0.154 0.000 1.032 98 Y CB 1.999 40.481 38.460 0.037 0.000 1.284 98 Y HN 0.231 nan 8.280 nan 0.000 0.466 99 L N -0.290 121.117 121.223 0.305 0.000 2.257 99 L HA 0.792 5.137 4.340 0.008 0.000 0.257 99 L C -1.250 175.611 176.870 -0.014 0.000 1.033 99 L CA -1.222 53.658 54.840 0.067 0.000 0.835 99 L CB 1.593 43.487 42.059 -0.276 0.000 1.398 99 L HN 0.496 nan 8.230 nan 0.000 0.429 100 N N -0.337 118.350 118.700 -0.023 0.000 2.229 100 N HA 0.735 5.480 4.740 0.008 0.000 0.298 100 N C -1.601 173.809 175.510 -0.167 0.000 1.114 100 N CA -0.401 52.560 53.050 -0.149 0.000 0.776 100 N CB 2.884 41.307 38.487 -0.107 0.000 1.501 100 N HN 0.495 nan 8.380 nan 0.000 0.474 101 V N 1.318 121.056 119.914 -0.293 0.000 2.577 101 V HA 0.461 4.586 4.120 0.008 0.000 0.303 101 V C -0.880 175.134 176.094 -0.133 0.000 1.042 101 V CA -0.774 61.443 62.300 -0.138 0.000 0.872 101 V CB 2.320 33.934 31.823 -0.347 0.000 0.998 101 V HN 0.551 nan 8.190 nan 0.000 0.423 102 W N 2.952 124.333 121.300 0.134 0.000 2.573 102 W HA 0.687 5.352 4.660 0.009 0.000 0.326 102 W C 0.162 176.783 176.519 0.171 0.000 1.049 102 W CA -0.415 57.017 57.345 0.144 0.000 1.220 102 W CB 2.410 31.939 29.460 0.114 0.000 1.373 102 W HN 0.656 nan 8.180 nan 0.000 0.507 103 T N 0.299 115.098 114.554 0.407 0.000 2.896 103 T HA 0.519 4.874 4.350 0.008 0.000 0.297 103 T C -2.790 172.085 174.700 0.293 0.000 1.108 103 T CA -2.412 59.890 62.100 0.336 0.000 1.004 103 T CB 2.350 71.442 68.868 0.372 0.000 1.159 103 T HN -0.090 nan 8.240 nan 0.000 0.499 104 P HA 0.190 nan 4.420 nan 0.000 0.270 104 P C -1.547 175.902 177.300 0.249 0.000 1.221 104 P CA -0.114 63.108 63.100 0.204 0.000 0.788 104 P CB 0.107 31.895 31.700 0.146 0.000 0.904 105 Y N 1.616 121.972 120.300 0.092 0.000 2.346 105 Y HA 0.413 4.968 4.550 0.008 0.000 0.332 105 Y C -2.298 173.638 175.900 0.059 0.000 0.985 105 Y CA -2.503 55.645 58.100 0.080 0.000 1.112 105 Y CB 1.259 39.755 38.460 0.060 0.000 1.170 105 Y HN 0.323 nan 8.280 nan 0.000 0.447 106 P HA 0.172 nan 4.420 nan 0.000 0.270 106 P C -0.836 176.413 177.300 -0.085 0.000 1.223 106 P CA -0.213 62.675 63.100 -0.353 0.000 0.785 106 P CB 1.029 32.576 31.700 -0.255 0.000 0.923 107 R N 1.471 121.939 120.500 -0.054 0.000 2.698 107 R HA 0.138 4.482 4.340 0.008 0.000 0.266 107 R C -1.673 174.650 176.300 0.039 0.000 1.026 107 R CA -0.993 55.141 56.100 0.055 0.000 1.102 107 R CB -0.637 29.713 30.300 0.083 0.000 0.978 107 R HN 0.472 nan 8.270 nan 0.000 0.436 108 P HA -0.019 nan 4.420 nan 0.000 0.268 108 P C -0.352 176.965 177.300 0.028 0.000 1.205 108 P CA 0.160 63.288 63.100 0.047 0.000 0.771 108 P CB 0.978 32.715 31.700 0.062 0.000 0.858 109 A N 2.866 125.695 122.820 0.015 0.000 2.016 109 A HA 0.024 4.349 4.320 0.008 0.000 0.217 109 A C 1.148 178.735 177.584 0.006 0.000 1.162 109 A CA 1.122 53.162 52.037 0.005 0.000 0.662 109 A CB -0.688 18.312 19.000 -0.001 0.000 0.812 109 A HN 0.690 nan 8.150 nan 0.000 0.450 110 S N -0.487 115.220 115.700 0.012 0.000 2.593 110 S HA 0.634 5.108 4.470 0.008 0.000 0.297 110 S C -3.127 171.483 174.600 0.017 0.000 1.112 110 S CA -1.843 56.363 58.200 0.009 0.000 1.043 110 S CB 1.152 64.355 63.200 0.005 0.000 1.054 110 S HN 0.023 nan 8.310 nan 0.000 0.516 111 P HA 0.274 nan 4.420 nan 0.000 0.268 111 P C -0.667 176.648 177.300 0.025 0.000 1.204 111 P CA 0.043 63.156 63.100 0.021 0.000 0.768 111 P CB 0.336 32.041 31.700 0.008 0.000 0.842 112 T N 4.575 119.155 114.554 0.044 0.000 2.855 112 T HA 0.444 4.798 4.350 0.008 0.000 0.281 112 T C -2.499 172.231 174.700 0.049 0.000 1.007 112 T CA -1.819 60.309 62.100 0.047 0.000 1.009 112 T CB 1.031 69.940 68.868 0.069 0.000 0.983 112 T HN 0.151 nan 8.240 nan 0.000 0.455 113 P HA 0.173 nan 4.420 nan 0.000 0.265 113 P C -0.948 176.392 177.300 0.067 0.000 1.193 113 P CA -0.215 62.903 63.100 0.029 0.000 0.765 113 P CB 0.398 32.097 31.700 -0.002 0.000 0.823 114 V N 5.244 125.213 119.914 0.093 0.000 2.435 114 V HA 0.318 4.443 4.120 0.008 0.000 0.290 114 V C 0.312 176.493 176.094 0.145 0.000 1.030 114 V CA -0.485 61.896 62.300 0.135 0.000 0.881 114 V CB 1.204 33.122 31.823 0.159 0.000 0.983 114 V HN 0.367 nan 8.190 nan 0.000 0.445 115 L N 5.848 127.173 121.223 0.170 0.000 2.296 115 L HA 0.603 4.947 4.340 0.008 0.000 0.286 115 L C -0.662 176.449 176.870 0.402 0.000 1.023 115 L CA -0.307 54.660 54.840 0.212 0.000 0.812 115 L CB 1.656 43.743 42.059 0.048 0.000 1.223 115 L HN 0.509 nan 8.230 nan 0.000 0.421 116 I N 2.874 123.719 120.570 0.457 0.000 2.362 116 I HA 0.220 4.395 4.170 0.008 0.000 0.289 116 I C -0.601 175.820 176.117 0.507 0.000 0.994 116 I CA -0.415 61.134 61.300 0.416 0.000 1.158 116 I CB 1.460 39.579 38.000 0.197 0.000 1.315 116 I HN 0.626 nan 8.210 nan 0.000 0.451 117 W N 8.293 129.688 121.300 0.158 0.000 2.316 117 W HA 0.553 5.217 4.660 0.007 0.000 0.311 117 W C -1.377 175.033 176.519 -0.183 0.000 1.217 117 W CA -0.638 56.565 57.345 -0.237 0.000 1.199 117 W CB 1.093 30.465 29.460 -0.147 0.000 1.202 117 W HN 0.366 nan 8.180 nan 0.000 0.528 118 I N 9.222 129.208 120.570 -0.973 0.000 2.390 118 I HA 0.064 4.239 4.170 0.008 0.000 0.283 118 I C -0.141 175.137 176.117 -1.397 0.000 1.016 118 I CA -1.100 59.626 61.300 -0.956 0.000 1.151 118 I CB 0.458 38.083 38.000 -0.624 0.000 1.293 118 I HN 0.308 nan 8.210 nan 0.000 0.458 119 Y N 4.547 124.253 120.300 -0.989 0.000 2.511 119 Y HA 0.572 5.127 4.550 0.008 0.000 0.347 119 Y C 0.839 176.507 175.900 -0.386 0.000 1.257 119 Y CA -0.611 57.040 58.100 -0.748 0.000 1.469 119 Y CB -0.127 38.153 38.460 -0.299 0.000 1.353 119 Y HN 0.513 nan 8.280 nan 0.000 0.617 120 G N -1.047 107.726 108.800 -0.044 0.000 2.702 120 G HA2 0.496 4.461 3.960 0.008 0.000 0.254 120 G HA3 0.496 4.461 3.960 0.008 0.000 0.254 120 G C 0.282 175.106 174.900 -0.127 0.000 1.380 120 G CA -0.942 44.058 45.100 -0.167 0.000 1.042 120 G HN 1.732 nan 8.290 nan 0.000 0.557 121 G N -2.812 105.729 108.800 -0.431 0.000 2.192 121 G HA2 0.400 4.365 3.960 0.008 0.000 0.152 121 G HA3 0.400 4.365 3.960 0.008 0.000 0.152 121 G C 1.094 175.400 174.900 -0.989 0.000 1.057 121 G CA 0.725 45.460 45.100 -0.610 0.000 0.748 121 G HN 2.335 nan 8.290 nan 0.000 0.488 122 G N -0.569 107.737 108.800 -0.824 0.000 2.180 122 G HA2 -0.144 3.821 3.960 0.008 0.000 0.263 122 G HA3 -0.144 3.821 3.960 0.008 0.000 0.263 122 G C 0.926 175.724 174.900 -0.171 0.000 0.989 122 G CA 0.934 45.679 45.100 -0.592 0.000 0.692 122 G HN 1.810 nan 8.290 nan 0.000 0.526 123 F N -3.401 116.459 119.950 -0.151 0.000 2.794 123 F HA -0.285 4.247 4.527 0.008 0.000 0.335 123 F C 1.362 177.246 175.800 0.140 0.000 0.653 123 F CA 1.927 59.969 58.000 0.070 0.000 1.266 123 F CB -2.126 36.865 39.000 -0.015 0.000 1.666 123 F HN 0.885 nan 8.300 nan 0.000 0.314 124 Y N -1.196 119.086 120.300 -0.031 0.000 2.527 124 Y HA 0.692 5.247 4.550 0.008 0.000 0.247 124 Y C 0.539 176.398 175.900 -0.068 0.000 1.138 124 Y CA 0.027 57.974 58.100 -0.256 0.000 1.228 124 Y CB -0.078 37.732 38.460 -1.084 0.000 1.252 124 Y HN 0.118 nan 8.280 nan 0.000 0.531 125 S N -1.050 114.485 115.700 -0.275 0.000 2.655 125 S HA 0.849 5.324 4.470 0.008 0.000 0.266 125 S C -0.249 174.215 174.600 -0.226 0.000 1.149 125 S CA -0.488 57.596 58.200 -0.193 0.000 0.818 125 S CB 1.385 64.467 63.200 -0.197 0.000 1.130 125 S HN 1.405 nan 8.310 nan 0.000 0.476 126 G N -0.685 107.932 108.800 -0.306 0.000 2.459 126 G HA2 0.567 4.532 3.960 0.008 0.000 0.685 126 G HA3 0.567 4.532 3.960 0.008 0.000 0.685 126 G C -0.683 173.544 174.900 -1.121 0.000 1.303 126 G CA -0.250 44.482 45.100 -0.613 0.000 0.907 126 G HN 2.307 nan 8.290 nan 0.000 0.632 127 A N -0.926 121.057 122.820 -1.396 0.000 2.582 127 A HA 0.969 5.294 4.320 0.008 0.000 0.297 127 A C 0.514 177.890 177.584 -0.347 0.000 1.059 127 A CA 0.644 52.176 52.037 -0.841 0.000 0.705 127 A CB 0.894 19.653 19.000 -0.402 0.000 1.279 127 A HN 2.595 nan 8.150 nan 0.000 0.404 128 A N 0.738 123.583 122.820 0.041 0.000 2.235 128 A HA 0.283 4.608 4.320 0.008 0.000 0.208 128 A C 1.601 179.233 177.584 0.079 0.000 1.172 128 A CA 1.747 53.984 52.037 0.334 0.000 0.786 128 A CB -0.500 18.772 19.000 0.454 0.000 0.804 128 A HN 1.840 nan 8.150 nan 0.000 0.479 129 S N -0.774 114.721 115.700 -0.343 0.000 2.540 129 S HA 0.354 4.829 4.470 0.008 0.000 0.218 129 S C 0.400 174.552 174.600 -0.747 0.000 0.977 129 S CA -0.495 57.004 58.200 -1.168 0.000 0.918 129 S CB -0.523 61.851 63.200 -1.377 0.000 0.806 129 S HN 0.350 nan 8.310 nan 0.000 0.496 130 L N 2.456 123.416 121.223 -0.438 0.000 2.514 130 L HA 0.114 4.459 4.340 0.008 0.000 0.280 130 L C 1.176 177.730 176.870 -0.527 0.000 1.223 130 L CA -0.387 54.146 54.840 -0.512 0.000 0.864 130 L CB 0.173 41.813 42.059 -0.697 0.000 1.118 130 L HN 0.081 nan 8.230 nan 0.000 0.494 131 D N 1.309 121.439 120.400 -0.450 0.000 2.149 131 D HA -0.167 4.478 4.640 0.008 0.000 0.194 131 D C 1.961 177.982 176.300 -0.464 0.000 1.001 131 D CA 1.545 55.333 54.000 -0.354 0.000 0.849 131 D CB -0.082 40.546 40.800 -0.288 0.000 0.939 131 D HN 0.549 nan 8.370 nan 0.000 0.449 132 V N -1.564 117.920 119.914 -0.716 0.000 3.305 132 V HA -0.136 3.989 4.120 0.008 0.000 0.269 132 V C 0.997 176.507 176.094 -0.974 0.000 1.157 132 V CA 0.972 62.818 62.300 -0.757 0.000 1.157 132 V CB -1.157 30.173 31.823 -0.822 0.000 0.772 132 V HN 0.079 nan 8.190 nan 0.000 0.498 133 Y N 0.095 119.867 120.300 -0.880 0.000 2.571 133 Y HA 0.441 4.996 4.550 0.008 0.000 0.275 133 Y C 0.903 176.220 175.900 -0.971 0.000 1.179 133 Y CA -1.921 55.302 58.100 -1.463 0.000 1.242 133 Y CB -0.849 37.076 38.460 -0.891 0.000 1.126 133 Y HN 0.221 nan 8.280 nan 0.000 0.524 134 D N 0.995 121.100 120.400 -0.492 0.000 2.426 134 D HA -0.010 4.635 4.640 0.008 0.000 0.261 134 D C 1.431 177.356 176.300 -0.626 0.000 1.245 134 D CA 0.614 54.367 54.000 -0.411 0.000 0.917 134 D CB 1.202 41.902 40.800 -0.166 0.000 1.123 134 D HN 0.503 nan 8.370 nan 0.000 0.508 135 G N 4.106 111.850 108.800 -1.759 0.000 2.744 135 G HA2 -0.202 3.763 3.960 0.008 0.000 0.211 135 G HA3 -0.202 3.763 3.960 0.008 0.000 0.211 135 G C 1.533 175.826 174.900 -1.012 0.000 1.143 135 G CA 0.429 44.701 45.100 -1.381 0.000 0.788 135 G HN 0.622 nan 8.290 nan 0.000 0.534 136 R N -0.577 119.265 120.500 -1.097 0.000 2.105 136 R HA -0.038 4.307 4.340 0.008 0.000 0.239 136 R C 1.764 177.797 176.300 -0.446 0.000 1.135 136 R CA 1.433 57.155 56.100 -0.630 0.000 0.967 136 R CB -0.675 29.288 30.300 -0.562 0.000 0.861 136 R HN 0.321 nan 8.270 nan 0.000 0.442 137 F N 1.319 121.175 119.950 -0.158 0.000 2.187 137 F HA 0.077 4.609 4.527 0.009 0.000 0.295 137 F C 2.304 178.050 175.800 -0.091 0.000 1.091 137 F CA 0.688 58.625 58.000 -0.104 0.000 1.308 137 F CB -0.517 38.414 39.000 -0.116 0.000 1.030 137 F HN -0.126 nan 8.300 nan 0.000 0.487 138 L N -0.099 121.161 121.223 0.061 0.000 2.042 138 L HA -0.231 4.113 4.340 0.008 0.000 0.210 138 L C 2.728 179.612 176.870 0.022 0.000 1.076 138 L CA 1.259 56.095 54.840 -0.006 0.000 0.749 138 L CB -0.928 41.081 42.059 -0.083 0.000 0.893 138 L HN 0.186 nan 8.230 nan 0.000 0.432 139 A N -1.048 121.791 122.820 0.032 0.000 1.877 139 A HA -0.244 4.080 4.320 0.008 0.000 0.216 139 A C 2.281 179.913 177.584 0.081 0.000 1.186 139 A CA 1.602 53.695 52.037 0.093 0.000 0.620 139 A CB -0.513 18.588 19.000 0.169 0.000 0.822 139 A HN 0.394 nan 8.150 nan 0.000 0.443 140 Q N -0.134 119.696 119.800 0.051 0.000 2.049 140 Q HA -0.067 4.278 4.340 0.008 0.000 0.198 140 Q C 2.160 178.195 176.000 0.058 0.000 0.971 140 Q CA 1.969 57.806 55.803 0.057 0.000 0.833 140 Q CB -0.271 28.483 28.738 0.027 0.000 0.896 140 Q HN 0.405 nan 8.270 nan 0.000 0.434 141 V N 1.206 121.155 119.914 0.058 0.000 2.488 141 V HA -0.094 4.031 4.120 0.008 0.000 0.246 141 V C 1.554 177.666 176.094 0.030 0.000 1.046 141 V CA 1.459 63.786 62.300 0.045 0.000 1.053 141 V CB -0.097 31.752 31.823 0.044 0.000 0.679 141 V HN 0.227 nan 8.190 nan 0.000 0.458 142 E N -0.262 119.954 120.200 0.028 0.000 2.498 142 E HA 0.220 4.575 4.350 0.008 0.000 0.203 142 E C 1.684 178.304 176.600 0.034 0.000 1.013 142 E CA 0.665 57.078 56.400 0.020 0.000 0.927 142 E CB 0.536 30.239 29.700 0.005 0.000 1.012 142 E HN 0.552 nan 8.360 nan 0.000 0.482 143 G N 1.930 110.760 108.800 0.051 0.000 2.233 143 G HA2 -0.342 3.623 3.960 0.008 0.000 0.270 143 G HA3 -0.342 3.623 3.960 0.008 0.000 0.270 143 G C 0.583 175.529 174.900 0.076 0.000 1.011 143 G CA 0.522 45.662 45.100 0.067 0.000 0.762 143 G HN 0.481 nan 8.290 nan 0.000 0.511 144 A N -0.936 121.927 122.820 0.072 0.000 2.386 144 A HA 0.667 4.992 4.320 0.008 0.000 0.248 144 A C 0.542 178.207 177.584 0.135 0.000 1.082 144 A CA 0.178 52.264 52.037 0.082 0.000 0.789 144 A CB 1.059 20.090 19.000 0.052 0.000 1.025 144 A HN 1.085 nan 8.150 nan 0.000 0.490 145 V N 2.793 122.796 119.914 0.148 0.000 2.364 145 V HA 0.329 4.454 4.120 0.008 0.000 0.272 145 V C -0.052 176.179 176.094 0.228 0.000 1.036 145 V CA -0.056 62.364 62.300 0.199 0.000 0.880 145 V CB 0.663 32.597 31.823 0.185 0.000 0.991 145 V HN 0.716 nan 8.190 nan 0.000 0.460 146 L N 6.274 127.685 121.223 0.313 0.000 2.317 146 L HA 0.772 5.117 4.340 0.008 0.000 0.281 146 L C -0.789 176.366 176.870 0.475 0.000 1.024 146 L CA -0.206 54.870 54.840 0.394 0.000 0.810 146 L CB 1.842 44.133 42.059 0.386 0.000 1.240 146 L HN 0.439 nan 8.230 nan 0.000 0.427 147 V N 3.037 123.213 119.914 0.438 0.000 2.709 147 V HA 0.710 4.834 4.120 0.008 0.000 0.308 147 V C -0.661 175.674 176.094 0.403 0.000 1.062 147 V CA -0.430 62.079 62.300 0.347 0.000 0.901 147 V CB 2.102 34.060 31.823 0.225 0.000 1.003 147 V HN 0.855 nan 8.190 nan 0.000 0.425 148 S N 4.959 120.885 115.700 0.377 0.000 2.564 148 S HA 0.912 5.387 4.470 0.008 0.000 0.274 148 S C -0.919 173.825 174.600 0.240 0.000 1.124 148 S CA -0.820 57.609 58.200 0.383 0.000 0.869 148 S CB 2.435 65.989 63.200 0.591 0.000 1.105 148 S HN 0.958 nan 8.310 nan 0.000 0.472 149 M N 1.333 121.047 119.600 0.191 0.000 2.518 149 M HA 0.626 5.111 4.480 0.008 0.000 0.300 149 M C -1.943 174.570 176.300 0.354 0.000 1.175 149 M CA -0.541 54.853 55.300 0.157 0.000 0.890 149 M CB 1.433 33.945 32.600 -0.146 0.000 1.710 149 M HN 0.570 nan 8.290 nan 0.000 0.453 150 N N 3.107 122.079 118.700 0.453 0.000 2.514 150 N HA 0.526 5.271 4.740 0.008 0.000 0.277 150 N C -1.321 174.476 175.510 0.480 0.000 1.126 150 N CA 0.165 53.500 53.050 0.475 0.000 0.978 150 N CB 0.424 39.118 38.487 0.345 0.000 1.106 150 N HN 0.708 nan 8.380 nan 0.000 0.461 151 Y N -1.629 118.851 120.300 0.299 0.000 2.545 151 Y HA 0.577 5.132 4.550 0.008 0.000 0.348 151 Y C 0.089 176.138 175.900 0.248 0.000 1.002 151 Y CA -1.385 56.852 58.100 0.228 0.000 1.039 151 Y CB 0.889 39.424 38.460 0.125 0.000 1.271 151 Y HN 0.198 nan 8.280 nan 0.000 0.467 152 R N 1.756 122.414 120.500 0.263 0.000 2.570 152 R HA 0.449 4.794 4.340 0.008 0.000 0.277 152 R C -0.261 176.232 176.300 0.321 0.000 1.039 152 R CA -0.062 56.155 56.100 0.195 0.000 1.065 152 R CB 0.688 31.074 30.300 0.143 0.000 0.964 152 R HN 0.728 nan 8.270 nan 0.000 0.428 153 V N -0.086 120.050 119.914 0.370 0.000 3.181 153 V HA 0.888 5.012 4.120 0.008 0.000 0.314 153 V C 0.764 177.269 176.094 0.685 0.000 1.173 153 V CA -0.110 62.544 62.300 0.590 0.000 1.052 153 V CB 1.167 33.211 31.823 0.368 0.000 1.123 153 V HN 0.966 nan 8.190 nan 0.000 0.454 154 G N 1.589 110.879 108.800 0.816 0.000 2.564 154 G HA2 -0.293 3.672 3.960 0.008 0.000 0.273 154 G HA3 -0.293 3.672 3.960 0.008 0.000 0.273 154 G C 1.025 176.295 174.900 0.617 0.000 1.242 154 G CA 1.490 47.117 45.100 0.878 0.000 0.951 154 G HN 2.374 nan 8.290 nan 0.000 0.564 155 T N -1.791 112.850 114.554 0.146 0.000 2.746 155 T HA -0.043 4.312 4.350 0.008 0.000 0.267 155 T C 2.162 176.805 174.700 -0.095 0.000 1.039 155 T CA 2.551 64.425 62.100 -0.377 0.000 1.142 155 T CB -0.430 68.053 68.868 -0.642 0.000 0.866 155 T HN 0.623 nan 8.240 nan 0.000 0.444 156 F N 2.317 122.386 119.950 0.198 0.000 2.161 156 F HA 0.150 4.681 4.527 0.008 0.000 0.300 156 F C 2.795 178.631 175.800 0.059 0.000 1.089 156 F CA 1.003 59.057 58.000 0.089 0.000 1.282 156 F CB -1.040 37.977 39.000 0.029 0.000 1.010 156 F HN 0.384 nan 8.300 nan 0.000 0.485 157 G N -2.230 106.700 108.800 0.216 0.000 2.744 157 G HA2 0.038 4.003 3.960 0.008 0.000 0.211 157 G HA3 0.038 4.003 3.960 0.008 0.000 0.211 157 G C 0.893 175.320 174.900 -0.788 0.000 1.146 157 G CA 0.277 45.220 45.100 -0.263 0.000 0.787 157 G HN 0.373 nan 8.290 nan 0.000 0.534 158 F N -0.959 119.110 119.950 0.199 0.000 2.975 158 F HA 0.401 4.933 4.527 0.008 0.000 0.366 158 F C 0.506 176.364 175.800 0.098 0.000 1.071 158 F CA -0.983 57.103 58.000 0.143 0.000 1.102 158 F CB 0.283 39.399 39.000 0.193 0.000 1.176 158 F HN -0.091 nan 8.300 nan 0.000 0.545 159 L N 2.302 123.531 121.223 0.009 0.000 2.559 159 L HA 0.482 4.827 4.340 0.008 0.000 0.274 159 L C -0.071 176.733 176.870 -0.110 0.000 1.205 159 L CA 0.035 54.744 54.840 -0.218 0.000 0.907 159 L CB 0.440 42.079 42.059 -0.700 0.000 1.153 159 L HN 0.132 nan 8.230 nan 0.000 0.490 160 A N 6.305 129.108 122.820 -0.027 0.000 2.398 160 A HA 0.634 4.959 4.320 0.008 0.000 0.301 160 A C -1.051 176.501 177.584 -0.053 0.000 1.041 160 A CA -0.580 51.437 52.037 -0.033 0.000 0.711 160 A CB 1.266 20.283 19.000 0.029 0.000 1.240 160 A HN 0.715 nan 8.150 nan 0.000 0.420 161 L N 3.658 124.835 121.223 -0.076 0.000 2.417 161 L HA 0.315 4.660 4.340 0.008 0.000 0.258 161 L C -2.352 174.500 176.870 -0.031 0.000 1.088 161 L CA -1.733 53.072 54.840 -0.057 0.000 0.975 161 L CB 1.219 43.231 42.059 -0.077 0.000 1.341 161 L HN 0.402 nan 8.230 nan 0.000 0.431 162 P HA 0.031 nan 4.420 nan 0.000 0.258 162 P C 0.985 178.282 177.300 -0.006 0.000 1.172 162 P CA 0.908 64.004 63.100 -0.006 0.000 0.762 162 P CB 0.802 32.498 31.700 -0.006 0.000 0.764 163 G N 2.052 110.854 108.800 0.002 0.000 2.259 163 G HA2 -0.227 3.738 3.960 0.008 0.000 0.217 163 G HA3 -0.227 3.738 3.960 0.008 0.000 0.217 163 G C 0.417 175.318 174.900 0.002 0.000 1.001 163 G CA 0.169 45.271 45.100 0.003 0.000 0.627 163 G HN 0.766 nan 8.290 nan 0.000 0.501 164 S N -0.085 115.613 115.700 -0.003 0.000 2.600 164 S HA 0.605 5.079 4.470 0.008 0.000 0.265 164 S C 1.130 175.736 174.600 0.009 0.000 1.325 164 S CA 0.476 58.674 58.200 -0.002 0.000 1.002 164 S CB 1.966 65.158 63.200 -0.015 0.000 0.921 164 S HN 0.434 nan 8.310 nan 0.000 0.554 165 R N -0.018 120.490 120.500 0.014 0.000 2.189 165 R HA 0.080 4.424 4.340 0.008 0.000 0.203 165 R C 1.345 177.664 176.300 0.033 0.000 1.012 165 R CA 0.751 56.865 56.100 0.024 0.000 1.015 165 R CB -0.124 30.190 30.300 0.023 0.000 0.938 165 R HN 0.798 nan 8.270 nan 0.000 0.472 166 E N -0.516 119.702 120.200 0.031 0.000 2.371 166 E HA 0.072 4.427 4.350 0.008 0.000 0.194 166 E C -0.124 176.519 176.600 0.072 0.000 1.012 166 E CA 0.651 57.083 56.400 0.053 0.000 0.860 166 E CB 0.907 30.638 29.700 0.052 0.000 0.811 166 E HN 0.203 nan 8.360 nan 0.000 0.502 167 A N 0.741 123.577 122.820 0.027 0.000 3.422 167 A HA 0.292 4.617 4.320 0.008 0.000 0.271 167 A C -2.295 175.284 177.584 -0.009 0.000 1.104 167 A CA -0.893 51.145 52.037 0.002 0.000 0.899 167 A CB 0.429 19.346 19.000 -0.137 0.000 1.309 167 A HN -0.078 nan 8.150 nan 0.000 0.580 168 P HA 0.222 nan 4.420 nan 0.000 0.231 168 P C 0.908 178.222 177.300 0.024 0.000 1.168 168 P CA 1.680 64.794 63.100 0.024 0.000 0.779 168 P CB 0.278 32.003 31.700 0.042 0.000 0.844 169 G N 0.300 109.110 108.800 0.017 0.000 2.662 169 G HA2 -0.140 3.825 3.960 0.008 0.000 0.686 169 G HA3 -0.140 3.825 3.960 0.008 0.000 0.686 169 G C -0.223 174.671 174.900 -0.010 0.000 1.271 169 G CA -0.336 44.776 45.100 0.020 0.000 0.816 169 G HN 0.077 nan 8.290 nan 0.000 0.608 170 N N -2.388 116.300 118.700 -0.021 0.000 2.753 170 N HA -0.274 4.471 4.740 0.008 0.000 0.251 170 N C 1.864 177.227 175.510 -0.246 0.000 1.097 170 N CA 2.427 55.398 53.050 -0.131 0.000 0.786 170 N CB -1.659 36.691 38.487 -0.228 0.000 1.137 170 N HN 1.946 nan 8.380 nan 0.000 0.566 171 V N -2.610 117.160 119.914 -0.240 0.000 2.626 171 V HA 0.026 4.151 4.120 0.008 0.000 0.252 171 V C 2.269 178.247 176.094 -0.194 0.000 1.067 171 V CA 2.252 64.463 62.300 -0.148 0.000 1.081 171 V CB -0.803 30.982 31.823 -0.063 0.000 0.686 171 V HN 0.277 nan 8.190 nan 0.000 0.468 172 G N 0.615 109.103 108.800 -0.519 0.000 2.418 172 G HA2 -0.164 3.801 3.960 0.008 0.000 0.217 172 G HA3 -0.164 3.801 3.960 0.008 0.000 0.217 172 G C 1.544 176.435 174.900 -0.014 0.000 1.158 172 G CA 1.232 46.173 45.100 -0.264 0.000 0.771 172 G HN 0.540 nan 8.290 nan 0.000 0.545 173 L N -0.107 121.043 121.223 -0.120 0.000 2.083 173 L HA 0.018 4.363 4.340 0.008 0.000 0.209 173 L C 2.858 179.771 176.870 0.071 0.000 1.083 173 L CA 0.493 55.229 54.840 -0.174 0.000 0.752 173 L CB -0.364 41.229 42.059 -0.777 0.000 0.899 173 L HN 0.182 nan 8.230 nan 0.000 0.433 174 L N -0.485 120.782 121.223 0.074 0.000 2.131 174 L HA -0.208 4.137 4.340 0.008 0.000 0.210 174 L C 2.175 179.184 176.870 0.230 0.000 1.092 174 L CA 0.831 55.811 54.840 0.233 0.000 0.759 174 L CB -0.620 41.545 42.059 0.177 0.000 0.903 174 L HN 0.303 nan 8.230 nan 0.000 0.435 175 D N -0.046 120.478 120.400 0.206 0.000 2.097 175 D HA -0.194 4.450 4.640 0.008 0.000 0.195 175 D C 2.261 178.753 176.300 0.320 0.000 0.989 175 D CA 1.145 55.346 54.000 0.335 0.000 0.827 175 D CB -0.253 40.757 40.800 0.350 0.000 0.966 175 D HN 0.393 nan 8.370 nan 0.000 0.456 176 Q N 0.221 120.129 119.800 0.181 0.000 2.096 176 Q HA -0.163 4.182 4.340 0.008 0.000 0.204 176 Q C 2.292 178.302 176.000 0.016 0.000 0.982 176 Q CA 1.201 57.025 55.803 0.035 0.000 0.850 176 Q CB -0.128 28.625 28.738 0.025 0.000 0.901 176 Q HN 0.224 nan 8.270 nan 0.000 0.422 177 R N 0.656 121.273 120.500 0.196 0.000 2.081 177 R HA -0.167 4.178 4.340 0.008 0.000 0.235 177 R C 2.230 178.608 176.300 0.130 0.000 1.131 177 R CA 0.974 57.176 56.100 0.171 0.000 0.960 177 R CB -0.236 30.271 30.300 0.346 0.000 0.856 177 R HN 0.239 nan 8.270 nan 0.000 0.436 178 L N 1.003 122.341 121.223 0.192 0.000 2.012 178 L HA -0.094 4.251 4.340 0.008 0.000 0.210 178 L C 2.335 179.296 176.870 0.152 0.000 1.073 178 L CA 2.238 57.220 54.840 0.238 0.000 0.748 178 L CB -0.784 41.498 42.059 0.371 0.000 0.891 178 L HN 0.272 nan 8.230 nan 0.000 0.431 179 A N -0.514 122.219 122.820 -0.146 0.000 1.908 179 A HA -0.175 4.150 4.320 0.008 0.000 0.218 179 A C 2.238 179.783 177.584 -0.065 0.000 1.181 179 A CA 1.947 53.714 52.037 -0.451 0.000 0.627 179 A CB -0.924 17.525 19.000 -0.919 0.000 0.818 179 A HN 0.533 nan 8.150 nan 0.000 0.445 180 L N -1.033 120.163 121.223 -0.045 0.000 2.079 180 L HA -0.268 4.077 4.340 0.008 0.000 0.210 180 L C 2.799 179.729 176.870 0.099 0.000 1.081 180 L CA 1.670 56.522 54.840 0.021 0.000 0.752 180 L CB -0.768 41.269 42.059 -0.037 0.000 0.896 180 L HN 0.513 nan 8.230 nan 0.000 0.433 181 Q N -1.147 118.726 119.800 0.121 0.000 2.123 181 Q HA -0.230 4.114 4.340 0.008 0.000 0.199 181 Q C 2.058 178.161 176.000 0.173 0.000 0.966 181 Q CA 1.697 57.580 55.803 0.132 0.000 0.845 181 Q CB -0.221 28.599 28.738 0.137 0.000 0.907 181 Q HN 0.579 nan 8.270 nan 0.000 0.439 182 W N 0.342 121.665 121.300 0.038 0.000 2.402 182 W HA -0.160 4.505 4.660 0.008 0.000 0.286 182 W C 1.633 178.186 176.519 0.056 0.000 1.221 182 W CA 0.919 58.303 57.345 0.066 0.000 1.257 182 W CB 0.142 29.649 29.460 0.078 0.000 1.120 182 W HN -0.164 nan 8.180 nan 0.000 0.551 183 V N 0.947 121.087 119.914 0.376 0.000 2.323 183 V HA -0.306 3.818 4.120 0.008 0.000 0.244 183 V C 2.558 178.677 176.094 0.042 0.000 1.041 183 V CA 1.900 64.341 62.300 0.235 0.000 1.025 183 V CB -0.970 31.006 31.823 0.256 0.000 0.656 183 V HN 0.147 nan 8.190 nan 0.000 0.451 184 Q N -0.012 119.821 119.800 0.056 0.000 2.112 184 Q HA -0.292 4.053 4.340 0.008 0.000 0.206 184 Q C 2.229 178.201 176.000 -0.045 0.000 0.987 184 Q CA 2.316 58.132 55.803 0.022 0.000 0.858 184 Q CB -0.331 28.426 28.738 0.033 0.000 0.905 184 Q HN 0.818 nan 8.270 nan 0.000 0.420 185 E N -0.482 119.654 120.200 -0.107 0.000 2.170 185 E HA -0.065 4.290 4.350 0.008 0.000 0.191 185 E C 1.124 177.569 176.600 -0.257 0.000 0.981 185 E CA 0.610 56.914 56.400 -0.160 0.000 0.830 185 E CB 0.314 29.924 29.700 -0.151 0.000 0.775 185 E HN 0.284 nan 8.360 nan 0.000 0.470 186 N N -0.112 118.329 118.700 -0.431 0.000 2.257 186 N HA 0.005 4.750 4.740 0.008 0.000 0.200 186 N C 1.409 176.782 175.510 -0.228 0.000 1.163 186 N CA 0.026 52.768 53.050 -0.514 0.000 0.891 186 N CB 0.409 38.185 38.487 -1.185 0.000 1.067 186 N HN 0.129 nan 8.380 nan 0.000 0.497 187 I N 2.380 122.881 120.570 -0.114 0.000 2.454 187 I HA -0.095 4.079 4.170 0.008 0.000 0.254 187 I C 2.155 178.376 176.117 0.174 0.000 1.156 187 I CA 0.561 61.942 61.300 0.135 0.000 1.433 187 I CB -0.222 37.854 38.000 0.128 0.000 1.082 187 I HN 0.042 nan 8.210 nan 0.000 0.432 188 A N 0.321 123.167 122.820 0.044 0.000 1.978 188 A HA -0.130 4.195 4.320 0.008 0.000 0.220 188 A C 2.450 180.016 177.584 -0.031 0.000 1.170 188 A CA 1.517 53.562 52.037 0.013 0.000 0.636 188 A CB -1.090 17.895 19.000 -0.025 0.000 0.810 188 A HN 0.468 nan 8.150 nan 0.000 0.448 189 A N -1.841 120.914 122.820 -0.109 0.000 2.186 189 A HA 0.078 4.403 4.320 0.008 0.000 0.219 189 A C 1.398 178.720 177.584 -0.436 0.000 1.159 189 A CA 1.167 53.017 52.037 -0.310 0.000 0.680 189 A CB -0.629 18.080 19.000 -0.484 0.000 0.787 189 A HN 0.514 nan 8.150 nan 0.000 0.467 190 F N -1.775 118.133 119.950 -0.071 0.000 2.682 190 F HA 0.394 4.926 4.527 0.008 0.000 0.308 190 F C 1.667 177.480 175.800 0.021 0.000 1.093 190 F CA 0.431 58.411 58.000 -0.034 0.000 1.244 190 F CB 0.499 39.496 39.000 -0.004 0.000 1.052 190 F HN 0.291 nan 8.300 nan 0.000 0.573 191 G N 0.598 109.474 108.800 0.126 0.000 2.141 191 G HA2 -0.178 3.786 3.960 0.008 0.000 0.242 191 G HA3 -0.178 3.786 3.960 0.008 0.000 0.242 191 G C 0.587 175.555 174.900 0.113 0.000 0.982 191 G CA -0.197 44.961 45.100 0.096 0.000 0.662 191 G HN 0.713 nan 8.290 nan 0.000 0.527 192 G N -0.642 108.246 108.800 0.146 0.000 2.448 192 G HA2 0.492 4.456 3.960 0.008 0.000 0.285 192 G HA3 0.492 4.456 3.960 0.008 0.000 0.285 192 G C -0.766 174.184 174.900 0.084 0.000 1.176 192 G CA 0.204 45.380 45.100 0.127 0.000 0.852 192 G HN 0.227 nan 8.290 nan 0.000 0.530 193 D N 1.342 121.784 120.400 0.069 0.000 2.412 193 D HA 0.291 4.936 4.640 0.008 0.000 0.224 193 D C -1.151 175.186 176.300 0.061 0.000 1.093 193 D CA -2.398 51.627 54.000 0.041 0.000 0.850 193 D CB 1.958 42.764 40.800 0.010 0.000 1.046 193 D HN 0.049 nan 8.370 nan 0.000 0.507 194 P HA -0.090 nan 4.420 nan 0.000 0.225 194 P C 1.211 178.617 177.300 0.177 0.000 1.148 194 P CA 0.706 63.873 63.100 0.111 0.000 0.779 194 P CB 0.163 31.904 31.700 0.068 0.000 0.780 195 M N -1.307 118.325 119.600 0.054 0.000 2.561 195 M HA 0.073 4.558 4.480 0.008 0.000 0.238 195 M C 0.734 176.707 176.300 -0.546 0.000 1.131 195 M CA 0.604 55.841 55.300 -0.106 0.000 1.046 195 M CB 0.027 32.559 32.600 -0.114 0.000 1.532 195 M HN -0.157 nan 8.290 nan 0.000 0.497 196 S N 1.143 116.727 115.700 -0.193 0.000 2.389 196 S HA 0.457 4.932 4.470 0.008 0.000 0.201 196 S C -1.010 173.668 174.600 0.129 0.000 1.422 196 S CA -0.512 57.588 58.200 -0.166 0.000 1.216 196 S CB 0.527 63.651 63.200 -0.127 0.000 1.130 196 S HN 0.016 nan 8.310 nan 0.000 0.465 197 V N 4.187 124.364 119.914 0.438 0.000 2.443 197 V HA 0.511 4.636 4.120 0.008 0.000 0.293 197 V C -0.068 176.215 176.094 0.316 0.000 1.021 197 V CA -0.552 61.951 62.300 0.339 0.000 0.848 197 V CB 1.866 33.880 31.823 0.319 0.000 0.998 197 V HN 0.716 nan 8.190 nan 0.000 0.424 198 T N 6.578 121.260 114.554 0.214 0.000 2.758 198 T HA 0.588 4.943 4.350 0.008 0.000 0.285 198 T C -0.141 174.695 174.700 0.227 0.000 0.981 198 T CA -0.313 61.908 62.100 0.203 0.000 0.965 198 T CB 0.777 69.708 68.868 0.106 0.000 0.927 198 T HN 0.347 nan 8.240 nan 0.000 0.448 199 L N 4.941 126.264 121.223 0.167 0.000 2.349 199 L HA 0.641 4.986 4.340 0.008 0.000 0.275 199 L C -0.364 176.721 176.870 0.358 0.000 1.115 199 L CA -0.754 54.164 54.840 0.130 0.000 0.820 199 L CB 0.272 42.192 42.059 -0.232 0.000 1.135 199 L HN 0.617 nan 8.230 nan 0.000 0.445 200 F N 0.451 120.482 119.950 0.134 0.000 2.601 200 F HA 0.954 5.485 4.527 0.008 0.000 0.309 200 F C -0.286 175.550 175.800 0.060 0.000 1.089 200 F CA -1.496 56.633 58.000 0.214 0.000 0.940 200 F CB 1.467 40.735 39.000 0.447 0.000 1.273 200 F HN 0.459 nan 8.300 nan 0.000 0.450 201 G N 1.043 109.766 108.800 -0.128 0.000 2.649 201 G HA2 0.528 4.492 3.960 0.008 0.000 0.290 201 G HA3 0.528 4.492 3.960 0.008 0.000 0.290 201 G C -2.351 172.355 174.900 -0.322 0.000 1.426 201 G CA -0.721 43.911 45.100 -0.779 0.000 0.794 201 G HN 0.887 nan 8.290 nan 0.000 0.483 205 G N 0.682 109.248 108.800 -0.390 0.000 2.446 205 G HA2 0.079 4.043 3.960 0.008 0.000 0.217 205 G HA3 0.079 4.043 3.960 0.008 0.000 0.217 205 G C 1.671 176.381 174.900 -0.316 0.000 1.168 205 G CA 1.895 46.724 45.100 -0.451 0.000 0.771 205 G HN 1.245 nan 8.290 nan 0.000 0.551 206 A N 1.137 123.838 122.820 -0.199 0.000 1.898 206 A HA 0.313 4.638 4.320 0.008 0.000 0.216 206 A C 2.838 180.386 177.584 -0.061 0.000 1.181 206 A CA 2.213 54.198 52.037 -0.087 0.000 0.620 206 A CB -0.849 18.149 19.000 -0.004 0.000 0.819 206 A HN 0.808 nan 8.150 nan 0.000 0.442 207 A N -0.459 122.342 122.820 -0.030 0.000 1.908 207 A HA -0.111 4.213 4.320 0.008 0.000 0.218 207 A C 2.448 180.020 177.584 -0.019 0.000 1.181 207 A CA 2.175 54.186 52.037 -0.044 0.000 0.627 207 A CB -1.010 17.963 19.000 -0.045 0.000 0.818 207 A HN 0.447 nan 8.150 nan 0.000 0.445 208 S N -0.495 115.198 115.700 -0.011 0.000 2.359 208 S HA -0.188 4.287 4.470 0.008 0.000 0.223 208 S C 1.927 176.495 174.600 -0.054 0.000 1.039 208 S CA 1.628 59.790 58.200 -0.062 0.000 1.042 208 S CB -0.664 62.440 63.200 -0.160 0.000 0.915 208 S HN 0.360 nan 8.310 nan 0.000 0.439 209 V N 1.529 121.412 119.914 -0.053 0.000 2.282 209 V HA -0.220 3.905 4.120 0.008 0.000 0.249 209 V C 2.590 178.671 176.094 -0.021 0.000 1.057 209 V CA 2.064 64.339 62.300 -0.042 0.000 1.032 209 V CB -1.502 30.272 31.823 -0.081 0.000 0.645 209 V HN 0.625 nan 8.190 nan 0.000 0.447 210 G N -1.212 107.569 108.800 -0.030 0.000 2.432 210 G HA2 -0.266 3.699 3.960 0.008 0.000 0.219 210 G HA3 -0.266 3.699 3.960 0.008 0.000 0.219 210 G C 1.597 176.505 174.900 0.012 0.000 1.135 210 G CA 1.006 46.094 45.100 -0.021 0.000 0.767 210 G HN 0.464 nan 8.290 nan 0.000 0.550 211 M N -0.280 119.308 119.600 -0.019 0.000 2.319 211 M HA 0.068 4.553 4.480 0.008 0.000 0.265 211 M C 2.252 178.611 176.300 0.098 0.000 1.068 211 M CA 0.696 56.011 55.300 0.025 0.000 1.118 211 M CB -0.143 32.435 32.600 -0.036 0.000 1.395 211 M HN 0.189 nan 8.290 nan 0.000 0.435 212 H N -0.014 119.165 119.070 0.183 0.000 2.389 212 H HA -0.026 4.534 4.556 0.008 0.000 0.299 212 H C 2.123 177.655 175.328 0.341 0.000 1.081 212 H CA 1.427 57.605 56.048 0.216 0.000 1.345 212 H CB -0.283 29.488 29.762 0.015 0.000 1.393 212 H HN 0.405 nan 8.280 nan 0.000 0.520 213 I N 0.720 121.541 120.570 0.418 0.000 2.264 213 I HA -0.246 3.929 4.170 0.008 0.000 0.248 213 I C 1.936 178.238 176.117 0.308 0.000 1.111 213 I CA 1.040 62.605 61.300 0.441 0.000 1.382 213 I CB -0.098 38.059 38.000 0.263 0.000 1.060 213 I HN 0.135 nan 8.210 nan 0.000 0.418 214 L N -0.803 120.552 121.223 0.221 0.000 2.591 214 L HA 0.065 4.410 4.340 0.008 0.000 0.228 214 L C 0.914 177.845 176.870 0.103 0.000 1.133 214 L CA 0.112 55.063 54.840 0.185 0.000 0.880 214 L CB 0.017 42.160 42.059 0.141 0.000 1.033 214 L HN 0.032 nan 8.230 nan 0.000 0.450 215 S N -0.202 115.533 115.700 0.057 0.000 2.669 215 S HA 0.210 4.684 4.470 0.008 0.000 0.315 215 S C 0.609 175.146 174.600 -0.104 0.000 1.106 215 S CA -0.625 57.501 58.200 -0.125 0.000 1.107 215 S CB 1.205 64.118 63.200 -0.479 0.000 0.990 215 S HN 0.143 nan 8.310 nan 0.000 0.471 216 L N 7.345 128.516 121.223 -0.086 0.000 2.051 216 L HA 0.059 4.404 4.340 0.008 0.000 0.214 216 L C -1.157 175.669 176.870 -0.074 0.000 1.076 216 L CA 2.290 57.091 54.840 -0.065 0.000 0.758 216 L CB -1.118 40.903 42.059 -0.063 0.000 0.890 216 L HN 0.481 nan 8.230 nan 0.000 0.433 217 P HA -0.038 nan 4.420 nan 0.000 0.228 217 P C 1.465 178.748 177.300 -0.028 0.000 1.151 217 P CA 1.133 64.188 63.100 -0.075 0.000 0.770 217 P CB 0.031 31.673 31.700 -0.097 0.000 0.786 218 S N -0.998 114.706 115.700 0.006 0.000 2.478 218 S HA 0.064 4.539 4.470 0.008 0.000 0.222 218 S C 1.787 176.482 174.600 0.159 0.000 1.008 218 S CA 0.193 58.498 58.200 0.175 0.000 0.928 218 S CB -0.255 63.196 63.200 0.418 0.000 0.781 218 S HN 0.061 nan 8.310 nan 0.000 0.518 219 R N 2.040 122.533 120.500 -0.011 0.000 2.189 219 R HA 0.028 4.373 4.340 0.008 0.000 0.223 219 R C 2.133 178.195 176.300 -0.396 0.000 1.092 219 R CA 1.172 57.098 56.100 -0.289 0.000 0.989 219 R CB -0.915 29.280 30.300 -0.175 0.000 0.876 219 R HN 0.549 nan 8.270 nan 0.000 0.457 220 S N -0.295 115.283 115.700 -0.203 0.000 2.603 220 S HA 0.091 4.565 4.470 0.008 0.000 0.220 220 S C 1.678 176.165 174.600 -0.189 0.000 0.967 220 S CA 0.156 58.244 58.200 -0.187 0.000 0.920 220 S CB -0.099 63.046 63.200 -0.093 0.000 0.773 220 S HN 0.207 nan 8.310 nan 0.000 0.529 221 L N 0.384 121.524 121.223 -0.139 0.000 2.640 221 L HA 0.481 4.825 4.340 0.008 0.000 0.230 221 L C 0.060 176.938 176.870 0.013 0.000 1.123 221 L CA -0.280 54.551 54.840 -0.014 0.000 0.900 221 L CB -0.127 41.989 42.059 0.094 0.000 1.146 221 L HN 0.509 nan 8.230 nan 0.000 0.484 222 F N -4.098 115.658 119.950 -0.324 0.000 2.741 222 F HA 0.444 4.976 4.527 0.007 0.000 0.313 222 F C 0.249 175.728 175.800 -0.534 0.000 1.153 222 F CA -1.022 56.763 58.000 -0.359 0.000 0.931 222 F CB 0.947 39.887 39.000 -0.101 0.000 1.335 222 F HN -0.149 nan 8.300 nan 0.000 0.460 223 H N -1.139 118.018 119.070 0.145 0.000 3.091 223 H HA 0.520 5.080 4.556 0.008 0.000 0.249 223 H C -0.106 175.280 175.328 0.096 0.000 0.985 223 H CA -0.128 55.923 56.048 0.005 0.000 1.177 223 H CB 0.719 30.477 29.762 -0.008 0.000 1.456 223 H HN 0.389 nan 8.280 nan 0.000 0.467 224 R N 0.059 120.773 120.500 0.357 0.000 2.799 224 R HA 0.801 5.146 4.340 0.008 0.000 0.270 224 R C -1.617 174.925 176.300 0.404 0.000 1.010 224 R CA -0.859 55.405 56.100 0.272 0.000 0.916 224 R CB 2.627 32.890 30.300 -0.061 0.000 1.228 224 R HN 0.165 nan 8.270 nan 0.000 0.469 225 A N 1.015 124.095 122.820 0.434 0.000 2.547 225 A HA 0.609 4.934 4.320 0.008 0.000 0.297 225 A C -1.553 176.179 177.584 0.247 0.000 1.056 225 A CA -0.563 51.652 52.037 0.298 0.000 0.688 225 A CB 1.834 20.954 19.000 0.199 0.000 1.282 225 A HN 0.296 nan 8.150 nan 0.000 0.400 226 V N 2.196 122.224 119.914 0.191 0.000 2.448 226 V HA 0.543 4.668 4.120 0.008 0.000 0.295 226 V C -1.045 175.150 176.094 0.168 0.000 1.025 226 V CA -0.346 62.019 62.300 0.107 0.000 0.859 226 V CB 1.247 33.166 31.823 0.160 0.000 0.988 226 V HN 0.679 nan 8.190 nan 0.000 0.431 227 L N 5.236 126.526 121.223 0.111 0.000 2.318 227 L HA 0.500 4.845 4.340 0.008 0.000 0.277 227 L C 0.013 176.985 176.870 0.169 0.000 1.008 227 L CA 0.032 54.932 54.840 0.100 0.000 0.846 227 L CB 1.504 43.573 42.059 0.017 0.000 1.220 227 L HN 0.621 nan 8.230 nan 0.000 0.423 228 Q N 1.963 121.916 119.800 0.256 0.000 2.331 228 Q HA 0.416 4.760 4.340 0.008 0.000 0.257 228 Q C 0.194 176.307 176.000 0.188 0.000 0.957 228 Q CA -0.501 55.509 55.803 0.345 0.000 0.923 228 Q CB 1.169 30.210 28.738 0.505 0.000 1.212 228 Q HN 0.625 nan 8.270 nan 0.000 0.443 229 S N 1.066 116.851 115.700 0.143 0.000 3.631 229 S HA -0.167 4.307 4.470 0.008 0.000 0.366 229 S C 0.072 174.722 174.600 0.083 0.000 0.993 229 S CA 0.496 58.754 58.200 0.096 0.000 1.167 229 S CB -1.269 61.983 63.200 0.086 0.000 0.909 229 S HN 1.006 nan 8.310 nan 0.000 0.478 230 G N -0.525 108.341 108.800 0.111 0.000 2.519 230 G HA2 0.666 4.631 3.960 0.008 0.000 0.292 230 G HA3 0.666 4.631 3.960 0.008 0.000 0.292 230 G C -0.937 174.001 174.900 0.063 0.000 1.507 230 G CA 0.181 45.408 45.100 0.212 0.000 0.806 230 G HN 1.091 nan 8.290 nan 0.000 0.523 231 T N -1.658 112.872 114.554 -0.039 0.000 2.889 231 T HA 0.716 5.071 4.350 0.008 0.000 0.315 231 T C -2.450 172.086 174.700 -0.273 0.000 1.291 231 T CA -1.257 60.757 62.100 -0.143 0.000 1.028 231 T CB 2.825 71.612 68.868 -0.135 0.000 1.235 231 T HN 0.270 nan 8.240 nan 0.000 0.491 232 P HA -0.021 nan 4.420 nan 0.000 0.219 232 P C 0.408 177.555 177.300 -0.255 0.000 1.150 232 P CA 0.777 63.752 63.100 -0.208 0.000 0.814 232 P CB -0.132 31.502 31.700 -0.110 0.000 0.787 233 N N 0.435 119.005 118.700 -0.217 0.000 2.347 233 N HA 0.318 5.063 4.740 0.008 0.000 0.253 233 N C 0.770 176.097 175.510 -0.305 0.000 1.274 233 N CA 0.553 53.480 53.050 -0.205 0.000 0.941 233 N CB 0.144 38.555 38.487 -0.128 0.000 1.200 233 N HN 0.221 nan 8.380 nan 0.000 0.514 234 G N -0.954 107.692 108.800 -0.257 0.000 2.525 234 G HA2 -0.110 3.855 3.960 0.008 0.000 0.685 234 G HA3 -0.110 3.855 3.960 0.008 0.000 0.685 234 G C -2.412 172.292 174.900 -0.327 0.000 1.290 234 G CA -0.277 44.638 45.100 -0.309 0.000 0.915 234 G HN 0.501 nan 8.290 nan 0.000 0.548 235 P HA 0.141 nan 4.420 nan 0.000 0.235 235 P C 1.578 178.864 177.300 -0.023 0.000 1.177 235 P CA 1.919 64.942 63.100 -0.130 0.000 0.785 235 P CB -0.020 31.597 31.700 -0.138 0.000 0.885 236 W N -1.407 119.869 121.300 -0.040 0.000 2.915 236 W HA 0.560 5.224 4.660 0.007 0.000 0.276 236 W C 1.135 177.693 176.519 0.065 0.000 1.215 236 W CA 0.451 57.814 57.345 0.030 0.000 1.514 236 W CB -0.962 28.549 29.460 0.084 0.000 1.017 236 W HN -0.168 nan 8.180 nan 0.000 0.598 237 A N 1.830 124.306 122.820 -0.573 0.000 2.119 237 A HA 0.116 4.441 4.320 0.008 0.000 0.216 237 A C 1.128 178.561 177.584 -0.252 0.000 1.152 237 A CA 1.763 53.537 52.037 -0.438 0.000 0.708 237 A CB -0.800 17.681 19.000 -0.865 0.000 0.805 237 A HN 0.247 nan 8.150 nan 0.000 0.460 238 T N -3.240 111.180 114.554 -0.224 0.000 2.883 238 T HA 0.623 4.978 4.350 0.008 0.000 0.296 238 T C -0.616 174.001 174.700 -0.139 0.000 1.117 238 T CA -0.121 61.861 62.100 -0.196 0.000 1.006 238 T CB 1.473 70.238 68.868 -0.173 0.000 1.191 238 T HN 0.839 nan 8.240 nan 0.000 0.508 239 V N -1.263 118.574 119.914 -0.128 0.000 3.102 239 V HA 0.926 5.050 4.120 0.008 0.000 0.312 239 V C 0.272 176.317 176.094 -0.082 0.000 1.135 239 V CA -0.881 61.356 62.300 -0.104 0.000 1.022 239 V CB 1.346 33.097 31.823 -0.121 0.000 1.056 239 V HN 1.369 nan 8.190 nan 0.000 0.436 240 S N 1.242 116.900 115.700 -0.070 0.000 2.603 240 S HA 0.636 5.111 4.470 0.008 0.000 0.268 240 S C 1.361 175.933 174.600 -0.046 0.000 1.317 240 S CA 0.081 58.249 58.200 -0.053 0.000 1.012 240 S CB 1.299 64.470 63.200 -0.049 0.000 0.926 240 S HN 1.927 nan 8.310 nan 0.000 0.539 241 A N 2.436 125.237 122.820 -0.033 0.000 1.883 241 A HA 0.074 4.399 4.320 0.008 0.000 0.217 241 A C 2.209 179.775 177.584 -0.031 0.000 1.186 241 A CA 1.950 53.972 52.037 -0.025 0.000 0.624 241 A CB -1.904 17.087 19.000 -0.016 0.000 0.822 241 A HN 1.194 nan 8.150 nan 0.000 0.444 242 G N -0.489 108.291 108.800 -0.035 0.000 2.421 242 G HA2 -0.267 3.698 3.960 0.008 0.000 0.216 242 G HA3 -0.267 3.698 3.960 0.008 0.000 0.216 242 G C 1.472 176.342 174.900 -0.050 0.000 1.171 242 G CA 1.427 46.504 45.100 -0.038 0.000 0.775 242 G HN 0.585 nan 8.290 nan 0.000 0.543 243 E N 1.081 121.245 120.200 -0.061 0.000 2.110 243 E HA 0.044 4.399 4.350 0.008 0.000 0.193 243 E C 2.613 179.157 176.600 -0.095 0.000 0.988 243 E CA 1.486 57.836 56.400 -0.082 0.000 0.804 243 E CB -0.581 29.064 29.700 -0.092 0.000 0.745 243 E HN 0.292 nan 8.360 nan 0.000 0.458 244 A N 0.807 123.582 122.820 -0.075 0.000 1.930 244 A HA -0.149 4.176 4.320 0.008 0.000 0.217 244 A C 2.281 179.850 177.584 -0.025 0.000 1.175 244 A CA 1.656 53.659 52.037 -0.056 0.000 0.627 244 A CB -0.614 18.374 19.000 -0.020 0.000 0.815 244 A HN 0.288 nan 8.150 nan 0.000 0.443 245 R N -0.328 120.153 120.500 -0.031 0.000 2.080 245 R HA -0.171 4.174 4.340 0.008 0.000 0.236 245 R C 2.444 178.724 176.300 -0.034 0.000 1.137 245 R CA 1.810 57.892 56.100 -0.030 0.000 0.943 245 R CB -0.379 29.902 30.300 -0.032 0.000 0.846 245 R HN 0.506 nan 8.270 nan 0.000 0.431 246 R N 0.478 120.950 120.500 -0.047 0.000 2.083 246 R HA -0.176 4.169 4.340 0.008 0.000 0.237 246 R C 2.254 178.520 176.300 -0.058 0.000 1.137 246 R CA 2.116 58.183 56.100 -0.054 0.000 0.951 246 R CB -0.162 30.098 30.300 -0.067 0.000 0.851 246 R HN 0.312 nan 8.270 nan 0.000 0.434 247 R N -0.191 120.257 120.500 -0.086 0.000 2.073 247 R HA -0.068 4.277 4.340 0.008 0.000 0.234 247 R C 2.400 178.736 176.300 0.061 0.000 1.134 247 R CA 1.428 57.461 56.100 -0.112 0.000 0.952 247 R CB -0.415 29.676 30.300 -0.349 0.000 0.850 247 R HN 0.263 nan 8.270 nan 0.000 0.433 248 A N 0.527 123.429 122.820 0.135 0.000 1.933 248 A HA -0.137 4.188 4.320 0.008 0.000 0.218 248 A C 2.131 179.721 177.584 0.009 0.000 1.175 248 A CA 1.837 53.947 52.037 0.121 0.000 0.628 248 A CB -0.724 18.281 19.000 0.008 0.000 0.814 248 A HN 0.280 nan 8.150 nan 0.000 0.444 249 T N -0.014 114.534 114.554 -0.010 0.000 2.777 249 T HA -0.100 4.255 4.350 0.008 0.000 0.266 249 T C 1.825 176.514 174.700 -0.018 0.000 1.040 249 T CA 1.416 63.499 62.100 -0.028 0.000 1.141 249 T CB -0.314 68.535 68.868 -0.031 0.000 0.868 249 T HN 0.314 nan 8.240 nan 0.000 0.444 250 L N 1.257 122.475 121.223 -0.008 0.000 2.017 250 L HA 0.082 4.427 4.340 0.008 0.000 0.208 250 L C 2.201 179.081 176.870 0.018 0.000 1.073 250 L CA 1.461 56.299 54.840 -0.004 0.000 0.745 250 L CB -0.921 41.128 42.059 -0.018 0.000 0.894 250 L HN 0.204 nan 8.230 nan 0.000 0.432 251 L N -0.090 121.170 121.223 0.061 0.000 2.042 251 L HA -0.145 4.200 4.340 0.008 0.000 0.210 251 L C 2.515 179.378 176.870 -0.012 0.000 1.076 251 L CA 2.119 57.005 54.840 0.077 0.000 0.749 251 L CB -0.941 41.221 42.059 0.171 0.000 0.893 251 L HN 0.289 nan 8.230 nan 0.000 0.432 252 A N -0.096 122.703 122.820 -0.034 0.000 1.892 252 A HA -0.287 4.037 4.320 0.008 0.000 0.218 252 A C 2.394 179.944 177.584 -0.056 0.000 1.188 252 A CA 2.243 54.246 52.037 -0.057 0.000 0.631 252 A CB -0.669 18.294 19.000 -0.062 0.000 0.822 252 A HN 0.561 nan 8.150 nan 0.000 0.447 253 R N -0.545 119.930 120.500 -0.042 0.000 2.083 253 R HA -0.062 4.283 4.340 0.008 0.000 0.237 253 R C 2.070 178.333 176.300 -0.062 0.000 1.137 253 R CA 1.529 57.604 56.100 -0.041 0.000 0.951 253 R CB -0.608 29.676 30.300 -0.026 0.000 0.851 253 R HN 0.536 nan 8.270 nan 0.000 0.434 254 L N 0.784 121.966 121.223 -0.068 0.000 2.187 254 L HA -0.133 4.212 4.340 0.008 0.000 0.213 254 L C 2.089 178.759 176.870 -0.334 0.000 1.100 254 L CA 0.971 55.739 54.840 -0.120 0.000 0.765 254 L CB -0.406 41.641 42.059 -0.019 0.000 0.904 254 L HN 0.203 nan 8.230 nan 0.000 0.437 255 V N -4.220 115.514 119.914 -0.299 0.000 3.578 255 V HA 0.522 4.647 4.120 0.008 0.000 0.290 255 V C 1.055 177.077 176.094 -0.121 0.000 1.376 255 V CA 0.271 62.390 62.300 -0.301 0.000 1.083 255 V CB 0.029 31.715 31.823 -0.228 0.000 0.911 255 V HN 0.430 nan 8.190 nan 0.000 0.433 256 G N -0.625 108.123 108.800 -0.086 0.000 2.167 256 G HA2 -0.166 3.799 3.960 0.008 0.000 0.194 256 G HA3 -0.166 3.799 3.960 0.008 0.000 0.194 256 G C -0.135 174.747 174.900 -0.031 0.000 1.027 256 G CA -0.117 44.957 45.100 -0.043 0.000 0.717 256 G HN 0.713 nan 8.290 nan 0.000 0.501 266 D N 1.573 121.961 120.400 -0.020 0.000 2.144 266 D HA -0.084 4.561 4.640 0.008 0.000 0.199 266 D C 1.450 177.736 176.300 -0.023 0.000 0.984 266 D CA 1.706 55.688 54.000 -0.029 0.000 0.834 266 D CB 0.109 40.892 40.800 -0.030 0.000 0.955 266 D HN 0.565 nan 8.370 nan 0.000 0.465 267 T N 0.974 115.522 114.554 -0.011 0.000 2.788 267 T HA -0.126 4.229 4.350 0.008 0.000 0.268 267 T C 1.772 176.473 174.700 0.002 0.000 1.044 267 T CA 1.161 63.260 62.100 -0.000 0.000 1.139 267 T CB -0.097 68.774 68.868 0.004 0.000 0.867 267 T HN 0.325 nan 8.240 nan 0.000 0.454 268 E N 0.606 120.804 120.200 -0.003 0.000 2.076 268 E HA 0.050 4.405 4.350 0.008 0.000 0.190 268 E C 2.212 178.810 176.600 -0.005 0.000 0.979 268 E CA 0.446 56.845 56.400 -0.001 0.000 0.807 268 E CB -0.241 29.457 29.700 -0.003 0.000 0.761 268 E HN 0.316 nan 8.360 nan 0.000 0.454 269 L N 1.192 122.405 121.223 -0.018 0.000 1.990 269 L HA -0.228 4.117 4.340 0.008 0.000 0.213 269 L C 2.255 179.104 176.870 -0.035 0.000 1.072 269 L CA 1.522 56.343 54.840 -0.032 0.000 0.755 269 L CB -0.119 41.911 42.059 -0.048 0.000 0.889 269 L HN 0.122 nan 8.230 nan 0.000 0.432 270 I N -0.463 120.085 120.570 -0.038 0.000 2.315 270 I HA -0.232 3.943 4.170 0.008 0.000 0.248 270 I C 2.694 178.853 176.117 0.070 0.000 1.117 270 I CA 0.912 62.198 61.300 -0.023 0.000 1.404 270 I CB -0.572 37.413 38.000 -0.026 0.000 1.071 270 I HN 0.340 nan 8.210 nan 0.000 0.419 271 A N -0.064 122.785 122.820 0.047 0.000 1.933 271 A HA -0.292 4.032 4.320 0.008 0.000 0.218 271 A C 2.542 180.158 177.584 0.054 0.000 1.175 271 A CA 1.963 54.033 52.037 0.055 0.000 0.628 271 A CB -1.297 17.723 19.000 0.033 0.000 0.814 271 A HN 0.624 nan 8.150 nan 0.000 0.444 272 c N -0.464 118.157 118.600 0.035 0.000 2.453 272 c HA -0.013 4.562 4.570 0.008 0.000 0.277 272 c C 2.601 176.720 174.090 0.048 0.000 1.262 272 c CA 1.072 57.418 56.329 0.029 0.000 1.718 272 c CB -1.600 40.915 42.510 0.008 0.000 2.031 272 c HN 0.590 nan 8.230 nan 0.000 0.480 273 L N 0.558 121.820 121.223 0.064 0.000 2.043 273 L HA -0.195 4.149 4.340 0.008 0.000 0.212 273 L C 3.007 179.999 176.870 0.203 0.000 1.075 273 L CA 1.919 56.838 54.840 0.131 0.000 0.752 273 L CB -0.751 41.381 42.059 0.122 0.000 0.891 273 L HN 0.381 nan 8.230 nan 0.000 0.432 274 R N -0.523 120.105 120.500 0.213 0.000 2.193 274 R HA -0.124 4.221 4.340 0.008 0.000 0.229 274 R C 2.146 178.472 176.300 0.042 0.000 1.110 274 R CA 1.696 57.858 56.100 0.104 0.000 0.988 274 R CB -0.457 29.894 30.300 0.086 0.000 0.871 274 R HN 0.542 nan 8.270 nan 0.000 0.458 275 T N -1.602 112.981 114.554 0.049 0.000 3.100 275 T HA 0.099 4.454 4.350 0.008 0.000 0.253 275 T C 0.858 175.575 174.700 0.029 0.000 1.118 275 T CA -0.172 61.945 62.100 0.029 0.000 1.058 275 T CB 0.155 69.039 68.868 0.026 0.000 0.953 275 T HN -0.133 nan 8.240 nan 0.000 0.515 276 R N 2.713 123.238 120.500 0.040 0.000 2.490 276 R HA 0.360 4.705 4.340 0.008 0.000 0.280 276 R C -2.741 173.578 176.300 0.032 0.000 1.077 276 R CA -2.576 53.548 56.100 0.040 0.000 1.065 276 R CB -0.166 30.164 30.300 0.050 0.000 1.003 276 R HN 0.249 nan 8.270 nan 0.000 0.470 277 P HA 0.006 nan 4.420 nan 0.000 0.268 277 P C 0.323 177.619 177.300 -0.008 0.000 1.204 277 P CA 0.202 63.306 63.100 0.005 0.000 0.768 277 P CB 0.604 32.319 31.700 0.025 0.000 0.842 278 A N 3.438 126.193 122.820 -0.108 0.000 1.915 278 A HA -0.317 4.008 4.320 0.008 0.000 0.220 278 A C 2.161 179.684 177.584 -0.101 0.000 1.198 278 A CA 2.180 54.118 52.037 -0.165 0.000 0.647 278 A CB -1.333 17.120 19.000 -0.912 0.000 0.825 278 A HN 0.538 nan 8.150 nan 0.000 0.456 279 Q N -0.335 119.395 119.800 -0.116 0.000 2.226 279 Q HA -0.152 4.192 4.340 0.008 0.000 0.204 279 Q C 1.642 177.748 176.000 0.177 0.000 0.975 279 Q CA 1.776 57.667 55.803 0.147 0.000 0.866 279 Q CB -0.352 28.501 28.738 0.192 0.000 0.915 279 Q HN 0.661 nan 8.270 nan 0.000 0.440 280 D N -0.698 119.790 120.400 0.148 0.000 2.117 280 D HA -0.126 4.519 4.640 0.008 0.000 0.197 280 D C 1.735 178.209 176.300 0.290 0.000 0.987 280 D CA 0.977 55.108 54.000 0.218 0.000 0.829 280 D CB 0.085 40.989 40.800 0.172 0.000 0.961 280 D HN 0.325 nan 8.370 nan 0.000 0.460 281 L N 0.127 121.460 121.223 0.183 0.000 2.046 281 L HA -0.146 4.199 4.340 0.008 0.000 0.208 281 L C 2.681 179.670 176.870 0.199 0.000 1.077 281 L CA 0.570 55.483 54.840 0.122 0.000 0.747 281 L CB -0.487 41.503 42.059 -0.115 0.000 0.896 281 L HN -0.073 nan 8.230 nan 0.000 0.432 282 V N -0.138 119.938 119.914 0.271 0.000 2.407 282 V HA -0.277 3.848 4.120 0.008 0.000 0.248 282 V C 1.880 178.115 176.094 0.236 0.000 1.055 282 V CA 1.824 64.330 62.300 0.343 0.000 1.049 282 V CB -0.512 31.592 31.823 0.469 0.000 0.662 282 V HN 0.429 nan 8.190 nan 0.000 0.455 283 D N -1.311 119.181 120.400 0.153 0.000 2.348 283 D HA -0.073 4.572 4.640 0.008 0.000 0.216 283 D C 1.754 177.903 176.300 -0.251 0.000 0.970 283 D CA 1.004 54.985 54.000 -0.032 0.000 0.889 283 D CB -0.070 40.665 40.800 -0.108 0.000 0.912 283 D HN 0.621 nan 8.370 nan 0.000 0.524 284 H N -0.589 118.523 119.070 0.070 0.000 2.885 284 H HA 0.092 4.653 4.556 0.008 0.000 0.260 284 H C 1.785 177.145 175.328 0.053 0.000 0.985 284 H CA 0.287 56.361 56.048 0.043 0.000 1.210 284 H CB 0.469 30.320 29.762 0.147 0.000 1.466 284 H HN 0.204 nan 8.280 nan 0.000 0.493 285 E N 0.842 121.205 120.200 0.271 0.000 2.160 285 E HA -0.248 4.107 4.350 0.008 0.000 0.195 285 E C 1.588 178.397 176.600 0.347 0.000 0.991 285 E CA 0.959 57.617 56.400 0.429 0.000 0.810 285 E CB -0.390 29.684 29.700 0.625 0.000 0.742 285 E HN 0.615 nan 8.360 nan 0.000 0.466 286 W N 1.378 122.670 121.300 -0.014 0.000 2.518 286 W HA -0.077 4.588 4.660 0.007 0.000 0.273 286 W C 1.363 177.862 176.519 -0.032 0.000 1.247 286 W CA 0.934 58.234 57.345 -0.074 0.000 1.288 286 W CB 0.081 29.396 29.460 -0.241 0.000 1.107 286 W HN 0.254 nan 8.180 nan 0.000 0.586 287 H N -0.683 118.468 119.070 0.136 0.000 2.521 287 H HA -0.075 4.486 4.556 0.008 0.000 0.286 287 H C 2.307 177.609 175.328 -0.044 0.000 1.034 287 H CA 0.867 56.943 56.048 0.046 0.000 1.278 287 H CB -0.943 28.895 29.762 0.127 0.000 1.386 287 H HN 0.027 nan 8.280 nan 0.000 0.567 288 V N 0.595 120.528 119.914 0.032 0.000 2.759 288 V HA -0.142 3.983 4.120 0.008 0.000 0.256 288 V C 0.837 176.820 176.094 -0.185 0.000 1.080 288 V CA 0.982 63.244 62.300 -0.063 0.000 1.101 288 V CB -0.230 31.528 31.823 -0.109 0.000 0.698 288 V HN 0.118 nan 8.190 nan 0.000 0.477 289 L N 1.285 122.336 121.223 -0.286 0.000 2.480 289 L HA 0.532 4.877 4.340 0.008 0.000 0.253 289 L C -2.676 174.000 176.870 -0.324 0.000 1.324 289 L CA -1.992 52.655 54.840 -0.323 0.000 0.916 289 L CB 1.011 42.813 42.059 -0.428 0.000 1.160 289 L HN -0.036 nan 8.230 nan 0.000 0.503 290 P HA 0.039 nan 4.420 nan 0.000 0.257 290 P C -1.233 176.002 177.300 -0.108 0.000 1.153 290 P CA 0.688 63.724 63.100 -0.107 0.000 0.762 290 P CB 0.165 31.832 31.700 -0.054 0.000 0.743 291 Q N 0.869 120.633 119.800 -0.060 0.000 2.527 291 Q HA 0.325 4.670 4.340 0.008 0.000 0.280 291 Q C -0.462 175.621 176.000 0.139 0.000 0.977 291 Q CA -0.790 55.021 55.803 0.014 0.000 0.837 291 Q CB 0.969 29.688 28.738 -0.033 0.000 1.454 291 Q HN 0.022 nan 8.270 nan 0.000 0.387 292 E N 0.509 120.808 120.200 0.166 0.000 2.299 292 E HA 0.115 4.469 4.350 0.008 0.000 0.193 292 E C 0.036 176.805 176.600 0.282 0.000 0.998 292 E CA 0.998 57.520 56.400 0.203 0.000 0.851 292 E CB 0.681 30.482 29.700 0.167 0.000 0.795 292 E HN 0.475 nan 8.360 nan 0.000 0.492 293 S N -0.979 114.931 115.700 0.351 0.000 2.588 293 S HA 0.287 4.761 4.470 0.008 0.000 0.269 293 S C -0.324 174.480 174.600 0.340 0.000 1.157 293 S CA -0.915 57.498 58.200 0.355 0.000 0.824 293 S CB 0.553 63.992 63.200 0.398 0.000 1.126 293 S HN 0.233 nan 8.310 nan 0.000 0.464 294 I N 1.065 121.706 120.570 0.118 0.000 3.607 294 I HA 0.274 4.449 4.170 0.008 0.000 0.303 294 I C 0.331 176.468 176.117 0.033 0.000 1.261 294 I CA 0.261 61.684 61.300 0.204 0.000 1.215 294 I CB -0.848 37.126 38.000 -0.043 0.000 1.043 294 I HN 0.456 nan 8.210 nan 0.000 0.465 295 F N 1.380 121.395 119.950 0.107 0.000 2.234 295 F HA 0.101 4.632 4.527 0.007 0.000 0.299 295 F C 1.587 177.417 175.800 0.050 0.000 1.087 295 F CA 0.780 58.718 58.000 -0.103 0.000 1.340 295 F CB -0.200 38.669 39.000 -0.218 0.000 1.031 295 F HN 0.162 nan 8.300 nan 0.000 0.500 296 R N -0.351 120.304 120.500 0.258 0.000 2.803 296 R HA 0.430 4.775 4.340 0.008 0.000 0.276 296 R C -1.471 174.966 176.300 0.228 0.000 0.978 296 R CA -0.779 55.447 56.100 0.210 0.000 0.939 296 R CB 1.764 32.107 30.300 0.072 0.000 1.179 296 R HN -0.032 nan 8.270 nan 0.000 0.472 297 F N -0.262 119.761 119.950 0.123 0.000 2.579 297 F HA 0.287 4.819 4.527 0.008 0.000 0.324 297 F C 0.756 176.506 175.800 -0.083 0.000 1.058 297 F CA -0.720 57.336 58.000 0.094 0.000 0.944 297 F CB 1.933 41.224 39.000 0.486 0.000 1.245 297 F HN 0.519 nan 8.300 nan 0.000 0.477 298 S N 2.091 116.963 115.700 -1.381 0.000 2.414 298 S HA 0.034 4.509 4.470 0.008 0.000 0.227 298 S C -0.037 173.694 174.600 -1.449 0.000 1.022 298 S CA 0.768 58.151 58.200 -1.362 0.000 0.958 298 S CB -0.263 62.047 63.200 -1.484 0.000 0.797 298 S HN 0.366 nan 8.310 nan 0.000 0.493 299 F N 2.655 121.994 119.950 -1.018 0.000 2.359 299 F HA 0.562 5.094 4.527 0.008 0.000 0.370 299 F C 0.079 175.882 175.800 0.005 0.000 1.077 299 F CA -1.262 56.575 58.000 -0.272 0.000 1.136 299 F CB 0.906 39.892 39.000 -0.024 0.000 1.387 299 F HN -0.081 nan 8.300 nan 0.000 0.468 300 V N 0.002 119.861 119.914 -0.092 0.000 3.164 300 V HA 0.769 4.894 4.120 0.008 0.000 0.313 300 V C -2.825 172.924 176.094 -0.575 0.000 1.188 300 V CA -3.441 58.504 62.300 -0.592 0.000 1.058 300 V CB 1.923 33.564 31.823 -0.304 0.000 1.110 300 V HN 0.157 nan 8.190 nan 0.000 0.453 301 P HA 0.118 nan 4.420 nan 0.000 0.262 301 P C -0.538 176.641 177.300 -0.201 0.000 1.182 301 P CA 0.549 63.413 63.100 -0.393 0.000 0.761 301 P CB 0.491 31.897 31.700 -0.490 0.000 0.795 302 V N 5.588 125.456 119.914 -0.075 0.000 2.539 302 V HA 0.169 4.294 4.120 0.008 0.000 0.292 302 V C -0.051 176.023 176.094 -0.032 0.000 1.045 302 V CA -0.720 61.551 62.300 -0.049 0.000 0.945 302 V CB 1.711 33.530 31.823 -0.007 0.000 0.993 302 V HN 0.151 nan 8.190 nan 0.000 0.464 303 V N 7.683 127.578 119.914 -0.032 0.000 2.302 303 V HA 0.142 4.267 4.120 0.008 0.000 0.244 303 V C 0.830 176.929 176.094 0.009 0.000 1.160 303 V CA 0.323 62.618 62.300 -0.008 0.000 1.127 303 V CB -0.054 31.756 31.823 -0.020 0.000 1.253 303 V HN 1.063 nan 8.190 nan 0.000 0.496 304 D N 2.520 122.941 120.400 0.034 0.000 2.339 304 D HA 0.101 4.746 4.640 0.008 0.000 0.217 304 D C 1.552 177.875 176.300 0.038 0.000 1.050 304 D CA 0.602 54.624 54.000 0.037 0.000 0.856 304 D CB 0.297 41.131 40.800 0.057 0.000 0.922 304 D HN 0.640 nan 8.370 nan 0.000 0.518 305 G N 0.686 109.509 108.800 0.038 0.000 2.179 305 G HA2 -0.325 3.639 3.960 0.008 0.000 0.257 305 G HA3 -0.325 3.639 3.960 0.008 0.000 0.257 305 G C 0.289 175.213 174.900 0.039 0.000 1.010 305 G CA 0.840 45.959 45.100 0.031 0.000 0.736 305 G HN 0.545 nan 8.290 nan 0.000 0.513 306 D N -1.744 118.696 120.400 0.068 0.000 3.041 306 D HA 0.215 4.860 4.640 0.008 0.000 0.201 306 D C 1.722 178.075 176.300 0.089 0.000 1.432 306 D CA 0.241 54.284 54.000 0.072 0.000 1.469 306 D CB -0.677 40.177 40.800 0.090 0.000 1.051 306 D HN 0.042 nan 8.370 nan 0.000 0.203 307 F N 1.138 121.097 119.950 0.015 0.000 2.115 307 F HA 0.080 4.612 4.527 0.007 0.000 0.300 307 F C 0.636 176.439 175.800 0.004 0.000 1.092 307 F CA 1.334 59.343 58.000 0.014 0.000 1.245 307 F CB 0.163 39.169 39.000 0.010 0.000 0.995 307 F HN 0.009 nan 8.300 nan 0.000 0.481 308 L N 0.404 121.787 121.223 0.266 0.000 2.316 308 L HA 0.195 4.540 4.340 0.008 0.000 0.280 308 L C 1.150 178.066 176.870 0.076 0.000 1.006 308 L CA -0.215 54.718 54.840 0.156 0.000 0.836 308 L CB 1.584 43.725 42.059 0.136 0.000 1.221 308 L HN 0.003 nan 8.230 nan 0.000 0.418 309 S N 0.114 115.840 115.700 0.044 0.000 2.527 309 S HA 0.069 4.544 4.470 0.008 0.000 0.222 309 S C 0.330 174.941 174.600 0.019 0.000 0.985 309 S CA 0.148 58.363 58.200 0.024 0.000 0.921 309 S CB 0.175 63.379 63.200 0.007 0.000 0.772 309 S HN 0.704 nan 8.310 nan 0.000 0.529 310 D N 0.413 120.826 120.400 0.023 0.000 2.779 310 D HA 0.279 4.924 4.640 0.008 0.000 0.331 310 D C -0.803 175.503 176.300 0.010 0.000 1.331 310 D CA 0.001 54.009 54.000 0.012 0.000 0.866 310 D CB 1.216 42.022 40.800 0.010 0.000 1.409 310 D HN 0.174 nan 8.370 nan 0.000 0.486 311 T N -0.943 113.610 114.554 -0.002 0.000 2.906 311 T HA 0.227 4.582 4.350 0.008 0.000 0.320 311 T C -1.808 172.889 174.700 -0.006 0.000 1.088 311 T CA -0.548 61.543 62.100 -0.015 0.000 1.120 311 T CB 0.925 69.778 68.868 -0.024 0.000 1.000 311 T HN 0.113 nan 8.240 nan 0.000 0.550 312 P HA -0.090 nan 4.420 nan 0.000 0.215 312 P C 1.533 178.831 177.300 -0.004 0.000 1.153 312 P CA 1.181 64.272 63.100 -0.015 0.000 0.853 312 P CB 0.022 31.684 31.700 -0.063 0.000 0.788 313 E N 0.103 120.290 120.200 -0.021 0.000 2.065 313 E HA -0.285 4.070 4.350 0.008 0.000 0.201 313 E C 1.885 178.495 176.600 0.017 0.000 1.016 313 E CA 1.800 58.195 56.400 -0.008 0.000 0.818 313 E CB -0.687 29.002 29.700 -0.018 0.000 0.749 313 E HN 0.095 nan 8.360 nan 0.000 0.453 314 A N 0.804 123.632 122.820 0.015 0.000 1.930 314 A HA -0.110 4.215 4.320 0.008 0.000 0.217 314 A C 2.267 179.878 177.584 0.045 0.000 1.175 314 A CA 1.255 53.306 52.037 0.023 0.000 0.627 314 A CB -0.564 18.443 19.000 0.011 0.000 0.815 314 A HN 0.349 nan 8.150 nan 0.000 0.443 315 L N -0.105 121.154 121.223 0.060 0.000 2.156 315 L HA -0.099 4.246 4.340 0.008 0.000 0.208 315 L C 2.513 179.503 176.870 0.201 0.000 1.095 315 L CA 1.364 56.264 54.840 0.101 0.000 0.770 315 L CB -0.549 41.574 42.059 0.108 0.000 0.914 315 L HN 0.670 nan 8.230 nan 0.000 0.439 316 I N -3.029 117.649 120.570 0.181 0.000 2.761 316 I HA -0.089 4.086 4.170 0.008 0.000 0.261 316 I C 1.815 178.070 176.117 0.230 0.000 1.198 316 I CA 1.021 62.474 61.300 0.254 0.000 1.482 316 I CB -0.350 37.697 38.000 0.077 0.000 1.100 316 I HN 0.168 nan 8.210 nan 0.000 0.445 317 N N 1.431 120.209 118.700 0.129 0.000 2.300 317 N HA -0.057 4.687 4.740 0.008 0.000 0.179 317 N C 1.434 176.989 175.510 0.075 0.000 1.016 317 N CA 1.730 54.836 53.050 0.093 0.000 0.876 317 N CB -0.277 38.243 38.487 0.055 0.000 0.979 317 N HN 0.437 nan 8.380 nan 0.000 0.432 318 T N -1.082 113.505 114.554 0.055 0.000 3.023 318 T HA 0.224 4.578 4.350 0.008 0.000 0.253 318 T C 0.920 175.572 174.700 -0.080 0.000 1.038 318 T CA -0.244 61.854 62.100 -0.003 0.000 0.962 318 T CB 0.430 69.292 68.868 -0.009 0.000 1.018 318 T HN 0.144 nan 8.240 nan 0.000 0.521 319 G N 1.586 110.320 108.800 -0.109 0.000 2.432 319 G HA2 0.377 4.341 3.960 0.008 0.000 0.257 319 G HA3 0.377 4.341 3.960 0.008 0.000 0.257 319 G C -0.958 173.469 174.900 -0.788 0.000 1.238 319 G CA -0.340 44.424 45.100 -0.561 0.000 0.838 319 G HN 0.142 nan 8.290 nan 0.000 0.547 320 D N 1.246 121.188 120.400 -0.764 0.000 2.359 320 D HA 0.294 4.939 4.640 0.008 0.000 0.230 320 D C -0.344 175.590 176.300 -0.610 0.000 1.118 320 D CA -0.718 52.983 54.000 -0.499 0.000 0.844 320 D CB 0.479 41.125 40.800 -0.257 0.000 1.059 320 D HN 0.120 nan 8.370 nan 0.000 0.493 321 F N 2.109 122.069 119.950 0.018 0.000 2.791 321 F HA 0.241 4.773 4.527 0.008 0.000 0.308 321 F C 1.986 177.801 175.800 0.025 0.000 1.138 321 F CA -0.415 57.600 58.000 0.025 0.000 1.294 321 F CB 0.159 39.182 39.000 0.039 0.000 0.975 321 F HN 0.337 nan 8.300 nan 0.000 0.512 322 Q N 0.930 120.797 119.800 0.112 0.000 2.112 322 Q HA -0.223 4.122 4.340 0.008 0.000 0.206 322 Q C 1.786 177.836 176.000 0.083 0.000 0.987 322 Q CA 2.103 57.956 55.803 0.082 0.000 0.858 322 Q CB -0.120 28.638 28.738 0.034 0.000 0.905 322 Q HN 0.454 nan 8.270 nan 0.000 0.420 323 D N -0.407 120.038 120.400 0.074 0.000 2.371 323 D HA -0.104 4.541 4.640 0.008 0.000 0.221 323 D C 0.147 176.498 176.300 0.086 0.000 0.986 323 D CA 0.220 54.256 54.000 0.060 0.000 0.899 323 D CB -0.081 40.738 40.800 0.031 0.000 0.902 323 D HN 0.109 nan 8.370 nan 0.000 0.530 324 L N 1.059 122.363 121.223 0.135 0.000 2.276 324 L HA 0.295 4.639 4.340 0.008 0.000 0.286 324 L C -0.652 176.311 176.870 0.155 0.000 1.061 324 L CA -0.311 54.622 54.840 0.155 0.000 0.807 324 L CB 1.334 43.514 42.059 0.202 0.000 1.177 324 L HN -0.203 nan 8.230 nan 0.000 0.429 325 Q N 3.130 123.039 119.800 0.180 0.000 2.316 325 Q HA 0.730 5.075 4.340 0.008 0.000 0.264 325 Q C -1.304 174.967 176.000 0.451 0.000 0.987 325 Q CA -0.311 55.656 55.803 0.274 0.000 0.852 325 Q CB 2.676 31.538 28.738 0.207 0.000 1.287 325 Q HN 0.494 nan 8.270 nan 0.000 0.448 326 V N 3.248 123.397 119.914 0.393 0.000 2.888 326 V HA 0.618 4.743 4.120 0.008 0.000 0.309 326 V C -2.016 174.007 176.094 -0.119 0.000 1.114 326 V CA -0.891 61.532 62.300 0.205 0.000 0.940 326 V CB 2.199 34.063 31.823 0.069 0.000 1.021 326 V HN 0.664 nan 8.190 nan 0.000 0.426 327 L N 7.810 128.761 121.223 -0.453 0.000 2.333 327 L HA 0.909 5.254 4.340 0.008 0.000 0.280 327 L C -0.708 176.034 176.870 -0.214 0.000 1.004 327 L CA -0.208 54.281 54.840 -0.586 0.000 0.820 327 L CB 1.686 42.944 42.059 -1.335 0.000 1.247 327 L HN 0.671 nan 8.230 nan 0.000 0.416 328 V N 1.934 121.793 119.914 -0.092 0.000 3.078 328 V HA 1.139 5.264 4.120 0.008 0.000 0.311 328 V C -0.215 175.668 176.094 -0.352 0.000 1.138 328 V CA 0.164 62.401 62.300 -0.105 0.000 1.007 328 V CB 1.258 32.988 31.823 -0.155 0.000 1.045 328 V HN 1.142 nan 8.190 nan 0.000 0.432 329 G N 0.345 108.814 108.800 -0.552 0.000 2.342 329 G HA2 0.751 4.715 3.960 0.008 0.000 0.297 329 G HA3 0.751 4.715 3.960 0.008 0.000 0.297 329 G C -1.231 173.377 174.900 -0.486 0.000 1.313 329 G CA 0.160 44.556 45.100 -1.173 0.000 0.830 329 G HN 2.142 nan 8.290 nan 0.000 0.506 330 V N -2.434 117.318 119.914 -0.269 0.000 3.147 330 V HA 0.911 5.036 4.120 0.008 0.000 0.306 330 V C 0.293 176.568 176.094 0.302 0.000 1.209 330 V CA -0.349 62.000 62.300 0.081 0.000 1.023 330 V CB 1.069 32.916 31.823 0.039 0.000 1.059 330 V HN 1.990 nan 8.190 nan 0.000 0.435 331 V N -0.093 120.009 119.914 0.314 0.000 3.134 331 V HA 0.557 4.682 4.120 0.008 0.000 0.313 331 V C 1.429 177.690 176.094 0.279 0.000 1.069 331 V CA 0.119 62.646 62.300 0.378 0.000 1.048 331 V CB 1.213 33.234 31.823 0.331 0.000 1.119 331 V HN 1.096 nan 8.190 nan 0.000 0.461 332 K N 0.091 120.654 120.400 0.272 0.000 2.097 332 K HA -0.085 4.240 4.320 0.008 0.000 0.206 332 K C 0.090 176.781 176.600 0.151 0.000 1.049 332 K CA 2.069 58.472 56.287 0.194 0.000 0.933 332 K CB -0.053 32.544 32.500 0.162 0.000 0.717 332 K HN 0.958 nan 8.250 nan 0.000 0.442 333 D N 0.839 121.311 120.400 0.121 0.000 2.517 333 D HA 0.063 4.708 4.640 0.008 0.000 0.301 333 D C 0.063 176.372 176.300 0.015 0.000 1.202 333 D CA -0.176 53.868 54.000 0.073 0.000 0.910 333 D CB 1.342 42.159 40.800 0.027 0.000 1.021 333 D HN 0.038 nan 8.370 nan 0.000 0.499 334 E N 0.571 120.819 120.200 0.081 0.000 2.204 334 E HA -0.108 4.247 4.350 0.008 0.000 0.195 334 E C 2.045 178.643 176.600 -0.003 0.000 0.990 334 E CA 0.697 57.147 56.400 0.083 0.000 0.821 334 E CB 0.061 29.898 29.700 0.227 0.000 0.750 334 E HN 0.533 nan 8.360 nan 0.000 0.477 335 G N 0.793 109.667 108.800 0.124 0.000 2.744 335 G HA2 -0.130 3.835 3.960 0.008 0.000 0.211 335 G HA3 -0.130 3.835 3.960 0.008 0.000 0.211 335 G C 1.705 176.710 174.900 0.174 0.000 1.146 335 G CA 0.698 45.975 45.100 0.295 0.000 0.787 335 G HN 0.351 nan 8.290 nan 0.000 0.534 336 S N -0.322 115.371 115.700 -0.011 0.000 2.368 336 S HA -0.129 4.346 4.470 0.008 0.000 0.224 336 S C 2.025 176.569 174.600 -0.095 0.000 1.029 336 S CA 0.842 59.039 58.200 -0.005 0.000 0.988 336 S CB -0.856 62.257 63.200 -0.145 0.000 0.838 336 S HN 0.422 nan 8.310 nan 0.000 0.462 337 Y N 1.258 121.293 120.300 -0.441 0.000 2.069 337 Y HA -0.284 4.270 4.550 0.007 0.000 0.278 337 Y C 2.134 177.934 175.900 -0.167 0.000 1.175 337 Y CA 2.029 59.829 58.100 -0.500 0.000 1.134 337 Y CB -0.494 37.518 38.460 -0.747 0.000 0.965 337 Y HN 0.260 nan 8.280 nan 0.000 0.498 338 F N -0.331 119.643 119.950 0.039 0.000 2.154 338 F HA -0.347 4.184 4.527 0.007 0.000 0.301 338 F C 2.091 177.896 175.800 0.008 0.000 1.087 338 F CA 1.148 59.084 58.000 -0.107 0.000 1.274 338 F CB -0.410 38.446 39.000 -0.240 0.000 1.009 338 F HN 0.059 nan 8.300 nan 0.000 0.485 339 L N -0.194 121.179 121.223 0.251 0.000 2.141 339 L HA -0.136 4.209 4.340 0.008 0.000 0.209 339 L C 2.304 179.311 176.870 0.229 0.000 1.094 339 L CA 0.858 55.738 54.840 0.067 0.000 0.763 339 L CB -0.861 40.964 42.059 -0.390 0.000 0.908 339 L HN 0.134 nan 8.230 nan 0.000 0.437 340 V N -4.732 115.378 119.914 0.327 0.000 3.380 340 V HA -0.154 3.971 4.120 0.008 0.000 0.268 340 V C 0.878 177.027 176.094 0.092 0.000 1.168 340 V CA 0.644 63.129 62.300 0.308 0.000 1.156 340 V CB -1.292 30.721 31.823 0.317 0.000 0.785 340 V HN 0.270 nan 8.190 nan 0.000 0.487 341 Y N 2.222 122.642 120.300 0.201 0.000 2.928 341 Y HA 0.647 5.201 4.550 0.008 0.000 0.390 341 Y C 1.527 177.505 175.900 0.130 0.000 1.101 341 Y CA 0.141 58.318 58.100 0.128 0.000 1.777 341 Y CB 0.251 38.743 38.460 0.053 0.000 1.720 341 Y HN 0.386 nan 8.280 nan 0.000 0.484 342 G N -0.595 108.346 108.800 0.236 0.000 2.148 342 G HA2 -0.223 3.742 3.960 0.008 0.000 0.203 342 G HA3 -0.223 3.742 3.960 0.008 0.000 0.203 342 G C -0.398 174.659 174.900 0.262 0.000 0.993 342 G CA -0.263 44.975 45.100 0.230 0.000 0.661 342 G HN 0.171 nan 8.290 nan 0.000 0.518 343 V N 2.201 122.293 119.914 0.296 0.000 2.455 343 V HA 0.367 4.492 4.120 0.008 0.000 0.273 343 V C -1.412 174.912 176.094 0.384 0.000 1.045 343 V CA -1.277 61.213 62.300 0.318 0.000 0.976 343 V CB 1.085 33.055 31.823 0.246 0.000 0.993 343 V HN 0.151 nan 8.190 nan 0.000 0.475 344 P HA 0.266 nan 4.420 nan 0.000 0.265 344 P C 0.975 178.397 177.300 0.203 0.000 1.193 344 P CA 1.153 64.375 63.100 0.204 0.000 0.765 344 P CB 0.704 32.484 31.700 0.134 0.000 0.823 345 G N 1.268 110.117 108.800 0.081 0.000 2.232 345 G HA2 -0.208 3.757 3.960 0.008 0.000 0.226 345 G HA3 -0.208 3.757 3.960 0.008 0.000 0.226 345 G C -0.211 174.497 174.900 -0.321 0.000 0.996 345 G CA -0.577 44.434 45.100 -0.149 0.000 0.626 345 G HN 0.405 nan 8.290 nan 0.000 0.509 346 F N 1.450 121.421 119.950 0.035 0.000 2.443 346 F HA 0.803 5.334 4.527 0.008 0.000 0.335 346 F C 0.541 176.434 175.800 0.156 0.000 1.104 346 F CA -0.184 57.846 58.000 0.050 0.000 1.013 346 F CB 2.343 41.426 39.000 0.138 0.000 1.136 346 F HN 0.147 nan 8.300 nan 0.000 0.470 347 S N 1.653 117.588 115.700 0.390 0.000 2.537 347 S HA 0.266 4.741 4.470 0.008 0.000 0.270 347 S C 0.366 175.280 174.600 0.524 0.000 1.142 347 S CA -0.857 57.575 58.200 0.388 0.000 0.870 347 S CB 1.416 64.742 63.200 0.209 0.000 1.112 347 S HN 0.784 nan 8.310 nan 0.000 0.466 348 K N 1.479 122.083 120.400 0.340 0.000 2.217 348 K HA 0.031 4.356 4.320 0.008 0.000 0.202 348 K C 0.108 176.740 176.600 0.054 0.000 1.051 348 K CA 1.376 57.750 56.287 0.145 0.000 0.952 348 K CB -0.177 32.136 32.500 -0.312 0.000 0.736 348 K HN 0.485 nan 8.250 nan 0.000 0.453 349 D N 1.038 121.451 120.400 0.021 0.000 2.339 349 D HA 0.001 4.646 4.640 0.008 0.000 0.217 349 D C -0.095 176.233 176.300 0.046 0.000 1.050 349 D CA 0.334 54.320 54.000 -0.022 0.000 0.856 349 D CB 0.069 40.838 40.800 -0.052 0.000 0.922 349 D HN 0.490 nan 8.370 nan 0.000 0.518 350 N N -0.999 117.767 118.700 0.110 0.000 3.102 350 N HA 0.107 4.851 4.740 0.008 0.000 0.299 350 N C 0.385 175.948 175.510 0.088 0.000 1.482 350 N CA -0.521 52.567 53.050 0.063 0.000 0.785 350 N CB 0.961 39.444 38.487 -0.007 0.000 1.680 350 N HN -0.424 nan 8.380 nan 0.000 0.594 351 E N -0.555 119.618 120.200 -0.045 0.000 2.478 351 E HA 0.063 4.418 4.350 0.008 0.000 0.194 351 E C -0.413 175.826 176.600 -0.601 0.000 1.045 351 E CA 0.128 56.438 56.400 -0.151 0.000 0.868 351 E CB -0.395 29.265 29.700 -0.066 0.000 0.885 351 E HN 0.600 nan 8.360 nan 0.000 0.505 352 S N 0.338 115.720 115.700 -0.531 0.000 3.641 352 S HA -0.188 4.286 4.470 0.008 0.000 0.346 352 S C 0.417 174.581 174.600 -0.726 0.000 1.074 352 S CA 0.149 57.902 58.200 -0.745 0.000 1.026 352 S CB -1.845 60.660 63.200 -1.159 0.000 0.908 352 S HN 0.305 nan 8.310 nan 0.000 0.479 353 L N 1.518 122.471 121.223 -0.450 0.000 2.513 353 L HA 0.296 4.640 4.340 0.008 0.000 0.272 353 L C 0.769 177.434 176.870 -0.341 0.000 1.187 353 L CA 0.389 55.029 54.840 -0.334 0.000 0.895 353 L CB -0.100 41.834 42.059 -0.207 0.000 1.147 353 L HN 0.473 nan 8.230 nan 0.000 0.483 354 I N 0.036 120.416 120.570 -0.316 0.000 2.957 354 I HA 0.676 4.850 4.170 0.008 0.000 0.310 354 I C 0.298 176.344 176.117 -0.118 0.000 1.063 354 I CA -0.698 60.448 61.300 -0.256 0.000 1.033 354 I CB 2.143 39.950 38.000 -0.321 0.000 1.230 354 I HN 0.560 nan 8.210 nan 0.000 0.447 355 S N 2.113 117.776 115.700 -0.061 0.000 2.693 355 S HA 0.411 4.886 4.470 0.008 0.000 0.276 355 S C 0.921 175.551 174.600 0.050 0.000 1.192 355 S CA -0.492 57.700 58.200 -0.013 0.000 0.994 355 S CB 1.684 64.881 63.200 -0.005 0.000 1.012 355 S HN 0.901 nan 8.310 nan 0.000 0.550 356 R N 0.621 121.156 120.500 0.058 0.000 2.105 356 R HA -0.097 4.248 4.340 0.008 0.000 0.239 356 R C 2.259 178.654 176.300 0.158 0.000 1.135 356 R CA 1.738 57.913 56.100 0.125 0.000 0.967 356 R CB -1.098 29.247 30.300 0.075 0.000 0.861 356 R HN 0.834 nan 8.270 nan 0.000 0.442 357 A N 0.471 123.346 122.820 0.092 0.000 1.898 357 A HA -0.193 4.132 4.320 0.008 0.000 0.216 357 A C 2.036 179.671 177.584 0.084 0.000 1.181 357 A CA 1.486 53.568 52.037 0.074 0.000 0.620 357 A CB -0.468 18.559 19.000 0.046 0.000 0.819 357 A HN 0.526 nan 8.150 nan 0.000 0.442 358 Q N -1.713 118.142 119.800 0.091 0.000 2.170 358 Q HA -0.153 4.192 4.340 0.008 0.000 0.203 358 Q C 1.851 177.967 176.000 0.193 0.000 0.976 358 Q CA 1.565 57.435 55.803 0.112 0.000 0.858 358 Q CB -0.325 28.452 28.738 0.065 0.000 0.907 358 Q HN 0.812 nan 8.270 nan 0.000 0.433 359 F N 0.791 120.774 119.950 0.056 0.000 2.084 359 F HA -0.235 4.297 4.527 0.008 0.000 0.296 359 F C 1.640 177.471 175.800 0.051 0.000 1.111 359 F CA 0.708 58.751 58.000 0.071 0.000 1.224 359 F CB 0.020 39.048 39.000 0.047 0.000 0.991 359 F HN -0.030 nan 8.300 nan 0.000 0.471 360 L N 1.145 122.300 121.223 -0.113 0.000 2.021 360 L HA -0.269 4.076 4.340 0.008 0.000 0.215 360 L C 2.788 179.566 176.870 -0.154 0.000 1.074 360 L CA 2.179 56.901 54.840 -0.197 0.000 0.760 360 L CB -1.671 40.362 42.059 -0.042 0.000 0.889 360 L HN 0.295 nan 8.230 nan 0.000 0.433 361 A N -0.679 122.110 122.820 -0.051 0.000 1.902 361 A HA -0.095 4.230 4.320 0.008 0.000 0.217 361 A C 2.437 179.996 177.584 -0.042 0.000 1.181 361 A CA 1.663 53.684 52.037 -0.026 0.000 0.623 361 A CB -1.379 17.636 19.000 0.025 0.000 0.818 361 A HN 0.458 nan 8.150 nan 0.000 0.443 362 G N -0.665 108.124 108.800 -0.018 0.000 2.422 362 G HA2 -0.101 3.864 3.960 0.008 0.000 0.218 362 G HA3 -0.101 3.864 3.960 0.008 0.000 0.218 362 G C 1.470 176.266 174.900 -0.173 0.000 1.146 362 G CA 1.201 46.292 45.100 -0.014 0.000 0.769 362 G HN 0.321 nan 8.290 nan 0.000 0.547 363 V N 0.709 120.455 119.914 -0.281 0.000 2.427 363 V HA -0.108 4.016 4.120 0.008 0.000 0.248 363 V C 2.988 178.938 176.094 -0.240 0.000 1.051 363 V CA 1.507 63.616 62.300 -0.318 0.000 1.048 363 V CB -0.368 31.193 31.823 -0.437 0.000 0.666 363 V HN 0.177 nan 8.190 nan 0.000 0.456 364 R N 0.143 120.534 120.500 -0.183 0.000 2.091 364 R HA -0.043 4.302 4.340 0.008 0.000 0.238 364 R C 2.064 178.264 176.300 -0.167 0.000 1.136 364 R CA 1.574 57.590 56.100 -0.140 0.000 0.959 364 R CB -0.951 29.295 30.300 -0.089 0.000 0.856 364 R HN 0.489 nan 8.270 nan 0.000 0.437 365 I N -0.637 119.826 120.570 -0.180 0.000 2.286 365 I HA -0.102 4.073 4.170 0.008 0.000 0.245 365 I C 2.223 177.996 176.117 -0.574 0.000 1.104 365 I CA 1.517 62.688 61.300 -0.214 0.000 1.397 365 I CB -0.599 37.357 38.000 -0.072 0.000 1.072 365 I HN 0.207 nan 8.210 nan 0.000 0.417 366 G N 0.395 108.731 108.800 -0.774 0.000 2.534 366 G HA2 0.003 3.968 3.960 0.008 0.000 0.217 366 G HA3 0.003 3.968 3.960 0.008 0.000 0.217 366 G C 0.801 175.280 174.900 -0.702 0.000 1.128 366 G CA 0.386 44.696 45.100 -1.317 0.000 0.784 366 G HN 0.271 nan 8.290 nan 0.000 0.542 367 V N 1.452 121.120 119.914 -0.410 0.000 2.502 367 V HA 0.203 4.328 4.120 0.008 0.000 0.261 367 V C -1.581 174.413 176.094 -0.168 0.000 0.996 367 V CA -0.987 61.153 62.300 -0.266 0.000 1.095 367 V CB 1.598 33.274 31.823 -0.245 0.000 1.325 367 V HN 0.026 nan 8.190 nan 0.000 0.574 368 P HA -0.182 nan 4.420 nan 0.000 0.225 368 P C 1.285 178.549 177.300 -0.060 0.000 1.148 368 P CA 1.113 64.156 63.100 -0.095 0.000 0.779 368 P CB 0.345 32.002 31.700 -0.071 0.000 0.780 369 Q N -0.542 119.235 119.800 -0.038 0.000 2.444 369 Q HA 0.160 4.504 4.340 0.008 0.000 0.206 369 Q C 0.650 176.627 176.000 -0.038 0.000 0.948 369 Q CA 0.149 55.937 55.803 -0.024 0.000 0.946 369 Q CB -0.492 28.253 28.738 0.013 0.000 1.027 369 Q HN 0.066 nan 8.270 nan 0.000 0.513 370 A N 2.059 124.846 122.820 -0.055 0.000 2.363 370 A HA 0.425 4.750 4.320 0.008 0.000 0.270 370 A C 0.543 178.098 177.584 -0.048 0.000 1.121 370 A CA -0.094 51.910 52.037 -0.055 0.000 0.800 370 A CB 0.497 19.460 19.000 -0.062 0.000 1.052 370 A HN 0.475 nan 8.150 nan 0.000 0.493 371 S N 1.752 117.426 115.700 -0.045 0.000 2.634 371 S HA 0.072 4.547 4.470 0.008 0.000 0.254 371 S C 0.387 174.972 174.600 -0.026 0.000 1.299 371 S CA 0.499 58.678 58.200 -0.035 0.000 0.974 371 S CB 0.184 63.362 63.200 -0.036 0.000 1.001 371 S HN 0.618 nan 8.310 nan 0.000 0.584 372 D N -0.152 120.238 120.400 -0.016 0.000 2.144 372 D HA -0.010 4.635 4.640 0.008 0.000 0.200 372 D C 1.715 178.021 176.300 0.010 0.000 0.978 372 D CA 0.630 54.627 54.000 -0.005 0.000 0.833 372 D CB -0.419 40.380 40.800 -0.001 0.000 0.961 372 D HN 0.370 nan 8.370 nan 0.000 0.470 373 L N 0.662 121.892 121.223 0.012 0.000 2.056 373 L HA 0.006 4.351 4.340 0.008 0.000 0.207 373 L C 2.038 178.937 176.870 0.048 0.000 1.078 373 L CA 1.561 56.422 54.840 0.034 0.000 0.749 373 L CB -0.864 41.210 42.059 0.024 0.000 0.901 373 L HN -0.014 nan 8.230 nan 0.000 0.433 374 A N -0.520 122.306 122.820 0.010 0.000 1.877 374 A HA -0.104 4.221 4.320 0.008 0.000 0.216 374 A C 2.455 180.061 177.584 0.038 0.000 1.186 374 A CA 1.827 53.865 52.037 0.002 0.000 0.620 374 A CB -1.206 17.759 19.000 -0.058 0.000 0.822 374 A HN 0.542 nan 8.150 nan 0.000 0.443 375 A N -0.711 122.113 122.820 0.008 0.000 1.908 375 A HA -0.181 4.144 4.320 0.008 0.000 0.218 375 A C 2.005 179.608 177.584 0.031 0.000 1.181 375 A CA 1.905 53.938 52.037 -0.007 0.000 0.627 375 A CB -0.442 18.534 19.000 -0.039 0.000 0.818 375 A HN 0.432 nan 8.150 nan 0.000 0.445 376 E N -0.084 120.153 120.200 0.061 0.000 2.051 376 E HA -0.117 4.238 4.350 0.008 0.000 0.192 376 E C 2.393 179.089 176.600 0.159 0.000 0.991 376 E CA 1.268 57.729 56.400 0.102 0.000 0.799 376 E CB -0.627 29.131 29.700 0.097 0.000 0.748 376 E HN 0.527 nan 8.360 nan 0.000 0.449 377 A N 0.660 123.596 122.820 0.195 0.000 1.908 377 A HA -0.169 4.156 4.320 0.008 0.000 0.218 377 A C 2.624 180.360 177.584 0.254 0.000 1.181 377 A CA 1.739 53.952 52.037 0.293 0.000 0.627 377 A CB -0.747 18.535 19.000 0.470 0.000 0.818 377 A HN 0.158 nan 8.150 nan 0.000 0.445 378 V N -0.593 119.462 119.914 0.235 0.000 2.261 378 V HA -0.234 3.891 4.120 0.008 0.000 0.246 378 V C 2.571 178.814 176.094 0.247 0.000 1.047 378 V CA 1.985 64.380 62.300 0.159 0.000 1.015 378 V CB -0.821 31.057 31.823 0.091 0.000 0.642 378 V HN 0.365 nan 8.190 nan 0.000 0.446 379 V N -0.096 119.921 119.914 0.172 0.000 2.332 379 V HA -0.284 3.840 4.120 0.008 0.000 0.248 379 V C 2.272 178.593 176.094 0.379 0.000 1.055 379 V CA 2.171 64.628 62.300 0.262 0.000 1.038 379 V CB -0.499 31.399 31.823 0.125 0.000 0.651 379 V HN 0.453 nan 8.190 nan 0.000 0.450 380 L N -0.977 120.452 121.223 0.343 0.000 2.056 380 L HA -0.177 4.168 4.340 0.008 0.000 0.207 380 L C 2.538 179.645 176.870 0.395 0.000 1.078 380 L CA 2.031 57.154 54.840 0.472 0.000 0.749 380 L CB -0.905 41.378 42.059 0.374 0.000 0.901 380 L HN 0.420 nan 8.230 nan 0.000 0.433 381 H N -0.585 118.536 119.070 0.085 0.000 2.352 381 H HA -0.230 4.330 4.556 0.007 0.000 0.299 381 H C 1.823 177.103 175.328 -0.080 0.000 1.097 381 H CA 2.107 58.069 56.048 -0.145 0.000 1.311 381 H CB 0.030 29.386 29.762 -0.677 0.000 1.377 381 H HN 0.255 nan 8.280 nan 0.000 0.504 382 Y N -0.338 120.069 120.300 0.179 0.000 2.510 382 Y HA 0.135 4.691 4.550 0.010 0.000 0.273 382 Y C 0.908 176.877 175.900 0.115 0.000 1.119 382 Y CA 0.364 58.587 58.100 0.205 0.000 1.286 382 Y CB 0.140 38.819 38.460 0.366 0.000 1.061 382 Y HN 0.014 nan 8.280 nan 0.000 0.542 383 T N 1.707 116.338 114.554 0.128 0.000 2.908 383 T HA -0.096 4.259 4.350 0.008 0.000 0.301 383 T C -0.164 174.247 174.700 -0.481 0.000 1.019 383 T CA 0.052 61.962 62.100 -0.317 0.000 1.152 383 T CB 0.078 68.416 68.868 -0.883 0.000 0.966 383 T HN 0.106 nan 8.240 nan 0.000 0.540 384 D N 2.414 122.475 120.400 -0.565 0.000 2.402 384 D HA 0.109 4.753 4.640 0.008 0.000 0.235 384 D C 0.189 176.200 176.300 -0.482 0.000 1.226 384 D CA -0.653 52.990 54.000 -0.594 0.000 0.918 384 D CB 0.179 40.368 40.800 -1.018 0.000 1.043 384 D HN 0.592 nan 8.370 nan 0.000 0.506 385 W N 3.149 124.370 121.300 -0.132 0.000 2.595 385 W HA 0.031 4.695 4.660 0.006 0.000 0.257 385 W C 2.026 178.455 176.519 -0.151 0.000 1.267 385 W CA -0.189 57.091 57.345 -0.108 0.000 1.300 385 W CB -0.095 29.315 29.460 -0.084 0.000 1.120 385 W HN 0.414 nan 8.180 nan 0.000 0.618 386 L N -0.749 120.440 121.223 -0.057 0.000 2.141 386 L HA -0.146 4.199 4.340 0.008 0.000 0.209 386 L C 0.059 176.553 176.870 -0.627 0.000 1.094 386 L CA 1.432 56.090 54.840 -0.304 0.000 0.763 386 L CB -0.479 41.389 42.059 -0.319 0.000 0.908 386 L HN 0.099 nan 8.230 nan 0.000 0.437 387 H N -2.406 116.584 119.070 -0.134 0.000 2.490 387 H HA 0.182 4.742 4.556 0.007 0.000 0.230 387 H C -1.973 173.233 175.328 -0.203 0.000 1.417 387 H CA -1.298 54.668 56.048 -0.137 0.000 1.449 387 H CB 0.348 30.033 29.762 -0.129 0.000 1.649 387 H HN -0.062 nan 8.280 nan 0.000 0.519 388 P HA -0.117 nan 4.420 nan 0.000 0.225 388 P C 0.878 178.090 177.300 -0.146 0.000 1.148 388 P CA 1.074 64.019 63.100 -0.258 0.000 0.779 388 P CB 0.609 32.167 31.700 -0.236 0.000 0.780 389 E N -1.298 118.866 120.200 -0.060 0.000 2.562 389 E HA 0.033 4.388 4.350 0.008 0.000 0.214 389 E C 0.179 176.765 176.600 -0.024 0.000 0.979 389 E CA -0.020 56.360 56.400 -0.033 0.000 1.002 389 E CB 0.045 29.738 29.700 -0.011 0.000 1.048 389 E HN 0.326 nan 8.360 nan 0.000 0.488 390 D N 2.919 123.312 120.400 -0.012 0.000 2.401 390 D HA -0.011 4.634 4.640 0.008 0.000 0.254 390 D C -1.474 174.804 176.300 -0.036 0.000 1.192 390 D CA -1.377 52.611 54.000 -0.019 0.000 0.885 390 D CB 1.725 42.508 40.800 -0.028 0.000 1.147 390 D HN -0.080 nan 8.370 nan 0.000 0.478 391 P HA -0.080 nan 4.420 nan 0.000 0.220 391 P C 1.276 178.509 177.300 -0.110 0.000 1.152 391 P CA 0.682 63.726 63.100 -0.092 0.000 0.812 391 P CB 0.293 31.932 31.700 -0.100 0.000 0.792 392 T N -0.814 113.691 114.554 -0.081 0.000 2.737 392 T HA -0.164 4.190 4.350 0.008 0.000 0.265 392 T C 1.851 176.520 174.700 -0.051 0.000 1.038 392 T CA 1.108 63.166 62.100 -0.070 0.000 1.144 392 T CB -1.104 67.738 68.868 -0.043 0.000 0.866 392 T HN 0.271 nan 8.240 nan 0.000 0.434 393 H N 1.104 120.113 119.070 -0.101 0.000 2.387 393 H HA 0.027 4.588 4.556 0.007 0.000 0.299 393 H C 2.192 177.429 175.328 -0.152 0.000 1.090 393 H CA 1.139 57.127 56.048 -0.100 0.000 1.332 393 H CB -0.360 29.336 29.762 -0.111 0.000 1.386 393 H HN 0.297 nan 8.280 nan 0.000 0.516 394 L N 0.536 121.633 121.223 -0.210 0.000 2.046 394 L HA -0.160 4.185 4.340 0.008 0.000 0.208 394 L C 3.116 179.846 176.870 -0.234 0.000 1.077 394 L CA 1.274 55.890 54.840 -0.373 0.000 0.747 394 L CB -0.464 41.447 42.059 -0.248 0.000 0.896 394 L HN 0.193 nan 8.230 nan 0.000 0.432 395 R N 0.512 120.938 120.500 -0.124 0.000 2.096 395 R HA -0.215 4.130 4.340 0.008 0.000 0.240 395 R C 1.576 177.941 176.300 0.110 0.000 1.139 395 R CA 2.309 58.417 56.100 0.013 0.000 0.952 395 R CB -0.457 29.741 30.300 -0.169 0.000 0.854 395 R HN 0.358 nan 8.270 nan 0.000 0.436 396 D N 0.009 120.395 120.400 -0.022 0.000 2.224 396 D HA -0.029 4.616 4.640 0.008 0.000 0.205 396 D C 1.624 177.914 176.300 -0.017 0.000 0.965 396 D CA 1.200 55.216 54.000 0.026 0.000 0.852 396 D CB -0.054 40.741 40.800 -0.009 0.000 0.947 396 D HN 0.390 nan 8.370 nan 0.000 0.494 397 A N 0.522 123.218 122.820 -0.207 0.000 1.930 397 A HA -0.071 4.253 4.320 0.008 0.000 0.215 397 A C 2.101 179.773 177.584 0.147 0.000 1.176 397 A CA 0.968 52.944 52.037 -0.101 0.000 0.632 397 A CB -0.377 18.358 19.000 -0.442 0.000 0.819 397 A HN 0.128 nan 8.150 nan 0.000 0.445 398 M N 0.055 119.797 119.600 0.237 0.000 2.149 398 M HA -0.113 4.372 4.480 0.008 0.000 0.261 398 M C 2.249 178.640 176.300 0.151 0.000 1.064 398 M CA 2.160 57.662 55.300 0.337 0.000 1.102 398 M CB -0.450 32.403 32.600 0.420 0.000 1.369 398 M HN 0.390 nan 8.290 nan 0.000 0.408 399 S N -0.510 115.288 115.700 0.163 0.000 2.383 399 S HA -0.017 4.458 4.470 0.008 0.000 0.227 399 S C 2.005 176.713 174.600 0.180 0.000 1.026 399 S CA 1.273 59.579 58.200 0.177 0.000 0.981 399 S CB -0.489 62.853 63.200 0.238 0.000 0.818 399 S HN 0.622 nan 8.310 nan 0.000 0.472 400 A N 0.909 123.843 122.820 0.191 0.000 1.898 400 A HA 0.059 4.384 4.320 0.008 0.000 0.216 400 A C 2.326 180.031 177.584 0.201 0.000 1.181 400 A CA 1.552 53.748 52.037 0.265 0.000 0.620 400 A CB -1.079 18.172 19.000 0.419 0.000 0.819 400 A HN 0.432 nan 8.150 nan 0.000 0.442 401 V N -0.512 119.356 119.914 -0.076 0.000 2.282 401 V HA -0.264 3.861 4.120 0.008 0.000 0.249 401 V C 2.528 178.587 176.094 -0.060 0.000 1.057 401 V CA 2.276 64.426 62.300 -0.250 0.000 1.032 401 V CB -0.707 30.945 31.823 -0.285 0.000 0.645 401 V HN 0.370 nan 8.190 nan 0.000 0.447 402 V N 0.210 120.129 119.914 0.008 0.000 2.488 402 V HA -0.036 4.089 4.120 0.008 0.000 0.246 402 V C 2.533 178.716 176.094 0.148 0.000 1.046 402 V CA 1.775 64.097 62.300 0.038 0.000 1.053 402 V CB -0.774 31.137 31.823 0.146 0.000 0.679 402 V HN 0.612 nan 8.190 nan 0.000 0.458 403 G N -0.249 108.684 108.800 0.221 0.000 2.418 403 G HA2 -0.238 3.727 3.960 0.008 0.000 0.217 403 G HA3 -0.238 3.727 3.960 0.008 0.000 0.217 403 G C 1.216 176.198 174.900 0.136 0.000 1.158 403 G CA 1.082 46.329 45.100 0.245 0.000 0.771 403 G HN 0.503 nan 8.290 nan 0.000 0.545 404 D N -0.402 120.036 120.400 0.063 0.000 2.103 404 D HA -0.048 4.597 4.640 0.008 0.000 0.199 404 D C 2.087 178.157 176.300 -0.384 0.000 0.978 404 D CA 1.145 55.120 54.000 -0.042 0.000 0.829 404 D CB -0.483 40.419 40.800 0.170 0.000 0.981 404 D HN 0.401 nan 8.370 nan 0.000 0.464 405 H N 1.091 119.664 119.070 -0.828 0.000 2.353 405 H HA 0.017 4.578 4.556 0.007 0.000 0.300 405 H C 1.519 176.646 175.328 -0.334 0.000 1.090 405 H CA 1.692 57.113 56.048 -1.044 0.000 1.327 405 H CB 0.059 29.099 29.762 -1.204 0.000 1.383 405 H HN -0.006 nan 8.280 nan 0.000 0.508 406 N N -0.795 117.781 118.700 -0.206 0.000 2.368 406 N HA -0.016 4.729 4.740 0.008 0.000 0.176 406 N C 1.250 176.921 175.510 0.269 0.000 1.021 406 N CA 1.204 54.291 53.050 0.062 0.000 0.888 406 N CB 0.939 39.540 38.487 0.190 0.000 0.995 406 N HN 0.282 nan 8.380 nan 0.000 0.437 407 V N -0.449 119.568 119.914 0.172 0.000 3.278 407 V HA 0.046 4.171 4.120 0.008 0.000 0.215 407 V C 2.191 178.331 176.094 0.077 0.000 1.287 407 V CA 0.183 62.592 62.300 0.181 0.000 1.302 407 V CB -0.126 31.825 31.823 0.213 0.000 1.228 407 V HN -0.173 nan 8.190 nan 0.000 0.523 408 V N 0.226 120.180 119.914 0.066 0.000 2.287 408 V HA -0.304 3.821 4.120 0.008 0.000 0.248 408 V C 2.500 178.603 176.094 0.014 0.000 1.053 408 V CA 2.652 64.975 62.300 0.038 0.000 1.027 408 V CB -0.850 31.017 31.823 0.075 0.000 0.646 408 V HN 0.671 nan 8.190 nan 0.000 0.447 409 c N -0.490 118.115 118.600 0.008 0.000 2.457 409 c HA 0.022 4.597 4.570 0.008 0.000 0.278 409 c C 0.562 174.657 174.090 0.009 0.000 1.309 409 c CA 0.792 57.144 56.329 0.039 0.000 1.735 409 c CB -1.814 40.753 42.510 0.095 0.000 1.992 409 c HN 0.452 nan 8.230 nan 0.000 0.493 410 P HA -0.069 nan 4.420 nan 0.000 0.216 410 P C 1.740 179.006 177.300 -0.056 0.000 1.150 410 P CA 1.367 64.436 63.100 -0.053 0.000 0.837 410 P CB -0.163 31.488 31.700 -0.083 0.000 0.786 411 V N 0.071 119.954 119.914 -0.051 0.000 2.358 411 V HA -0.231 3.894 4.120 0.008 0.000 0.246 411 V C 2.457 178.475 176.094 -0.127 0.000 1.047 411 V CA 2.182 64.427 62.300 -0.091 0.000 1.035 411 V CB -1.710 30.057 31.823 -0.094 0.000 0.658 411 V HN 0.096 nan 8.190 nan 0.000 0.452 412 A N -0.181 122.585 122.820 -0.090 0.000 1.902 412 A HA -0.320 4.005 4.320 0.008 0.000 0.217 412 A C 2.249 179.808 177.584 -0.042 0.000 1.181 412 A CA 2.224 54.211 52.037 -0.084 0.000 0.623 412 A CB -0.542 18.461 19.000 0.006 0.000 0.818 412 A HN 0.638 nan 8.150 nan 0.000 0.443 413 Q N -0.788 119.007 119.800 -0.010 0.000 2.050 413 Q HA -0.166 4.179 4.340 0.008 0.000 0.202 413 Q C 1.919 177.904 176.000 -0.025 0.000 0.980 413 Q CA 1.785 57.594 55.803 0.010 0.000 0.840 413 Q CB -0.382 28.367 28.738 0.019 0.000 0.898 413 Q HN 0.463 nan 8.270 nan 0.000 0.424 414 L N 0.791 121.972 121.223 -0.070 0.000 1.990 414 L HA -0.169 4.176 4.340 0.008 0.000 0.213 414 L C 2.347 179.144 176.870 -0.122 0.000 1.072 414 L CA 2.504 57.283 54.840 -0.102 0.000 0.755 414 L CB -1.174 40.810 42.059 -0.125 0.000 0.889 414 L HN 0.353 nan 8.230 nan 0.000 0.432 415 A N -0.745 121.961 122.820 -0.191 0.000 1.908 415 A HA -0.123 4.201 4.320 0.008 0.000 0.218 415 A C 2.335 179.884 177.584 -0.059 0.000 1.181 415 A CA 1.792 53.656 52.037 -0.288 0.000 0.627 415 A CB -1.630 16.912 19.000 -0.763 0.000 0.818 415 A HN 0.574 nan 8.150 nan 0.000 0.445 416 G N -0.588 108.241 108.800 0.049 0.000 2.433 416 G HA2 -0.210 3.755 3.960 0.008 0.000 0.216 416 G HA3 -0.210 3.755 3.960 0.008 0.000 0.216 416 G C 1.682 176.659 174.900 0.129 0.000 1.186 416 G CA 0.920 46.142 45.100 0.203 0.000 0.779 416 G HN 0.395 nan 8.290 nan 0.000 0.543 417 R N 0.511 121.054 120.500 0.072 0.000 2.082 417 R HA 0.033 4.378 4.340 0.008 0.000 0.234 417 R C 2.728 179.087 176.300 0.098 0.000 1.136 417 R CA 0.795 56.944 56.100 0.083 0.000 0.935 417 R CB -1.498 28.841 30.300 0.066 0.000 0.842 417 R HN 0.422 nan 8.270 nan 0.000 0.430 418 L N 0.379 121.605 121.223 0.005 0.000 1.997 418 L HA -0.251 4.094 4.340 0.008 0.000 0.216 418 L C 2.579 179.508 176.870 0.098 0.000 1.074 418 L CA 1.904 56.735 54.840 -0.015 0.000 0.763 418 L CB -0.914 41.046 42.059 -0.164 0.000 0.890 418 L HN 0.217 nan 8.230 nan 0.000 0.434 419 A N -0.009 122.876 122.820 0.109 0.000 1.908 419 A HA -0.163 4.162 4.320 0.008 0.000 0.218 419 A C 2.499 180.152 177.584 0.114 0.000 1.181 419 A CA 1.845 53.962 52.037 0.134 0.000 0.627 419 A CB -0.723 18.411 19.000 0.223 0.000 0.818 419 A HN 0.445 nan 8.150 nan 0.000 0.445 420 A N -1.339 121.553 122.820 0.118 0.000 2.067 420 A HA -0.087 4.238 4.320 0.008 0.000 0.219 420 A C 1.739 179.384 177.584 0.102 0.000 1.158 420 A CA 1.425 53.520 52.037 0.097 0.000 0.661 420 A CB -0.262 18.793 19.000 0.093 0.000 0.801 420 A HN 0.643 nan 8.150 nan 0.000 0.452 421 Q N -1.870 118.018 119.800 0.147 0.000 2.182 421 Q HA 0.390 4.735 4.340 0.008 0.000 0.270 421 Q C 0.687 176.793 176.000 0.177 0.000 0.861 421 Q CA 0.263 56.164 55.803 0.163 0.000 1.098 421 Q CB 0.651 29.531 28.738 0.236 0.000 1.188 421 Q HN 0.739 nan 8.270 nan 0.000 0.464 422 G N -0.083 108.799 108.800 0.138 0.000 2.201 422 G HA2 -0.217 3.747 3.960 0.008 0.000 0.212 422 G HA3 -0.217 3.747 3.960 0.008 0.000 0.212 422 G C 0.192 175.169 174.900 0.128 0.000 0.994 422 G CA -0.186 44.982 45.100 0.114 0.000 0.644 422 G HN 0.490 nan 8.290 nan 0.000 0.508 423 A N -0.053 122.856 122.820 0.149 0.000 2.293 423 A HA 0.825 5.150 4.320 0.008 0.000 0.302 423 A C 0.456 178.087 177.584 0.078 0.000 1.119 423 A CA 0.061 52.175 52.037 0.128 0.000 0.823 423 A CB 0.597 19.663 19.000 0.109 0.000 1.097 423 A HN 0.707 nan 8.150 nan 0.000 0.491 424 R N 1.517 122.063 120.500 0.078 0.000 2.216 424 R HA 0.485 4.830 4.340 0.008 0.000 0.332 424 R C -1.364 174.946 176.300 0.017 0.000 1.056 424 R CA -0.006 56.111 56.100 0.029 0.000 0.901 424 R CB 0.296 30.643 30.300 0.078 0.000 1.039 424 R HN 0.456 nan 8.270 nan 0.000 0.456 425 V N 5.855 125.714 119.914 -0.090 0.000 2.555 425 V HA 0.411 4.536 4.120 0.008 0.000 0.302 425 V C -0.990 174.946 176.094 -0.264 0.000 1.038 425 V CA -0.756 61.497 62.300 -0.078 0.000 0.887 425 V CB 1.455 33.282 31.823 0.006 0.000 0.991 425 V HN 0.643 nan 8.190 nan 0.000 0.434 426 Y N 2.016 122.252 120.300 -0.108 0.000 2.446 426 Y HA 0.814 5.368 4.550 0.007 0.000 0.345 426 Y C 0.303 176.254 175.900 0.086 0.000 0.984 426 Y CA -0.591 57.435 58.100 -0.123 0.000 1.058 426 Y CB 2.251 40.243 38.460 -0.780 0.000 1.220 426 Y HN 0.768 nan 8.280 nan 0.000 0.455 427 A N 2.761 125.956 122.820 0.625 0.000 2.435 427 A HA 0.873 5.198 4.320 0.008 0.000 0.304 427 A C -1.963 176.015 177.584 0.656 0.000 1.064 427 A CA -0.725 51.559 52.037 0.412 0.000 0.727 427 A CB 1.183 20.272 19.000 0.148 0.000 1.284 427 A HN 0.762 nan 8.150 nan 0.000 0.415 428 Y N -0.557 119.991 120.300 0.414 0.000 2.597 428 Y HA 0.785 5.339 4.550 0.006 0.000 0.340 428 Y C -1.197 174.891 175.900 0.313 0.000 1.097 428 Y CA -1.526 56.766 58.100 0.319 0.000 1.037 428 Y CB 1.314 39.944 38.460 0.282 0.000 1.305 428 Y HN 0.760 nan 8.280 nan 0.000 0.463 429 I N 3.345 124.239 120.570 0.540 0.000 2.436 429 I HA 0.505 4.680 4.170 0.008 0.000 0.289 429 I C -1.879 174.591 176.117 0.588 0.000 1.010 429 I CA -1.028 60.555 61.300 0.471 0.000 1.098 429 I CB 1.217 39.427 38.000 0.349 0.000 1.266 429 I HN 0.743 nan 8.210 nan 0.000 0.434 430 F N 7.295 127.542 119.950 0.494 0.000 2.405 430 F HA 0.415 4.947 4.527 0.009 0.000 0.355 430 F C 0.419 176.369 175.800 0.249 0.000 1.121 430 F CA 0.032 58.256 58.000 0.372 0.000 1.112 430 F CB 0.998 40.241 39.000 0.403 0.000 1.126 430 F HN 0.558 nan 8.300 nan 0.000 0.481 431 E N 3.061 123.203 120.200 -0.097 0.000 2.714 431 E HA -0.012 4.343 4.350 0.008 0.000 0.219 431 E C -0.877 175.634 176.600 -0.149 0.000 0.979 431 E CA -0.190 56.197 56.400 -0.022 0.000 1.092 431 E CB 0.256 29.951 29.700 -0.008 0.000 1.049 431 E HN 0.531 nan 8.360 nan 0.000 0.487 432 H N 1.818 120.566 119.070 -0.537 0.000 2.604 432 H HA 0.194 4.754 4.556 0.007 0.000 0.306 432 H C -0.248 175.059 175.328 -0.035 0.000 1.075 432 H CA -0.520 55.268 56.048 -0.433 0.000 1.357 432 H CB 0.523 29.771 29.762 -0.857 0.000 1.426 432 H HN -0.113 nan 8.280 nan 0.000 0.470 433 R N 4.485 124.620 120.500 -0.609 0.000 2.216 433 R HA 0.468 4.813 4.340 0.008 0.000 0.332 433 R C -0.577 175.455 176.300 -0.448 0.000 1.056 433 R CA -0.559 55.341 56.100 -0.334 0.000 0.901 433 R CB 0.302 30.490 30.300 -0.187 0.000 1.039 433 R HN 0.783 nan 8.270 nan 0.000 0.456 434 A N 3.311 126.185 122.820 0.090 0.000 2.587 434 A HA -0.041 4.284 4.320 0.008 0.000 0.235 434 A C 1.406 179.077 177.584 0.144 0.000 1.044 434 A CA 0.637 52.918 52.037 0.407 0.000 0.754 434 A CB 0.242 19.583 19.000 0.568 0.000 0.968 434 A HN 1.035 nan 8.150 nan 0.000 0.509 435 S N 1.294 117.127 115.700 0.221 0.000 2.442 435 S HA -0.157 4.318 4.470 0.008 0.000 0.236 435 S C 1.357 175.934 174.600 -0.038 0.000 1.007 435 S CA 1.657 59.902 58.200 0.075 0.000 0.965 435 S CB -0.810 62.456 63.200 0.110 0.000 0.773 435 S HN 1.319 nan 8.310 nan 0.000 0.504 436 T N -0.831 113.661 114.554 -0.103 0.000 3.107 436 T HA 0.350 4.705 4.350 0.008 0.000 0.249 436 T C 0.376 174.980 174.700 -0.159 0.000 1.096 436 T CA -0.548 61.425 62.100 -0.212 0.000 1.012 436 T CB -0.459 68.147 68.868 -0.436 0.000 0.977 436 T HN 0.230 nan 8.240 nan 0.000 0.527 437 L N 4.141 125.300 121.223 -0.106 0.000 2.490 437 L HA 0.253 4.598 4.340 0.008 0.000 0.274 437 L C 1.488 178.253 176.870 -0.175 0.000 1.201 437 L CA 0.797 55.543 54.840 -0.156 0.000 0.869 437 L CB 0.794 42.749 42.059 -0.173 0.000 1.123 437 L HN 0.450 nan 8.230 nan 0.000 0.484 438 T N -0.541 113.861 114.554 -0.253 0.000 3.069 438 T HA 0.131 4.485 4.350 0.008 0.000 0.252 438 T C 0.337 174.941 174.700 -0.161 0.000 1.053 438 T CA -0.500 61.446 62.100 -0.257 0.000 0.964 438 T CB -0.312 68.289 68.868 -0.444 0.000 1.005 438 T HN 0.395 nan 8.240 nan 0.000 0.532 439 W N 3.386 124.617 121.300 -0.116 0.000 2.161 439 W HA 0.436 5.102 4.660 0.009 0.000 0.344 439 W C -2.000 174.370 176.519 -0.249 0.000 1.262 439 W CA -2.143 55.107 57.345 -0.158 0.000 1.270 439 W CB 0.132 29.367 29.460 -0.373 0.000 1.126 439 W HN -0.043 nan 8.180 nan 0.000 0.598 440 P HA 0.016 nan 4.420 nan 0.000 0.272 440 P C 0.548 177.728 177.300 -0.200 0.000 1.230 440 P CA 0.019 63.043 63.100 -0.126 0.000 0.788 440 P CB 0.883 32.518 31.700 -0.108 0.000 0.949 441 L N 0.659 121.834 121.223 -0.080 0.000 2.081 441 L HA -0.173 4.172 4.340 0.008 0.000 0.212 441 L C 2.615 179.468 176.870 -0.028 0.000 1.080 441 L CA 1.649 56.460 54.840 -0.048 0.000 0.754 441 L CB -0.984 41.087 42.059 0.021 0.000 0.893 441 L HN 0.616 nan 8.230 nan 0.000 0.433 442 W N -0.644 120.668 121.300 0.020 0.000 2.364 442 W HA -0.198 4.466 4.660 0.007 0.000 0.281 442 W C 1.751 178.288 176.519 0.029 0.000 1.219 442 W CA 0.674 58.037 57.345 0.030 0.000 1.220 442 W CB -0.841 28.645 29.460 0.044 0.000 1.127 442 W HN 0.203 nan 8.180 nan 0.000 0.556 443 M N 1.326 120.540 119.600 -0.643 0.000 2.619 443 M HA 0.113 4.598 4.480 0.008 0.000 0.251 443 M C 1.909 178.037 176.300 -0.286 0.000 1.106 443 M CA 1.424 56.318 55.300 -0.677 0.000 1.086 443 M CB -0.581 31.435 32.600 -0.974 0.000 1.465 443 M HN 0.213 nan 8.290 nan 0.000 0.506 444 G N 0.645 109.350 108.800 -0.158 0.000 2.634 444 G HA2 -0.305 3.660 3.960 0.008 0.000 0.318 444 G HA3 -0.305 3.660 3.960 0.008 0.000 0.318 444 G C -0.023 174.825 174.900 -0.087 0.000 1.207 444 G CA 0.093 45.149 45.100 -0.073 0.000 0.987 444 G HN 0.264 nan 8.290 nan 0.000 0.547 445 V N 3.558 123.461 119.914 -0.018 0.000 2.257 445 V HA 0.480 4.605 4.120 0.008 0.000 0.269 445 V C -1.961 174.164 176.094 0.052 0.000 1.040 445 V CA -0.881 61.458 62.300 0.063 0.000 0.813 445 V CB 1.341 33.283 31.823 0.199 0.000 1.065 445 V HN 0.505 nan 8.190 nan 0.000 0.457 446 P HA 0.225 nan 4.420 nan 0.000 0.276 446 P C -0.161 177.217 177.300 0.130 0.000 1.244 446 P CA -0.293 62.730 63.100 -0.128 0.000 0.801 446 P CB 0.379 31.814 31.700 -0.442 0.000 1.006 447 H N -0.541 118.603 119.070 0.122 0.000 2.690 447 H HA 0.324 4.885 4.556 0.007 0.000 0.365 447 H C 1.082 176.428 175.328 0.030 0.000 1.142 447 H CA -0.334 55.748 56.048 0.056 0.000 1.417 447 H CB -0.162 29.548 29.762 -0.087 0.000 1.446 447 H HN 0.770 nan 8.280 nan 0.000 0.599 448 G N 1.516 110.412 108.800 0.160 0.000 2.268 448 G HA2 -0.347 3.618 3.960 0.008 0.000 0.240 448 G HA3 -0.347 3.618 3.960 0.008 0.000 0.240 448 G C 0.468 175.397 174.900 0.049 0.000 1.010 448 G CA 0.428 45.551 45.100 0.039 0.000 0.618 448 G HN 0.683 nan 8.290 nan 0.000 0.516 449 Y N 1.924 122.405 120.300 0.301 0.000 2.529 449 Y HA 0.195 4.749 4.550 0.007 0.000 0.290 449 Y C 2.493 178.526 175.900 0.221 0.000 1.177 449 Y CA 1.189 59.471 58.100 0.304 0.000 1.305 449 Y CB 0.346 38.987 38.460 0.301 0.000 1.047 449 Y HN 0.519 nan 8.280 nan 0.000 0.522 450 E N 0.547 120.722 120.200 -0.041 0.000 2.299 450 E HA -0.092 4.263 4.350 0.008 0.000 0.193 450 E C 1.650 178.184 176.600 -0.110 0.000 0.998 450 E CA 0.730 56.780 56.400 -0.584 0.000 0.851 450 E CB -0.454 28.352 29.700 -1.490 0.000 0.795 450 E HN 0.542 nan 8.360 nan 0.000 0.492 451 I N 2.790 123.385 120.570 0.041 0.000 2.127 451 I HA -0.319 3.856 4.170 0.008 0.000 0.241 451 I C 2.714 178.862 176.117 0.051 0.000 1.075 451 I CA 2.167 63.528 61.300 0.102 0.000 1.334 451 I CB -0.561 37.565 38.000 0.211 0.000 1.040 451 I HN 0.207 nan 8.210 nan 0.000 0.405 452 E N 1.058 121.229 120.200 -0.049 0.000 2.209 452 E HA -0.246 4.109 4.350 0.008 0.000 0.196 452 E C 2.038 178.440 176.600 -0.330 0.000 0.993 452 E CA 1.563 57.834 56.400 -0.215 0.000 0.819 452 E CB -0.567 28.975 29.700 -0.264 0.000 0.745 452 E HN 0.470 nan 8.360 nan 0.000 0.477 453 F N 1.316 121.189 119.950 -0.127 0.000 2.187 453 F HA -0.014 4.520 4.527 0.011 0.000 0.295 453 F C 2.376 177.976 175.800 -0.333 0.000 1.091 453 F CA 0.530 58.401 58.000 -0.215 0.000 1.308 453 F CB -0.097 38.877 39.000 -0.044 0.000 1.030 453 F HN -0.039 nan 8.300 nan 0.000 0.487 454 I N -0.894 119.556 120.570 -0.200 0.000 2.286 454 I HA -0.278 3.896 4.170 0.008 0.000 0.248 454 I C 1.970 177.851 176.117 -0.393 0.000 1.115 454 I CA 1.718 62.720 61.300 -0.497 0.000 1.392 454 I CB -1.307 36.270 38.000 -0.705 0.000 1.065 454 I HN 0.096 nan 8.210 nan 0.000 0.418 455 F N 1.015 120.792 119.950 -0.288 0.000 2.811 455 F HA 0.207 4.739 4.527 0.008 0.000 0.301 455 F C 1.890 177.560 175.800 -0.216 0.000 1.151 455 F CA 0.779 58.648 58.000 -0.219 0.000 1.412 455 F CB -0.298 38.559 39.000 -0.238 0.000 1.113 455 F HN 0.288 nan 8.300 nan 0.000 0.579 456 G N 0.172 108.830 108.800 -0.237 0.000 2.143 456 G HA2 -0.284 3.681 3.960 0.008 0.000 0.248 456 G HA3 -0.284 3.681 3.960 0.008 0.000 0.248 456 G C 1.171 175.486 174.900 -0.976 0.000 0.991 456 G CA 0.374 45.196 45.100 -0.464 0.000 0.689 456 G HN 0.346 nan 8.290 nan 0.000 0.522 457 L N -0.455 120.262 121.223 -0.844 0.000 2.129 457 L HA -0.103 4.242 4.340 0.008 0.000 0.212 457 L C -0.002 176.328 176.870 -0.900 0.000 1.087 457 L CA 2.194 56.473 54.840 -0.935 0.000 0.757 457 L CB -1.526 40.254 42.059 -0.464 0.000 0.896 457 L HN 0.234 nan 8.230 nan 0.000 0.434 458 P HA -0.080 nan 4.420 nan 0.000 0.234 458 P C 1.701 178.752 177.300 -0.416 0.000 1.167 458 P CA 0.787 63.358 63.100 -0.880 0.000 0.763 458 P CB 0.040 31.101 31.700 -1.065 0.000 0.835 459 L N -1.432 119.492 121.223 -0.499 0.000 2.456 459 L HA -0.018 4.327 4.340 0.008 0.000 0.224 459 L C 0.992 177.782 176.870 -0.133 0.000 1.148 459 L CA 0.584 55.262 54.840 -0.270 0.000 0.825 459 L CB -0.735 41.192 42.059 -0.220 0.000 0.937 459 L HN 0.001 nan 8.230 nan 0.000 0.450 460 D N 0.996 121.292 120.400 -0.173 0.000 2.365 460 D HA 0.124 4.769 4.640 0.008 0.000 0.237 460 D C -1.657 174.663 176.300 0.032 0.000 1.190 460 D CA -2.158 51.861 54.000 0.032 0.000 0.867 460 D CB 1.695 42.569 40.800 0.125 0.000 1.050 460 D HN -0.098 nan 8.370 nan 0.000 0.491 461 P HA -0.145 nan 4.420 nan 0.000 0.218 461 P C 1.403 178.718 177.300 0.025 0.000 1.149 461 P CA 0.960 64.078 63.100 0.030 0.000 0.817 461 P CB 0.067 31.781 31.700 0.022 0.000 0.785 462 S N -0.623 115.091 115.700 0.023 0.000 2.465 462 S HA -0.113 4.362 4.470 0.008 0.000 0.241 462 S C 1.685 176.281 174.600 -0.008 0.000 1.000 462 S CA 0.906 59.109 58.200 0.005 0.000 0.964 462 S CB -1.520 61.682 63.200 0.004 0.000 0.763 462 S HN 0.112 nan 8.310 nan 0.000 0.512 463 L N 0.542 121.777 121.223 0.020 0.000 2.554 463 L HA 0.165 4.510 4.340 0.008 0.000 0.226 463 L C 0.472 177.277 176.870 -0.108 0.000 1.137 463 L CA 0.091 54.926 54.840 -0.008 0.000 0.863 463 L CB -0.796 41.340 42.059 0.129 0.000 0.985 463 L HN 0.240 nan 8.230 nan 0.000 0.451 464 N N -1.900 116.775 118.700 -0.041 0.000 2.782 464 N HA -0.233 4.512 4.740 0.008 0.000 0.251 464 N C -0.350 175.097 175.510 -0.104 0.000 1.101 464 N CA 0.820 53.822 53.050 -0.079 0.000 0.764 464 N CB -1.846 36.567 38.487 -0.123 0.000 1.122 464 N HN 0.298 nan 8.380 nan 0.000 0.561 465 Y N 0.905 121.182 120.300 -0.039 0.000 2.426 465 Y HA 0.126 4.681 4.550 0.008 0.000 0.344 465 Y C 1.986 177.899 175.900 0.021 0.000 1.256 465 Y CA 0.393 58.492 58.100 -0.001 0.000 1.451 465 Y CB 0.395 38.837 38.460 -0.029 0.000 1.342 465 Y HN 0.098 nan 8.280 nan 0.000 0.600 466 T N -2.463 112.226 114.554 0.226 0.000 2.813 466 T HA 0.029 4.384 4.350 0.008 0.000 0.297 466 T C 1.200 175.972 174.700 0.120 0.000 1.036 466 T CA -0.269 61.912 62.100 0.135 0.000 1.044 466 T CB 0.848 69.788 68.868 0.120 0.000 0.993 466 T HN 0.736 nan 8.240 nan 0.000 0.535 467 T N 1.537 116.133 114.554 0.070 0.000 2.699 467 T HA -0.125 4.230 4.350 0.008 0.000 0.268 467 T C 1.786 176.515 174.700 0.048 0.000 1.036 467 T CA 2.110 64.239 62.100 0.048 0.000 1.147 467 T CB -0.483 68.402 68.868 0.028 0.000 0.862 467 T HN 0.802 nan 8.240 nan 0.000 0.446 468 E N 1.097 121.321 120.200 0.041 0.000 2.110 468 E HA -0.094 4.261 4.350 0.008 0.000 0.193 468 E C 2.195 178.827 176.600 0.053 0.000 0.988 468 E CA 0.958 57.367 56.400 0.016 0.000 0.804 468 E CB -0.197 29.483 29.700 -0.033 0.000 0.745 468 E HN 0.566 nan 8.360 nan 0.000 0.458 469 E N 0.319 120.592 120.200 0.121 0.000 2.110 469 E HA -0.154 4.201 4.350 0.008 0.000 0.193 469 E C 2.088 178.818 176.600 0.216 0.000 0.988 469 E CA 0.542 57.109 56.400 0.279 0.000 0.804 469 E CB 0.026 30.024 29.700 0.497 0.000 0.745 469 E HN 0.029 nan 8.360 nan 0.000 0.458 470 R N 0.941 121.496 120.500 0.091 0.000 2.081 470 R HA -0.124 4.220 4.340 0.008 0.000 0.235 470 R C 2.140 178.443 176.300 0.005 0.000 1.131 470 R CA 1.157 57.257 56.100 -0.001 0.000 0.960 470 R CB -0.383 29.912 30.300 -0.008 0.000 0.856 470 R HN 0.215 nan 8.270 nan 0.000 0.436 471 I N 0.344 120.936 120.570 0.037 0.000 2.315 471 I HA -0.270 3.905 4.170 0.008 0.000 0.248 471 I C 2.234 178.385 176.117 0.057 0.000 1.117 471 I CA 0.939 62.255 61.300 0.027 0.000 1.404 471 I CB -0.356 37.659 38.000 0.025 0.000 1.071 471 I HN 0.087 nan 8.210 nan 0.000 0.419 472 F N 1.775 121.677 119.950 -0.080 0.000 2.102 472 F HA -0.241 4.290 4.527 0.007 0.000 0.298 472 F C 2.417 178.190 175.800 -0.045 0.000 1.105 472 F CA 1.364 59.301 58.000 -0.105 0.000 1.239 472 F CB -0.638 38.235 39.000 -0.212 0.000 0.991 472 F HN 0.029 nan 8.300 nan 0.000 0.474 473 A N -0.081 122.674 122.820 -0.107 0.000 1.902 473 A HA -0.222 4.103 4.320 0.008 0.000 0.217 473 A C 2.139 179.579 177.584 -0.241 0.000 1.181 473 A CA 1.704 53.614 52.037 -0.212 0.000 0.623 473 A CB -0.858 18.046 19.000 -0.161 0.000 0.818 473 A HN 0.594 nan 8.150 nan 0.000 0.443 474 Q N -0.675 119.024 119.800 -0.168 0.000 2.096 474 Q HA -0.186 4.159 4.340 0.008 0.000 0.204 474 Q C 2.367 178.248 176.000 -0.198 0.000 0.982 474 Q CA 1.609 57.323 55.803 -0.148 0.000 0.850 474 Q CB -0.202 28.479 28.738 -0.095 0.000 0.901 474 Q HN 0.609 nan 8.270 nan 0.000 0.422 475 R N 0.272 120.632 120.500 -0.233 0.000 2.083 475 R HA -0.134 4.211 4.340 0.008 0.000 0.237 475 R C 2.342 178.342 176.300 -0.500 0.000 1.137 475 R CA 1.290 57.169 56.100 -0.369 0.000 0.951 475 R CB -0.356 29.795 30.300 -0.248 0.000 0.851 475 R HN 0.265 nan 8.270 nan 0.000 0.434 476 L N 0.017 121.022 121.223 -0.363 0.000 2.017 476 L HA -0.187 4.158 4.340 0.008 0.000 0.208 476 L C 2.569 179.392 176.870 -0.077 0.000 1.073 476 L CA 1.380 56.116 54.840 -0.174 0.000 0.745 476 L CB -0.400 41.404 42.059 -0.425 0.000 0.894 476 L HN 0.251 nan 8.230 nan 0.000 0.432 477 M N -0.610 118.881 119.600 -0.181 0.000 2.149 477 M HA -0.207 4.278 4.480 0.008 0.000 0.261 477 M C 2.304 178.597 176.300 -0.012 0.000 1.064 477 M CA 1.609 56.840 55.300 -0.115 0.000 1.102 477 M CB -0.308 32.211 32.600 -0.136 0.000 1.369 477 M HN 0.047 nan 8.290 nan 0.000 0.408 478 K N -0.259 120.097 120.400 -0.073 0.000 2.057 478 K HA -0.125 4.200 4.320 0.008 0.000 0.207 478 K C 1.870 178.524 176.600 0.090 0.000 1.049 478 K CA 1.642 57.900 56.287 -0.047 0.000 0.931 478 K CB -0.541 31.871 32.500 -0.147 0.000 0.714 478 K HN 0.347 nan 8.250 nan 0.000 0.440 479 Y N -0.335 120.086 120.300 0.203 0.000 2.145 479 Y HA -0.213 4.343 4.550 0.010 0.000 0.286 479 Y C 2.473 178.502 175.900 0.216 0.000 1.145 479 Y CA 0.677 58.933 58.100 0.260 0.000 1.148 479 Y CB -0.759 37.997 38.460 0.493 0.000 0.981 479 Y HN 0.202 nan 8.280 nan 0.000 0.507 480 W N 0.552 121.928 121.300 0.127 0.000 2.379 480 W HA -0.224 4.440 4.660 0.007 0.000 0.307 480 W C 2.534 179.051 176.519 -0.003 0.000 1.200 480 W CA 2.266 59.622 57.345 0.019 0.000 1.297 480 W CB -0.635 28.755 29.460 -0.116 0.000 1.140 480 W HN 0.228 nan 8.180 nan 0.000 0.507 481 T N -1.927 112.731 114.554 0.173 0.000 2.904 481 T HA -0.150 4.205 4.350 0.008 0.000 0.267 481 T C 1.426 176.147 174.700 0.035 0.000 1.059 481 T CA 1.245 63.378 62.100 0.055 0.000 1.137 481 T CB -0.609 68.270 68.868 0.018 0.000 0.879 481 T HN -0.074 nan 8.240 nan 0.000 0.467 482 N N 1.080 119.819 118.700 0.064 0.000 2.069 482 N HA -0.037 4.707 4.740 0.008 0.000 0.191 482 N C 1.403 176.898 175.510 -0.024 0.000 1.031 482 N CA 1.183 54.249 53.050 0.027 0.000 0.852 482 N CB -0.775 37.748 38.487 0.061 0.000 1.018 482 N HN 0.471 nan 8.380 nan 0.000 0.423 483 F N 1.785 121.641 119.950 -0.157 0.000 2.095 483 F HA -0.166 4.366 4.527 0.008 0.000 0.298 483 F C 2.211 177.921 175.800 -0.151 0.000 1.104 483 F CA 1.521 59.373 58.000 -0.246 0.000 1.232 483 F CB -0.524 38.230 39.000 -0.410 0.000 0.987 483 F HN 0.052 nan 8.300 nan 0.000 0.475 484 A N 0.459 123.174 122.820 -0.175 0.000 1.902 484 A HA -0.190 4.135 4.320 0.008 0.000 0.217 484 A C 2.370 179.830 177.584 -0.206 0.000 1.181 484 A CA 1.782 53.698 52.037 -0.201 0.000 0.623 484 A CB -0.710 18.249 19.000 -0.068 0.000 0.818 484 A HN 0.471 nan 8.150 nan 0.000 0.443 485 R N -1.191 119.221 120.500 -0.146 0.000 2.066 485 R HA -0.073 4.272 4.340 0.008 0.000 0.232 485 R C 1.946 178.156 176.300 -0.151 0.000 1.131 485 R CA 1.871 57.902 56.100 -0.115 0.000 0.955 485 R CB -0.231 30.030 30.300 -0.065 0.000 0.851 485 R HN 0.723 nan 8.270 nan 0.000 0.432 486 T N -5.444 108.996 114.554 -0.191 0.000 3.016 486 T HA 0.257 4.612 4.350 0.008 0.000 0.271 486 T C 1.128 175.704 174.700 -0.207 0.000 0.968 486 T CA 0.371 62.378 62.100 -0.156 0.000 0.891 486 T CB 1.409 70.223 68.868 -0.089 0.000 1.149 486 T HN 0.347 nan 8.240 nan 0.000 0.524 487 G N 1.272 109.821 108.800 -0.418 0.000 2.159 487 G HA2 -0.178 3.787 3.960 0.008 0.000 0.256 487 G HA3 -0.178 3.787 3.960 0.008 0.000 0.256 487 G C -0.337 174.487 174.900 -0.127 0.000 0.977 487 G CA 0.210 45.021 45.100 -0.481 0.000 0.652 487 G HN 0.802 nan 8.290 nan 0.000 0.531 488 D N -0.519 119.798 120.400 -0.139 0.000 2.686 488 D HA 0.470 5.115 4.640 0.008 0.000 0.249 488 D C -1.513 174.645 176.300 -0.237 0.000 1.260 488 D CA -1.687 52.201 54.000 -0.187 0.000 0.910 488 D CB 2.155 42.937 40.800 -0.031 0.000 1.323 488 D HN 0.006 nan 8.370 nan 0.000 0.561 489 P HA -0.001 nan 4.420 nan 0.000 0.233 489 P C -0.201 177.128 177.300 0.049 0.000 1.167 489 P CA 0.140 63.082 63.100 -0.264 0.000 0.770 489 P CB 0.327 31.578 31.700 -0.748 0.000 0.837 490 N N 0.899 119.597 118.700 -0.004 0.000 2.508 490 N HA 0.084 4.829 4.740 0.008 0.000 0.264 490 N C 0.075 175.665 175.510 0.134 0.000 1.216 490 N CA 0.044 53.185 53.050 0.152 0.000 0.943 490 N CB 0.229 38.796 38.487 0.134 0.000 1.113 490 N HN -0.100 nan 8.380 nan 0.000 0.447 491 D N 1.463 121.958 120.400 0.159 0.000 2.313 491 D HA 0.249 4.894 4.640 0.008 0.000 0.239 491 D C -1.857 174.491 176.300 0.080 0.000 1.142 491 D CA -1.355 52.705 54.000 0.100 0.000 0.847 491 D CB 0.512 41.365 40.800 0.088 0.000 1.082 491 D HN 0.328 nan 8.370 nan 0.000 0.480 499 Q N 0.319 120.203 119.800 0.139 0.000 2.354 499 Q HA 0.231 4.575 4.340 0.008 0.000 0.244 499 Q C -0.788 175.363 176.000 0.252 0.000 0.969 499 Q CA 0.153 56.074 55.803 0.197 0.000 0.885 499 Q CB 1.145 29.987 28.738 0.174 0.000 1.241 499 Q HN 0.521 nan 8.270 nan 0.000 0.461 500 W N 5.388 126.744 121.300 0.095 0.000 2.311 500 W HA 0.334 4.998 4.660 0.007 0.000 0.317 500 W C -2.501 174.158 176.519 0.234 0.000 1.065 500 W CA -2.639 54.775 57.345 0.116 0.000 1.364 500 W CB 0.455 29.927 29.460 0.022 0.000 1.233 500 W HN 0.386 nan 8.180 nan 0.000 0.409 501 P HA 0.282 nan 4.420 nan 0.000 0.277 501 P C -2.526 174.940 177.300 0.277 0.000 1.240 501 P CA -1.589 61.705 63.100 0.323 0.000 0.798 501 P CB 0.462 32.278 31.700 0.194 0.000 0.979 502 P HA 0.023 nan 4.420 nan 0.000 0.269 502 P C -0.820 176.460 177.300 -0.034 0.000 1.217 502 P CA 0.187 63.056 63.100 -0.385 0.000 0.783 502 P CB 0.088 31.561 31.700 -0.378 0.000 0.898 503 Y N 1.969 122.194 120.300 -0.125 0.000 2.336 503 Y HA 0.429 4.987 4.550 0.014 0.000 0.335 503 Y C 0.212 176.101 175.900 -0.018 0.000 1.046 503 Y CA 0.251 58.356 58.100 0.009 0.000 1.198 503 Y CB 0.442 38.932 38.460 0.051 0.000 1.182 503 Y HN 0.405 nan 8.280 nan 0.000 0.502 504 T N 0.022 114.329 114.554 -0.411 0.000 2.901 504 T HA 0.265 4.620 4.350 0.008 0.000 0.293 504 T C 0.832 175.290 174.700 -0.403 0.000 1.084 504 T CA -0.189 61.757 62.100 -0.255 0.000 1.008 504 T CB 1.285 70.072 68.868 -0.136 0.000 1.170 504 T HN 0.621 nan 8.240 nan 0.000 0.509 505 T N -1.354 113.108 114.554 -0.154 0.000 2.985 505 T HA 0.127 4.482 4.350 0.008 0.000 0.266 505 T C 2.219 176.863 174.700 -0.093 0.000 1.076 505 T CA 0.741 62.783 62.100 -0.095 0.000 1.135 505 T CB -0.690 68.185 68.868 0.012 0.000 0.890 505 T HN 0.828 nan 8.240 nan 0.000 0.480 506 A N 1.853 124.623 122.820 -0.084 0.000 1.855 506 A HA 0.494 4.819 4.320 0.008 0.000 0.215 506 A C 2.654 180.194 177.584 -0.072 0.000 1.191 506 A CA 1.560 53.564 52.037 -0.055 0.000 0.613 506 A CB -1.169 17.810 19.000 -0.035 0.000 0.829 506 A HN 0.714 nan 8.150 nan 0.000 0.442 507 A N -2.078 120.675 122.820 -0.112 0.000 2.115 507 A HA 0.274 4.599 4.320 0.008 0.000 0.211 507 A C 0.900 178.403 177.584 -0.134 0.000 1.169 507 A CA 0.792 52.774 52.037 -0.092 0.000 0.787 507 A CB -0.260 18.703 19.000 -0.061 0.000 0.858 507 A HN 0.561 nan 8.150 nan 0.000 0.474 508 Q N -0.007 119.588 119.800 -0.343 0.000 2.434 508 Q HA -0.231 4.114 4.340 0.008 0.000 0.299 508 Q C -0.789 175.186 176.000 -0.041 0.000 1.286 508 Q CA 0.728 56.234 55.803 -0.495 0.000 0.872 508 Q CB -1.852 26.813 28.738 -0.121 0.000 1.193 508 Q HN 0.835 nan 8.270 nan 0.000 0.466 509 Q N 0.493 120.282 119.800 -0.018 0.000 2.288 509 Q HA 0.485 4.830 4.340 0.008 0.000 0.254 509 Q C -0.387 175.888 176.000 0.458 0.000 0.932 509 Q CA -0.059 55.855 55.803 0.184 0.000 0.902 509 Q CB 0.574 29.367 28.738 0.092 0.000 1.203 509 Q HN 0.349 nan 8.270 nan 0.000 0.415 510 Y N -1.717 118.719 120.300 0.226 0.000 2.625 510 Y HA 0.696 5.255 4.550 0.016 0.000 0.338 510 Y C -1.034 174.889 175.900 0.039 0.000 1.123 510 Y CA -1.604 56.633 58.100 0.228 0.000 1.046 510 Y CB 0.482 39.079 38.460 0.228 0.000 1.299 510 Y HN 0.349 nan 8.280 nan 0.000 0.464 511 V N -0.208 119.629 119.914 -0.127 0.000 2.769 511 V HA 0.819 4.944 4.120 0.008 0.000 0.312 511 V C -0.084 175.916 176.094 -0.157 0.000 1.058 511 V CA -0.612 61.461 62.300 -0.380 0.000 0.952 511 V CB 1.181 32.513 31.823 -0.819 0.000 1.019 511 V HN 1.116 nan 8.190 nan 0.000 0.445 512 S N 3.949 119.557 115.700 -0.153 0.000 2.523 512 S HA 0.674 5.149 4.470 0.008 0.000 0.275 512 S C -0.435 174.131 174.600 -0.057 0.000 1.281 512 S CA -0.664 57.522 58.200 -0.024 0.000 1.050 512 S CB 0.550 63.727 63.200 -0.038 0.000 0.937 512 S HN 0.726 nan 8.310 nan 0.000 0.492 513 L N 4.092 125.329 121.223 0.024 0.000 2.277 513 L HA 0.522 4.867 4.340 0.008 0.000 0.284 513 L C -0.156 176.611 176.870 -0.172 0.000 1.028 513 L CA -0.405 54.460 54.840 0.042 0.000 0.835 513 L CB 0.017 42.188 42.059 0.188 0.000 1.215 513 L HN 0.960 nan 8.230 nan 0.000 0.425 514 N N 2.109 120.649 118.700 -0.266 0.000 3.449 514 N HA 0.295 5.040 4.740 0.008 0.000 0.312 514 N C 0.055 175.061 175.510 -0.839 0.000 1.582 514 N CA -0.952 51.674 53.050 -0.706 0.000 0.850 514 N CB 0.582 38.834 38.487 -0.392 0.000 1.822 514 N HN 0.204 nan 8.380 nan 0.000 0.577 515 L N -0.973 119.769 121.223 -0.801 0.000 2.465 515 L HA 0.137 4.482 4.340 0.008 0.000 0.224 515 L C 0.434 177.136 176.870 -0.280 0.000 1.145 515 L CA 0.817 55.285 54.840 -0.619 0.000 0.834 515 L CB -0.536 41.231 42.059 -0.486 0.000 0.944 515 L HN 0.373 nan 8.230 nan 0.000 0.451 516 K N -0.089 120.182 120.400 -0.215 0.000 2.090 516 K HA 0.331 4.656 4.320 0.008 0.000 0.250 516 K C -2.222 174.343 176.600 -0.059 0.000 1.004 516 K CA -1.888 54.334 56.287 -0.108 0.000 0.919 516 K CB 0.176 32.622 32.500 -0.090 0.000 1.045 516 K HN -0.246 nan 8.250 nan 0.000 0.471 517 P HA -0.011 nan 4.420 nan 0.000 0.270 517 P C -0.440 176.866 177.300 0.011 0.000 1.223 517 P CA -0.242 62.872 63.100 0.023 0.000 0.785 517 P CB 0.381 32.095 31.700 0.024 0.000 0.923 518 L N 1.183 122.431 121.223 0.041 0.000 2.653 518 L HA -0.087 4.257 4.340 0.008 0.000 0.288 518 L C 1.089 177.925 176.870 -0.057 0.000 1.243 518 L CA 0.968 55.788 54.840 -0.032 0.000 0.906 518 L CB -0.321 41.718 42.059 -0.034 0.000 1.154 518 L HN 0.525 nan 8.230 nan 0.000 0.498 519 E N 3.270 123.408 120.200 -0.103 0.000 2.210 519 E HA 0.418 4.773 4.350 0.008 0.000 0.266 519 E C -1.368 175.133 176.600 -0.164 0.000 0.883 519 E CA -0.791 55.547 56.400 -0.103 0.000 0.761 519 E CB 2.029 31.677 29.700 -0.087 0.000 1.156 519 E HN 0.299 nan 8.360 nan 0.000 0.412 520 V N 4.799 124.630 119.914 -0.138 0.000 2.546 520 V HA 0.428 4.553 4.120 0.008 0.000 0.284 520 V C 0.306 176.259 176.094 -0.235 0.000 1.050 520 V CA -0.204 61.991 62.300 -0.176 0.000 0.981 520 V CB 1.093 32.870 31.823 -0.076 0.000 0.990 520 V HN 0.704 nan 8.190 nan 0.000 0.474 521 R N 3.711 123.951 120.500 -0.434 0.000 2.854 521 R HA 0.705 5.049 4.340 0.008 0.000 0.271 521 R C -0.934 175.174 176.300 -0.320 0.000 0.994 521 R CA -1.030 54.789 56.100 -0.469 0.000 0.945 521 R CB 2.590 32.420 30.300 -0.783 0.000 1.194 521 R HN 0.589 nan 8.270 nan 0.000 0.476 522 R N 0.178 120.664 120.500 -0.023 0.000 2.534 522 R HA 0.490 4.834 4.340 0.008 0.000 0.301 522 R C -0.660 175.829 176.300 0.316 0.000 0.961 522 R CA -0.566 55.624 56.100 0.150 0.000 0.871 522 R CB 2.161 32.504 30.300 0.071 0.000 1.170 522 R HN 0.902 nan 8.270 nan 0.000 0.446 523 G N 2.260 111.284 108.800 0.373 0.000 3.396 523 G HA2 -0.210 3.755 3.960 0.008 0.000 0.682 523 G HA3 -0.210 3.755 3.960 0.008 0.000 0.682 523 G C -1.092 173.993 174.900 0.308 0.000 0.924 523 G CA -0.905 44.374 45.100 0.299 0.000 0.770 523 G HN 0.356 nan 8.290 nan 0.000 0.484 524 L N 4.526 125.832 121.223 0.138 0.000 2.302 524 L HA 0.524 4.869 4.340 0.008 0.000 0.285 524 L C 1.589 178.481 176.870 0.037 0.000 1.090 524 L CA -0.536 54.237 54.840 -0.112 0.000 0.866 524 L CB -0.127 41.796 42.059 -0.228 0.000 1.244 524 L HN 0.717 nan 8.230 nan 0.000 0.435 525 R N 3.063 123.614 120.500 0.086 0.000 3.301 525 R HA -0.281 4.064 4.340 0.008 0.000 0.249 525 R C 1.329 177.731 176.300 0.171 0.000 0.964 525 R CA 0.731 56.920 56.100 0.148 0.000 0.653 525 R CB -2.203 28.199 30.300 0.169 0.000 1.043 525 R HN 0.763 nan 8.270 nan 0.000 0.454 526 A N 0.666 123.582 122.820 0.160 0.000 1.892 526 A HA -0.262 4.063 4.320 0.008 0.000 0.218 526 A C 2.101 179.786 177.584 0.169 0.000 1.188 526 A CA 1.374 53.507 52.037 0.160 0.000 0.631 526 A CB -0.126 18.961 19.000 0.145 0.000 0.822 526 A HN 0.391 nan 8.150 nan 0.000 0.447 527 Q N -0.661 119.235 119.800 0.161 0.000 2.030 527 Q HA -0.135 4.209 4.340 0.008 0.000 0.204 527 Q C 2.273 178.411 176.000 0.230 0.000 0.986 527 Q CA 2.193 58.099 55.803 0.172 0.000 0.843 527 Q CB -1.310 27.513 28.738 0.142 0.000 0.904 527 Q HN 0.654 nan 8.270 nan 0.000 0.420 528 T N 0.547 115.255 114.554 0.257 0.000 2.788 528 T HA -0.116 4.239 4.350 0.008 0.000 0.268 528 T C 2.000 176.944 174.700 0.405 0.000 1.044 528 T CA 1.139 63.411 62.100 0.288 0.000 1.139 528 T CB -0.252 68.815 68.868 0.332 0.000 0.867 528 T HN 0.321 nan 8.240 nan 0.000 0.454 529 c N 1.447 120.266 118.600 0.365 0.000 2.448 529 c HA 0.263 4.838 4.570 0.008 0.000 0.280 529 c C 3.093 177.368 174.090 0.308 0.000 1.398 529 c CA -0.030 56.529 56.329 0.383 0.000 1.774 529 c CB -1.364 41.302 42.510 0.259 0.000 1.888 529 c HN 0.640 nan 8.230 nan 0.000 0.519 530 A N 0.305 123.273 122.820 0.247 0.000 1.902 530 A HA -0.191 4.134 4.320 0.008 0.000 0.217 530 A C 1.870 179.580 177.584 0.209 0.000 1.181 530 A CA 1.622 53.779 52.037 0.200 0.000 0.623 530 A CB -0.822 18.279 19.000 0.168 0.000 0.818 530 A HN 0.550 nan 8.150 nan 0.000 0.443 531 F N -0.647 119.328 119.950 0.041 0.000 2.069 531 F HA -0.229 4.302 4.527 0.007 0.000 0.298 531 F C 1.986 177.760 175.800 -0.043 0.000 1.113 531 F CA 2.097 60.047 58.000 -0.084 0.000 1.214 531 F CB -0.530 38.194 39.000 -0.460 0.000 0.978 531 F HN 0.381 nan 8.300 nan 0.000 0.474 532 W N 0.435 121.788 121.300 0.087 0.000 2.388 532 W HA -0.109 4.554 4.660 0.005 0.000 0.294 532 W C 2.113 178.619 176.519 -0.022 0.000 1.212 532 W CA 0.951 58.294 57.345 -0.003 0.000 1.271 532 W CB -0.557 29.026 29.460 0.205 0.000 1.126 532 W HN -0.013 nan 8.180 nan 0.000 0.535 533 N N -0.552 118.299 118.700 0.251 0.000 2.405 533 N HA 0.059 4.804 4.740 0.008 0.000 0.175 533 N C 1.417 176.979 175.510 0.086 0.000 1.051 533 N CA 0.776 53.921 53.050 0.158 0.000 0.899 533 N CB -0.016 38.564 38.487 0.155 0.000 1.000 533 N HN 0.249 nan 8.380 nan 0.000 0.451 534 R N -1.494 119.053 120.500 0.077 0.000 2.243 534 R HA 0.238 4.583 4.340 0.008 0.000 0.193 534 R C 1.338 177.666 176.300 0.046 0.000 0.933 534 R CA -0.036 56.103 56.100 0.066 0.000 1.105 534 R CB -0.146 30.215 30.300 0.101 0.000 1.169 534 R HN 0.031 nan 8.270 nan 0.000 0.599 535 F N 1.576 121.443 119.950 -0.138 0.000 2.188 535 F HA 0.138 4.670 4.527 0.008 0.000 0.289 535 F C 1.869 177.501 175.800 -0.281 0.000 1.082 535 F CA 0.883 58.770 58.000 -0.189 0.000 1.282 535 F CB -0.185 38.705 39.000 -0.184 0.000 1.060 535 F HN -0.158 nan 8.300 nan 0.000 0.493 536 L N 0.810 121.679 121.223 -0.590 0.000 2.021 536 L HA -0.210 4.135 4.340 0.008 0.000 0.215 536 L C -0.379 176.232 176.870 -0.433 0.000 1.074 536 L CA 2.212 56.660 54.840 -0.655 0.000 0.760 536 L CB -2.043 39.684 42.059 -0.553 0.000 0.889 536 L HN 0.139 nan 8.230 nan 0.000 0.433 537 P HA -0.226 nan 4.420 nan 0.000 0.215 537 P C 1.341 178.508 177.300 -0.221 0.000 1.163 537 P CA 1.670 64.670 63.100 -0.166 0.000 0.894 537 P CB -0.040 31.606 31.700 -0.091 0.000 0.791 538 K N -1.252 118.980 120.400 -0.280 0.000 2.152 538 K HA -0.137 4.188 4.320 0.008 0.000 0.206 538 K C 1.930 178.326 176.600 -0.341 0.000 1.048 538 K CA 0.890 57.016 56.287 -0.267 0.000 0.933 538 K CB -0.740 31.627 32.500 -0.222 0.000 0.721 538 K HN 0.055 nan 8.250 nan 0.000 0.447 539 L N 1.240 122.134 121.223 -0.547 0.000 2.217 539 L HA -0.067 4.278 4.340 0.008 0.000 0.211 539 L C 1.903 178.627 176.870 -0.244 0.000 1.107 539 L CA 1.052 55.625 54.840 -0.444 0.000 0.783 539 L CB -0.451 41.251 42.059 -0.594 0.000 0.919 539 L HN 0.136 nan 8.230 nan 0.000 0.442 540 L N -1.066 120.025 121.223 -0.219 0.000 1.990 540 L HA -0.214 4.131 4.340 0.008 0.000 0.213 540 L C 2.398 179.205 176.870 -0.105 0.000 1.072 540 L CA 2.360 57.120 54.840 -0.133 0.000 0.755 540 L CB -1.199 40.795 42.059 -0.108 0.000 0.889 540 L HN 0.178 nan 8.230 nan 0.000 0.432 541 S N 0.214 115.849 115.700 -0.110 0.000 2.392 541 S HA -0.063 4.412 4.470 0.008 0.000 0.232 541 S C 1.147 175.706 174.600 -0.069 0.000 1.041 541 S CA 1.036 59.188 58.200 -0.080 0.000 1.026 541 S CB -0.799 62.354 63.200 -0.077 0.000 0.845 541 S HN 0.801 nan 8.310 nan 0.000 0.465 542 A N 0.000 122.771 122.820 -0.081 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 542 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486