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 2whp_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 DPXXXXSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.417 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 4.028 112.839 108.800 0.019 0.000 4.083 2 G HA2 -0.159 3.803 3.960 0.002 0.000 0.179 2 G HA3 -0.159 3.803 3.960 0.002 0.000 0.179 2 G C 0.608 175.517 174.900 0.014 0.000 2.061 2 G CA -0.012 45.097 45.100 0.014 0.000 1.122 2 G HN 0.346 nan 8.290 nan 0.000 0.350 3 R N 1.340 121.848 120.500 0.014 0.000 2.393 3 R HA 0.496 4.838 4.340 0.002 0.000 0.244 3 R C 0.601 176.911 176.300 0.016 0.000 0.920 3 R CA 0.159 56.267 56.100 0.013 0.000 1.076 3 R CB 0.438 30.744 30.300 0.010 0.000 1.119 3 R HN 0.510 nan 8.270 nan 0.000 0.524 4 E N 0.145 120.358 120.200 0.021 0.000 2.312 4 E HA 0.032 4.384 4.350 0.002 0.000 0.259 4 E C -0.768 175.853 176.600 0.035 0.000 1.122 4 E CA -0.567 55.849 56.400 0.026 0.000 0.922 4 E CB 0.698 30.416 29.700 0.031 0.000 1.109 4 E HN -0.051 nan 8.360 nan 0.000 0.442 5 D N 2.164 122.592 120.400 0.045 0.000 2.338 5 D HA 0.025 4.666 4.640 0.002 0.000 0.255 5 D C -1.633 174.706 176.300 0.066 0.000 1.237 5 D CA -1.851 52.189 54.000 0.067 0.000 0.883 5 D CB 1.065 41.925 40.800 0.099 0.000 1.087 5 D HN 0.167 nan 8.370 nan 0.000 0.485 6 P HA -0.149 nan 4.420 nan 0.000 0.225 6 P C 0.878 178.195 177.300 0.029 0.000 1.148 6 P CA 0.776 63.895 63.100 0.032 0.000 0.779 6 P CB 0.480 32.189 31.700 0.014 0.000 0.780 7 Q N -0.759 119.055 119.800 0.023 0.000 2.472 7 Q HA 0.131 4.473 4.340 0.002 0.000 0.208 7 Q C 1.668 177.724 176.000 0.094 0.000 0.958 7 Q CA 0.609 56.397 55.803 -0.025 0.000 0.932 7 Q CB -0.344 28.240 28.738 -0.258 0.000 1.007 7 Q HN 0.291 nan 8.270 nan 0.000 0.508 8 L N -0.214 121.097 121.223 0.146 0.000 2.857 8 L HA 0.293 4.634 4.340 0.002 0.000 0.249 8 L C -0.577 176.474 176.870 0.301 0.000 1.172 8 L CA -0.152 54.812 54.840 0.207 0.000 0.980 8 L CB 0.521 42.627 42.059 0.078 0.000 1.299 8 L HN 0.045 nan 8.230 nan 0.000 0.535 9 L N 0.628 121.976 121.223 0.208 0.000 2.287 9 L HA 0.622 4.963 4.340 0.002 0.000 0.287 9 L C -0.703 176.218 176.870 0.084 0.000 1.022 9 L CA -0.541 54.398 54.840 0.166 0.000 0.814 9 L CB 1.972 44.086 42.059 0.092 0.000 1.217 9 L HN -0.245 nan 8.230 nan 0.000 0.420 10 V N 2.935 122.866 119.914 0.028 0.000 2.971 10 V HA 0.519 4.640 4.120 0.002 0.000 0.309 10 V C -0.608 175.400 176.094 -0.144 0.000 1.130 10 V CA -0.785 61.389 62.300 -0.210 0.000 0.964 10 V CB 2.805 34.229 31.823 -0.665 0.000 1.029 10 V HN 0.743 nan 8.190 nan 0.000 0.427 11 R N 2.109 122.497 120.500 -0.186 0.000 2.445 11 R HA 0.838 5.179 4.340 0.002 0.000 0.308 11 R C -0.944 175.270 176.300 -0.144 0.000 0.961 11 R CA -0.338 55.700 56.100 -0.104 0.000 0.862 11 R CB 1.872 32.114 30.300 -0.095 0.000 1.144 11 R HN 0.724 nan 8.270 nan 0.000 0.447 12 V N 1.695 121.586 119.914 -0.039 0.000 3.181 12 V HA 0.517 4.638 4.120 0.002 0.000 0.314 12 V C 1.160 177.189 176.094 -0.108 0.000 1.173 12 V CA -0.996 61.276 62.300 -0.047 0.000 1.052 12 V CB 1.639 33.568 31.823 0.177 0.000 1.123 12 V HN 0.857 nan 8.190 nan 0.000 0.454 13 R N 1.452 121.873 120.500 -0.132 0.000 2.133 13 R HA -0.052 4.289 4.340 0.002 0.000 0.247 13 R C 1.786 177.956 176.300 -0.217 0.000 1.151 13 R CA 2.511 58.524 56.100 -0.144 0.000 0.971 13 R CB -1.176 29.056 30.300 -0.113 0.000 0.866 13 R HN 1.052 nan 8.270 nan 0.000 0.447 14 G N -2.047 106.580 108.800 -0.287 0.000 2.813 14 G HA2 0.393 4.354 3.960 0.002 0.000 0.209 14 G HA3 0.393 4.354 3.960 0.002 0.000 0.209 14 G C 0.335 174.300 174.900 -1.559 0.000 1.150 14 G CA 0.352 44.987 45.100 -0.775 0.000 0.785 14 G HN 0.741 nan 8.290 nan 0.000 0.535 15 G N -1.083 107.151 108.800 -0.943 0.000 2.320 15 G HA2 0.114 4.075 3.960 0.002 0.000 0.274 15 G HA3 0.114 4.075 3.960 0.002 0.000 0.274 15 G C -1.225 173.648 174.900 -0.044 0.000 1.324 15 G CA -0.944 43.724 45.100 -0.720 0.000 0.957 15 G HN 0.264 nan 8.290 nan 0.000 0.481 16 Q N -0.383 119.538 119.800 0.202 0.000 2.235 16 Q HA 0.700 5.042 4.340 0.002 0.000 0.250 16 Q C -0.406 175.865 176.000 0.451 0.000 0.909 16 Q CA -0.232 55.733 55.803 0.270 0.000 0.910 16 Q CB 1.648 30.491 28.738 0.175 0.000 1.223 16 Q HN 0.442 nan 8.270 nan 0.000 0.432 17 L N 1.827 123.239 121.223 0.315 0.000 2.354 17 L HA 0.627 4.968 4.340 0.002 0.000 0.269 17 L C -0.530 176.523 176.870 0.305 0.000 1.005 17 L CA -0.808 54.230 54.840 0.331 0.000 0.819 17 L CB 2.191 44.473 42.059 0.372 0.000 1.311 17 L HN 0.477 nan 8.230 nan 0.000 0.423 18 R N 0.862 121.527 120.500 0.275 0.000 2.439 18 R HA 0.645 4.986 4.340 0.002 0.000 0.310 18 R C -0.378 176.018 176.300 0.160 0.000 0.955 18 R CA -0.332 55.905 56.100 0.227 0.000 0.853 18 R CB 1.731 32.097 30.300 0.110 0.000 1.171 18 R HN 0.789 nan 8.270 nan 0.000 0.449 19 G N 3.361 112.176 108.800 0.025 0.000 2.583 19 G HA2 0.481 4.443 3.960 0.002 0.000 0.280 19 G HA3 0.481 4.443 3.960 0.002 0.000 0.280 19 G C -0.992 173.680 174.900 -0.379 0.000 1.376 19 G CA -0.733 44.032 45.100 -0.557 0.000 1.043 19 G HN 0.580 nan 8.290 nan 0.000 0.538 20 I N -0.844 119.451 120.570 -0.458 0.000 2.647 20 I HA 0.508 4.680 4.170 0.002 0.000 0.295 20 I C -0.396 175.572 176.117 -0.248 0.000 1.078 20 I CA -1.097 60.037 61.300 -0.278 0.000 1.048 20 I CB 2.225 40.075 38.000 -0.250 0.000 1.239 20 I HN 0.405 nan 8.210 nan 0.000 0.421 21 R N 7.297 127.684 120.500 -0.189 0.000 2.234 21 R HA 0.540 4.881 4.340 0.002 0.000 0.324 21 R C -1.522 174.648 176.300 -0.217 0.000 1.054 21 R CA -0.348 55.605 56.100 -0.245 0.000 0.912 21 R CB 0.612 30.705 30.300 -0.345 0.000 1.030 21 R HN 0.600 nan 8.270 nan 0.000 0.455 22 L N 3.329 124.442 121.223 -0.182 0.000 2.322 22 L HA 0.472 4.814 4.340 0.002 0.000 0.269 22 L C 0.058 176.846 176.870 -0.137 0.000 1.012 22 L CA -0.907 53.855 54.840 -0.131 0.000 0.815 22 L CB 1.780 43.800 42.059 -0.065 0.000 1.295 22 L HN 0.445 nan 8.230 nan 0.000 0.438 23 K N 1.578 121.910 120.400 -0.114 0.000 2.248 23 K HA 0.629 4.950 4.320 0.002 0.000 0.281 23 K C -0.750 175.790 176.600 -0.100 0.000 1.054 23 K CA -0.291 55.937 56.287 -0.099 0.000 0.903 23 K CB 1.401 33.857 32.500 -0.074 0.000 1.077 23 K HN 0.725 nan 8.250 nan 0.000 0.474 24 A N 5.073 127.836 122.820 -0.095 0.000 2.269 24 A HA 0.492 4.814 4.320 0.002 0.000 0.327 24 A C -2.064 175.524 177.584 0.007 0.000 1.112 24 A CA -1.608 50.371 52.037 -0.097 0.000 0.865 24 A CB 0.584 19.501 19.000 -0.138 0.000 1.227 24 A HN 0.560 nan 8.150 nan 0.000 0.498 25 P HA -0.054 nan 4.420 nan 0.000 0.216 25 P C 1.212 178.541 177.300 0.048 0.000 1.150 25 P CA 1.873 65.022 63.100 0.082 0.000 0.837 25 P CB 0.202 31.975 31.700 0.121 0.000 0.786 26 G N -2.085 106.746 108.800 0.052 0.000 3.042 26 G HA2 0.460 4.421 3.960 0.002 0.000 0.212 26 G HA3 0.460 4.421 3.960 0.002 0.000 0.212 26 G C 0.505 175.421 174.900 0.027 0.000 1.166 26 G CA 0.418 45.540 45.100 0.036 0.000 0.767 26 G HN 0.579 nan 8.290 nan 0.000 0.546 27 G N -0.584 108.224 108.800 0.014 0.000 2.359 27 G HA2 0.369 4.331 3.960 0.002 0.000 0.293 27 G HA3 0.369 4.331 3.960 0.002 0.000 0.293 27 G C -3.464 171.421 174.900 -0.024 0.000 1.300 27 G CA -0.742 44.360 45.100 0.004 0.000 0.888 27 G HN 0.050 nan 8.290 nan 0.000 0.541 28 P HA 0.596 nan 4.420 nan 0.000 0.279 28 P C -0.109 177.173 177.300 -0.030 0.000 1.252 28 P CA -0.525 62.493 63.100 -0.136 0.000 0.811 28 P CB 1.682 33.161 31.700 -0.368 0.000 1.035 29 V N -2.102 117.789 119.914 -0.038 0.000 3.102 29 V HA 0.695 4.816 4.120 0.002 0.000 0.312 29 V C -0.483 175.680 176.094 0.116 0.000 1.135 29 V CA -0.901 61.463 62.300 0.107 0.000 1.022 29 V CB 1.787 33.680 31.823 0.117 0.000 1.056 29 V HN 0.403 nan 8.190 nan 0.000 0.436 30 S N 1.604 117.446 115.700 0.236 0.000 2.480 30 S HA 0.851 5.322 4.470 0.002 0.000 0.286 30 S C 0.037 174.639 174.600 0.003 0.000 1.180 30 S CA 0.038 58.327 58.200 0.148 0.000 1.075 30 S CB 1.178 64.567 63.200 0.315 0.000 0.996 30 S HN 1.547 nan 8.310 nan 0.000 0.487 31 A N 2.693 125.330 122.820 -0.306 0.000 2.355 31 A HA 0.832 5.153 4.320 0.002 0.000 0.317 31 A C -1.248 175.909 177.584 -0.712 0.000 1.094 31 A CA -0.642 51.109 52.037 -0.478 0.000 0.764 31 A CB 0.558 19.237 19.000 -0.535 0.000 1.230 31 A HN 0.691 nan 8.150 nan 0.000 0.448 32 F N 2.416 122.189 119.950 -0.295 0.000 2.513 32 F HA 0.480 5.008 4.527 0.002 0.000 0.358 32 F C -0.329 175.277 175.800 -0.323 0.000 1.118 32 F CA -0.260 57.638 58.000 -0.171 0.000 1.037 32 F CB 1.433 40.479 39.000 0.076 0.000 1.276 32 F HN 0.345 nan 8.300 nan 0.000 0.446 33 L N 2.185 123.253 121.223 -0.258 0.000 2.334 33 L HA 0.767 5.108 4.340 0.002 0.000 0.276 33 L C 0.821 177.584 176.870 -0.180 0.000 1.014 33 L CA -1.020 53.606 54.840 -0.356 0.000 0.815 33 L CB 1.807 43.438 42.059 -0.714 0.000 1.268 33 L HN 0.811 nan 8.230 nan 0.000 0.428 34 G N 2.933 111.690 108.800 -0.072 0.000 2.171 34 G HA2 -0.233 3.729 3.960 0.002 0.000 0.238 34 G HA3 -0.233 3.729 3.960 0.002 0.000 0.238 34 G C -0.191 174.751 174.900 0.069 0.000 1.039 34 G CA -0.443 44.617 45.100 -0.066 0.000 0.759 34 G HN 0.475 nan 8.290 nan 0.000 0.501 35 I N 2.302 122.929 120.570 0.094 0.000 2.396 35 I HA 0.251 4.422 4.170 0.002 0.000 0.289 35 I C -1.476 174.707 176.117 0.111 0.000 1.056 35 I CA -2.197 59.141 61.300 0.063 0.000 1.365 35 I CB 1.127 39.106 38.000 -0.034 0.000 1.407 35 I HN -0.036 nan 8.210 nan 0.000 0.509 36 P HA 0.055 nan 4.420 nan 0.000 0.276 36 P C -0.276 176.966 177.300 -0.098 0.000 1.230 36 P CA 0.027 62.973 63.100 -0.257 0.000 0.776 36 P CB 0.556 32.098 31.700 -0.263 0.000 0.888 37 F N 0.465 120.269 119.950 -0.243 0.000 2.746 37 F HA 0.724 5.252 4.527 0.003 0.000 0.320 37 F C -0.009 175.784 175.800 -0.012 0.000 1.097 37 F CA -0.742 57.186 58.000 -0.120 0.000 1.195 37 F CB 0.150 38.977 39.000 -0.288 0.000 1.056 37 F HN 0.320 nan 8.300 nan 0.000 0.562 38 A N 0.264 122.763 122.820 -0.536 0.000 2.556 38 A HA 0.603 4.924 4.320 0.002 0.000 0.294 38 A C -0.761 176.657 177.584 -0.276 0.000 1.091 38 A CA -0.739 51.093 52.037 -0.341 0.000 0.704 38 A CB 1.044 19.762 19.000 -0.470 0.000 1.300 38 A HN 0.076 nan 8.150 nan 0.000 0.406 39 E N 1.403 121.523 120.200 -0.132 0.000 2.414 39 E HA 0.190 4.541 4.350 0.002 0.000 0.263 39 E C -2.288 174.218 176.600 -0.157 0.000 1.000 39 E CA -1.265 55.072 56.400 -0.104 0.000 0.914 39 E CB -0.072 29.605 29.700 -0.039 0.000 0.948 39 E HN 0.244 nan 8.360 nan 0.000 0.444 40 P HA -0.035 nan 4.420 nan 0.000 0.258 40 P C -2.249 174.988 177.300 -0.105 0.000 1.172 40 P CA -0.551 62.465 63.100 -0.139 0.000 0.762 40 P CB -0.087 31.568 31.700 -0.076 0.000 0.764 41 P HA 0.036 nan 4.420 nan 0.000 0.214 41 P C -0.319 176.928 177.300 -0.090 0.000 1.826 41 P CA -0.008 63.039 63.100 -0.088 0.000 0.977 41 P CB 0.004 31.655 31.700 -0.082 0.000 1.930 42 V N -2.002 117.866 119.914 -0.077 0.000 3.096 42 V HA 0.914 5.036 4.120 0.002 0.000 0.319 42 V C 0.897 176.954 176.094 -0.063 0.000 1.103 42 V CA 0.200 62.454 62.300 -0.077 0.000 1.016 42 V CB 0.877 32.664 31.823 -0.060 0.000 1.090 42 V HN 0.576 nan 8.190 nan 0.000 0.449 43 G N 2.438 111.202 108.800 -0.060 0.000 2.591 43 G HA2 -0.341 3.621 3.960 0.002 0.000 0.298 43 G HA3 -0.341 3.621 3.960 0.002 0.000 0.298 43 G C 1.212 176.090 174.900 -0.037 0.000 1.195 43 G CA 1.656 46.733 45.100 -0.039 0.000 0.989 43 G HN 2.401 nan 8.290 nan 0.000 0.551 44 S N 0.407 116.098 115.700 -0.015 0.000 2.507 44 S HA 0.031 4.502 4.470 0.002 0.000 0.235 44 S C 1.914 176.512 174.600 -0.003 0.000 0.988 44 S CA 1.622 59.823 58.200 0.001 0.000 0.944 44 S CB -0.065 63.142 63.200 0.012 0.000 0.762 44 S HN 0.713 nan 8.310 nan 0.000 0.526 45 R N 0.611 121.094 120.500 -0.028 0.000 2.300 45 R HA 0.256 4.598 4.340 0.002 0.000 0.199 45 R C 0.908 177.167 176.300 -0.069 0.000 0.920 45 R CA -0.278 55.805 56.100 -0.029 0.000 1.046 45 R CB 0.027 30.308 30.300 -0.031 0.000 0.984 45 R HN 0.352 nan 8.270 nan 0.000 0.493 46 R N 0.913 121.322 120.500 -0.152 0.000 2.583 46 R HA -0.148 4.193 4.340 0.002 0.000 0.274 46 R C -0.396 175.684 176.300 -0.367 0.000 0.998 46 R CA 0.709 56.581 56.100 -0.379 0.000 1.081 46 R CB 0.134 30.057 30.300 -0.627 0.000 0.940 46 R HN 0.124 nan 8.270 nan 0.000 0.413 47 F N -0.903 119.061 119.950 0.024 0.000 2.748 47 F HA -0.313 4.215 4.527 0.002 0.000 0.370 47 F C 0.100 175.895 175.800 -0.009 0.000 0.620 47 F CA 0.697 58.690 58.000 -0.012 0.000 1.233 47 F CB -1.763 37.221 39.000 -0.027 0.000 1.708 47 F HN 0.467 nan 8.300 nan 0.000 0.298 48 M N 1.110 120.777 119.600 0.112 0.000 2.409 48 M HA 0.429 4.910 4.480 0.002 0.000 0.329 48 M C -2.022 174.310 176.300 0.053 0.000 1.180 48 M CA -1.557 53.792 55.300 0.081 0.000 1.053 48 M CB 0.768 33.403 32.600 0.058 0.000 1.586 48 M HN -0.374 nan 8.290 nan 0.000 0.461 49 P HA 0.055 nan 4.420 nan 0.000 0.266 49 P C -2.432 174.899 177.300 0.051 0.000 1.193 49 P CA -0.475 62.661 63.100 0.061 0.000 0.770 49 P CB -0.538 31.206 31.700 0.073 0.000 0.836 50 P HA 0.123 nan 4.420 nan 0.000 0.274 50 P C -0.650 176.682 177.300 0.054 0.000 1.231 50 P CA 0.003 63.128 63.100 0.042 0.000 0.790 50 P CB 0.841 32.585 31.700 0.073 0.000 0.951 51 E N 2.758 122.974 120.200 0.028 0.000 2.183 51 E HA 0.393 4.744 4.350 0.002 0.000 0.271 51 E C -2.422 174.208 176.600 0.049 0.000 0.919 51 E CA -2.935 53.489 56.400 0.042 0.000 0.781 51 E CB 0.983 30.699 29.700 0.026 0.000 1.140 51 E HN 0.228 nan 8.360 nan 0.000 0.402 52 P HA -0.075 nan 4.420 nan 0.000 0.264 52 P C -1.093 176.267 177.300 0.101 0.000 1.183 52 P CA 0.052 63.227 63.100 0.125 0.000 0.763 52 P CB 0.373 32.150 31.700 0.128 0.000 0.807 53 K N 3.891 124.369 120.400 0.130 0.000 2.401 53 K HA 0.082 4.404 4.320 0.002 0.000 0.278 53 K C 0.011 176.711 176.600 0.166 0.000 1.018 53 K CA 0.340 56.706 56.287 0.133 0.000 0.981 53 K CB 0.330 32.946 32.500 0.193 0.000 0.933 53 K HN 0.290 nan 8.250 nan 0.000 0.477 54 R N 4.780 125.368 120.500 0.146 0.000 2.404 54 R HA 0.290 4.631 4.340 0.002 0.000 0.291 54 R C -2.070 174.317 176.300 0.145 0.000 1.025 54 R CA -1.986 54.181 56.100 0.111 0.000 0.991 54 R CB 0.489 30.838 30.300 0.082 0.000 1.053 54 R HN 0.594 nan 8.270 nan 0.000 0.479 55 P HA -0.108 nan 4.420 nan 0.000 0.266 55 P C -1.038 176.264 177.300 0.004 0.000 1.193 55 P CA 0.200 63.193 63.100 -0.179 0.000 0.770 55 P CB 0.277 31.848 31.700 -0.215 0.000 0.836 56 W N 1.021 122.354 121.300 0.056 0.000 2.703 56 W HA 0.711 5.372 4.660 0.002 0.000 0.359 56 W C -0.572 175.972 176.519 0.043 0.000 1.168 56 W CA -0.898 56.477 57.345 0.050 0.000 1.177 56 W CB -0.014 29.483 29.460 0.062 0.000 1.434 56 W HN 0.384 nan 8.180 nan 0.000 0.618 57 S N 0.757 116.631 115.700 0.291 0.000 2.621 57 S HA 0.883 5.354 4.470 0.002 0.000 0.302 57 S C 0.218 174.977 174.600 0.264 0.000 1.093 57 S CA -0.139 58.165 58.200 0.173 0.000 1.017 57 S CB 1.038 64.299 63.200 0.101 0.000 1.077 57 S HN 2.160 nan 8.310 nan 0.000 0.517 58 G N -0.137 108.774 108.800 0.184 0.000 2.725 58 G HA2 -0.088 3.873 3.960 0.002 0.000 0.220 58 G HA3 -0.088 3.873 3.960 0.002 0.000 0.220 58 G C -0.837 174.216 174.900 0.254 0.000 1.357 58 G CA -0.453 44.752 45.100 0.175 0.000 0.866 58 G HN 1.618 nan 8.290 nan 0.000 0.548 59 V N 0.885 120.910 119.914 0.186 0.000 2.364 59 V HA 0.508 4.629 4.120 0.002 0.000 0.272 59 V C 0.989 177.173 176.094 0.149 0.000 1.036 59 V CA -0.225 62.194 62.300 0.199 0.000 0.880 59 V CB 1.172 33.072 31.823 0.129 0.000 0.991 59 V HN 0.833 nan 8.190 nan 0.000 0.460 60 L N 4.781 126.094 121.223 0.150 0.000 2.360 60 L HA 0.295 4.636 4.340 0.002 0.000 0.276 60 L C 0.618 177.473 176.870 -0.025 0.000 1.121 60 L CA 0.069 54.850 54.840 -0.098 0.000 0.845 60 L CB 0.596 42.349 42.059 -0.510 0.000 1.143 60 L HN 0.700 nan 8.230 nan 0.000 0.452 61 D N 5.078 125.444 120.400 -0.057 0.000 2.338 61 D HA 0.125 4.767 4.640 0.002 0.000 0.255 61 D C -0.321 175.939 176.300 -0.066 0.000 1.237 61 D CA 0.013 53.988 54.000 -0.042 0.000 0.883 61 D CB 1.443 42.208 40.800 -0.058 0.000 1.087 61 D HN 0.679 nan 8.370 nan 0.000 0.485 62 A N 3.315 126.123 122.820 -0.021 0.000 3.213 62 A HA 0.201 4.523 4.320 0.002 0.000 0.308 62 A C 1.075 178.575 177.584 -0.140 0.000 1.177 62 A CA -0.431 51.585 52.037 -0.036 0.000 1.010 62 A CB -0.178 18.905 19.000 0.138 0.000 1.092 62 A HN 0.571 nan 8.150 nan 0.000 0.583 63 T N -3.262 111.186 114.554 -0.177 0.000 3.023 63 T HA 0.245 4.597 4.350 0.002 0.000 0.253 63 T C 0.699 175.225 174.700 -0.290 0.000 1.038 63 T CA 0.768 62.728 62.100 -0.233 0.000 0.962 63 T CB -0.196 68.570 68.868 -0.170 0.000 1.018 63 T HN 0.686 nan 8.240 nan 0.000 0.521 64 T N -0.446 113.936 114.554 -0.287 0.000 2.903 64 T HA 0.691 5.043 4.350 0.002 0.000 0.299 64 T C -0.735 173.779 174.700 -0.310 0.000 1.093 64 T CA -0.911 61.003 62.100 -0.311 0.000 1.002 64 T CB 1.044 69.806 68.868 -0.177 0.000 1.127 64 T HN -0.002 nan 8.240 nan 0.000 0.488 65 F N 2.070 121.937 119.950 -0.138 0.000 2.595 65 F HA 0.292 4.821 4.527 0.002 0.000 0.359 65 F C 1.479 177.161 175.800 -0.197 0.000 1.147 65 F CA -0.055 57.861 58.000 -0.139 0.000 1.341 65 F CB 0.386 39.332 39.000 -0.089 0.000 1.104 65 F HN 0.488 nan 8.300 nan 0.000 0.603 66 Q N 1.346 121.126 119.800 -0.033 0.000 2.162 66 Q HA 0.213 4.555 4.340 0.002 0.000 0.197 66 Q C -0.163 175.736 176.000 -0.168 0.000 1.013 66 Q CA -0.754 54.865 55.803 -0.307 0.000 1.040 66 Q CB 0.576 28.800 28.738 -0.857 0.000 1.114 66 Q HN 0.514 nan 8.270 nan 0.000 0.547 67 N N -0.230 118.345 118.700 -0.209 0.000 2.345 67 N HA -0.007 4.735 4.740 0.002 0.000 0.243 67 N C -0.577 174.906 175.510 -0.044 0.000 1.246 67 N CA 0.179 53.170 53.050 -0.098 0.000 0.863 67 N CB 0.339 38.789 38.487 -0.062 0.000 1.096 67 N HN 0.169 nan 8.380 nan 0.000 0.446 68 V N 1.755 121.617 119.914 -0.086 0.000 2.509 68 V HA 0.098 4.219 4.120 0.002 0.000 0.284 68 V C 0.588 176.626 176.094 -0.092 0.000 1.047 68 V CA -0.879 61.361 62.300 -0.100 0.000 0.952 68 V CB 1.048 32.774 31.823 -0.162 0.000 0.988 68 V HN 0.707 nan 8.190 nan 0.000 0.469 69 c N 4.475 123.041 118.600 -0.057 0.000 2.611 69 c HA 0.080 4.651 4.570 0.002 0.000 0.416 69 c C 0.557 174.602 174.090 -0.075 0.000 1.366 69 c CA -0.545 55.754 56.329 -0.050 0.000 1.761 69 c CB -1.242 41.267 42.510 -0.001 0.000 2.619 69 c HN 0.752 nan 8.230 nan 0.000 0.606 70 Y N 3.902 124.047 120.300 -0.258 0.000 2.810 70 Y HA 0.191 4.742 4.550 0.002 0.000 0.332 70 Y C 0.889 176.760 175.900 -0.048 0.000 1.243 70 Y CA 1.087 59.032 58.100 -0.258 0.000 1.537 70 Y CB 0.219 38.327 38.460 -0.588 0.000 1.265 70 Y HN 0.746 nan 8.280 nan 0.000 0.572 71 Q N 3.924 123.810 119.800 0.145 0.000 2.578 71 Q HA 0.202 4.544 4.340 0.002 0.000 0.284 71 Q C -1.826 174.333 176.000 0.265 0.000 0.960 71 Q CA -1.215 54.752 55.803 0.275 0.000 0.809 71 Q CB 1.180 30.014 28.738 0.159 0.000 1.462 71 Q HN 0.659 nan 8.270 nan 0.000 0.392 72 Y N 1.134 121.576 120.300 0.237 0.000 2.712 72 Y HA 0.281 4.832 4.550 0.002 0.000 0.333 72 Y C -0.888 175.100 175.900 0.146 0.000 1.225 72 Y CA 0.410 58.620 58.100 0.183 0.000 1.499 72 Y CB 0.827 39.375 38.460 0.147 0.000 1.288 72 Y HN 0.440 nan 8.280 nan 0.000 0.575 73 V N 7.109 126.722 119.914 -0.502 0.000 2.347 73 V HA 0.124 4.246 4.120 0.002 0.000 0.280 73 V C -0.377 175.456 176.094 -0.434 0.000 1.021 73 V CA -1.079 61.032 62.300 -0.315 0.000 0.847 73 V CB 1.253 32.950 31.823 -0.210 0.000 0.990 73 V HN 0.739 nan 8.190 nan 0.000 0.444 74 D N 3.581 123.953 120.400 -0.047 0.000 2.389 74 D HA 0.198 4.840 4.640 0.002 0.000 0.247 74 D C 0.790 177.168 176.300 0.131 0.000 1.128 74 D CA 0.367 54.472 54.000 0.176 0.000 0.884 74 D CB 1.769 42.809 40.800 0.399 0.000 1.194 74 D HN 0.756 nan 8.370 nan 0.000 0.441 75 T N -0.532 114.115 114.554 0.156 0.000 3.275 75 T HA 0.046 4.397 4.350 0.002 0.000 0.298 75 T C 1.438 176.183 174.700 0.074 0.000 0.988 75 T CA -0.439 61.721 62.100 0.099 0.000 0.936 75 T CB 0.042 68.937 68.868 0.045 0.000 1.159 75 T HN 0.109 nan 8.240 nan 0.000 0.519 76 L N 0.774 122.035 121.223 0.063 0.000 2.012 76 L HA 0.164 4.505 4.340 0.002 0.000 0.210 76 L C -0.169 176.434 176.870 -0.445 0.000 1.073 76 L CA 1.700 56.382 54.840 -0.263 0.000 0.748 76 L CB -0.327 41.407 42.059 -0.542 0.000 0.891 76 L HN 0.430 nan 8.230 nan 0.000 0.431 77 Y N -0.451 119.892 120.300 0.073 0.000 2.584 77 Y HA 0.411 4.962 4.550 0.002 0.000 0.358 77 Y C -2.192 173.775 175.900 0.113 0.000 1.028 77 Y CA -3.644 54.476 58.100 0.033 0.000 1.148 77 Y CB -0.323 38.091 38.460 -0.078 0.000 1.126 77 Y HN 0.040 nan 8.280 nan 0.000 0.658 78 P HA 0.014 nan 4.420 nan 0.000 0.255 78 P C 1.068 178.445 177.300 0.128 0.000 1.161 78 P CA 1.943 65.119 63.100 0.128 0.000 0.768 78 P CB 0.418 32.164 31.700 0.076 0.000 0.746 79 G N 2.765 111.625 108.800 0.101 0.000 2.179 79 G HA2 -0.299 3.662 3.960 0.002 0.000 0.260 79 G HA3 -0.299 3.662 3.960 0.002 0.000 0.260 79 G C -0.015 174.928 174.900 0.073 0.000 0.977 79 G CA -0.251 44.883 45.100 0.057 0.000 0.641 79 G HN 0.562 nan 8.290 nan 0.000 0.533 80 F N 2.238 122.160 119.950 -0.046 0.000 2.445 80 F HA 0.618 5.147 4.527 0.002 0.000 0.359 80 F C 1.160 176.877 175.800 -0.138 0.000 1.101 80 F CA 0.479 58.406 58.000 -0.121 0.000 1.177 80 F CB 0.766 39.676 39.000 -0.150 0.000 1.110 80 F HN 0.237 nan 8.300 nan 0.000 0.522 81 E N 4.315 124.058 120.200 -0.761 0.000 2.209 81 E HA -0.083 4.269 4.350 0.002 0.000 0.196 81 E C 2.087 178.201 176.600 -0.810 0.000 0.993 81 E CA 1.254 57.266 56.400 -0.647 0.000 0.819 81 E CB -1.412 27.992 29.700 -0.494 0.000 0.745 81 E HN 0.968 nan 8.360 nan 0.000 0.477 82 G N 0.653 108.414 108.800 -1.732 0.000 2.440 82 G HA2 -0.263 3.699 3.960 0.002 0.000 0.218 82 G HA3 -0.263 3.699 3.960 0.002 0.000 0.218 82 G C 2.126 177.050 174.900 0.039 0.000 1.154 82 G CA 2.566 46.958 45.100 -1.179 0.000 0.767 82 G HN 0.736 nan 8.290 nan 0.000 0.552 83 T N -2.087 112.511 114.554 0.073 0.000 3.031 83 T HA 0.142 4.493 4.350 0.002 0.000 0.254 83 T C 1.934 176.808 174.700 0.290 0.000 1.060 83 T CA 0.934 63.356 62.100 0.537 0.000 1.135 83 T CB 0.085 69.334 68.868 0.635 0.000 0.896 83 T HN 0.151 nan 8.240 nan 0.000 0.472 84 E N 2.312 122.528 120.200 0.027 0.000 2.106 84 E HA -0.084 4.268 4.350 0.002 0.000 0.192 84 E C 2.302 178.806 176.600 -0.161 0.000 0.984 84 E CA 1.379 57.751 56.400 -0.047 0.000 0.806 84 E CB -0.524 29.113 29.700 -0.104 0.000 0.750 84 E HN 0.800 nan 8.360 nan 0.000 0.458 85 M N -1.816 117.586 119.600 -0.331 0.000 2.267 85 M HA -0.119 4.362 4.480 0.002 0.000 0.263 85 M C 1.535 177.453 176.300 -0.637 0.000 1.063 85 M CA 1.617 56.572 55.300 -0.574 0.000 1.090 85 M CB -0.779 31.337 32.600 -0.808 0.000 1.392 85 M HN 0.013 nan 8.290 nan 0.000 0.422 86 W N 1.194 122.415 121.300 -0.131 0.000 3.003 86 W HA 0.218 4.879 4.660 0.002 0.000 0.257 86 W C 0.509 176.939 176.519 -0.148 0.000 1.308 86 W CA -0.840 56.415 57.345 -0.151 0.000 1.529 86 W CB -0.348 29.078 29.460 -0.057 0.000 1.115 86 W HN 0.140 nan 8.180 nan 0.000 0.659 87 N N 1.346 120.068 118.700 0.037 0.000 2.503 87 N HA 0.132 4.873 4.740 0.002 0.000 0.267 87 N C -2.411 173.035 175.510 -0.106 0.000 1.214 87 N CA -1.608 51.433 53.050 -0.015 0.000 0.959 87 N CB -0.169 38.309 38.487 -0.014 0.000 1.142 87 N HN -0.343 nan 8.380 nan 0.000 0.455 88 P HA -0.001 nan 4.420 nan 0.000 0.261 88 P C 0.212 177.416 177.300 -0.160 0.000 1.173 88 P CA 0.233 63.235 63.100 -0.162 0.000 0.760 88 P CB 0.270 31.872 31.700 -0.163 0.000 0.783 89 N N 2.368 120.959 118.700 -0.182 0.000 2.235 89 N HA 0.085 4.827 4.740 0.002 0.000 0.231 89 N C 0.010 175.440 175.510 -0.132 0.000 1.177 89 N CA -0.102 52.851 53.050 -0.161 0.000 0.874 89 N CB 0.462 38.836 38.487 -0.188 0.000 1.097 89 N HN 0.148 nan 8.380 nan 0.000 0.518 90 R N 0.078 120.497 120.500 -0.135 0.000 2.817 90 R HA 0.278 4.620 4.340 0.002 0.000 0.268 90 R C -0.627 175.598 176.300 -0.125 0.000 1.027 90 R CA -0.686 55.348 56.100 -0.109 0.000 0.928 90 R CB 0.841 31.084 30.300 -0.094 0.000 1.228 90 R HN 0.283 nan 8.270 nan 0.000 0.469 91 E N 1.679 121.811 120.200 -0.114 0.000 2.452 91 E HA 0.008 4.359 4.350 0.002 0.000 0.261 91 E C -0.432 176.069 176.600 -0.164 0.000 0.987 91 E CA -0.052 56.271 56.400 -0.127 0.000 0.926 91 E CB 0.519 30.160 29.700 -0.097 0.000 0.934 91 E HN 0.277 nan 8.360 nan 0.000 0.452 92 L N 3.610 124.684 121.223 -0.248 0.000 2.410 92 L HA 0.184 4.525 4.340 0.002 0.000 0.273 92 L C 0.403 177.126 176.870 -0.245 0.000 1.152 92 L CA 0.129 54.739 54.840 -0.384 0.000 0.855 92 L CB 0.901 42.468 42.059 -0.820 0.000 1.129 92 L HN 0.454 nan 8.230 nan 0.000 0.463 93 S N 1.124 116.765 115.700 -0.098 0.000 2.552 93 S HA 0.204 4.675 4.470 0.002 0.000 0.272 93 S C 0.259 174.871 174.600 0.020 0.000 1.150 93 S CA -0.684 57.549 58.200 0.055 0.000 0.849 93 S CB 1.622 64.827 63.200 0.007 0.000 1.113 93 S HN 0.737 nan 8.310 nan 0.000 0.458 94 E N 0.902 121.082 120.200 -0.034 0.000 2.274 94 E HA -0.059 4.292 4.350 0.002 0.000 0.194 94 E C -0.288 176.264 176.600 -0.080 0.000 0.996 94 E CA 0.453 56.756 56.400 -0.160 0.000 0.840 94 E CB 0.069 29.633 29.700 -0.227 0.000 0.772 94 E HN 0.544 nan 8.360 nan 0.000 0.491 95 D N 0.543 120.929 120.400 -0.023 0.000 2.455 95 D HA -0.019 4.622 4.640 0.002 0.000 0.234 95 D C 0.113 176.498 176.300 0.141 0.000 1.224 95 D CA -0.175 53.841 54.000 0.027 0.000 0.999 95 D CB -0.065 40.769 40.800 0.056 0.000 1.072 95 D HN 0.165 nan 8.370 nan 0.000 0.514 96 c N 2.345 120.998 118.600 0.088 0.000 4.015 96 c HA 0.350 4.922 4.570 0.002 0.000 0.323 96 c C 0.635 174.812 174.090 0.145 0.000 1.724 96 c CA -0.660 55.786 56.329 0.194 0.000 1.828 96 c CB -1.175 41.377 42.510 0.070 0.000 3.083 96 c HN 0.413 nan 8.230 nan 0.000 0.640 97 L N 2.586 123.651 121.223 -0.264 0.000 2.395 97 L HA 0.399 4.740 4.340 0.002 0.000 0.268 97 L C -0.915 175.393 176.870 -0.936 0.000 1.223 97 L CA 0.613 55.106 54.840 -0.579 0.000 1.093 97 L CB -0.687 40.858 42.059 -0.855 0.000 1.349 97 L HN 0.389 nan 8.230 nan 0.000 0.427 98 Y N 2.232 122.530 120.300 -0.002 0.000 2.581 98 Y HA 0.652 5.203 4.550 0.002 0.000 0.345 98 Y C -0.111 175.979 175.900 0.317 0.000 1.036 98 Y CA -1.189 56.975 58.100 0.107 0.000 1.042 98 Y CB 2.062 40.530 38.460 0.013 0.000 1.289 98 Y HN 0.228 nan 8.280 nan 0.000 0.471 99 L N -0.344 121.062 121.223 0.305 0.000 2.303 99 L HA 0.789 5.131 4.340 0.002 0.000 0.256 99 L C -1.417 175.448 176.870 -0.008 0.000 1.034 99 L CA -1.180 53.715 54.840 0.092 0.000 0.832 99 L CB 1.771 43.707 42.059 -0.206 0.000 1.403 99 L HN 0.471 nan 8.230 nan 0.000 0.419 100 N N -0.131 118.560 118.700 -0.014 0.000 2.249 100 N HA 0.715 5.457 4.740 0.002 0.000 0.296 100 N C -1.592 173.823 175.510 -0.158 0.000 1.051 100 N CA -0.351 52.615 53.050 -0.140 0.000 0.815 100 N CB 2.875 41.313 38.487 -0.083 0.000 1.487 100 N HN 0.516 nan 8.380 nan 0.000 0.475 101 V N 1.861 121.615 119.914 -0.265 0.000 2.531 101 V HA 0.494 4.616 4.120 0.002 0.000 0.301 101 V C -0.740 175.312 176.094 -0.070 0.000 1.034 101 V CA -0.754 61.486 62.300 -0.100 0.000 0.865 101 V CB 2.049 33.681 31.823 -0.318 0.000 0.995 101 V HN 0.522 nan 8.190 nan 0.000 0.424 102 W N 2.828 124.212 121.300 0.141 0.000 2.606 102 W HA 0.717 5.379 4.660 0.003 0.000 0.332 102 W C 0.102 176.719 176.519 0.163 0.000 1.052 102 W CA -0.508 56.923 57.345 0.144 0.000 1.223 102 W CB 2.456 31.978 29.460 0.104 0.000 1.383 102 W HN 0.635 nan 8.180 nan 0.000 0.524 103 T N -0.421 114.380 114.554 0.411 0.000 2.868 103 T HA 0.466 4.817 4.350 0.002 0.000 0.306 103 T C -2.882 171.986 174.700 0.280 0.000 1.224 103 T CA -2.260 60.034 62.100 0.322 0.000 1.012 103 T CB 2.079 71.158 68.868 0.352 0.000 1.221 103 T HN -0.092 nan 8.240 nan 0.000 0.499 104 P HA 0.175 nan 4.420 nan 0.000 0.270 104 P C -1.526 175.920 177.300 0.243 0.000 1.221 104 P CA -0.049 63.167 63.100 0.194 0.000 0.788 104 P CB 0.073 31.857 31.700 0.140 0.000 0.904 105 Y N 1.711 122.062 120.300 0.086 0.000 2.346 105 Y HA 0.455 5.006 4.550 0.002 0.000 0.332 105 Y C -2.405 173.528 175.900 0.055 0.000 0.985 105 Y CA -2.453 55.691 58.100 0.074 0.000 1.112 105 Y CB 0.976 39.467 38.460 0.051 0.000 1.170 105 Y HN 0.340 nan 8.280 nan 0.000 0.447 106 P HA 0.307 nan 4.420 nan 0.000 0.275 106 P C -0.865 176.392 177.300 -0.073 0.000 1.266 106 P CA -0.498 62.385 63.100 -0.361 0.000 0.793 106 P CB 0.775 32.301 31.700 -0.291 0.000 1.074 107 R N 0.547 121.029 120.500 -0.030 0.000 2.734 107 R HA 0.185 4.526 4.340 0.002 0.000 0.266 107 R C -1.925 174.405 176.300 0.049 0.000 1.044 107 R CA -1.079 55.063 56.100 0.071 0.000 1.128 107 R CB -1.023 29.339 30.300 0.103 0.000 1.010 107 R HN 0.421 nan 8.270 nan 0.000 0.461 108 P HA -0.045 nan 4.420 nan 0.000 0.266 108 P C -0.352 176.968 177.300 0.033 0.000 1.195 108 P CA 0.312 63.444 63.100 0.054 0.000 0.768 108 P CB 0.766 32.508 31.700 0.069 0.000 0.838 109 A N 2.154 124.986 122.820 0.019 0.000 2.072 109 A HA 0.121 4.442 4.320 0.002 0.000 0.216 109 A C 0.898 178.487 177.584 0.007 0.000 1.156 109 A CA 0.978 53.019 52.037 0.007 0.000 0.701 109 A CB -0.435 18.565 19.000 0.001 0.000 0.816 109 A HN 0.605 nan 8.150 nan 0.000 0.458 110 S N -0.811 114.897 115.700 0.013 0.000 2.600 110 S HA 0.651 5.122 4.470 0.002 0.000 0.300 110 S C -3.282 171.328 174.600 0.018 0.000 1.087 110 S CA -1.854 56.352 58.200 0.010 0.000 0.965 110 S CB 1.290 64.493 63.200 0.004 0.000 1.089 110 S HN -0.032 nan 8.310 nan 0.000 0.496 111 P HA 0.201 nan 4.420 nan 0.000 0.260 111 P C -0.661 176.652 177.300 0.022 0.000 1.185 111 P CA 0.278 63.389 63.100 0.019 0.000 0.763 111 P CB 0.052 31.755 31.700 0.005 0.000 0.776 112 T N 5.453 120.032 114.554 0.042 0.000 2.859 112 T HA 0.414 4.765 4.350 0.002 0.000 0.281 112 T C -2.430 172.297 174.700 0.045 0.000 1.005 112 T CA -1.957 60.168 62.100 0.043 0.000 1.025 112 T CB 0.882 69.789 68.868 0.065 0.000 0.977 112 T HN 0.130 nan 8.240 nan 0.000 0.458 113 P HA 0.150 nan 4.420 nan 0.000 0.265 113 P C -0.920 176.415 177.300 0.057 0.000 1.187 113 P CA -0.173 62.940 63.100 0.023 0.000 0.766 113 P CB 0.400 32.096 31.700 -0.008 0.000 0.820 114 V N 4.977 124.942 119.914 0.084 0.000 2.513 114 V HA 0.352 4.473 4.120 0.002 0.000 0.299 114 V C 0.251 176.422 176.094 0.128 0.000 1.035 114 V CA -0.564 61.811 62.300 0.124 0.000 0.889 114 V CB 1.428 33.340 31.823 0.149 0.000 0.988 114 V HN 0.352 nan 8.190 nan 0.000 0.440 115 L N 5.500 126.815 121.223 0.154 0.000 2.322 115 L HA 0.615 4.957 4.340 0.002 0.000 0.281 115 L C -0.711 176.396 176.870 0.395 0.000 1.014 115 L CA -0.399 54.558 54.840 0.194 0.000 0.815 115 L CB 1.781 43.860 42.059 0.033 0.000 1.247 115 L HN 0.480 nan 8.230 nan 0.000 0.421 116 I N 2.723 123.570 120.570 0.461 0.000 2.382 116 I HA 0.224 4.396 4.170 0.002 0.000 0.286 116 I C -0.699 175.698 176.117 0.467 0.000 1.002 116 I CA -0.437 61.104 61.300 0.401 0.000 1.135 116 I CB 1.702 39.815 38.000 0.188 0.000 1.288 116 I HN 0.634 nan 8.210 nan 0.000 0.448 117 W N 8.551 129.937 121.300 0.143 0.000 2.338 117 W HA 0.562 5.222 4.660 0.001 0.000 0.307 117 W C -1.505 174.906 176.519 -0.180 0.000 1.167 117 W CA -0.604 56.597 57.345 -0.239 0.000 1.208 117 W CB 1.187 30.523 29.460 -0.207 0.000 1.228 117 W HN 0.356 nan 8.180 nan 0.000 0.499 118 I N 8.954 128.899 120.570 -1.041 0.000 2.382 118 I HA 0.088 4.260 4.170 0.002 0.000 0.285 118 I C -0.200 175.092 176.117 -1.375 0.000 1.007 118 I CA -1.113 59.614 61.300 -0.955 0.000 1.142 118 I CB 0.683 38.306 38.000 -0.629 0.000 1.289 118 I HN 0.287 nan 8.210 nan 0.000 0.453 119 Y N 4.576 124.400 120.300 -0.794 0.000 2.379 119 Y HA 0.686 5.237 4.550 0.002 0.000 0.337 119 Y C 0.785 176.498 175.900 -0.312 0.000 1.238 119 Y CA -0.859 56.892 58.100 -0.582 0.000 1.405 119 Y CB -0.056 38.294 38.460 -0.185 0.000 1.310 119 Y HN 0.539 nan 8.280 nan 0.000 0.569 120 G N -0.631 108.153 108.800 -0.025 0.000 2.543 120 G HA2 0.476 4.437 3.960 0.002 0.000 0.267 120 G HA3 0.476 4.437 3.960 0.002 0.000 0.267 120 G C 0.318 175.153 174.900 -0.109 0.000 1.406 120 G CA -0.903 44.110 45.100 -0.145 0.000 1.048 120 G HN 1.765 nan 8.290 nan 0.000 0.548 121 G N -2.834 105.726 108.800 -0.401 0.000 2.188 121 G HA2 0.397 4.358 3.960 0.002 0.000 0.112 121 G HA3 0.397 4.358 3.960 0.002 0.000 0.112 121 G C 1.069 175.366 174.900 -1.006 0.000 1.048 121 G CA 0.684 45.412 45.100 -0.619 0.000 0.720 121 G HN 2.369 nan 8.290 nan 0.000 0.487 122 G N -0.662 107.512 108.800 -1.044 0.000 2.168 122 G HA2 -0.120 3.842 3.960 0.002 0.000 0.257 122 G HA3 -0.120 3.842 3.960 0.002 0.000 0.257 122 G C 0.911 175.453 174.900 -0.596 0.000 0.997 122 G CA 0.799 45.019 45.100 -1.467 0.000 0.708 122 G HN 1.824 nan 8.290 nan 0.000 0.520 123 F N -3.117 116.646 119.950 -0.312 0.000 2.935 123 F HA -0.309 4.219 4.527 0.002 0.000 0.317 123 F C 1.407 177.287 175.800 0.133 0.000 0.699 123 F CA 2.214 60.182 58.000 -0.053 0.000 1.127 123 F CB -2.063 36.763 39.000 -0.290 0.000 1.491 123 F HN 0.984 nan 8.300 nan 0.000 0.337 124 Y N -1.140 119.219 120.300 0.098 0.000 2.527 124 Y HA 0.662 5.213 4.550 0.002 0.000 0.247 124 Y C 0.483 176.443 175.900 0.100 0.000 1.138 124 Y CA 0.136 58.321 58.100 0.142 0.000 1.228 124 Y CB -0.012 38.481 38.460 0.056 0.000 1.252 124 Y HN 0.096 nan 8.280 nan 0.000 0.531 125 S N -0.939 114.519 115.700 -0.404 0.000 2.661 125 S HA 0.869 5.340 4.470 0.002 0.000 0.268 125 S C -0.187 174.253 174.600 -0.267 0.000 1.162 125 S CA -0.498 57.528 58.200 -0.290 0.000 0.817 125 S CB 1.404 64.363 63.200 -0.402 0.000 1.141 125 S HN 1.421 nan 8.310 nan 0.000 0.477 126 G N -0.652 107.958 108.800 -0.316 0.000 2.515 126 G HA2 0.548 4.509 3.960 0.002 0.000 0.686 126 G HA3 0.548 4.509 3.960 0.002 0.000 0.686 126 G C -0.646 173.600 174.900 -1.091 0.000 1.274 126 G CA -0.255 44.493 45.100 -0.585 0.000 0.874 126 G HN 2.262 nan 8.290 nan 0.000 0.631 127 A N -1.053 120.986 122.820 -1.302 0.000 2.594 127 A HA 0.997 5.319 4.320 0.002 0.000 0.296 127 A C 0.549 177.901 177.584 -0.387 0.000 1.061 127 A CA 0.627 52.154 52.037 -0.851 0.000 0.689 127 A CB 0.937 19.694 19.000 -0.406 0.000 1.280 127 A HN 2.589 nan 8.150 nan 0.000 0.406 128 A N 0.457 123.288 122.820 0.017 0.000 2.208 128 A HA 0.277 4.598 4.320 0.002 0.000 0.209 128 A C 1.623 179.239 177.584 0.054 0.000 1.161 128 A CA 1.658 53.890 52.037 0.325 0.000 0.782 128 A CB -0.541 18.725 19.000 0.444 0.000 0.816 128 A HN 1.781 nan 8.150 nan 0.000 0.477 129 S N -0.460 115.042 115.700 -0.331 0.000 2.575 129 S HA 0.329 4.800 4.470 0.002 0.000 0.215 129 S C 0.489 174.651 174.600 -0.729 0.000 0.966 129 S CA -0.467 57.100 58.200 -1.054 0.000 0.911 129 S CB -0.569 61.896 63.200 -1.225 0.000 0.780 129 S HN 0.385 nan 8.310 nan 0.000 0.514 130 L N 2.099 123.047 121.223 -0.458 0.000 2.467 130 L HA 0.176 4.518 4.340 0.002 0.000 0.270 130 L C 1.197 177.743 176.870 -0.540 0.000 1.205 130 L CA -0.510 54.005 54.840 -0.543 0.000 0.828 130 L CB 0.176 41.791 42.059 -0.739 0.000 1.101 130 L HN 0.052 nan 8.230 nan 0.000 0.479 131 D N 1.007 121.131 120.400 -0.461 0.000 2.158 131 D HA -0.149 4.493 4.640 0.002 0.000 0.197 131 D C 1.969 177.984 176.300 -0.476 0.000 0.995 131 D CA 1.332 55.117 54.000 -0.358 0.000 0.846 131 D CB -0.082 40.549 40.800 -0.283 0.000 0.941 131 D HN 0.517 nan 8.370 nan 0.000 0.456 132 V N -1.318 118.157 119.914 -0.732 0.000 3.078 132 V HA -0.155 3.967 4.120 0.002 0.000 0.265 132 V C 0.979 176.460 176.094 -1.022 0.000 1.122 132 V CA 1.034 62.850 62.300 -0.806 0.000 1.141 132 V CB -1.167 30.109 31.823 -0.911 0.000 0.735 132 V HN 0.092 nan 8.190 nan 0.000 0.498 133 Y N -0.148 119.586 120.300 -0.942 0.000 2.607 133 Y HA 0.455 5.006 4.550 0.002 0.000 0.266 133 Y C 0.780 176.117 175.900 -0.938 0.000 1.178 133 Y CA -2.062 55.139 58.100 -1.498 0.000 1.226 133 Y CB -0.633 37.287 38.460 -0.899 0.000 1.144 133 Y HN 0.210 nan 8.280 nan 0.000 0.528 134 D N 0.890 120.999 120.400 -0.485 0.000 2.389 134 D HA 0.038 4.680 4.640 0.002 0.000 0.263 134 D C 1.418 177.396 176.300 -0.537 0.000 1.255 134 D CA 0.531 54.305 54.000 -0.376 0.000 0.914 134 D CB 1.259 41.975 40.800 -0.141 0.000 1.116 134 D HN 0.477 nan 8.370 nan 0.000 0.502 135 G N 3.994 111.894 108.800 -1.500 0.000 2.920 135 G HA2 -0.178 3.783 3.960 0.002 0.000 0.208 135 G HA3 -0.178 3.783 3.960 0.002 0.000 0.208 135 G C 1.490 175.841 174.900 -0.914 0.000 1.159 135 G CA 0.312 44.701 45.100 -1.184 0.000 0.784 135 G HN 0.631 nan 8.290 nan 0.000 0.535 136 R N -0.628 119.274 120.500 -0.996 0.000 2.127 136 R HA -0.051 4.290 4.340 0.002 0.000 0.238 136 R C 1.668 177.686 176.300 -0.471 0.000 1.134 136 R CA 1.392 57.131 56.100 -0.601 0.000 0.975 136 R CB -0.648 29.306 30.300 -0.577 0.000 0.865 136 R HN 0.323 nan 8.270 nan 0.000 0.447 137 F N 1.288 121.149 119.950 -0.149 0.000 2.149 137 F HA 0.086 4.615 4.527 0.003 0.000 0.294 137 F C 2.293 178.034 175.800 -0.098 0.000 1.095 137 F CA 0.650 58.586 58.000 -0.107 0.000 1.276 137 F CB -0.579 38.347 39.000 -0.123 0.000 1.023 137 F HN -0.137 nan 8.300 nan 0.000 0.480 138 L N -0.060 121.188 121.223 0.041 0.000 2.017 138 L HA -0.222 4.119 4.340 0.002 0.000 0.208 138 L C 2.752 179.624 176.870 0.003 0.000 1.073 138 L CA 1.270 56.096 54.840 -0.023 0.000 0.745 138 L CB -0.998 40.999 42.059 -0.104 0.000 0.894 138 L HN 0.182 nan 8.230 nan 0.000 0.432 139 A N -0.947 121.878 122.820 0.007 0.000 1.865 139 A HA -0.266 4.056 4.320 0.002 0.000 0.217 139 A C 2.289 179.911 177.584 0.064 0.000 1.191 139 A CA 1.738 53.816 52.037 0.069 0.000 0.623 139 A CB -0.593 18.488 19.000 0.134 0.000 0.826 139 A HN 0.406 nan 8.150 nan 0.000 0.444 140 Q N -0.246 119.575 119.800 0.036 0.000 2.046 140 Q HA -0.091 4.251 4.340 0.002 0.000 0.200 140 Q C 2.209 178.238 176.000 0.049 0.000 0.975 140 Q CA 2.087 57.917 55.803 0.045 0.000 0.836 140 Q CB -0.283 28.467 28.738 0.021 0.000 0.896 140 Q HN 0.429 nan 8.270 nan 0.000 0.428 141 V N 0.988 120.931 119.914 0.048 0.000 2.446 141 V HA -0.087 4.034 4.120 0.002 0.000 0.244 141 V C 1.713 177.820 176.094 0.022 0.000 1.039 141 V CA 1.367 63.689 62.300 0.036 0.000 1.045 141 V CB -0.129 31.715 31.823 0.033 0.000 0.681 141 V HN 0.210 nan 8.190 nan 0.000 0.459 142 E N -0.050 120.161 120.200 0.018 0.000 2.474 142 E HA 0.193 4.544 4.350 0.002 0.000 0.195 142 E C 1.749 178.364 176.600 0.025 0.000 1.039 142 E CA 0.715 57.122 56.400 0.011 0.000 0.881 142 E CB 0.434 30.131 29.700 -0.004 0.000 0.970 142 E HN 0.586 nan 8.360 nan 0.000 0.486 143 G N 1.701 110.525 108.800 0.041 0.000 2.168 143 G HA2 -0.332 3.629 3.960 0.002 0.000 0.257 143 G HA3 -0.332 3.629 3.960 0.002 0.000 0.257 143 G C 0.567 175.507 174.900 0.066 0.000 0.997 143 G CA 0.424 45.558 45.100 0.057 0.000 0.708 143 G HN 0.495 nan 8.290 nan 0.000 0.520 144 A N -0.767 122.089 122.820 0.060 0.000 2.386 144 A HA 0.646 4.967 4.320 0.002 0.000 0.248 144 A C 0.634 178.292 177.584 0.122 0.000 1.082 144 A CA 0.285 52.364 52.037 0.070 0.000 0.789 144 A CB 0.948 19.972 19.000 0.040 0.000 1.025 144 A HN 1.126 nan 8.150 nan 0.000 0.490 145 V N 2.908 122.904 119.914 0.136 0.000 2.406 145 V HA 0.333 4.454 4.120 0.002 0.000 0.272 145 V C -0.005 176.218 176.094 0.215 0.000 1.043 145 V CA -0.047 62.365 62.300 0.186 0.000 0.915 145 V CB 0.786 32.712 31.823 0.172 0.000 0.988 145 V HN 0.714 nan 8.190 nan 0.000 0.466 146 L N 6.205 127.610 121.223 0.302 0.000 2.322 146 L HA 0.727 5.068 4.340 0.002 0.000 0.281 146 L C -0.764 176.389 176.870 0.471 0.000 1.014 146 L CA -0.254 54.811 54.840 0.376 0.000 0.815 146 L CB 1.866 44.132 42.059 0.344 0.000 1.247 146 L HN 0.444 nan 8.230 nan 0.000 0.421 147 V N 2.932 123.099 119.914 0.422 0.000 2.604 147 V HA 0.712 4.834 4.120 0.002 0.000 0.305 147 V C -0.460 175.884 176.094 0.418 0.000 1.043 147 V CA -0.480 62.036 62.300 0.359 0.000 0.888 147 V CB 1.956 33.916 31.823 0.229 0.000 0.995 147 V HN 0.837 nan 8.190 nan 0.000 0.429 148 S N 5.046 120.990 115.700 0.406 0.000 2.541 148 S HA 0.877 5.349 4.470 0.002 0.000 0.280 148 S C -0.845 173.906 174.600 0.251 0.000 1.112 148 S CA -0.828 57.610 58.200 0.396 0.000 0.925 148 S CB 2.243 65.800 63.200 0.595 0.000 1.067 148 S HN 0.875 nan 8.310 nan 0.000 0.479 149 M N 1.427 121.138 119.600 0.186 0.000 2.535 149 M HA 0.636 5.117 4.480 0.002 0.000 0.314 149 M C -1.552 174.959 176.300 0.353 0.000 1.153 149 M CA -0.556 54.843 55.300 0.164 0.000 0.924 149 M CB 1.173 33.693 32.600 -0.133 0.000 1.710 149 M HN 0.546 nan 8.290 nan 0.000 0.451 150 N N 2.633 121.600 118.700 0.446 0.000 2.503 150 N HA 0.547 5.288 4.740 0.002 0.000 0.267 150 N C -1.322 174.466 175.510 0.464 0.000 1.214 150 N CA 0.214 53.538 53.050 0.456 0.000 0.959 150 N CB 0.417 39.101 38.487 0.327 0.000 1.142 150 N HN 0.729 nan 8.380 nan 0.000 0.455 151 Y N -2.327 118.155 120.300 0.302 0.000 2.562 151 Y HA 0.535 5.087 4.550 0.002 0.000 0.345 151 Y C -0.184 175.848 175.900 0.221 0.000 1.045 151 Y CA -1.341 56.888 58.100 0.214 0.000 1.028 151 Y CB 0.852 39.380 38.460 0.113 0.000 1.297 151 Y HN 0.202 nan 8.280 nan 0.000 0.463 152 R N 2.009 122.658 120.500 0.248 0.000 2.522 152 R HA 0.438 4.780 4.340 0.002 0.000 0.284 152 R C -0.141 176.328 176.300 0.281 0.000 1.032 152 R CA -0.061 56.143 56.100 0.173 0.000 1.049 152 R CB 0.571 30.939 30.300 0.114 0.000 0.956 152 R HN 0.701 nan 8.270 nan 0.000 0.422 153 V N 0.198 120.304 119.914 0.321 0.000 3.204 153 V HA 0.878 4.999 4.120 0.002 0.000 0.316 153 V C 0.883 177.314 176.094 0.562 0.000 1.160 153 V CA -0.145 62.461 62.300 0.510 0.000 1.044 153 V CB 1.121 33.144 31.823 0.334 0.000 1.136 153 V HN 0.961 nan 8.190 nan 0.000 0.455 154 G N 1.504 110.674 108.800 0.616 0.000 2.564 154 G HA2 -0.302 3.660 3.960 0.002 0.000 0.273 154 G HA3 -0.302 3.660 3.960 0.002 0.000 0.273 154 G C 1.019 176.081 174.900 0.271 0.000 1.242 154 G CA 1.563 46.955 45.100 0.486 0.000 0.951 154 G HN 2.314 nan 8.290 nan 0.000 0.564 155 T N -1.788 112.646 114.554 -0.201 0.000 2.720 155 T HA -0.091 4.261 4.350 0.002 0.000 0.268 155 T C 2.158 176.744 174.700 -0.189 0.000 1.037 155 T CA 2.611 64.363 62.100 -0.580 0.000 1.144 155 T CB -0.459 67.906 68.868 -0.839 0.000 0.864 155 T HN 0.624 nan 8.240 nan 0.000 0.444 156 F N 2.314 122.321 119.950 0.094 0.000 2.192 156 F HA 0.144 4.673 4.527 0.002 0.000 0.301 156 F C 2.753 178.562 175.800 0.015 0.000 1.079 156 F CA 0.993 59.005 58.000 0.021 0.000 1.303 156 F CB -0.966 38.017 39.000 -0.028 0.000 1.024 156 F HN 0.399 nan 8.300 nan 0.000 0.494 157 G N -2.403 106.492 108.800 0.157 0.000 2.719 157 G HA2 0.049 4.010 3.960 0.002 0.000 0.211 157 G HA3 0.049 4.010 3.960 0.002 0.000 0.211 157 G C 0.882 175.352 174.900 -0.718 0.000 1.140 157 G CA 0.233 45.174 45.100 -0.265 0.000 0.790 157 G HN 0.356 nan 8.290 nan 0.000 0.529 158 F N -0.918 119.140 119.950 0.181 0.000 2.975 158 F HA 0.413 4.942 4.527 0.003 0.000 0.366 158 F C 0.443 176.362 175.800 0.200 0.000 1.071 158 F CA -0.999 57.097 58.000 0.159 0.000 1.102 158 F CB 0.310 39.414 39.000 0.174 0.000 1.176 158 F HN -0.086 nan 8.300 nan 0.000 0.545 159 L N 2.090 123.429 121.223 0.194 0.000 2.499 159 L HA 0.536 4.877 4.340 0.002 0.000 0.273 159 L C -0.039 176.856 176.870 0.042 0.000 1.195 159 L CA 0.096 54.990 54.840 0.090 0.000 0.882 159 L CB 0.491 42.333 42.059 -0.362 0.000 1.133 159 L HN 0.119 nan 8.230 nan 0.000 0.483 160 A N 6.084 128.956 122.820 0.087 0.000 2.422 160 A HA 0.678 4.999 4.320 0.002 0.000 0.302 160 A C -1.205 176.376 177.584 -0.004 0.000 1.041 160 A CA -0.593 51.459 52.037 0.025 0.000 0.708 160 A CB 1.299 20.339 19.000 0.066 0.000 1.257 160 A HN 0.685 nan 8.150 nan 0.000 0.414 161 L N 3.265 124.467 121.223 -0.035 0.000 2.371 161 L HA 0.334 4.676 4.340 0.002 0.000 0.262 161 L C -2.436 174.430 176.870 -0.007 0.000 1.054 161 L CA -1.673 53.151 54.840 -0.026 0.000 0.924 161 L CB 1.408 43.438 42.059 -0.049 0.000 1.295 161 L HN 0.390 nan 8.230 nan 0.000 0.441 162 P HA 0.076 nan 4.420 nan 0.000 0.261 162 P C 0.976 178.281 177.300 0.010 0.000 1.183 162 P CA 0.820 63.927 63.100 0.012 0.000 0.761 162 P CB 0.980 32.687 31.700 0.011 0.000 0.785 163 G N 2.002 110.812 108.800 0.015 0.000 2.258 163 G HA2 -0.248 3.713 3.960 0.002 0.000 0.233 163 G HA3 -0.248 3.713 3.960 0.002 0.000 0.233 163 G C 0.505 175.413 174.900 0.013 0.000 1.006 163 G CA 0.231 45.339 45.100 0.014 0.000 0.620 163 G HN 0.769 nan 8.290 nan 0.000 0.511 164 S N -0.082 115.623 115.700 0.009 0.000 2.596 164 S HA 0.558 5.029 4.470 0.002 0.000 0.260 164 S C 1.217 175.828 174.600 0.019 0.000 1.336 164 S CA 0.604 58.809 58.200 0.009 0.000 0.993 164 S CB 1.754 64.953 63.200 -0.002 0.000 0.923 164 S HN 0.481 nan 8.310 nan 0.000 0.567 165 R N -0.106 120.408 120.500 0.023 0.000 2.206 165 R HA 0.097 4.439 4.340 0.002 0.000 0.198 165 R C 1.182 177.507 176.300 0.042 0.000 0.986 165 R CA 0.722 56.841 56.100 0.032 0.000 1.029 165 R CB -0.150 30.167 30.300 0.029 0.000 0.966 165 R HN 0.797 nan 8.270 nan 0.000 0.487 166 E N -0.476 119.749 120.200 0.041 0.000 2.442 166 E HA 0.121 4.472 4.350 0.002 0.000 0.195 166 E C -0.197 176.455 176.600 0.087 0.000 1.030 166 E CA 0.535 56.974 56.400 0.065 0.000 0.869 166 E CB 1.124 30.861 29.700 0.062 0.000 0.857 166 E HN 0.233 nan 8.360 nan 0.000 0.505 167 A N 0.805 123.650 122.820 0.040 0.000 3.399 167 A HA 0.292 4.613 4.320 0.002 0.000 0.262 167 A C -2.330 175.259 177.584 0.009 0.000 1.145 167 A CA -0.842 51.205 52.037 0.015 0.000 0.916 167 A CB 0.432 19.349 19.000 -0.139 0.000 1.360 167 A HN -0.077 nan 8.150 nan 0.000 0.628 168 P HA 0.248 nan 4.420 nan 0.000 0.245 168 P C 0.891 178.216 177.300 0.042 0.000 1.206 168 P CA 1.566 64.689 63.100 0.038 0.000 0.781 168 P CB 0.301 32.032 31.700 0.051 0.000 0.994 169 G N 0.612 109.436 108.800 0.041 0.000 2.699 169 G HA2 -0.161 3.801 3.960 0.002 0.000 0.686 169 G HA3 -0.161 3.801 3.960 0.002 0.000 0.686 169 G C -0.094 174.815 174.900 0.015 0.000 1.301 169 G CA -0.315 44.814 45.100 0.049 0.000 0.816 169 G HN 0.081 nan 8.290 nan 0.000 0.595 170 N N -2.455 116.253 118.700 0.013 0.000 2.778 170 N HA -0.289 4.453 4.740 0.002 0.000 0.249 170 N C 1.901 177.268 175.510 -0.239 0.000 1.069 170 N CA 2.469 55.460 53.050 -0.098 0.000 0.831 170 N CB -1.629 36.754 38.487 -0.173 0.000 1.142 170 N HN 1.941 nan 8.380 nan 0.000 0.573 171 V N -2.478 117.296 119.914 -0.234 0.000 2.759 171 V HA 0.026 4.148 4.120 0.002 0.000 0.256 171 V C 2.271 178.232 176.094 -0.222 0.000 1.080 171 V CA 2.259 64.467 62.300 -0.153 0.000 1.101 171 V CB -0.828 30.961 31.823 -0.056 0.000 0.698 171 V HN 0.278 nan 8.190 nan 0.000 0.477 172 G N 0.532 108.983 108.800 -0.582 0.000 2.422 172 G HA2 -0.142 3.820 3.960 0.002 0.000 0.218 172 G HA3 -0.142 3.820 3.960 0.002 0.000 0.218 172 G C 1.524 176.380 174.900 -0.073 0.000 1.146 172 G CA 1.113 46.010 45.100 -0.337 0.000 0.769 172 G HN 0.542 nan 8.290 nan 0.000 0.547 173 L N -0.173 120.957 121.223 -0.155 0.000 2.141 173 L HA 0.068 4.409 4.340 0.002 0.000 0.209 173 L C 2.757 179.667 176.870 0.067 0.000 1.094 173 L CA 0.396 55.125 54.840 -0.184 0.000 0.763 173 L CB -0.235 41.371 42.059 -0.754 0.000 0.908 173 L HN 0.192 nan 8.230 nan 0.000 0.437 174 L N -0.853 120.417 121.223 0.078 0.000 2.179 174 L HA -0.142 4.199 4.340 0.002 0.000 0.208 174 L C 2.101 179.095 176.870 0.206 0.000 1.096 174 L CA 0.563 55.533 54.840 0.216 0.000 0.779 174 L CB -0.544 41.619 42.059 0.172 0.000 0.922 174 L HN 0.230 nan 8.230 nan 0.000 0.443 175 D N 0.224 120.731 120.400 0.179 0.000 2.104 175 D HA -0.213 4.428 4.640 0.002 0.000 0.194 175 D C 2.254 178.709 176.300 0.259 0.000 0.994 175 D CA 1.266 55.447 54.000 0.301 0.000 0.830 175 D CB -0.187 40.811 40.800 0.330 0.000 0.959 175 D HN 0.393 nan 8.370 nan 0.000 0.452 176 Q N 0.104 119.990 119.800 0.143 0.000 2.084 176 Q HA -0.129 4.213 4.340 0.002 0.000 0.202 176 Q C 2.292 178.291 176.000 -0.001 0.000 0.978 176 Q CA 1.080 56.893 55.803 0.017 0.000 0.844 176 Q CB -0.083 28.662 28.738 0.011 0.000 0.898 176 Q HN 0.203 nan 8.270 nan 0.000 0.426 177 R N 0.548 121.150 120.500 0.170 0.000 2.081 177 R HA -0.183 4.159 4.340 0.002 0.000 0.235 177 R C 2.172 178.533 176.300 0.100 0.000 1.131 177 R CA 1.069 57.257 56.100 0.147 0.000 0.960 177 R CB -0.235 30.254 30.300 0.316 0.000 0.856 177 R HN 0.222 nan 8.270 nan 0.000 0.436 178 L N 0.862 122.177 121.223 0.153 0.000 2.046 178 L HA -0.054 4.287 4.340 0.002 0.000 0.208 178 L C 2.306 179.231 176.870 0.090 0.000 1.077 178 L CA 2.133 57.092 54.840 0.198 0.000 0.747 178 L CB -0.849 41.418 42.059 0.347 0.000 0.896 178 L HN 0.276 nan 8.230 nan 0.000 0.432 179 A N -0.538 122.133 122.820 -0.248 0.000 1.940 179 A HA -0.191 4.131 4.320 0.002 0.000 0.219 179 A C 2.236 179.768 177.584 -0.086 0.000 1.176 179 A CA 2.025 53.754 52.037 -0.513 0.000 0.631 179 A CB -0.870 17.604 19.000 -0.877 0.000 0.814 179 A HN 0.524 nan 8.150 nan 0.000 0.446 180 L N -1.151 120.037 121.223 -0.057 0.000 2.093 180 L HA -0.231 4.110 4.340 0.002 0.000 0.208 180 L C 2.799 179.723 176.870 0.089 0.000 1.085 180 L CA 1.499 56.344 54.840 0.009 0.000 0.755 180 L CB -0.784 41.240 42.059 -0.057 0.000 0.904 180 L HN 0.498 nan 8.230 nan 0.000 0.435 181 Q N -0.951 118.914 119.800 0.108 0.000 2.119 181 Q HA -0.240 4.101 4.340 0.002 0.000 0.201 181 Q C 2.050 178.148 176.000 0.163 0.000 0.972 181 Q CA 1.762 57.637 55.803 0.121 0.000 0.847 181 Q CB -0.267 28.546 28.738 0.124 0.000 0.903 181 Q HN 0.534 nan 8.270 nan 0.000 0.433 182 W N 0.601 121.920 121.300 0.031 0.000 2.342 182 W HA -0.219 4.442 4.660 0.002 0.000 0.297 182 W C 1.810 178.360 176.519 0.051 0.000 1.213 182 W CA 1.253 58.633 57.345 0.058 0.000 1.251 182 W CB 0.018 29.514 29.460 0.060 0.000 1.136 182 W HN -0.145 nan 8.180 nan 0.000 0.526 183 V N 0.663 120.783 119.914 0.343 0.000 2.427 183 V HA -0.303 3.818 4.120 0.002 0.000 0.248 183 V C 2.499 178.616 176.094 0.037 0.000 1.051 183 V CA 1.867 64.303 62.300 0.227 0.000 1.048 183 V CB -0.846 31.123 31.823 0.242 0.000 0.666 183 V HN 0.180 nan 8.190 nan 0.000 0.456 184 Q N -0.138 119.688 119.800 0.044 0.000 2.084 184 Q HA -0.260 4.081 4.340 0.002 0.000 0.202 184 Q C 2.239 178.209 176.000 -0.050 0.000 0.978 184 Q CA 2.053 57.866 55.803 0.017 0.000 0.844 184 Q CB -0.223 28.534 28.738 0.030 0.000 0.898 184 Q HN 0.791 nan 8.270 nan 0.000 0.426 185 E N -0.164 119.968 120.200 -0.114 0.000 2.112 185 E HA -0.084 4.268 4.350 0.002 0.000 0.190 185 E C 1.199 177.642 176.600 -0.261 0.000 0.979 185 E CA 0.774 57.072 56.400 -0.170 0.000 0.814 185 E CB 0.315 29.910 29.700 -0.174 0.000 0.762 185 E HN 0.264 nan 8.360 nan 0.000 0.460 186 N N -0.275 118.163 118.700 -0.437 0.000 2.257 186 N HA 0.001 4.742 4.740 0.002 0.000 0.200 186 N C 1.416 176.796 175.510 -0.217 0.000 1.163 186 N CA 0.043 52.783 53.050 -0.517 0.000 0.891 186 N CB 0.362 38.122 38.487 -1.213 0.000 1.067 186 N HN 0.128 nan 8.380 nan 0.000 0.497 187 I N 2.384 122.888 120.570 -0.111 0.000 2.493 187 I HA -0.074 4.098 4.170 0.002 0.000 0.254 187 I C 2.122 178.341 176.117 0.170 0.000 1.160 187 I CA 0.547 61.928 61.300 0.136 0.000 1.445 187 I CB -0.268 37.801 38.000 0.115 0.000 1.086 187 I HN 0.042 nan 8.210 nan 0.000 0.433 188 A N 0.281 123.129 122.820 0.047 0.000 2.024 188 A HA -0.152 4.169 4.320 0.002 0.000 0.220 188 A C 2.444 180.025 177.584 -0.004 0.000 1.164 188 A CA 1.616 53.667 52.037 0.023 0.000 0.643 188 A CB -1.045 17.944 19.000 -0.018 0.000 0.806 188 A HN 0.479 nan 8.150 nan 0.000 0.451 189 A N -1.673 121.113 122.820 -0.056 0.000 2.067 189 A HA 0.149 4.471 4.320 0.002 0.000 0.219 189 A C 1.432 178.817 177.584 -0.333 0.000 1.158 189 A CA 1.070 52.958 52.037 -0.248 0.000 0.661 189 A CB -0.529 18.209 19.000 -0.438 0.000 0.801 189 A HN 0.496 nan 8.150 nan 0.000 0.452 190 F N -1.515 118.396 119.950 -0.065 0.000 2.678 190 F HA 0.403 4.932 4.527 0.003 0.000 0.305 190 F C 1.719 177.536 175.800 0.029 0.000 1.090 190 F CA 0.401 58.384 58.000 -0.028 0.000 1.272 190 F CB 0.418 39.417 39.000 -0.002 0.000 1.060 190 F HN 0.305 nan 8.300 nan 0.000 0.576 191 G N 0.170 109.062 108.800 0.154 0.000 2.176 191 G HA2 -0.174 3.788 3.960 0.002 0.000 0.232 191 G HA3 -0.174 3.788 3.960 0.002 0.000 0.232 191 G C 0.655 175.625 174.900 0.117 0.000 0.986 191 G CA -0.309 44.857 45.100 0.111 0.000 0.643 191 G HN 0.711 nan 8.290 nan 0.000 0.522 192 G N -0.395 108.496 108.800 0.151 0.000 2.476 192 G HA2 0.465 4.427 3.960 0.002 0.000 0.269 192 G HA3 0.465 4.427 3.960 0.002 0.000 0.269 192 G C -0.707 174.243 174.900 0.082 0.000 1.195 192 G CA 0.313 45.488 45.100 0.124 0.000 0.843 192 G HN 0.205 nan 8.290 nan 0.000 0.545 193 D N 1.606 122.046 120.400 0.066 0.000 2.443 193 D HA 0.262 4.904 4.640 0.002 0.000 0.221 193 D C -1.107 175.226 176.300 0.056 0.000 1.097 193 D CA -2.341 51.681 54.000 0.037 0.000 0.865 193 D CB 1.807 42.612 40.800 0.008 0.000 1.034 193 D HN 0.068 nan 8.370 nan 0.000 0.511 194 P HA -0.090 nan 4.420 nan 0.000 0.228 194 P C 1.190 178.590 177.300 0.166 0.000 1.151 194 P CA 0.645 63.807 63.100 0.103 0.000 0.770 194 P CB 0.215 31.953 31.700 0.063 0.000 0.786 195 M N -1.290 118.336 119.600 0.043 0.000 2.495 195 M HA 0.077 4.559 4.480 0.002 0.000 0.237 195 M C 0.743 176.722 176.300 -0.535 0.000 1.131 195 M CA 0.488 55.714 55.300 -0.124 0.000 1.032 195 M CB 0.184 32.710 32.600 -0.123 0.000 1.513 195 M HN -0.164 nan 8.290 nan 0.000 0.488 196 S N 1.163 116.745 115.700 -0.196 0.000 2.395 196 S HA 0.461 4.932 4.470 0.002 0.000 0.207 196 S C -0.992 173.693 174.600 0.143 0.000 1.454 196 S CA -0.519 57.590 58.200 -0.151 0.000 1.211 196 S CB 0.488 63.612 63.200 -0.126 0.000 1.093 196 S HN 0.007 nan 8.310 nan 0.000 0.472 197 V N 4.316 124.515 119.914 0.476 0.000 2.444 197 V HA 0.522 4.643 4.120 0.002 0.000 0.294 197 V C -0.047 176.229 176.094 0.303 0.000 1.022 197 V CA -0.507 61.991 62.300 0.331 0.000 0.850 197 V CB 1.906 33.901 31.823 0.288 0.000 0.992 197 V HN 0.736 nan 8.190 nan 0.000 0.426 198 T N 6.543 121.217 114.554 0.200 0.000 2.770 198 T HA 0.582 4.933 4.350 0.002 0.000 0.283 198 T C -0.162 174.660 174.700 0.204 0.000 0.988 198 T CA -0.330 61.881 62.100 0.185 0.000 0.957 198 T CB 0.840 69.755 68.868 0.078 0.000 0.930 198 T HN 0.342 nan 8.240 nan 0.000 0.443 199 L N 4.870 126.184 121.223 0.151 0.000 2.371 199 L HA 0.637 4.979 4.340 0.002 0.000 0.272 199 L C -0.371 176.698 176.870 0.331 0.000 1.124 199 L CA -0.673 54.228 54.840 0.102 0.000 0.816 199 L CB 0.260 42.157 42.059 -0.271 0.000 1.129 199 L HN 0.628 nan 8.230 nan 0.000 0.448 200 F N 0.368 120.364 119.950 0.077 0.000 2.619 200 F HA 0.938 5.466 4.527 0.002 0.000 0.308 200 F C -0.352 175.397 175.800 -0.084 0.000 1.097 200 F CA -1.428 56.659 58.000 0.145 0.000 0.953 200 F CB 1.472 40.707 39.000 0.391 0.000 1.287 200 F HN 0.473 nan 8.300 nan 0.000 0.446 201 G N 1.169 109.815 108.800 -0.257 0.000 2.623 201 G HA2 0.511 4.472 3.960 0.002 0.000 0.290 201 G HA3 0.511 4.472 3.960 0.002 0.000 0.290 201 G C -2.416 172.228 174.900 -0.426 0.000 1.437 201 G CA -0.725 43.801 45.100 -0.955 0.000 0.798 201 G HN 0.890 nan 8.290 nan 0.000 0.488 205 G N 0.633 109.208 108.800 -0.375 0.000 2.418 205 G HA2 0.121 4.082 3.960 0.002 0.000 0.217 205 G HA3 0.121 4.082 3.960 0.002 0.000 0.217 205 G C 1.689 176.402 174.900 -0.312 0.000 1.158 205 G CA 1.838 46.669 45.100 -0.448 0.000 0.771 205 G HN 1.227 nan 8.290 nan 0.000 0.545 206 A N 1.404 124.114 122.820 -0.184 0.000 1.865 206 A HA 0.181 4.503 4.320 0.002 0.000 0.217 206 A C 2.867 180.436 177.584 -0.025 0.000 1.191 206 A CA 2.532 54.533 52.037 -0.060 0.000 0.623 206 A CB -1.027 17.999 19.000 0.044 0.000 0.826 206 A HN 0.904 nan 8.150 nan 0.000 0.444 207 A N -0.501 122.338 122.820 0.032 0.000 1.917 207 A HA -0.160 4.161 4.320 0.002 0.000 0.219 207 A C 2.453 180.044 177.584 0.011 0.000 1.182 207 A CA 2.370 54.413 52.037 0.010 0.000 0.633 207 A CB -1.022 18.016 19.000 0.063 0.000 0.819 207 A HN 0.486 nan 8.150 nan 0.000 0.448 208 S N -0.660 115.043 115.700 0.005 0.000 2.359 208 S HA -0.144 4.327 4.470 0.002 0.000 0.224 208 S C 1.892 176.457 174.600 -0.059 0.000 1.035 208 S CA 1.437 59.601 58.200 -0.059 0.000 1.018 208 S CB -0.544 62.556 63.200 -0.167 0.000 0.876 208 S HN 0.358 nan 8.310 nan 0.000 0.448 209 V N 1.690 121.574 119.914 -0.051 0.000 2.343 209 V HA -0.170 3.952 4.120 0.002 0.000 0.247 209 V C 2.621 178.712 176.094 -0.005 0.000 1.051 209 V CA 1.943 64.221 62.300 -0.037 0.000 1.036 209 V CB -1.503 30.273 31.823 -0.079 0.000 0.654 209 V HN 0.601 nan 8.190 nan 0.000 0.451 210 G N -0.910 107.880 108.800 -0.016 0.000 2.442 210 G HA2 -0.312 3.650 3.960 0.002 0.000 0.219 210 G HA3 -0.312 3.650 3.960 0.002 0.000 0.219 210 G C 1.616 176.532 174.900 0.027 0.000 1.141 210 G CA 1.219 46.315 45.100 -0.007 0.000 0.763 210 G HN 0.458 nan 8.290 nan 0.000 0.554 211 M N -0.379 119.217 119.600 -0.007 0.000 2.349 211 M HA 0.074 4.555 4.480 0.002 0.000 0.266 211 M C 2.271 178.648 176.300 0.128 0.000 1.076 211 M CA 0.662 55.992 55.300 0.050 0.000 1.126 211 M CB -0.104 32.486 32.600 -0.017 0.000 1.392 211 M HN 0.207 nan 8.290 nan 0.000 0.440 212 H N 0.028 119.221 119.070 0.206 0.000 2.389 212 H HA -0.027 4.530 4.556 0.002 0.000 0.299 212 H C 2.111 177.636 175.328 0.328 0.000 1.081 212 H CA 1.480 57.654 56.048 0.210 0.000 1.345 212 H CB -0.352 29.413 29.762 0.005 0.000 1.393 212 H HN 0.399 nan 8.280 nan 0.000 0.520 213 I N 0.745 121.575 120.570 0.435 0.000 2.264 213 I HA -0.254 3.917 4.170 0.002 0.000 0.248 213 I C 1.826 178.132 176.117 0.314 0.000 1.111 213 I CA 1.198 62.767 61.300 0.448 0.000 1.382 213 I CB -0.131 38.044 38.000 0.291 0.000 1.060 213 I HN 0.125 nan 8.210 nan 0.000 0.418 214 L N -0.935 120.423 121.223 0.225 0.000 2.607 214 L HA 0.132 4.473 4.340 0.002 0.000 0.228 214 L C 0.896 177.813 176.870 0.079 0.000 1.123 214 L CA 0.004 54.953 54.840 0.181 0.000 0.890 214 L CB 0.136 42.283 42.059 0.147 0.000 1.103 214 L HN 0.007 nan 8.230 nan 0.000 0.468 215 S N -0.074 115.639 115.700 0.022 0.000 2.498 215 S HA 0.383 4.854 4.470 0.002 0.000 0.324 215 S C 1.104 175.625 174.600 -0.132 0.000 1.071 215 S CA -0.621 57.468 58.200 -0.185 0.000 1.113 215 S CB 0.929 63.719 63.200 -0.683 0.000 0.976 215 S HN 0.176 nan 8.310 nan 0.000 0.462 216 L N 5.256 126.411 121.223 -0.113 0.000 2.013 216 L HA -0.071 4.271 4.340 0.002 0.000 0.212 216 L C -0.772 176.051 176.870 -0.077 0.000 1.073 216 L CA 1.513 56.306 54.840 -0.078 0.000 0.753 216 L CB -1.518 40.496 42.059 -0.074 0.000 0.890 216 L HN 0.489 nan 8.230 nan 0.000 0.432 217 P HA -0.070 nan 4.420 nan 0.000 0.228 217 P C 1.454 178.743 177.300 -0.019 0.000 1.151 217 P CA 1.003 64.064 63.100 -0.066 0.000 0.770 217 P CB 0.126 31.779 31.700 -0.079 0.000 0.786 218 S N -0.916 114.792 115.700 0.013 0.000 2.470 218 S HA 0.027 4.499 4.470 0.002 0.000 0.225 218 S C 1.792 176.490 174.600 0.163 0.000 1.006 218 S CA 0.350 58.654 58.200 0.174 0.000 0.934 218 S CB -0.302 63.141 63.200 0.405 0.000 0.778 218 S HN 0.083 nan 8.310 nan 0.000 0.517 219 R N 2.107 122.611 120.500 0.006 0.000 2.120 219 R HA -0.003 4.338 4.340 0.002 0.000 0.234 219 R C 2.249 178.338 176.300 -0.353 0.000 1.123 219 R CA 1.394 57.355 56.100 -0.231 0.000 0.975 219 R CB -1.289 28.917 30.300 -0.156 0.000 0.866 219 R HN 0.569 nan 8.270 nan 0.000 0.446 220 S N 0.000 115.592 115.700 -0.180 0.000 2.660 220 S HA 0.078 4.549 4.470 0.002 0.000 0.223 220 S C 1.581 176.085 174.600 -0.160 0.000 0.963 220 S CA 0.269 58.371 58.200 -0.163 0.000 0.932 220 S CB -0.198 62.955 63.200 -0.079 0.000 0.775 220 S HN 0.226 nan 8.310 nan 0.000 0.531 221 L N 0.253 121.397 121.223 -0.131 0.000 2.766 221 L HA 0.509 4.850 4.340 0.002 0.000 0.242 221 L C -0.112 176.771 176.870 0.022 0.000 1.136 221 L CA -0.410 54.424 54.840 -0.009 0.000 0.933 221 L CB 0.096 42.211 42.059 0.093 0.000 1.241 221 L HN 0.511 nan 8.230 nan 0.000 0.522 222 F N -4.175 115.559 119.950 -0.361 0.000 2.713 222 F HA 0.457 4.985 4.527 0.001 0.000 0.311 222 F C 0.321 175.740 175.800 -0.635 0.000 1.141 222 F CA -0.991 56.745 58.000 -0.440 0.000 0.939 222 F CB 0.788 39.701 39.000 -0.144 0.000 1.325 222 F HN -0.137 nan 8.300 nan 0.000 0.453 223 H N -0.472 118.640 119.070 0.070 0.000 3.017 223 H HA 0.468 5.025 4.556 0.002 0.000 0.255 223 H C -0.037 175.318 175.328 0.045 0.000 0.990 223 H CA -0.005 56.014 56.048 -0.050 0.000 1.205 223 H CB 1.001 30.738 29.762 -0.040 0.000 1.460 223 H HN 0.457 nan 8.280 nan 0.000 0.478 224 R N 0.040 120.731 120.500 0.317 0.000 2.764 224 R HA 0.698 5.039 4.340 0.002 0.000 0.270 224 R C -1.541 175.005 176.300 0.411 0.000 1.014 224 R CA -0.645 55.611 56.100 0.260 0.000 0.904 224 R CB 2.880 33.142 30.300 -0.062 0.000 1.236 224 R HN 0.156 nan 8.270 nan 0.000 0.466 225 A N 1.057 124.130 122.820 0.422 0.000 2.520 225 A HA 0.638 4.960 4.320 0.002 0.000 0.298 225 A C -1.522 176.220 177.584 0.263 0.000 1.051 225 A CA -0.575 51.645 52.037 0.305 0.000 0.690 225 A CB 1.868 21.006 19.000 0.231 0.000 1.281 225 A HN 0.291 nan 8.150 nan 0.000 0.402 226 V N 2.340 122.375 119.914 0.200 0.000 2.409 226 V HA 0.495 4.616 4.120 0.002 0.000 0.291 226 V C -1.036 175.152 176.094 0.157 0.000 1.020 226 V CA -0.334 62.028 62.300 0.103 0.000 0.848 226 V CB 1.176 33.078 31.823 0.132 0.000 0.990 226 V HN 0.679 nan 8.190 nan 0.000 0.430 227 L N 5.322 126.604 121.223 0.097 0.000 2.295 227 L HA 0.503 4.845 4.340 0.002 0.000 0.281 227 L C 0.086 177.056 176.870 0.166 0.000 1.018 227 L CA 0.087 54.984 54.840 0.096 0.000 0.841 227 L CB 1.432 43.504 42.059 0.022 0.000 1.218 227 L HN 0.626 nan 8.230 nan 0.000 0.424 228 Q N 2.062 122.008 119.800 0.244 0.000 2.331 228 Q HA 0.403 4.744 4.340 0.002 0.000 0.257 228 Q C 0.167 176.296 176.000 0.215 0.000 0.957 228 Q CA -0.506 55.498 55.803 0.335 0.000 0.923 228 Q CB 1.168 30.193 28.738 0.478 0.000 1.212 228 Q HN 0.620 nan 8.270 nan 0.000 0.443 229 S N 1.237 117.051 115.700 0.190 0.000 3.550 229 S HA -0.165 4.307 4.470 0.002 0.000 0.372 229 S C 0.054 174.835 174.600 0.301 0.000 0.966 229 S CA 0.520 58.852 58.200 0.219 0.000 1.229 229 S CB -1.199 62.126 63.200 0.209 0.000 0.917 229 S HN 0.988 nan 8.310 nan 0.000 0.496 230 G N -0.355 108.592 108.800 0.245 0.000 2.556 230 G HA2 0.637 4.598 3.960 0.002 0.000 0.294 230 G HA3 0.637 4.598 3.960 0.002 0.000 0.294 230 G C -0.930 174.048 174.900 0.129 0.000 1.516 230 G CA 0.129 45.434 45.100 0.341 0.000 0.824 230 G HN 0.996 nan 8.290 nan 0.000 0.535 231 T N -1.246 113.322 114.554 0.022 0.000 2.889 231 T HA 0.735 5.086 4.350 0.002 0.000 0.315 231 T C -2.473 172.084 174.700 -0.237 0.000 1.291 231 T CA -1.321 60.713 62.100 -0.111 0.000 1.028 231 T CB 2.963 71.752 68.868 -0.133 0.000 1.235 231 T HN 0.281 nan 8.240 nan 0.000 0.491 232 P HA 0.025 nan 4.420 nan 0.000 0.224 232 P C 0.290 177.431 177.300 -0.266 0.000 1.157 232 P CA 0.550 63.522 63.100 -0.214 0.000 0.799 232 P CB -0.031 31.600 31.700 -0.114 0.000 0.809 233 N N 0.526 119.089 118.700 -0.230 0.000 2.364 233 N HA 0.315 5.056 4.740 0.002 0.000 0.264 233 N C 0.806 176.119 175.510 -0.329 0.000 1.263 233 N CA 0.534 53.451 53.050 -0.222 0.000 0.959 233 N CB -0.012 38.387 38.487 -0.147 0.000 1.204 233 N HN 0.190 nan 8.380 nan 0.000 0.550 234 G N -0.971 107.659 108.800 -0.284 0.000 2.592 234 G HA2 -0.119 3.842 3.960 0.002 0.000 0.684 234 G HA3 -0.119 3.842 3.960 0.002 0.000 0.684 234 G C -2.403 172.268 174.900 -0.382 0.000 1.291 234 G CA -0.204 44.686 45.100 -0.351 0.000 0.891 234 G HN 0.565 nan 8.290 nan 0.000 0.544 235 P HA 0.194 nan 4.420 nan 0.000 0.257 235 P C 1.394 178.616 177.300 -0.130 0.000 1.241 235 P CA 1.554 64.513 63.100 -0.234 0.000 0.816 235 P CB -0.034 31.492 31.700 -0.289 0.000 1.150 236 W N -1.537 119.670 121.300 -0.155 0.000 2.873 236 W HA 0.548 5.209 4.660 0.001 0.000 0.282 236 W C 1.017 177.600 176.519 0.107 0.000 1.118 236 W CA 0.462 57.792 57.345 -0.025 0.000 1.480 236 W CB -0.824 28.664 29.460 0.047 0.000 0.954 236 W HN -0.177 nan 8.180 nan 0.000 0.591 237 A N 1.941 124.432 122.820 -0.548 0.000 2.067 237 A HA 0.123 4.445 4.320 0.002 0.000 0.217 237 A C 1.139 178.555 177.584 -0.280 0.000 1.156 237 A CA 1.834 53.600 52.037 -0.452 0.000 0.683 237 A CB -0.809 17.689 19.000 -0.836 0.000 0.808 237 A HN 0.255 nan 8.150 nan 0.000 0.455 238 T N -3.253 111.158 114.554 -0.238 0.000 2.864 238 T HA 0.619 4.970 4.350 0.002 0.000 0.299 238 T C -0.663 173.958 174.700 -0.132 0.000 1.166 238 T CA -0.120 61.857 62.100 -0.206 0.000 1.007 238 T CB 1.469 70.227 68.868 -0.184 0.000 1.219 238 T HN 0.884 nan 8.240 nan 0.000 0.506 239 V N -1.166 118.681 119.914 -0.112 0.000 3.040 239 V HA 0.912 5.033 4.120 0.002 0.000 0.312 239 V C 0.338 176.394 176.094 -0.064 0.000 1.115 239 V CA -0.821 61.431 62.300 -0.080 0.000 0.998 239 V CB 1.312 33.088 31.823 -0.077 0.000 1.042 239 V HN 1.386 nan 8.190 nan 0.000 0.433 240 S N 1.695 117.365 115.700 -0.050 0.000 2.608 240 S HA 0.588 5.059 4.470 0.002 0.000 0.261 240 S C 1.407 175.990 174.600 -0.028 0.000 1.314 240 S CA 0.128 58.306 58.200 -0.036 0.000 0.992 240 S CB 1.164 64.345 63.200 -0.032 0.000 0.935 240 S HN 1.952 nan 8.310 nan 0.000 0.564 241 A N 1.523 124.332 122.820 -0.017 0.000 1.902 241 A HA 0.133 4.455 4.320 0.002 0.000 0.217 241 A C 2.217 179.794 177.584 -0.012 0.000 1.181 241 A CA 1.697 53.729 52.037 -0.009 0.000 0.623 241 A CB -1.859 17.139 19.000 -0.002 0.000 0.818 241 A HN 1.151 nan 8.150 nan 0.000 0.443 242 G N -0.386 108.405 108.800 -0.016 0.000 2.421 242 G HA2 -0.260 3.701 3.960 0.002 0.000 0.216 242 G HA3 -0.260 3.701 3.960 0.002 0.000 0.216 242 G C 1.483 176.370 174.900 -0.022 0.000 1.171 242 G CA 1.414 46.504 45.100 -0.016 0.000 0.775 242 G HN 0.581 nan 8.290 nan 0.000 0.543 243 E N 0.993 121.174 120.200 -0.031 0.000 2.072 243 E HA 0.083 4.434 4.350 0.002 0.000 0.191 243 E C 2.678 179.246 176.600 -0.053 0.000 0.985 243 E CA 1.411 57.785 56.400 -0.044 0.000 0.801 243 E CB -0.607 29.062 29.700 -0.051 0.000 0.750 243 E HN 0.266 nan 8.360 nan 0.000 0.452 244 A N 1.043 123.839 122.820 -0.041 0.000 1.908 244 A HA -0.242 4.079 4.320 0.002 0.000 0.218 244 A C 2.313 179.898 177.584 0.002 0.000 1.181 244 A CA 2.010 54.033 52.037 -0.023 0.000 0.627 244 A CB -0.692 18.314 19.000 0.009 0.000 0.818 244 A HN 0.306 nan 8.150 nan 0.000 0.445 245 R N -0.701 119.798 120.500 -0.003 0.000 2.075 245 R HA -0.105 4.236 4.340 0.002 0.000 0.232 245 R C 2.455 178.755 176.300 0.001 0.000 1.126 245 R CA 1.454 57.555 56.100 0.001 0.000 0.963 245 R CB -0.327 29.970 30.300 -0.004 0.000 0.858 245 R HN 0.502 nan 8.270 nan 0.000 0.435 246 R N 0.666 121.160 120.500 -0.011 0.000 2.073 246 R HA -0.123 4.218 4.340 0.002 0.000 0.234 246 R C 2.182 178.478 176.300 -0.007 0.000 1.134 246 R CA 1.810 57.903 56.100 -0.012 0.000 0.952 246 R CB -0.137 30.150 30.300 -0.021 0.000 0.850 246 R HN 0.287 nan 8.270 nan 0.000 0.433 247 R N -0.067 120.411 120.500 -0.037 0.000 2.081 247 R HA -0.079 4.262 4.340 0.002 0.000 0.235 247 R C 2.375 178.741 176.300 0.110 0.000 1.131 247 R CA 1.427 57.496 56.100 -0.053 0.000 0.960 247 R CB -0.422 29.695 30.300 -0.304 0.000 0.856 247 R HN 0.249 nan 8.270 nan 0.000 0.436 248 A N 0.587 123.500 122.820 0.155 0.000 1.933 248 A HA -0.194 4.127 4.320 0.002 0.000 0.218 248 A C 2.292 179.923 177.584 0.079 0.000 1.175 248 A CA 2.090 54.244 52.037 0.195 0.000 0.628 248 A CB -0.798 18.254 19.000 0.088 0.000 0.814 248 A HN 0.454 nan 8.150 nan 0.000 0.444 249 T N -1.863 112.717 114.554 0.043 0.000 2.978 249 T HA -0.039 4.312 4.350 0.002 0.000 0.262 249 T C 1.789 176.504 174.700 0.025 0.000 1.063 249 T CA 1.281 63.390 62.100 0.015 0.000 1.140 249 T CB -0.345 68.523 68.868 0.000 0.000 0.886 249 T HN 0.190 nan 8.240 nan 0.000 0.470 250 L N 1.070 122.318 121.223 0.042 0.000 2.017 250 L HA 0.168 4.509 4.340 0.002 0.000 0.208 250 L C 2.336 179.247 176.870 0.067 0.000 1.073 250 L CA 1.849 56.717 54.840 0.047 0.000 0.745 250 L CB -1.257 40.832 42.059 0.050 0.000 0.894 250 L HN 0.421 nan 8.230 nan 0.000 0.432 251 L N -0.175 121.123 121.223 0.125 0.000 2.012 251 L HA -0.165 4.177 4.340 0.002 0.000 0.210 251 L C 2.539 179.429 176.870 0.034 0.000 1.073 251 L CA 2.150 57.071 54.840 0.135 0.000 0.748 251 L CB -0.885 41.320 42.059 0.243 0.000 0.891 251 L HN 0.311 nan 8.230 nan 0.000 0.431 252 A N -0.193 122.634 122.820 0.012 0.000 1.903 252 A HA -0.301 4.020 4.320 0.002 0.000 0.219 252 A C 2.410 179.978 177.584 -0.027 0.000 1.191 252 A CA 2.287 54.312 52.037 -0.021 0.000 0.638 252 A CB -0.734 18.249 19.000 -0.029 0.000 0.823 252 A HN 0.550 nan 8.150 nan 0.000 0.451 253 R N -0.743 119.747 120.500 -0.018 0.000 2.091 253 R HA -0.083 4.258 4.340 0.002 0.000 0.238 253 R C 2.081 178.346 176.300 -0.058 0.000 1.136 253 R CA 1.527 57.611 56.100 -0.026 0.000 0.959 253 R CB -0.588 29.705 30.300 -0.012 0.000 0.856 253 R HN 0.559 nan 8.270 nan 0.000 0.437 254 L N 0.799 121.974 121.223 -0.079 0.000 2.191 254 L HA -0.105 4.236 4.340 0.002 0.000 0.212 254 L C 1.924 178.571 176.870 -0.370 0.000 1.103 254 L CA 0.833 55.553 54.840 -0.200 0.000 0.769 254 L CB -0.220 41.738 42.059 -0.168 0.000 0.908 254 L HN 0.162 nan 8.230 nan 0.000 0.438 255 V N -3.955 115.822 119.914 -0.227 0.000 3.271 255 V HA 0.520 4.642 4.120 0.002 0.000 0.327 255 V C 0.960 177.016 176.094 -0.063 0.000 1.389 255 V CA 0.110 62.316 62.300 -0.157 0.000 1.156 255 V CB -0.228 31.558 31.823 -0.062 0.000 1.103 255 V HN 0.399 nan 8.190 nan 0.000 0.453 256 G N -0.318 108.447 108.800 -0.059 0.000 2.248 256 G HA2 -0.201 3.760 3.960 0.002 0.000 0.263 256 G HA3 -0.201 3.760 3.960 0.002 0.000 0.263 256 G C -0.078 174.814 174.900 -0.013 0.000 1.082 256 G CA 0.064 45.148 45.100 -0.026 0.000 0.863 256 G HN 0.743 nan 8.290 nan 0.000 0.495 266 D N 1.362 121.758 120.400 -0.008 0.000 2.117 266 D HA -0.086 4.555 4.640 0.002 0.000 0.197 266 D C 1.413 177.706 176.300 -0.012 0.000 0.987 266 D CA 1.723 55.713 54.000 -0.016 0.000 0.829 266 D CB 0.095 40.885 40.800 -0.017 0.000 0.961 266 D HN 0.584 nan 8.370 nan 0.000 0.460 267 T N 1.335 115.889 114.554 -0.001 0.000 2.720 267 T HA -0.162 4.189 4.350 0.002 0.000 0.268 267 T C 1.801 176.507 174.700 0.011 0.000 1.037 267 T CA 1.341 63.446 62.100 0.009 0.000 1.144 267 T CB -0.183 68.693 68.868 0.012 0.000 0.864 267 T HN 0.351 nan 8.240 nan 0.000 0.444 268 E N 0.755 120.959 120.200 0.006 0.000 2.028 268 E HA -0.003 4.349 4.350 0.002 0.000 0.190 268 E C 2.284 178.887 176.600 0.004 0.000 0.984 268 E CA 0.653 57.058 56.400 0.008 0.000 0.800 268 E CB -0.350 29.353 29.700 0.005 0.000 0.758 268 E HN 0.334 nan 8.360 nan 0.000 0.448 269 L N 1.296 122.514 121.223 -0.007 0.000 1.997 269 L HA -0.258 4.084 4.340 0.002 0.000 0.216 269 L C 2.342 179.198 176.870 -0.024 0.000 1.074 269 L CA 1.555 56.384 54.840 -0.019 0.000 0.763 269 L CB -0.190 41.849 42.059 -0.033 0.000 0.890 269 L HN 0.134 nan 8.230 nan 0.000 0.434 270 I N -0.241 120.311 120.570 -0.030 0.000 2.226 270 I HA -0.268 3.903 4.170 0.002 0.000 0.245 270 I C 2.747 178.908 176.117 0.074 0.000 1.100 270 I CA 1.076 62.363 61.300 -0.022 0.000 1.374 270 I CB -0.602 37.382 38.000 -0.026 0.000 1.057 270 I HN 0.360 nan 8.210 nan 0.000 0.413 271 A N -0.222 122.632 122.820 0.057 0.000 1.933 271 A HA -0.282 4.039 4.320 0.002 0.000 0.218 271 A C 2.532 180.155 177.584 0.065 0.000 1.175 271 A CA 1.911 53.988 52.037 0.066 0.000 0.628 271 A CB -1.280 17.745 19.000 0.042 0.000 0.814 271 A HN 0.630 nan 8.150 nan 0.000 0.444 272 c N -0.526 118.101 118.600 0.046 0.000 2.453 272 c HA 0.010 4.581 4.570 0.002 0.000 0.277 272 c C 2.583 176.710 174.090 0.062 0.000 1.262 272 c CA 1.055 57.408 56.329 0.040 0.000 1.718 272 c CB -1.570 40.953 42.510 0.021 0.000 2.031 272 c HN 0.589 nan 8.230 nan 0.000 0.480 273 L N 0.477 121.746 121.223 0.076 0.000 2.081 273 L HA -0.167 4.174 4.340 0.002 0.000 0.212 273 L C 2.951 179.955 176.870 0.224 0.000 1.080 273 L CA 1.679 56.601 54.840 0.137 0.000 0.754 273 L CB -0.668 41.446 42.059 0.093 0.000 0.893 273 L HN 0.383 nan 8.230 nan 0.000 0.433 274 R N -0.609 120.027 120.500 0.227 0.000 2.237 274 R HA -0.102 4.239 4.340 0.002 0.000 0.219 274 R C 2.142 178.478 176.300 0.059 0.000 1.080 274 R CA 1.594 57.773 56.100 0.132 0.000 0.995 274 R CB -0.328 30.040 30.300 0.114 0.000 0.875 274 R HN 0.522 nan 8.270 nan 0.000 0.462 275 T N -1.764 112.826 114.554 0.060 0.000 3.081 275 T HA 0.114 4.465 4.350 0.002 0.000 0.255 275 T C 0.890 175.611 174.700 0.035 0.000 1.113 275 T CA -0.175 61.948 62.100 0.038 0.000 1.082 275 T CB 0.181 69.070 68.868 0.034 0.000 0.939 275 T HN -0.145 nan 8.240 nan 0.000 0.506 276 R N 2.730 123.259 120.500 0.047 0.000 2.438 276 R HA 0.364 4.705 4.340 0.002 0.000 0.287 276 R C -2.697 173.623 176.300 0.033 0.000 1.077 276 R CA -2.692 53.435 56.100 0.046 0.000 1.034 276 R CB -0.344 29.991 30.300 0.057 0.000 0.993 276 R HN 0.239 nan 8.270 nan 0.000 0.459 277 P HA -0.053 nan 4.420 nan 0.000 0.262 277 P C 0.411 177.700 177.300 -0.018 0.000 1.182 277 P CA 0.363 63.463 63.100 -0.000 0.000 0.761 277 P CB 0.530 32.244 31.700 0.023 0.000 0.795 278 A N 3.778 126.525 122.820 -0.122 0.000 1.929 278 A HA -0.327 3.995 4.320 0.002 0.000 0.221 278 A C 2.160 179.661 177.584 -0.138 0.000 1.211 278 A CA 2.340 54.256 52.037 -0.202 0.000 0.657 278 A CB -1.319 17.054 19.000 -1.045 0.000 0.827 278 A HN 0.558 nan 8.150 nan 0.000 0.462 279 Q N -0.416 119.290 119.800 -0.156 0.000 2.167 279 Q HA -0.144 4.198 4.340 0.002 0.000 0.202 279 Q C 1.311 177.403 176.000 0.153 0.000 0.970 279 Q CA 1.878 57.750 55.803 0.115 0.000 0.855 279 Q CB -0.310 28.547 28.738 0.198 0.000 0.911 279 Q HN 0.654 nan 8.270 nan 0.000 0.438 280 D N -0.371 120.105 120.400 0.126 0.000 2.144 280 D HA -0.142 4.500 4.640 0.002 0.000 0.199 280 D C 1.702 178.142 176.300 0.235 0.000 0.984 280 D CA 1.031 55.145 54.000 0.189 0.000 0.834 280 D CB -0.115 40.783 40.800 0.165 0.000 0.955 280 D HN 0.313 nan 8.370 nan 0.000 0.465 281 L N 0.057 121.365 121.223 0.142 0.000 2.017 281 L HA -0.134 4.207 4.340 0.002 0.000 0.208 281 L C 2.509 179.451 176.870 0.120 0.000 1.073 281 L CA 0.649 55.528 54.840 0.065 0.000 0.745 281 L CB -0.534 41.423 42.059 -0.170 0.000 0.894 281 L HN -0.039 nan 8.230 nan 0.000 0.432 282 V N -0.050 119.992 119.914 0.213 0.000 2.343 282 V HA -0.288 3.833 4.120 0.002 0.000 0.247 282 V C 2.025 178.255 176.094 0.226 0.000 1.051 282 V CA 1.903 64.380 62.300 0.295 0.000 1.036 282 V CB -0.548 31.541 31.823 0.443 0.000 0.654 282 V HN 0.429 nan 8.190 nan 0.000 0.451 283 D N -1.000 119.495 120.400 0.157 0.000 2.265 283 D HA -0.140 4.501 4.640 0.002 0.000 0.208 283 D C 1.745 177.907 176.300 -0.230 0.000 0.977 283 D CA 1.382 55.378 54.000 -0.007 0.000 0.871 283 D CB -0.168 40.570 40.800 -0.103 0.000 0.925 283 D HN 0.649 nan 8.370 nan 0.000 0.485 284 H N -1.108 118.010 119.070 0.079 0.000 2.986 284 H HA 0.109 4.667 4.556 0.002 0.000 0.267 284 H C 1.674 177.015 175.328 0.021 0.000 1.072 284 H CA 0.151 56.227 56.048 0.047 0.000 1.202 284 H CB 0.527 30.401 29.762 0.186 0.000 1.535 284 H HN 0.210 nan 8.280 nan 0.000 0.522 285 E N 0.391 120.695 120.200 0.174 0.000 2.118 285 E HA -0.244 4.107 4.350 0.002 0.000 0.195 285 E C 1.384 178.165 176.600 0.301 0.000 0.992 285 E CA 1.019 57.605 56.400 0.311 0.000 0.804 285 E CB -0.298 29.561 29.700 0.265 0.000 0.741 285 E HN 0.439 nan 8.360 nan 0.000 0.458 286 W N 2.051 123.260 121.300 -0.152 0.000 2.595 286 W HA 0.017 4.678 4.660 0.002 0.000 0.257 286 W C 1.027 177.496 176.519 -0.083 0.000 1.267 286 W CA 0.996 58.221 57.345 -0.200 0.000 1.300 286 W CB -0.404 28.833 29.460 -0.372 0.000 1.120 286 W HN 0.293 nan 8.180 nan 0.000 0.618 287 H N -1.007 118.191 119.070 0.214 0.000 2.559 287 H HA -0.062 4.495 4.556 0.002 0.000 0.273 287 H C 2.002 177.381 175.328 0.084 0.000 1.000 287 H CA 1.093 57.198 56.048 0.095 0.000 1.195 287 H CB 0.099 29.939 29.762 0.130 0.000 1.368 287 H HN 0.020 nan 8.280 nan 0.000 0.592 288 V N -1.294 118.743 119.914 0.205 0.000 3.649 288 V HA 0.145 4.267 4.120 0.002 0.000 0.275 288 V C 0.577 176.686 176.094 0.024 0.000 1.281 288 V CA -0.087 62.272 62.300 0.100 0.000 1.143 288 V CB -0.624 31.240 31.823 0.068 0.000 0.892 288 V HN 0.144 nan 8.190 nan 0.000 0.441 289 L N 2.042 123.297 121.223 0.053 0.000 2.490 289 L HA 0.208 4.549 4.340 0.002 0.000 0.274 289 L C -0.560 176.313 176.870 0.005 0.000 1.201 289 L CA -0.909 53.944 54.840 0.021 0.000 0.869 289 L CB 0.689 42.789 42.059 0.069 0.000 1.123 289 L HN 0.185 nan 8.230 nan 0.000 0.484 290 P HA -0.039 nan 4.420 nan 0.000 0.225 290 P C -0.478 176.816 177.300 -0.010 0.000 1.156 290 P CA 0.919 64.012 63.100 -0.012 0.000 0.787 290 P CB 0.467 32.156 31.700 -0.019 0.000 0.802 291 Q N -1.341 118.454 119.800 -0.008 0.000 2.495 291 Q HA 0.337 4.678 4.340 0.002 0.000 0.287 291 Q C -0.663 175.331 176.000 -0.009 0.000 1.078 291 Q CA -0.785 55.013 55.803 -0.009 0.000 0.793 291 Q CB 1.290 30.025 28.738 -0.006 0.000 1.459 291 Q HN -0.071 nan 8.270 nan 0.000 0.422 292 E N 0.744 120.935 120.200 -0.015 0.000 2.415 292 E HA 0.266 4.618 4.350 0.002 0.000 0.260 292 E C -0.938 175.662 176.600 0.001 0.000 1.016 292 E CA 0.313 56.702 56.400 -0.018 0.000 0.924 292 E CB 0.356 30.043 29.700 -0.021 0.000 0.961 292 E HN 0.528 nan 8.360 nan 0.000 0.459 293 S N 3.849 119.558 115.700 0.017 0.000 2.651 293 S HA 0.615 5.087 4.470 0.002 0.000 0.279 293 S C -0.487 174.139 174.600 0.044 0.000 1.148 293 S CA -0.901 57.310 58.200 0.019 0.000 0.837 293 S CB 1.151 64.349 63.200 -0.005 0.000 1.138 293 S HN 0.592 nan 8.310 nan 0.000 0.478 294 I N -2.086 118.495 120.570 0.018 0.000 2.892 294 I HA 0.711 4.883 4.170 0.002 0.000 0.306 294 I C -0.524 175.541 176.117 -0.087 0.000 1.078 294 I CA -1.057 60.256 61.300 0.022 0.000 1.032 294 I CB 1.086 39.144 38.000 0.097 0.000 1.229 294 I HN 0.609 nan 8.210 nan 0.000 0.435 295 F N 1.872 121.560 119.950 -0.437 0.000 3.091 295 F HA -0.183 4.346 4.527 0.003 0.000 0.288 295 F C -0.347 174.851 175.800 -1.002 0.000 0.907 295 F CA 0.657 58.139 58.000 -0.863 0.000 1.028 295 F CB -0.605 37.838 39.000 -0.929 0.000 1.022 295 F HN 0.602 nan 8.300 nan 0.000 0.665 296 R N 0.315 120.252 120.500 -0.939 0.000 2.673 296 R HA 0.680 5.022 4.340 0.002 0.000 0.281 296 R C -1.097 174.634 176.300 -0.949 0.000 0.991 296 R CA -0.602 55.026 56.100 -0.788 0.000 0.896 296 R CB 1.545 31.694 30.300 -0.252 0.000 1.201 296 R HN -0.001 nan 8.270 nan 0.000 0.457 297 F N -0.788 119.224 119.950 0.104 0.000 2.556 297 F HA 0.335 4.863 4.527 0.002 0.000 0.314 297 F C 1.422 177.230 175.800 0.013 0.000 1.106 297 F CA -0.803 57.230 58.000 0.055 0.000 0.911 297 F CB 1.974 41.098 39.000 0.206 0.000 1.190 297 F HN 0.358 nan 8.300 nan 0.000 0.448 298 S N 0.899 116.670 115.700 0.117 0.000 2.348 298 S HA -0.048 4.423 4.470 0.002 0.000 0.221 298 S C 0.055 174.394 174.600 -0.435 0.000 1.033 298 S CA 1.279 59.380 58.200 -0.164 0.000 1.010 298 S CB -0.219 62.945 63.200 -0.061 0.000 0.891 298 S HN 0.374 nan 8.310 nan 0.000 0.442 299 F N 1.469 121.524 119.950 0.175 0.000 2.430 299 F HA 0.546 5.074 4.527 0.002 0.000 0.362 299 F C -0.035 175.811 175.800 0.078 0.000 1.103 299 F CA -0.891 57.211 58.000 0.170 0.000 1.045 299 F CB 1.326 40.464 39.000 0.230 0.000 1.276 299 F HN -0.087 nan 8.300 nan 0.000 0.444 300 V N 0.710 120.601 119.914 -0.037 0.000 3.167 300 V HA 0.761 4.882 4.120 0.002 0.000 0.310 300 V C -2.917 172.812 176.094 -0.608 0.000 1.207 300 V CA -3.367 58.550 62.300 -0.639 0.000 1.059 300 V CB 1.992 33.615 31.823 -0.334 0.000 1.079 300 V HN 0.236 nan 8.190 nan 0.000 0.446 301 P HA 0.168 nan 4.420 nan 0.000 0.264 301 P C -0.689 176.483 177.300 -0.213 0.000 1.183 301 P CA 0.487 63.336 63.100 -0.418 0.000 0.763 301 P CB 0.623 31.997 31.700 -0.545 0.000 0.807 302 V N 4.990 124.855 119.914 -0.082 0.000 2.547 302 V HA 0.243 4.364 4.120 0.002 0.000 0.299 302 V C -0.303 175.773 176.094 -0.030 0.000 1.040 302 V CA -0.853 61.420 62.300 -0.045 0.000 0.913 302 V CB 2.040 33.867 31.823 0.008 0.000 0.992 302 V HN 0.132 nan 8.190 nan 0.000 0.449 303 V N 7.245 127.143 119.914 -0.028 0.000 2.341 303 V HA 0.175 4.296 4.120 0.002 0.000 0.248 303 V C 0.768 176.870 176.094 0.014 0.000 1.107 303 V CA 0.263 62.560 62.300 -0.005 0.000 1.069 303 V CB 0.081 31.894 31.823 -0.017 0.000 1.177 303 V HN 1.055 nan 8.190 nan 0.000 0.492 304 D N 2.665 123.088 120.400 0.037 0.000 2.350 304 D HA 0.101 4.743 4.640 0.002 0.000 0.213 304 D C 1.593 177.919 176.300 0.043 0.000 1.031 304 D CA 0.623 54.649 54.000 0.043 0.000 0.861 304 D CB 0.285 41.124 40.800 0.064 0.000 0.926 304 D HN 0.655 nan 8.370 nan 0.000 0.520 305 G N 0.693 109.518 108.800 0.042 0.000 2.166 305 G HA2 -0.345 3.616 3.960 0.002 0.000 0.260 305 G HA3 -0.345 3.616 3.960 0.002 0.000 0.260 305 G C 0.383 175.309 174.900 0.043 0.000 0.986 305 G CA 0.914 46.035 45.100 0.034 0.000 0.683 305 G HN 0.547 nan 8.290 nan 0.000 0.527 306 D N -1.612 118.830 120.400 0.071 0.000 3.051 306 D HA 0.241 4.882 4.640 0.002 0.000 0.216 306 D C 1.778 178.140 176.300 0.103 0.000 1.454 306 D CA 0.299 54.347 54.000 0.079 0.000 1.400 306 D CB -0.640 40.215 40.800 0.092 0.000 0.975 306 D HN 0.063 nan 8.370 nan 0.000 0.212 307 F N 1.174 121.134 119.950 0.016 0.000 2.087 307 F HA 0.069 4.597 4.527 0.002 0.000 0.299 307 F C 0.594 176.396 175.800 0.003 0.000 1.100 307 F CA 1.329 59.338 58.000 0.014 0.000 1.226 307 F CB 0.048 39.054 39.000 0.011 0.000 0.983 307 F HN 0.007 nan 8.300 nan 0.000 0.479 308 L N 0.744 122.142 121.223 0.291 0.000 2.276 308 L HA 0.194 4.535 4.340 0.002 0.000 0.286 308 L C 1.290 178.208 176.870 0.080 0.000 1.024 308 L CA -0.164 54.776 54.840 0.167 0.000 0.826 308 L CB 1.416 43.557 42.059 0.137 0.000 1.211 308 L HN 0.068 nan 8.230 nan 0.000 0.422 309 S N 0.191 115.917 115.700 0.044 0.000 2.522 309 S HA 0.033 4.504 4.470 0.002 0.000 0.227 309 S C 0.347 174.958 174.600 0.019 0.000 0.986 309 S CA 0.219 58.433 58.200 0.023 0.000 0.929 309 S CB 0.076 63.279 63.200 0.005 0.000 0.769 309 S HN 0.727 nan 8.310 nan 0.000 0.529 310 D N 0.202 120.615 120.400 0.022 0.000 2.738 310 D HA 0.251 4.893 4.640 0.002 0.000 0.308 310 D C -0.902 175.403 176.300 0.009 0.000 1.311 310 D CA -0.012 53.995 54.000 0.012 0.000 0.799 310 D CB 1.143 41.948 40.800 0.008 0.000 1.332 310 D HN 0.168 nan 8.370 nan 0.000 0.441 311 T N -0.724 113.828 114.554 -0.004 0.000 2.932 311 T HA 0.251 4.602 4.350 0.002 0.000 0.312 311 T C -1.782 172.911 174.700 -0.013 0.000 1.071 311 T CA -0.598 61.490 62.100 -0.019 0.000 1.128 311 T CB 0.957 69.808 68.868 -0.029 0.000 0.984 311 T HN 0.121 nan 8.240 nan 0.000 0.549 312 P HA -0.104 nan 4.420 nan 0.000 0.217 312 P C 1.465 178.754 177.300 -0.018 0.000 1.148 312 P CA 1.056 64.141 63.100 -0.026 0.000 0.828 312 P CB 0.079 31.734 31.700 -0.075 0.000 0.783 313 E N -0.362 119.819 120.200 -0.032 0.000 2.058 313 E HA -0.216 4.135 4.350 0.002 0.000 0.194 313 E C 1.916 178.520 176.600 0.008 0.000 0.997 313 E CA 1.367 57.755 56.400 -0.020 0.000 0.801 313 E CB -0.458 29.224 29.700 -0.030 0.000 0.746 313 E HN 0.092 nan 8.360 nan 0.000 0.450 314 A N 0.756 123.581 122.820 0.008 0.000 1.930 314 A HA -0.100 4.221 4.320 0.002 0.000 0.217 314 A C 2.170 179.778 177.584 0.040 0.000 1.175 314 A CA 0.917 52.964 52.037 0.018 0.000 0.627 314 A CB -0.474 18.531 19.000 0.008 0.000 0.815 314 A HN 0.279 nan 8.150 nan 0.000 0.443 315 L N -0.001 121.254 121.223 0.053 0.000 2.156 315 L HA -0.084 4.257 4.340 0.002 0.000 0.208 315 L C 2.497 179.484 176.870 0.196 0.000 1.095 315 L CA 1.277 56.174 54.840 0.095 0.000 0.770 315 L CB -0.567 41.548 42.059 0.095 0.000 0.914 315 L HN 0.640 nan 8.230 nan 0.000 0.439 316 I N -3.243 117.426 120.570 0.166 0.000 2.761 316 I HA -0.098 4.073 4.170 0.002 0.000 0.261 316 I C 1.896 178.147 176.117 0.224 0.000 1.198 316 I CA 1.037 62.469 61.300 0.219 0.000 1.482 316 I CB -0.436 37.575 38.000 0.019 0.000 1.100 316 I HN 0.162 nan 8.210 nan 0.000 0.445 317 N N 1.602 120.377 118.700 0.126 0.000 2.270 317 N HA -0.105 4.636 4.740 0.002 0.000 0.181 317 N C 1.857 177.421 175.510 0.091 0.000 1.016 317 N CA 2.169 55.275 53.050 0.093 0.000 0.870 317 N CB -0.249 38.268 38.487 0.051 0.000 0.979 317 N HN 0.674 nan 8.380 nan 0.000 0.431 318 T N -3.882 110.719 114.554 0.077 0.000 3.010 318 T HA 0.307 4.658 4.350 0.002 0.000 0.257 318 T C 0.981 175.655 174.700 -0.043 0.000 1.020 318 T CA -0.317 61.795 62.100 0.019 0.000 0.938 318 T CB 0.063 68.931 68.868 0.000 0.000 1.049 318 T HN 0.043 nan 8.240 nan 0.000 0.522 319 G N 1.037 109.807 108.800 -0.049 0.000 2.569 319 G HA2 0.405 4.366 3.960 0.002 0.000 0.249 319 G HA3 0.405 4.366 3.960 0.002 0.000 0.249 319 G C -1.071 173.440 174.900 -0.648 0.000 1.216 319 G CA -0.378 44.440 45.100 -0.469 0.000 0.845 319 G HN 0.321 nan 8.290 nan 0.000 0.568 320 D N 0.003 119.953 120.400 -0.750 0.000 2.329 320 D HA 0.393 5.035 4.640 0.002 0.000 0.232 320 D C -0.542 175.357 176.300 -0.668 0.000 1.088 320 D CA -0.644 53.061 54.000 -0.491 0.000 0.835 320 D CB 0.649 41.292 40.800 -0.262 0.000 1.078 320 D HN 0.101 nan 8.370 nan 0.000 0.495 321 F N 2.241 122.197 119.950 0.008 0.000 2.908 321 F HA 0.251 4.780 4.527 0.003 0.000 0.328 321 F C 1.846 177.654 175.800 0.014 0.000 1.211 321 F CA -0.394 57.615 58.000 0.014 0.000 1.291 321 F CB 0.391 39.407 39.000 0.027 0.000 0.962 321 F HN 0.375 nan 8.300 nan 0.000 0.505 322 Q N 0.546 120.397 119.800 0.086 0.000 2.079 322 Q HA -0.153 4.188 4.340 0.002 0.000 0.200 322 Q C 1.026 177.062 176.000 0.060 0.000 0.974 322 Q CA 1.591 57.432 55.803 0.062 0.000 0.840 322 Q CB -0.046 28.702 28.738 0.017 0.000 0.898 322 Q HN 0.451 nan 8.270 nan 0.000 0.430 323 D N -0.197 120.232 120.400 0.047 0.000 2.434 323 D HA 0.078 4.719 4.640 0.002 0.000 0.232 323 D C -0.350 175.984 176.300 0.056 0.000 1.166 323 D CA -0.106 53.916 54.000 0.036 0.000 0.830 323 D CB -0.154 40.650 40.800 0.007 0.000 0.960 323 D HN -0.004 nan 8.370 nan 0.000 0.497 324 L N 0.557 121.841 121.223 0.102 0.000 2.341 324 L HA 0.446 4.787 4.340 0.002 0.000 0.278 324 L C -1.108 175.848 176.870 0.143 0.000 1.005 324 L CA -0.418 54.500 54.840 0.129 0.000 0.818 324 L CB 1.959 44.134 42.059 0.193 0.000 1.259 324 L HN -0.193 nan 8.230 nan 0.000 0.418 325 Q N 3.339 123.238 119.800 0.165 0.000 2.274 325 Q HA 0.808 5.149 4.340 0.002 0.000 0.260 325 Q C -1.382 174.882 176.000 0.439 0.000 0.974 325 Q CA -0.540 55.421 55.803 0.263 0.000 0.876 325 Q CB 2.668 31.539 28.738 0.223 0.000 1.297 325 Q HN 0.478 nan 8.270 nan 0.000 0.446 326 V N 2.311 122.460 119.914 0.392 0.000 2.733 326 V HA 0.426 4.548 4.120 0.002 0.000 0.306 326 V C -1.629 174.397 176.094 -0.114 0.000 1.084 326 V CA -0.835 61.587 62.300 0.203 0.000 0.905 326 V CB 2.073 33.935 31.823 0.064 0.000 1.010 326 V HN 0.588 nan 8.190 nan 0.000 0.424 327 L N 7.161 128.101 121.223 -0.471 0.000 2.305 327 L HA 0.893 5.234 4.340 0.002 0.000 0.284 327 L C -0.471 176.264 176.870 -0.225 0.000 1.013 327 L CA -0.215 54.264 54.840 -0.602 0.000 0.819 327 L CB 1.529 42.787 42.059 -1.335 0.000 1.227 327 L HN 0.589 nan 8.230 nan 0.000 0.417 328 V N 2.224 122.069 119.914 -0.114 0.000 2.962 328 V HA 1.130 5.251 4.120 0.002 0.000 0.313 328 V C -0.093 175.796 176.094 -0.341 0.000 1.099 328 V CA 0.133 62.358 62.300 -0.125 0.000 0.971 328 V CB 1.124 32.847 31.823 -0.166 0.000 1.028 328 V HN 1.051 nan 8.190 nan 0.000 0.430 329 G N 0.727 109.193 108.800 -0.558 0.000 2.489 329 G HA2 0.795 4.756 3.960 0.002 0.000 0.305 329 G HA3 0.795 4.756 3.960 0.002 0.000 0.305 329 G C -1.190 173.411 174.900 -0.498 0.000 1.311 329 G CA 0.080 44.493 45.100 -1.145 0.000 0.813 329 G HN 2.072 nan 8.290 nan 0.000 0.480 330 V N -2.341 117.407 119.914 -0.278 0.000 3.159 330 V HA 0.904 5.026 4.120 0.002 0.000 0.308 330 V C 0.258 176.545 176.094 0.322 0.000 1.190 330 V CA -0.405 61.951 62.300 0.093 0.000 1.037 330 V CB 1.085 32.935 31.823 0.045 0.000 1.060 330 V HN 1.843 nan 8.190 nan 0.000 0.437 331 V N -0.135 119.981 119.914 0.336 0.000 3.134 331 V HA 0.550 4.671 4.120 0.002 0.000 0.313 331 V C 1.480 177.765 176.094 0.318 0.000 1.069 331 V CA 0.146 62.692 62.300 0.410 0.000 1.048 331 V CB 1.178 33.230 31.823 0.381 0.000 1.119 331 V HN 1.117 nan 8.190 nan 0.000 0.461 332 K N 0.234 120.821 120.400 0.312 0.000 2.097 332 K HA -0.107 4.214 4.320 0.002 0.000 0.206 332 K C 0.082 176.810 176.600 0.213 0.000 1.049 332 K CA 2.132 58.557 56.287 0.231 0.000 0.933 332 K CB -0.052 32.562 32.500 0.191 0.000 0.717 332 K HN 0.958 nan 8.250 nan 0.000 0.442 333 D N 0.760 121.296 120.400 0.227 0.000 2.502 333 D HA 0.067 4.708 4.640 0.002 0.000 0.301 333 D C 0.062 176.514 176.300 0.252 0.000 1.202 333 D CA -0.214 53.915 54.000 0.214 0.000 0.878 333 D CB 1.354 42.258 40.800 0.175 0.000 1.062 333 D HN 0.051 nan 8.370 nan 0.000 0.499 334 E N 0.591 120.953 120.200 0.272 0.000 2.118 334 E HA -0.128 4.224 4.350 0.002 0.000 0.195 334 E C 2.121 178.955 176.600 0.391 0.000 0.992 334 E CA 0.882 57.494 56.400 0.353 0.000 0.804 334 E CB 0.004 29.878 29.700 0.290 0.000 0.741 334 E HN 0.533 nan 8.360 nan 0.000 0.458 335 G N 1.007 109.986 108.800 0.298 0.000 2.494 335 G HA2 -0.178 3.783 3.960 0.002 0.000 0.216 335 G HA3 -0.178 3.783 3.960 0.002 0.000 0.216 335 G C 1.760 176.865 174.900 0.342 0.000 1.140 335 G CA 0.885 46.177 45.100 0.319 0.000 0.801 335 G HN 0.375 nan 8.290 nan 0.000 0.536 336 S N 0.195 116.045 115.700 0.250 0.000 2.356 336 S HA -0.234 4.237 4.470 0.002 0.000 0.223 336 S C 2.131 176.761 174.600 0.050 0.000 1.032 336 S CA 1.336 59.637 58.200 0.169 0.000 1.005 336 S CB -0.832 62.383 63.200 0.024 0.000 0.867 336 S HN 0.380 nan 8.310 nan 0.000 0.449 337 Y N 2.053 122.234 120.300 -0.197 0.000 2.132 337 Y HA -0.240 4.311 4.550 0.002 0.000 0.280 337 Y C 1.750 177.457 175.900 -0.323 0.000 1.193 337 Y CA 1.756 59.578 58.100 -0.464 0.000 1.157 337 Y CB -0.710 37.388 38.460 -0.604 0.000 0.966 337 Y HN 0.302 nan 8.280 nan 0.000 0.511 338 F N -1.014 118.935 119.950 -0.002 0.000 2.456 338 F HA -0.081 4.447 4.527 0.002 0.000 0.298 338 F C 2.001 177.808 175.800 0.012 0.000 1.104 338 F CA 0.665 58.644 58.000 -0.036 0.000 1.435 338 F CB -0.417 38.554 39.000 -0.049 0.000 1.078 338 F HN -0.009 nan 8.300 nan 0.000 0.546 339 L N -0.093 121.201 121.223 0.119 0.000 2.093 339 L HA -0.135 4.206 4.340 0.002 0.000 0.208 339 L C 2.415 179.350 176.870 0.109 0.000 1.085 339 L CA 1.028 55.822 54.840 -0.076 0.000 0.755 339 L CB -0.970 40.780 42.059 -0.515 0.000 0.904 339 L HN 0.152 nan 8.230 nan 0.000 0.435 340 V N -4.652 115.380 119.914 0.197 0.000 3.141 340 V HA -0.186 3.935 4.120 0.002 0.000 0.265 340 V C 1.984 178.134 176.094 0.094 0.000 1.126 340 V CA 0.977 63.425 62.300 0.246 0.000 1.141 340 V CB -1.074 30.910 31.823 0.269 0.000 0.743 340 V HN 0.265 nan 8.190 nan 0.000 0.492 341 Y N 2.239 122.574 120.300 0.059 0.000 2.262 341 Y HA 0.449 5.000 4.550 0.002 0.000 0.295 341 Y C 2.472 178.431 175.900 0.099 0.000 1.121 341 Y CA 1.583 59.722 58.100 0.065 0.000 1.144 341 Y CB -0.112 38.381 38.460 0.056 0.000 1.043 341 Y HN 0.383 nan 8.280 nan 0.000 0.528 342 G N -1.077 107.878 108.800 0.258 0.000 4.165 342 G HA2 0.350 4.311 3.960 0.002 0.000 0.287 342 G HA3 0.350 4.311 3.960 0.002 0.000 0.287 342 G C -1.121 173.859 174.900 0.133 0.000 1.019 342 G CA -0.025 45.182 45.100 0.177 0.000 0.806 342 G HN -0.028 nan 8.290 nan 0.000 0.447 343 V N 2.108 122.113 119.914 0.151 0.000 2.357 343 V HA 0.358 4.479 4.120 0.002 0.000 0.284 343 V C -2.227 174.044 176.094 0.295 0.000 1.018 343 V CA -1.969 60.433 62.300 0.169 0.000 0.841 343 V CB 1.890 33.743 31.823 0.050 0.000 0.991 343 V HN 0.007 nan 8.190 nan 0.000 0.437 344 P HA 0.298 nan 4.420 nan 0.000 0.266 344 P C 1.013 178.429 177.300 0.193 0.000 1.195 344 P CA 1.140 64.341 63.100 0.169 0.000 0.768 344 P CB 0.785 32.543 31.700 0.098 0.000 0.838 345 G N 0.792 109.643 108.800 0.085 0.000 2.213 345 G HA2 -0.207 3.754 3.960 0.002 0.000 0.226 345 G HA3 -0.207 3.754 3.960 0.002 0.000 0.226 345 G C -0.173 174.553 174.900 -0.291 0.000 0.992 345 G CA -0.576 44.456 45.100 -0.115 0.000 0.632 345 G HN 0.392 nan 8.290 nan 0.000 0.511 346 F N 1.374 121.343 119.950 0.031 0.000 2.425 346 F HA 0.813 5.341 4.527 0.002 0.000 0.331 346 F C 0.646 176.534 175.800 0.148 0.000 1.085 346 F CA -0.118 57.921 58.000 0.065 0.000 1.028 346 F CB 2.258 41.342 39.000 0.138 0.000 1.177 346 F HN 0.169 nan 8.300 nan 0.000 0.487 347 S N 1.030 116.965 115.700 0.391 0.000 2.543 347 S HA 0.245 4.716 4.470 0.002 0.000 0.274 347 S C 0.188 175.057 174.600 0.448 0.000 1.149 347 S CA -0.878 57.537 58.200 0.359 0.000 0.866 347 S CB 1.269 64.587 63.200 0.196 0.000 1.111 347 S HN 0.764 nan 8.310 nan 0.000 0.457 348 K N 1.279 121.844 120.400 0.275 0.000 2.365 348 K HA 0.088 4.409 4.320 0.002 0.000 0.199 348 K C -0.046 176.578 176.600 0.040 0.000 1.045 348 K CA 1.158 57.519 56.287 0.124 0.000 0.962 348 K CB -0.122 32.213 32.500 -0.276 0.000 0.759 348 K HN 0.431 nan 8.250 nan 0.000 0.469 349 D N 1.058 121.466 120.400 0.015 0.000 2.340 349 D HA 0.037 4.678 4.640 0.002 0.000 0.217 349 D C -0.373 175.954 176.300 0.045 0.000 1.081 349 D CA 0.182 54.168 54.000 -0.023 0.000 0.842 349 D CB 0.120 40.883 40.800 -0.062 0.000 0.934 349 D HN 0.489 nan 8.370 nan 0.000 0.511 350 N N -1.397 117.373 118.700 0.116 0.000 3.243 350 N HA 0.064 4.806 4.740 0.002 0.000 0.280 350 N C 0.275 175.846 175.510 0.101 0.000 1.545 350 N CA -0.517 52.578 53.050 0.075 0.000 0.854 350 N CB 0.835 39.323 38.487 0.001 0.000 1.612 350 N HN -0.427 nan 8.380 nan 0.000 0.577 351 E N -0.305 119.875 120.200 -0.034 0.000 2.482 351 E HA 0.027 4.378 4.350 0.002 0.000 0.196 351 E C -0.396 175.836 176.600 -0.614 0.000 1.047 351 E CA 0.414 56.704 56.400 -0.183 0.000 0.869 351 E CB -0.506 29.128 29.700 -0.110 0.000 0.836 351 E HN 0.583 nan 8.360 nan 0.000 0.520 352 S N 0.105 115.504 115.700 -0.502 0.000 3.581 352 S HA -0.196 4.276 4.470 0.002 0.000 0.354 352 S C 0.304 174.465 174.600 -0.731 0.000 1.059 352 S CA 0.172 57.938 58.200 -0.722 0.000 1.060 352 S CB -1.789 60.738 63.200 -1.122 0.000 0.908 352 S HN 0.288 nan 8.310 nan 0.000 0.475 353 L N 1.799 122.746 121.223 -0.460 0.000 2.485 353 L HA 0.368 4.710 4.340 0.002 0.000 0.279 353 L C 0.784 177.458 176.870 -0.326 0.000 1.124 353 L CA -0.081 54.550 54.840 -0.348 0.000 0.888 353 L CB -0.073 41.852 42.059 -0.222 0.000 1.217 353 L HN 0.439 nan 8.230 nan 0.000 0.464 354 I N 0.284 120.649 120.570 -0.341 0.000 2.924 354 I HA 0.649 4.820 4.170 0.002 0.000 0.316 354 I C 0.612 176.656 176.117 -0.122 0.000 1.014 354 I CA -0.567 60.577 61.300 -0.260 0.000 1.106 354 I CB 1.772 39.581 38.000 -0.318 0.000 1.311 354 I HN 0.526 nan 8.210 nan 0.000 0.502 355 S N 2.046 117.709 115.700 -0.063 0.000 2.693 355 S HA 0.411 4.882 4.470 0.002 0.000 0.276 355 S C 0.904 175.530 174.600 0.042 0.000 1.192 355 S CA -0.555 57.634 58.200 -0.018 0.000 0.994 355 S CB 1.626 64.821 63.200 -0.009 0.000 1.012 355 S HN 0.862 nan 8.310 nan 0.000 0.550 356 R N 0.447 120.973 120.500 0.044 0.000 2.081 356 R HA -0.067 4.275 4.340 0.002 0.000 0.235 356 R C 2.378 178.767 176.300 0.148 0.000 1.131 356 R CA 1.668 57.829 56.100 0.101 0.000 0.960 356 R CB -1.192 29.142 30.300 0.056 0.000 0.856 356 R HN 0.837 nan 8.270 nan 0.000 0.436 357 A N 0.555 123.430 122.820 0.090 0.000 1.917 357 A HA -0.252 4.069 4.320 0.002 0.000 0.219 357 A C 2.043 179.682 177.584 0.092 0.000 1.182 357 A CA 1.788 53.872 52.037 0.079 0.000 0.633 357 A CB -0.539 18.489 19.000 0.048 0.000 0.819 357 A HN 0.558 nan 8.150 nan 0.000 0.448 358 Q N -2.077 117.783 119.800 0.100 0.000 2.230 358 Q HA -0.025 4.317 4.340 0.002 0.000 0.202 358 Q C 1.797 177.919 176.000 0.204 0.000 0.963 358 Q CA 1.155 57.030 55.803 0.121 0.000 0.866 358 Q CB -0.235 28.551 28.738 0.081 0.000 0.931 358 Q HN 0.810 nan 8.270 nan 0.000 0.452 359 F N 1.106 121.101 119.950 0.074 0.000 2.084 359 F HA -0.192 4.336 4.527 0.002 0.000 0.296 359 F C 1.703 177.549 175.800 0.076 0.000 1.111 359 F CA 1.070 59.125 58.000 0.093 0.000 1.224 359 F CB 0.068 39.103 39.000 0.058 0.000 0.991 359 F HN -0.048 nan 8.300 nan 0.000 0.471 360 L N 0.370 121.579 121.223 -0.024 0.000 2.012 360 L HA -0.245 4.096 4.340 0.002 0.000 0.210 360 L C 2.883 179.691 176.870 -0.103 0.000 1.073 360 L CA 1.280 56.046 54.840 -0.124 0.000 0.748 360 L CB -1.486 40.579 42.059 0.010 0.000 0.891 360 L HN 0.274 nan 8.230 nan 0.000 0.431 361 A N 0.542 123.351 122.820 -0.020 0.000 1.908 361 A HA -0.136 4.185 4.320 0.002 0.000 0.218 361 A C 2.422 179.997 177.584 -0.015 0.000 1.181 361 A CA 1.834 53.870 52.037 -0.003 0.000 0.627 361 A CB -1.285 17.734 19.000 0.033 0.000 0.818 361 A HN 0.461 nan 8.150 nan 0.000 0.445 362 G N -0.774 108.024 108.800 -0.002 0.000 2.422 362 G HA2 -0.070 3.892 3.960 0.002 0.000 0.218 362 G HA3 -0.070 3.892 3.960 0.002 0.000 0.218 362 G C 1.475 176.319 174.900 -0.093 0.000 1.140 362 G CA 1.100 46.199 45.100 -0.003 0.000 0.775 362 G HN 0.312 nan 8.290 nan 0.000 0.545 363 V N 0.855 120.635 119.914 -0.224 0.000 2.407 363 V HA -0.144 3.978 4.120 0.002 0.000 0.248 363 V C 2.993 179.031 176.094 -0.094 0.000 1.055 363 V CA 1.647 63.814 62.300 -0.222 0.000 1.049 363 V CB -0.361 31.236 31.823 -0.376 0.000 0.662 363 V HN 0.211 nan 8.190 nan 0.000 0.455 364 R N -0.230 120.227 120.500 -0.072 0.000 2.115 364 R HA 0.030 4.372 4.340 0.002 0.000 0.230 364 R C 2.040 178.332 176.300 -0.013 0.000 1.111 364 R CA 1.339 57.421 56.100 -0.030 0.000 0.976 364 R CB -0.806 29.482 30.300 -0.021 0.000 0.870 364 R HN 0.490 nan 8.270 nan 0.000 0.445 365 I N -0.508 120.055 120.570 -0.012 0.000 2.353 365 I HA -0.087 4.085 4.170 0.002 0.000 0.248 365 I C 2.278 178.399 176.117 0.006 0.000 1.119 365 I CA 1.403 62.705 61.300 0.003 0.000 1.417 365 I CB -0.504 37.504 38.000 0.015 0.000 1.078 365 I HN 0.182 nan 8.210 nan 0.000 0.421 366 G N 0.337 109.134 108.800 -0.004 0.000 2.484 366 G HA2 -0.039 3.922 3.960 0.002 0.000 0.218 366 G HA3 -0.039 3.922 3.960 0.002 0.000 0.218 366 G C 0.850 175.785 174.900 0.059 0.000 1.130 366 G CA 0.412 45.517 45.100 0.009 0.000 0.784 366 G HN 0.256 nan 8.290 nan 0.000 0.543 367 V N 1.925 121.862 119.914 0.040 0.000 2.361 367 V HA 0.217 4.339 4.120 0.002 0.000 0.252 367 V C -1.513 174.607 176.094 0.043 0.000 0.986 367 V CA -1.005 61.324 62.300 0.048 0.000 1.033 367 V CB 1.579 33.405 31.823 0.006 0.000 1.282 367 V HN 0.085 nan 8.190 nan 0.000 0.514 368 P HA -0.147 nan 4.420 nan 0.000 0.226 368 P C 1.215 178.528 177.300 0.022 0.000 1.153 368 P CA 0.933 64.047 63.100 0.023 0.000 0.777 368 P CB 0.429 32.138 31.700 0.015 0.000 0.794 369 Q N -0.199 119.624 119.800 0.038 0.000 2.403 369 Q HA 0.155 4.497 4.340 0.002 0.000 0.203 369 Q C 0.541 176.549 176.000 0.013 0.000 0.932 369 Q CA 0.027 55.845 55.803 0.025 0.000 0.945 369 Q CB -0.506 28.255 28.738 0.037 0.000 1.045 369 Q HN 0.025 nan 8.270 nan 0.000 0.511 370 A N 2.023 124.850 122.820 0.012 0.000 2.401 370 A HA 0.406 4.728 4.320 0.002 0.000 0.259 370 A C 0.519 178.101 177.584 -0.004 0.000 1.103 370 A CA 0.032 52.069 52.037 0.000 0.000 0.789 370 A CB 0.365 19.368 19.000 0.006 0.000 1.035 370 A HN 0.528 nan 8.150 nan 0.000 0.491 371 S N 1.793 117.486 115.700 -0.012 0.000 2.617 371 S HA 0.103 4.574 4.470 0.002 0.000 0.255 371 S C 0.420 175.021 174.600 0.002 0.000 1.318 371 S CA 0.219 58.413 58.200 -0.009 0.000 0.978 371 S CB 0.304 63.495 63.200 -0.017 0.000 0.961 371 S HN 0.631 nan 8.310 nan 0.000 0.582 372 D N 0.011 120.414 120.400 0.006 0.000 2.117 372 D HA -0.067 4.574 4.640 0.002 0.000 0.197 372 D C 1.765 178.081 176.300 0.028 0.000 0.987 372 D CA 0.920 54.929 54.000 0.016 0.000 0.829 372 D CB -0.494 40.315 40.800 0.016 0.000 0.961 372 D HN 0.411 nan 8.370 nan 0.000 0.460 373 L N 0.723 121.961 121.223 0.025 0.000 2.056 373 L HA -0.029 4.313 4.340 0.002 0.000 0.207 373 L C 2.075 178.979 176.870 0.058 0.000 1.078 373 L CA 1.679 56.545 54.840 0.042 0.000 0.749 373 L CB -0.770 41.308 42.059 0.031 0.000 0.901 373 L HN -0.021 nan 8.230 nan 0.000 0.433 374 A N -0.520 122.317 122.820 0.027 0.000 1.902 374 A HA -0.104 4.217 4.320 0.002 0.000 0.217 374 A C 2.447 180.072 177.584 0.068 0.000 1.181 374 A CA 1.788 53.841 52.037 0.027 0.000 0.623 374 A CB -1.141 17.839 19.000 -0.033 0.000 0.818 374 A HN 0.561 nan 8.150 nan 0.000 0.443 375 A N -0.197 122.652 122.820 0.047 0.000 1.902 375 A HA -0.173 4.149 4.320 0.002 0.000 0.217 375 A C 1.900 179.528 177.584 0.073 0.000 1.181 375 A CA 1.642 53.706 52.037 0.045 0.000 0.623 375 A CB -0.566 18.443 19.000 0.015 0.000 0.818 375 A HN 0.631 nan 8.150 nan 0.000 0.443 376 E N -0.237 120.015 120.200 0.086 0.000 2.085 376 E HA -0.165 4.187 4.350 0.002 0.000 0.194 376 E C 2.294 178.989 176.600 0.159 0.000 0.994 376 E CA 1.013 57.483 56.400 0.117 0.000 0.801 376 E CB -0.305 29.457 29.700 0.103 0.000 0.743 376 E HN 0.634 nan 8.360 nan 0.000 0.453 377 A N 0.844 123.774 122.820 0.183 0.000 1.902 377 A HA -0.156 4.165 4.320 0.002 0.000 0.217 377 A C 2.499 180.185 177.584 0.170 0.000 1.181 377 A CA 1.231 53.417 52.037 0.248 0.000 0.623 377 A CB -0.645 18.616 19.000 0.435 0.000 0.818 377 A HN 0.120 nan 8.150 nan 0.000 0.443 378 V N -0.424 119.605 119.914 0.191 0.000 2.295 378 V HA -0.238 3.884 4.120 0.002 0.000 0.246 378 V C 2.575 178.815 176.094 0.243 0.000 1.049 378 V CA 2.034 64.412 62.300 0.130 0.000 1.024 378 V CB -0.822 31.081 31.823 0.133 0.000 0.648 378 V HN 0.371 nan 8.190 nan 0.000 0.447 379 V N -0.393 119.641 119.914 0.200 0.000 2.343 379 V HA -0.236 3.886 4.120 0.002 0.000 0.247 379 V C 2.396 178.711 176.094 0.369 0.000 1.051 379 V CA 1.583 64.063 62.300 0.300 0.000 1.036 379 V CB -0.515 31.430 31.823 0.204 0.000 0.654 379 V HN 0.393 nan 8.190 nan 0.000 0.451 380 L N -0.330 121.100 121.223 0.344 0.000 2.046 380 L HA -0.217 4.124 4.340 0.002 0.000 0.208 380 L C 2.473 179.567 176.870 0.374 0.000 1.077 380 L CA 2.627 57.747 54.840 0.466 0.000 0.747 380 L CB -1.287 40.937 42.059 0.275 0.000 0.896 380 L HN 0.532 nan 8.230 nan 0.000 0.432 381 H N -1.368 117.716 119.070 0.024 0.000 2.395 381 H HA -0.166 4.391 4.556 0.001 0.000 0.299 381 H C 1.766 176.972 175.328 -0.202 0.000 1.070 381 H CA 1.698 57.614 56.048 -0.220 0.000 1.356 381 H CB 0.054 29.376 29.762 -0.734 0.000 1.401 381 H HN 0.235 nan 8.280 nan 0.000 0.524 382 Y N -0.133 120.222 120.300 0.091 0.000 2.482 382 Y HA 0.151 4.703 4.550 0.004 0.000 0.270 382 Y C 0.795 176.637 175.900 -0.096 0.000 1.152 382 Y CA 0.250 58.403 58.100 0.087 0.000 1.292 382 Y CB 0.263 38.922 38.460 0.332 0.000 1.070 382 Y HN 0.036 nan 8.280 nan 0.000 0.528 383 T N 1.344 115.839 114.554 -0.097 0.000 2.919 383 T HA -0.036 4.316 4.350 0.002 0.000 0.302 383 T C -0.279 174.029 174.700 -0.654 0.000 1.031 383 T CA -0.289 61.469 62.100 -0.569 0.000 1.127 383 T CB 0.315 68.491 68.868 -1.153 0.000 0.952 383 T HN 0.054 nan 8.240 nan 0.000 0.540 384 D N 1.953 122.000 120.400 -0.590 0.000 2.365 384 D HA 0.097 4.738 4.640 0.002 0.000 0.237 384 D C -0.074 175.947 176.300 -0.465 0.000 1.190 384 D CA -0.669 53.053 54.000 -0.464 0.000 0.867 384 D CB 0.379 40.835 40.800 -0.574 0.000 1.050 384 D HN 0.597 nan 8.370 nan 0.000 0.491 385 W N 3.245 124.446 121.300 -0.164 0.000 3.077 385 W HA 0.148 4.808 4.660 0.000 0.000 0.245 385 W C 1.904 178.308 176.519 -0.191 0.000 1.316 385 W CA -0.354 56.905 57.345 -0.144 0.000 1.537 385 W CB 0.143 29.538 29.460 -0.109 0.000 1.131 385 W HN 0.415 nan 8.180 nan 0.000 0.695 386 L N -0.741 120.390 121.223 -0.153 0.000 2.446 386 L HA 0.013 4.354 4.340 0.002 0.000 0.219 386 L C -0.050 176.401 176.870 -0.699 0.000 1.116 386 L CA 1.102 55.695 54.840 -0.411 0.000 0.844 386 L CB -0.038 41.703 42.059 -0.531 0.000 0.970 386 L HN 0.056 nan 8.230 nan 0.000 0.457 387 H N -2.167 116.792 119.070 -0.186 0.000 2.806 387 H HA 0.137 4.693 4.556 0.001 0.000 0.218 387 H C -1.987 173.181 175.328 -0.266 0.000 1.392 387 H CA -0.930 55.000 56.048 -0.196 0.000 1.358 387 H CB 0.383 30.006 29.762 -0.232 0.000 1.944 387 H HN -0.054 nan 8.280 nan 0.000 0.530 388 P HA -0.120 nan 4.420 nan 0.000 0.226 388 P C 0.829 178.002 177.300 -0.211 0.000 1.153 388 P CA 1.106 64.013 63.100 -0.321 0.000 0.777 388 P CB 0.578 32.103 31.700 -0.292 0.000 0.794 389 E N -0.758 119.384 120.200 -0.096 0.000 2.526 389 E HA 0.046 4.398 4.350 0.002 0.000 0.208 389 E C -0.102 176.470 176.600 -0.047 0.000 0.997 389 E CA -0.065 56.299 56.400 -0.060 0.000 0.961 389 E CB -0.098 29.590 29.700 -0.020 0.000 1.030 389 E HN 0.257 nan 8.360 nan 0.000 0.483 390 D N 2.340 122.723 120.400 -0.029 0.000 2.412 390 D HA -0.003 4.638 4.640 0.002 0.000 0.257 390 D C -1.626 174.658 176.300 -0.028 0.000 1.217 390 D CA -1.569 52.432 54.000 0.001 0.000 0.897 390 D CB 1.338 42.196 40.800 0.097 0.000 1.132 390 D HN -0.175 nan 8.370 nan 0.000 0.493 391 P HA -0.099 nan 4.420 nan 0.000 0.218 391 P C 1.105 178.335 177.300 -0.117 0.000 1.149 391 P CA 0.970 64.011 63.100 -0.100 0.000 0.817 391 P CB 0.230 31.862 31.700 -0.114 0.000 0.785 392 T N -1.643 112.845 114.554 -0.110 0.000 2.770 392 T HA -0.138 4.213 4.350 0.002 0.000 0.263 392 T C 1.660 176.288 174.700 -0.120 0.000 1.039 392 T CA 1.108 63.125 62.100 -0.138 0.000 1.142 392 T CB -0.925 67.842 68.868 -0.169 0.000 0.868 392 T HN 0.225 nan 8.240 nan 0.000 0.435 393 H N 0.924 119.931 119.070 -0.104 0.000 2.352 393 H HA 0.021 4.578 4.556 0.001 0.000 0.299 393 H C 2.304 177.536 175.328 -0.160 0.000 1.097 393 H CA 1.178 57.162 56.048 -0.107 0.000 1.311 393 H CB -0.341 29.344 29.762 -0.128 0.000 1.377 393 H HN 0.299 nan 8.280 nan 0.000 0.504 394 L N 0.087 121.251 121.223 -0.097 0.000 2.072 394 L HA -0.118 4.224 4.340 0.002 0.000 0.205 394 L C 2.916 179.764 176.870 -0.037 0.000 1.079 394 L CA 0.789 55.461 54.840 -0.281 0.000 0.752 394 L CB -0.335 41.573 42.059 -0.252 0.000 0.906 394 L HN 0.118 nan 8.230 nan 0.000 0.436 395 R N 0.781 121.283 120.500 0.003 0.000 2.080 395 R HA -0.200 4.142 4.340 0.002 0.000 0.236 395 R C 1.677 178.120 176.300 0.239 0.000 1.137 395 R CA 2.311 58.481 56.100 0.117 0.000 0.943 395 R CB -0.485 29.718 30.300 -0.162 0.000 0.846 395 R HN 0.328 nan 8.270 nan 0.000 0.431 396 D N 0.341 120.830 120.400 0.149 0.000 2.178 396 D HA -0.094 4.547 4.640 0.002 0.000 0.201 396 D C 1.693 178.127 176.300 0.223 0.000 0.980 396 D CA 1.356 55.478 54.000 0.204 0.000 0.842 396 D CB -0.190 40.695 40.800 0.141 0.000 0.948 396 D HN 0.407 nan 8.370 nan 0.000 0.472 397 A N 0.515 123.442 122.820 0.177 0.000 1.929 397 A HA -0.108 4.214 4.320 0.002 0.000 0.216 397 A C 2.124 179.888 177.584 0.301 0.000 1.176 397 A CA 1.167 53.351 52.037 0.246 0.000 0.628 397 A CB -0.404 18.635 19.000 0.065 0.000 0.816 397 A HN 0.120 nan 8.150 nan 0.000 0.444 398 M N -0.049 119.777 119.600 0.376 0.000 2.117 398 M HA -0.104 4.377 4.480 0.002 0.000 0.262 398 M C 2.305 178.695 176.300 0.150 0.000 1.065 398 M CA 2.078 57.586 55.300 0.345 0.000 1.114 398 M CB -0.553 32.295 32.600 0.415 0.000 1.361 398 M HN 0.401 nan 8.290 nan 0.000 0.408 399 S N -0.372 115.446 115.700 0.196 0.000 2.359 399 S HA -0.128 4.344 4.470 0.002 0.000 0.224 399 S C 2.049 176.747 174.600 0.163 0.000 1.035 399 S CA 1.639 59.953 58.200 0.190 0.000 1.018 399 S CB -0.613 62.765 63.200 0.297 0.000 0.876 399 S HN 0.630 nan 8.310 nan 0.000 0.448 400 A N 0.824 123.764 122.820 0.199 0.000 1.902 400 A HA -0.002 4.320 4.320 0.002 0.000 0.217 400 A C 2.352 180.003 177.584 0.111 0.000 1.181 400 A CA 1.753 53.935 52.037 0.242 0.000 0.623 400 A CB -1.121 18.137 19.000 0.429 0.000 0.818 400 A HN 0.455 nan 8.150 nan 0.000 0.443 401 V N -0.356 119.464 119.914 -0.156 0.000 2.252 401 V HA -0.286 3.835 4.120 0.002 0.000 0.249 401 V C 2.590 178.604 176.094 -0.134 0.000 1.056 401 V CA 2.289 64.419 62.300 -0.283 0.000 1.022 401 V CB -0.880 30.779 31.823 -0.275 0.000 0.641 401 V HN 0.388 nan 8.190 nan 0.000 0.445 402 V N 0.600 120.468 119.914 -0.078 0.000 2.295 402 V HA -0.166 3.955 4.120 0.002 0.000 0.246 402 V C 2.589 178.581 176.094 -0.170 0.000 1.049 402 V CA 2.216 64.455 62.300 -0.102 0.000 1.024 402 V CB -1.342 30.475 31.823 -0.010 0.000 0.648 402 V HN 0.629 nan 8.190 nan 0.000 0.447 403 G N -0.589 108.188 108.800 -0.037 0.000 2.408 403 G HA2 -0.202 3.759 3.960 0.002 0.000 0.217 403 G HA3 -0.202 3.759 3.960 0.002 0.000 0.217 403 G C 1.220 176.056 174.900 -0.106 0.000 1.150 403 G CA 0.902 45.994 45.100 -0.014 0.000 0.776 403 G HN 0.500 nan 8.290 nan 0.000 0.542 404 D N -0.311 120.030 120.400 -0.098 0.000 2.103 404 D HA -0.057 4.585 4.640 0.002 0.000 0.199 404 D C 2.120 178.086 176.300 -0.558 0.000 0.978 404 D CA 1.052 54.954 54.000 -0.163 0.000 0.829 404 D CB -0.427 40.449 40.800 0.126 0.000 0.981 404 D HN 0.343 nan 8.370 nan 0.000 0.464 405 H N 1.039 119.491 119.070 -1.030 0.000 2.353 405 H HA 0.025 4.582 4.556 0.002 0.000 0.300 405 H C 1.453 176.367 175.328 -0.689 0.000 1.090 405 H CA 1.596 56.853 56.048 -1.318 0.000 1.327 405 H CB 0.012 28.980 29.762 -1.324 0.000 1.383 405 H HN 0.003 nan 8.280 nan 0.000 0.508 406 N N -0.872 117.389 118.700 -0.731 0.000 2.409 406 N HA 0.005 4.746 4.740 0.002 0.000 0.174 406 N C 1.172 176.428 175.510 -0.423 0.000 1.037 406 N CA 1.064 53.602 53.050 -0.853 0.000 0.898 406 N CB 1.123 38.465 38.487 -1.909 0.000 1.010 406 N HN 0.273 nan 8.380 nan 0.000 0.445 407 V N -0.668 119.062 119.914 -0.306 0.000 3.629 407 V HA 0.045 4.166 4.120 0.002 0.000 0.194 407 V C 2.078 178.139 176.094 -0.056 0.000 1.343 407 V CA 0.143 62.402 62.300 -0.068 0.000 1.292 407 V CB -0.007 31.850 31.823 0.056 0.000 1.287 407 V HN -0.195 nan 8.190 nan 0.000 0.554 408 V N 0.172 120.054 119.914 -0.055 0.000 2.332 408 V HA -0.305 3.816 4.120 0.002 0.000 0.248 408 V C 2.449 178.515 176.094 -0.047 0.000 1.055 408 V CA 2.676 64.957 62.300 -0.032 0.000 1.038 408 V CB -0.727 31.106 31.823 0.016 0.000 0.651 408 V HN 0.687 nan 8.190 nan 0.000 0.450 409 c N -0.699 117.861 118.600 -0.066 0.000 2.486 409 c HA 0.040 4.611 4.570 0.002 0.000 0.279 409 c C 0.558 174.624 174.090 -0.039 0.000 1.302 409 c CA 0.738 57.059 56.329 -0.013 0.000 1.720 409 c CB -1.730 40.809 42.510 0.047 0.000 2.030 409 c HN 0.450 nan 8.230 nan 0.000 0.490 410 P HA -0.091 nan 4.420 nan 0.000 0.216 410 P C 1.761 179.003 177.300 -0.097 0.000 1.153 410 P CA 1.430 64.466 63.100 -0.105 0.000 0.858 410 P CB -0.171 31.436 31.700 -0.154 0.000 0.789 411 V N 0.130 119.989 119.914 -0.093 0.000 2.295 411 V HA -0.285 3.837 4.120 0.002 0.000 0.246 411 V C 2.469 178.469 176.094 -0.156 0.000 1.049 411 V CA 2.292 64.519 62.300 -0.122 0.000 1.024 411 V CB -1.708 30.043 31.823 -0.121 0.000 0.648 411 V HN 0.107 nan 8.190 nan 0.000 0.447 412 A N -0.909 121.840 122.820 -0.118 0.000 1.892 412 A HA -0.368 3.954 4.320 0.002 0.000 0.218 412 A C 2.246 179.800 177.584 -0.051 0.000 1.188 412 A CA 2.490 54.473 52.037 -0.090 0.000 0.631 412 A CB -0.675 18.327 19.000 0.004 0.000 0.822 412 A HN 0.611 nan 8.150 nan 0.000 0.447 413 Q N -1.145 118.638 119.800 -0.028 0.000 2.061 413 Q HA -0.202 4.140 4.340 0.002 0.000 0.204 413 Q C 2.044 178.016 176.000 -0.047 0.000 0.984 413 Q CA 1.772 57.568 55.803 -0.013 0.000 0.846 413 Q CB -0.264 28.466 28.738 -0.014 0.000 0.902 413 Q HN 0.557 nan 8.270 nan 0.000 0.421 414 L N 0.571 121.738 121.223 -0.094 0.000 1.989 414 L HA -0.163 4.178 4.340 0.002 0.000 0.211 414 L C 2.239 179.021 176.870 -0.147 0.000 1.071 414 L CA 2.434 57.197 54.840 -0.128 0.000 0.749 414 L CB -1.045 40.925 42.059 -0.147 0.000 0.890 414 L HN 0.258 nan 8.230 nan 0.000 0.431 415 A N -0.639 122.056 122.820 -0.208 0.000 1.908 415 A HA -0.123 4.198 4.320 0.002 0.000 0.218 415 A C 2.337 179.892 177.584 -0.049 0.000 1.181 415 A CA 1.814 53.682 52.037 -0.281 0.000 0.627 415 A CB -1.657 16.884 19.000 -0.765 0.000 0.818 415 A HN 0.572 nan 8.150 nan 0.000 0.445 416 G N -0.673 108.158 108.800 0.052 0.000 2.421 416 G HA2 -0.217 3.745 3.960 0.002 0.000 0.216 416 G HA3 -0.217 3.745 3.960 0.002 0.000 0.216 416 G C 1.693 176.657 174.900 0.106 0.000 1.171 416 G CA 0.765 45.983 45.100 0.197 0.000 0.775 416 G HN 0.438 nan 8.290 nan 0.000 0.543 417 R N -0.373 120.155 120.500 0.046 0.000 2.096 417 R HA 0.020 4.361 4.340 0.002 0.000 0.235 417 R C 2.493 178.822 176.300 0.049 0.000 1.127 417 R CA 0.581 56.711 56.100 0.049 0.000 0.968 417 R CB -0.918 29.400 30.300 0.029 0.000 0.861 417 R HN 0.304 nan 8.270 nan 0.000 0.440 418 L N 0.564 121.761 121.223 -0.043 0.000 2.056 418 L HA -0.034 4.307 4.340 0.002 0.000 0.207 418 L C 2.478 179.380 176.870 0.053 0.000 1.078 418 L CA 1.802 56.583 54.840 -0.098 0.000 0.749 418 L CB -1.148 40.779 42.059 -0.221 0.000 0.901 418 L HN 0.126 nan 8.230 nan 0.000 0.433 419 A N -0.860 122.005 122.820 0.074 0.000 1.898 419 A HA -0.095 4.227 4.320 0.002 0.000 0.216 419 A C 2.411 180.052 177.584 0.094 0.000 1.181 419 A CA 1.525 53.621 52.037 0.098 0.000 0.620 419 A CB -0.835 18.255 19.000 0.150 0.000 0.819 419 A HN 0.375 nan 8.150 nan 0.000 0.442 420 A N -1.245 121.634 122.820 0.099 0.000 2.070 420 A HA -0.113 4.209 4.320 0.002 0.000 0.220 420 A C 1.802 179.443 177.584 0.095 0.000 1.159 420 A CA 1.540 53.627 52.037 0.085 0.000 0.656 420 A CB -0.287 18.762 19.000 0.081 0.000 0.800 420 A HN 0.619 nan 8.150 nan 0.000 0.453 421 Q N -2.000 117.883 119.800 0.139 0.000 2.175 421 Q HA 0.377 4.718 4.340 0.002 0.000 0.225 421 Q C 0.791 176.892 176.000 0.168 0.000 0.837 421 Q CA 0.358 56.262 55.803 0.168 0.000 1.032 421 Q CB 0.621 29.531 28.738 0.287 0.000 1.137 421 Q HN 0.770 nan 8.270 nan 0.000 0.483 422 G N -0.147 108.728 108.800 0.126 0.000 2.176 422 G HA2 -0.261 3.701 3.960 0.002 0.000 0.232 422 G HA3 -0.261 3.701 3.960 0.002 0.000 0.232 422 G C 0.245 175.212 174.900 0.112 0.000 0.986 422 G CA -0.126 45.033 45.100 0.099 0.000 0.643 422 G HN 0.502 nan 8.290 nan 0.000 0.522 423 A N -0.104 122.801 122.820 0.143 0.000 2.351 423 A HA 0.767 5.088 4.320 0.002 0.000 0.257 423 A C 0.600 178.223 177.584 0.065 0.000 1.087 423 A CA 0.412 52.522 52.037 0.121 0.000 0.798 423 A CB 0.411 19.475 19.000 0.105 0.000 1.033 423 A HN 0.838 nan 8.150 nan 0.000 0.488 424 R N 1.475 122.011 120.500 0.061 0.000 2.221 424 R HA 0.501 4.843 4.340 0.002 0.000 0.327 424 R C -1.398 174.884 176.300 -0.029 0.000 1.033 424 R CA -0.087 56.013 56.100 -0.001 0.000 0.887 424 R CB 0.449 30.776 30.300 0.045 0.000 1.057 424 R HN 0.455 nan 8.270 nan 0.000 0.455 425 V N 5.676 125.498 119.914 -0.154 0.000 2.555 425 V HA 0.414 4.536 4.120 0.002 0.000 0.302 425 V C -1.085 174.800 176.094 -0.349 0.000 1.038 425 V CA -0.781 61.439 62.300 -0.133 0.000 0.887 425 V CB 1.526 33.337 31.823 -0.021 0.000 0.991 425 V HN 0.663 nan 8.190 nan 0.000 0.434 426 Y N 2.140 122.382 120.300 -0.095 0.000 2.350 426 Y HA 0.776 5.326 4.550 0.001 0.000 0.338 426 Y C 0.327 176.298 175.900 0.118 0.000 0.961 426 Y CA -0.503 57.547 58.100 -0.083 0.000 1.100 426 Y CB 2.155 40.197 38.460 -0.698 0.000 1.179 426 Y HN 0.773 nan 8.280 nan 0.000 0.454 427 A N 3.352 126.515 122.820 0.573 0.000 2.356 427 A HA 0.875 5.196 4.320 0.002 0.000 0.323 427 A C -1.750 176.193 177.584 0.599 0.000 1.119 427 A CA -0.671 51.586 52.037 0.367 0.000 0.790 427 A CB 0.933 19.988 19.000 0.092 0.000 1.273 427 A HN 0.741 nan 8.150 nan 0.000 0.452 428 Y N -0.655 119.876 120.300 0.384 0.000 2.588 428 Y HA 0.781 5.331 4.550 0.000 0.000 0.343 428 Y C -1.155 174.905 175.900 0.266 0.000 1.065 428 Y CA -1.685 56.594 58.100 0.299 0.000 1.038 428 Y CB 1.277 39.917 38.460 0.299 0.000 1.297 428 Y HN 0.693 nan 8.280 nan 0.000 0.467 429 I N 3.316 124.191 120.570 0.507 0.000 2.436 429 I HA 0.482 4.654 4.170 0.002 0.000 0.289 429 I C -1.802 174.648 176.117 0.556 0.000 1.010 429 I CA -1.024 60.543 61.300 0.446 0.000 1.098 429 I CB 1.025 39.206 38.000 0.301 0.000 1.266 429 I HN 0.725 nan 8.210 nan 0.000 0.434 430 F N 7.331 127.567 119.950 0.477 0.000 2.411 430 F HA 0.415 4.944 4.527 0.003 0.000 0.355 430 F C 0.438 176.390 175.800 0.254 0.000 1.117 430 F CA 0.080 58.296 58.000 0.360 0.000 1.139 430 F CB 0.925 40.145 39.000 0.367 0.000 1.120 430 F HN 0.561 nan 8.300 nan 0.000 0.493 431 E N 3.285 123.318 120.200 -0.278 0.000 2.714 431 E HA -0.004 4.348 4.350 0.002 0.000 0.219 431 E C -0.956 175.506 176.600 -0.231 0.000 0.979 431 E CA -0.194 56.138 56.400 -0.113 0.000 1.092 431 E CB 0.282 29.955 29.700 -0.045 0.000 1.049 431 E HN 0.573 nan 8.360 nan 0.000 0.487 432 H N 1.203 119.875 119.070 -0.665 0.000 2.488 432 H HA 0.280 4.837 4.556 0.001 0.000 0.322 432 H C -0.457 174.830 175.328 -0.069 0.000 1.078 432 H CA -0.604 55.158 56.048 -0.476 0.000 1.260 432 H CB 0.689 29.952 29.762 -0.832 0.000 1.425 432 H HN -0.141 nan 8.280 nan 0.000 0.471 433 R N 4.264 124.398 120.500 -0.610 0.000 2.202 433 R HA 0.491 4.832 4.340 0.002 0.000 0.334 433 R C -0.574 175.466 176.300 -0.433 0.000 1.036 433 R CA -0.607 55.311 56.100 -0.303 0.000 0.878 433 R CB 0.345 30.553 30.300 -0.154 0.000 1.067 433 R HN 0.830 nan 8.270 nan 0.000 0.457 434 A N 3.124 126.005 122.820 0.101 0.000 2.565 434 A HA -0.030 4.292 4.320 0.002 0.000 0.237 434 A C 1.347 179.024 177.584 0.154 0.000 1.053 434 A CA 0.632 52.913 52.037 0.407 0.000 0.755 434 A CB 0.247 19.595 19.000 0.581 0.000 0.980 434 A HN 1.020 nan 8.150 nan 0.000 0.506 435 S N 1.362 117.185 115.700 0.204 0.000 2.469 435 S HA -0.144 4.328 4.470 0.002 0.000 0.238 435 S C 1.234 175.820 174.600 -0.023 0.000 0.998 435 S CA 1.550 59.796 58.200 0.076 0.000 0.957 435 S CB -0.717 62.547 63.200 0.108 0.000 0.764 435 S HN 1.316 nan 8.310 nan 0.000 0.514 436 T N -1.127 113.377 114.554 -0.083 0.000 3.145 436 T HA 0.411 4.763 4.350 0.002 0.000 0.255 436 T C 0.205 174.831 174.700 -0.124 0.000 1.039 436 T CA -0.626 61.360 62.100 -0.190 0.000 0.928 436 T CB -0.367 68.231 68.868 -0.451 0.000 1.029 436 T HN 0.210 nan 8.240 nan 0.000 0.554 437 L N 3.878 125.072 121.223 -0.048 0.000 2.453 437 L HA 0.310 4.651 4.340 0.002 0.000 0.272 437 L C 1.593 178.411 176.870 -0.086 0.000 1.182 437 L CA 0.740 55.550 54.840 -0.050 0.000 0.858 437 L CB 1.006 43.056 42.059 -0.016 0.000 1.120 437 L HN 0.446 nan 8.230 nan 0.000 0.474 438 T N -0.785 113.670 114.554 -0.165 0.000 3.022 438 T HA 0.109 4.460 4.350 0.002 0.000 0.250 438 T C 0.386 175.053 174.700 -0.055 0.000 1.060 438 T CA -0.452 61.551 62.100 -0.160 0.000 1.013 438 T CB -0.287 68.380 68.868 -0.336 0.000 0.982 438 T HN 0.385 nan 8.240 nan 0.000 0.508 439 W N 3.372 124.688 121.300 0.026 0.000 2.126 439 W HA 0.422 5.083 4.660 0.003 0.000 0.346 439 W C -1.996 174.447 176.519 -0.126 0.000 1.279 439 W CA -2.209 55.126 57.345 -0.017 0.000 1.259 439 W CB 0.185 29.574 29.460 -0.118 0.000 1.133 439 W HN -0.023 nan 8.180 nan 0.000 0.592 440 P HA 0.044 nan 4.420 nan 0.000 0.274 440 P C 0.512 177.735 177.300 -0.128 0.000 1.246 440 P CA -0.064 63.012 63.100 -0.040 0.000 0.795 440 P CB 0.941 32.626 31.700 -0.025 0.000 1.006 441 L N 0.118 121.327 121.223 -0.023 0.000 2.131 441 L HA -0.123 4.219 4.340 0.002 0.000 0.210 441 L C 2.605 179.484 176.870 0.016 0.000 1.092 441 L CA 1.392 56.234 54.840 0.003 0.000 0.759 441 L CB -0.847 41.249 42.059 0.061 0.000 0.903 441 L HN 0.608 nan 8.230 nan 0.000 0.435 442 W N -0.154 121.191 121.300 0.075 0.000 2.425 442 W HA -0.155 4.506 4.660 0.001 0.000 0.277 442 W C 1.764 178.344 176.519 0.103 0.000 1.231 442 W CA 0.502 57.894 57.345 0.078 0.000 1.248 442 W CB -0.836 28.669 29.460 0.074 0.000 1.117 442 W HN 0.162 nan 8.180 nan 0.000 0.568 443 M N 1.492 120.640 119.600 -0.754 0.000 2.632 443 M HA 0.089 4.570 4.480 0.002 0.000 0.256 443 M C 1.770 177.965 176.300 -0.176 0.000 1.080 443 M CA 1.602 56.510 55.300 -0.654 0.000 1.084 443 M CB -0.919 31.206 32.600 -0.792 0.000 1.439 443 M HN 0.223 nan 8.290 nan 0.000 0.509 444 G N 0.663 109.422 108.800 -0.068 0.000 2.561 444 G HA2 -0.289 3.673 3.960 0.002 0.000 0.289 444 G HA3 -0.289 3.673 3.960 0.002 0.000 0.289 444 G C -0.158 174.757 174.900 0.025 0.000 1.169 444 G CA -0.179 44.934 45.100 0.022 0.000 0.980 444 G HN 0.238 nan 8.290 nan 0.000 0.550 445 V N 3.773 123.743 119.914 0.093 0.000 2.277 445 V HA 0.486 4.608 4.120 0.002 0.000 0.269 445 V C -1.847 174.371 176.094 0.206 0.000 1.036 445 V CA -0.737 61.663 62.300 0.166 0.000 0.821 445 V CB 1.226 33.196 31.823 0.244 0.000 1.052 445 V HN 0.533 nan 8.190 nan 0.000 0.462 446 P HA 0.254 nan 4.420 nan 0.000 0.278 446 P C -0.367 177.120 177.300 0.311 0.000 1.266 446 P CA -0.657 62.542 63.100 0.165 0.000 0.807 446 P CB 0.457 32.126 31.700 -0.052 0.000 1.094 447 H N 0.395 119.537 119.070 0.119 0.000 3.094 447 H HA 0.240 4.797 4.556 0.002 0.000 0.320 447 H C 1.519 176.780 175.328 -0.113 0.000 1.000 447 H CA 2.368 58.438 56.048 0.038 0.000 1.413 447 H CB -0.598 29.172 29.762 0.013 0.000 1.405 447 H HN 0.752 nan 8.280 nan 0.000 0.586 448 G N 3.341 111.867 108.800 -0.457 0.000 2.217 448 G HA2 -0.327 3.634 3.960 0.002 0.000 0.246 448 G HA3 -0.327 3.634 3.960 0.002 0.000 0.246 448 G C 0.542 175.301 174.900 -0.235 0.000 0.990 448 G CA 0.432 45.261 45.100 -0.452 0.000 0.627 448 G HN 0.651 nan 8.290 nan 0.000 0.522 449 Y N 1.480 121.836 120.300 0.093 0.000 2.470 449 Y HA 0.259 4.809 4.550 0.001 0.000 0.284 449 Y C 2.281 178.258 175.900 0.128 0.000 1.188 449 Y CA 0.853 59.071 58.100 0.198 0.000 1.269 449 Y CB 0.412 39.034 38.460 0.271 0.000 1.094 449 Y HN 0.499 nan 8.280 nan 0.000 0.518 450 E N 0.263 120.385 120.200 -0.130 0.000 2.276 450 E HA -0.060 4.291 4.350 0.002 0.000 0.193 450 E C 1.645 178.115 176.600 -0.216 0.000 0.983 450 E CA 0.681 56.688 56.400 -0.654 0.000 0.861 450 E CB -0.424 28.521 29.700 -1.259 0.000 0.817 450 E HN 0.531 nan 8.360 nan 0.000 0.485 451 I N 2.902 123.430 120.570 -0.069 0.000 2.151 451 I HA -0.314 3.858 4.170 0.002 0.000 0.243 451 I C 2.754 178.850 176.117 -0.035 0.000 1.080 451 I CA 2.206 63.513 61.300 0.011 0.000 1.339 451 I CB -0.569 37.486 38.000 0.091 0.000 1.039 451 I HN 0.243 nan 8.210 nan 0.000 0.409 452 E N 1.138 121.256 120.200 -0.136 0.000 2.267 452 E HA -0.231 4.121 4.350 0.002 0.000 0.197 452 E C 1.982 178.324 176.600 -0.429 0.000 0.998 452 E CA 1.465 57.687 56.400 -0.297 0.000 0.830 452 E CB -0.452 29.055 29.700 -0.321 0.000 0.751 452 E HN 0.482 nan 8.360 nan 0.000 0.491 453 F N 1.147 120.979 119.950 -0.197 0.000 2.270 453 F HA 0.024 4.554 4.527 0.005 0.000 0.295 453 F C 2.326 177.896 175.800 -0.384 0.000 1.087 453 F CA 0.335 58.168 58.000 -0.279 0.000 1.365 453 F CB -0.052 38.854 39.000 -0.156 0.000 1.056 453 F HN -0.035 nan 8.300 nan 0.000 0.506 454 I N -0.719 119.696 120.570 -0.258 0.000 2.286 454 I HA -0.280 3.891 4.170 0.002 0.000 0.248 454 I C 1.954 177.836 176.117 -0.392 0.000 1.115 454 I CA 1.747 62.735 61.300 -0.519 0.000 1.392 454 I CB -1.328 36.282 38.000 -0.650 0.000 1.065 454 I HN 0.097 nan 8.210 nan 0.000 0.418 455 F N 0.904 120.665 119.950 -0.315 0.000 2.780 455 F HA 0.240 4.768 4.527 0.002 0.000 0.299 455 F C 1.839 177.499 175.800 -0.233 0.000 1.146 455 F CA 0.716 58.574 58.000 -0.236 0.000 1.428 455 F CB -0.320 38.525 39.000 -0.258 0.000 1.115 455 F HN 0.278 nan 8.300 nan 0.000 0.583 456 G N 0.238 108.889 108.800 -0.249 0.000 2.160 456 G HA2 -0.296 3.665 3.960 0.002 0.000 0.244 456 G HA3 -0.296 3.665 3.960 0.002 0.000 0.244 456 G C 0.940 175.274 174.900 -0.944 0.000 1.022 456 G CA 0.294 45.122 45.100 -0.453 0.000 0.741 456 G HN 0.285 nan 8.290 nan 0.000 0.508 457 L N 0.268 120.974 121.223 -0.860 0.000 2.081 457 L HA 0.011 4.353 4.340 0.002 0.000 0.212 457 L C 0.480 176.787 176.870 -0.938 0.000 1.080 457 L CA 2.700 56.960 54.840 -0.967 0.000 0.754 457 L CB -1.047 40.680 42.059 -0.552 0.000 0.893 457 L HN 0.223 nan 8.230 nan 0.000 0.433 458 P HA -0.160 nan 4.420 nan 0.000 0.222 458 P C 1.566 178.603 177.300 -0.439 0.000 1.142 458 P CA 0.853 63.382 63.100 -0.952 0.000 0.788 458 P CB 0.041 31.234 31.700 -0.845 0.000 0.767 459 L N -1.200 119.714 121.223 -0.515 0.000 2.376 459 L HA -0.020 4.321 4.340 0.002 0.000 0.219 459 L C 0.899 177.664 176.870 -0.176 0.000 1.133 459 L CA 1.146 55.805 54.840 -0.301 0.000 0.816 459 L CB -1.282 40.610 42.059 -0.278 0.000 0.933 459 L HN -0.021 nan 8.230 nan 0.000 0.449 460 D N -0.182 120.074 120.400 -0.240 0.000 2.336 460 D HA 0.095 4.736 4.640 0.002 0.000 0.249 460 D C -1.641 174.663 176.300 0.005 0.000 1.213 460 D CA -2.023 51.966 54.000 -0.019 0.000 0.870 460 D CB 1.683 42.510 40.800 0.044 0.000 1.076 460 D HN -0.025 nan 8.370 nan 0.000 0.483 461 P HA -0.136 nan 4.420 nan 0.000 0.217 461 P C 1.340 178.654 177.300 0.023 0.000 1.150 461 P CA 0.966 64.080 63.100 0.024 0.000 0.832 461 P CB 0.030 31.741 31.700 0.019 0.000 0.787 462 S N -0.654 115.058 115.700 0.019 0.000 2.500 462 S HA -0.083 4.388 4.470 0.002 0.000 0.239 462 S C 1.704 176.299 174.600 -0.009 0.000 0.989 462 S CA 0.793 58.995 58.200 0.002 0.000 0.951 462 S CB -1.484 61.716 63.200 0.001 0.000 0.759 462 S HN 0.103 nan 8.310 nan 0.000 0.523 463 L N 0.527 121.761 121.223 0.018 0.000 2.554 463 L HA 0.162 4.504 4.340 0.002 0.000 0.226 463 L C 0.492 177.305 176.870 -0.096 0.000 1.137 463 L CA 0.122 54.961 54.840 -0.002 0.000 0.863 463 L CB -0.790 41.350 42.059 0.135 0.000 0.985 463 L HN 0.259 nan 8.230 nan 0.000 0.451 464 N N -2.158 116.521 118.700 -0.035 0.000 2.878 464 N HA -0.223 4.518 4.740 0.002 0.000 0.247 464 N C -0.199 175.252 175.510 -0.099 0.000 1.021 464 N CA 0.812 53.815 53.050 -0.078 0.000 0.873 464 N CB -1.681 36.730 38.487 -0.127 0.000 1.128 464 N HN 0.285 nan 8.380 nan 0.000 0.571 465 Y N 1.188 121.468 120.300 -0.033 0.000 2.385 465 Y HA 0.112 4.663 4.550 0.002 0.000 0.346 465 Y C 2.054 177.971 175.900 0.030 0.000 1.270 465 Y CA 0.666 58.772 58.100 0.009 0.000 1.472 465 Y CB 0.338 38.789 38.460 -0.016 0.000 1.354 465 Y HN 0.100 nan 8.280 nan 0.000 0.611 466 T N -3.029 111.673 114.554 0.246 0.000 2.816 466 T HA 0.090 4.442 4.350 0.002 0.000 0.282 466 T C 1.067 175.847 174.700 0.132 0.000 0.993 466 T CA -0.357 61.833 62.100 0.150 0.000 0.994 466 T CB 0.942 69.889 68.868 0.132 0.000 1.025 466 T HN 0.681 nan 8.240 nan 0.000 0.529 467 T N 0.940 115.542 114.554 0.080 0.000 2.821 467 T HA -0.055 4.297 4.350 0.002 0.000 0.267 467 T C 1.817 176.550 174.700 0.054 0.000 1.046 467 T CA 1.672 63.805 62.100 0.055 0.000 1.139 467 T CB -0.407 68.482 68.868 0.034 0.000 0.871 467 T HN 0.757 nan 8.240 nan 0.000 0.454 468 E N 1.357 121.586 120.200 0.049 0.000 2.077 468 E HA -0.117 4.235 4.350 0.002 0.000 0.193 468 E C 2.226 178.863 176.600 0.061 0.000 0.989 468 E CA 1.079 57.495 56.400 0.026 0.000 0.800 468 E CB -0.178 29.513 29.700 -0.016 0.000 0.746 468 E HN 0.563 nan 8.360 nan 0.000 0.452 469 E N 0.300 120.575 120.200 0.125 0.000 2.110 469 E HA -0.167 4.184 4.350 0.002 0.000 0.193 469 E C 2.134 178.864 176.600 0.216 0.000 0.988 469 E CA 0.479 57.042 56.400 0.273 0.000 0.804 469 E CB -0.020 29.976 29.700 0.492 0.000 0.745 469 E HN 0.064 nan 8.360 nan 0.000 0.458 470 R N 0.795 121.354 120.500 0.099 0.000 2.081 470 R HA -0.133 4.208 4.340 0.002 0.000 0.235 470 R C 2.189 178.495 176.300 0.010 0.000 1.131 470 R CA 1.137 57.240 56.100 0.005 0.000 0.960 470 R CB -0.258 30.041 30.300 -0.002 0.000 0.856 470 R HN 0.220 nan 8.270 nan 0.000 0.436 471 I N -0.020 120.576 120.570 0.045 0.000 2.353 471 I HA -0.247 3.924 4.170 0.002 0.000 0.248 471 I C 2.197 178.356 176.117 0.071 0.000 1.119 471 I CA 0.646 61.967 61.300 0.035 0.000 1.417 471 I CB -0.344 37.675 38.000 0.032 0.000 1.078 471 I HN 0.075 nan 8.210 nan 0.000 0.421 472 F N 2.123 122.031 119.950 -0.071 0.000 2.069 472 F HA -0.281 4.246 4.527 0.001 0.000 0.298 472 F C 2.480 178.261 175.800 -0.032 0.000 1.113 472 F CA 1.430 59.377 58.000 -0.089 0.000 1.214 472 F CB -0.729 38.155 39.000 -0.193 0.000 0.978 472 F HN 0.032 nan 8.300 nan 0.000 0.474 473 A N -0.042 122.730 122.820 -0.079 0.000 1.883 473 A HA -0.278 4.043 4.320 0.002 0.000 0.217 473 A C 2.151 179.599 177.584 -0.227 0.000 1.186 473 A CA 1.965 53.886 52.037 -0.193 0.000 0.624 473 A CB -1.044 17.858 19.000 -0.164 0.000 0.822 473 A HN 0.611 nan 8.150 nan 0.000 0.444 474 Q N -0.844 118.864 119.800 -0.153 0.000 2.077 474 Q HA -0.233 4.109 4.340 0.002 0.000 0.206 474 Q C 2.403 178.295 176.000 -0.179 0.000 0.989 474 Q CA 1.991 57.712 55.803 -0.136 0.000 0.853 474 Q CB -0.210 28.477 28.738 -0.085 0.000 0.907 474 Q HN 0.633 nan 8.270 nan 0.000 0.418 475 R N 0.093 120.472 120.500 -0.202 0.000 2.083 475 R HA -0.137 4.204 4.340 0.002 0.000 0.237 475 R C 2.305 178.339 176.300 -0.445 0.000 1.137 475 R CA 1.320 57.221 56.100 -0.332 0.000 0.951 475 R CB -0.318 29.844 30.300 -0.229 0.000 0.851 475 R HN 0.255 nan 8.270 nan 0.000 0.434 476 L N -0.121 120.901 121.223 -0.335 0.000 2.093 476 L HA -0.163 4.179 4.340 0.002 0.000 0.208 476 L C 2.492 179.290 176.870 -0.120 0.000 1.085 476 L CA 1.233 55.958 54.840 -0.192 0.000 0.755 476 L CB -0.337 41.445 42.059 -0.462 0.000 0.904 476 L HN 0.232 nan 8.230 nan 0.000 0.435 477 M N -0.705 118.775 119.600 -0.200 0.000 2.149 477 M HA -0.192 4.289 4.480 0.002 0.000 0.261 477 M C 2.324 178.611 176.300 -0.021 0.000 1.064 477 M CA 1.565 56.788 55.300 -0.129 0.000 1.102 477 M CB -0.279 32.236 32.600 -0.142 0.000 1.369 477 M HN 0.056 nan 8.290 nan 0.000 0.408 478 K N -0.151 120.202 120.400 -0.078 0.000 2.026 478 K HA -0.138 4.183 4.320 0.002 0.000 0.208 478 K C 1.899 178.545 176.600 0.077 0.000 1.048 478 K CA 1.692 57.947 56.287 -0.054 0.000 0.929 478 K CB -0.574 31.831 32.500 -0.160 0.000 0.713 478 K HN 0.325 nan 8.250 nan 0.000 0.439 479 Y N -0.185 120.235 120.300 0.201 0.000 2.114 479 Y HA -0.244 4.309 4.550 0.005 0.000 0.282 479 Y C 2.457 178.498 175.900 0.235 0.000 1.165 479 Y CA 0.800 59.058 58.100 0.263 0.000 1.148 479 Y CB -0.821 37.947 38.460 0.512 0.000 0.972 479 Y HN 0.238 nan 8.280 nan 0.000 0.504 480 W N 0.440 121.809 121.300 0.115 0.000 2.381 480 W HA -0.199 4.461 4.660 0.001 0.000 0.301 480 W C 2.484 178.998 176.519 -0.010 0.000 1.205 480 W CA 2.100 59.456 57.345 0.019 0.000 1.285 480 W CB -0.533 28.866 29.460 -0.101 0.000 1.133 480 W HN 0.230 nan 8.180 nan 0.000 0.521 481 T N -2.081 112.570 114.554 0.162 0.000 2.904 481 T HA -0.135 4.216 4.350 0.002 0.000 0.267 481 T C 1.421 176.138 174.700 0.028 0.000 1.059 481 T CA 1.141 63.268 62.100 0.045 0.000 1.137 481 T CB -0.602 68.273 68.868 0.011 0.000 0.879 481 T HN -0.093 nan 8.240 nan 0.000 0.467 482 N N 1.139 119.875 118.700 0.060 0.000 2.069 482 N HA -0.047 4.694 4.740 0.002 0.000 0.191 482 N C 1.374 176.870 175.510 -0.023 0.000 1.031 482 N CA 1.193 54.259 53.050 0.026 0.000 0.852 482 N CB -0.768 37.756 38.487 0.062 0.000 1.018 482 N HN 0.469 nan 8.380 nan 0.000 0.423 483 F N 1.656 121.515 119.950 -0.152 0.000 2.095 483 F HA -0.131 4.398 4.527 0.003 0.000 0.298 483 F C 2.206 177.917 175.800 -0.149 0.000 1.104 483 F CA 1.509 59.366 58.000 -0.237 0.000 1.232 483 F CB -0.607 38.158 39.000 -0.391 0.000 0.987 483 F HN 0.051 nan 8.300 nan 0.000 0.475 484 A N 0.361 123.046 122.820 -0.225 0.000 1.908 484 A HA -0.225 4.096 4.320 0.002 0.000 0.218 484 A C 2.428 179.876 177.584 -0.228 0.000 1.181 484 A CA 1.861 53.755 52.037 -0.239 0.000 0.627 484 A CB -0.860 18.082 19.000 -0.096 0.000 0.818 484 A HN 0.482 nan 8.150 nan 0.000 0.445 485 R N -1.068 119.335 120.500 -0.162 0.000 2.073 485 R HA -0.093 4.248 4.340 0.002 0.000 0.229 485 R C 1.858 178.068 176.300 -0.149 0.000 1.120 485 R CA 1.942 57.971 56.100 -0.119 0.000 0.967 485 R CB -0.063 30.196 30.300 -0.068 0.000 0.862 485 R HN 0.679 nan 8.270 nan 0.000 0.436 486 T N -5.819 108.621 114.554 -0.191 0.000 3.041 486 T HA 0.240 4.591 4.350 0.002 0.000 0.276 486 T C 0.958 175.536 174.700 -0.203 0.000 0.948 486 T CA 0.430 62.437 62.100 -0.155 0.000 0.885 486 T CB 1.264 70.078 68.868 -0.091 0.000 1.175 486 T HN 0.320 nan 8.240 nan 0.000 0.529 487 G N 1.307 109.861 108.800 -0.410 0.000 2.143 487 G HA2 -0.157 3.804 3.960 0.002 0.000 0.249 487 G HA3 -0.157 3.804 3.960 0.002 0.000 0.249 487 G C -0.373 174.486 174.900 -0.069 0.000 0.981 487 G CA 0.189 45.022 45.100 -0.445 0.000 0.665 487 G HN 0.817 nan 8.290 nan 0.000 0.528 488 D N -0.736 119.598 120.400 -0.110 0.000 2.736 488 D HA 0.477 5.118 4.640 0.002 0.000 0.243 488 D C -1.509 174.634 176.300 -0.262 0.000 1.304 488 D CA -1.748 52.139 54.000 -0.190 0.000 0.934 488 D CB 1.921 42.693 40.800 -0.046 0.000 1.382 488 D HN -0.026 nan 8.370 nan 0.000 0.571 489 P HA -0.027 nan 4.420 nan 0.000 0.226 489 P C 0.047 177.360 177.300 0.021 0.000 1.153 489 P CA 0.300 63.209 63.100 -0.319 0.000 0.777 489 P CB 0.258 31.443 31.700 -0.859 0.000 0.794 490 N N 1.318 119.997 118.700 -0.034 0.000 2.525 490 N HA 0.033 4.774 4.740 0.002 0.000 0.271 490 N C -0.067 175.511 175.510 0.114 0.000 1.194 490 N CA 0.273 53.402 53.050 0.131 0.000 0.964 490 N CB 0.414 38.971 38.487 0.116 0.000 1.126 490 N HN -0.009 nan 8.380 nan 0.000 0.452 491 D N 1.766 122.250 120.400 0.140 0.000 2.295 491 D HA 0.309 4.951 4.640 0.002 0.000 0.248 491 D C -1.750 174.593 176.300 0.073 0.000 1.154 491 D CA -1.180 52.873 54.000 0.088 0.000 0.857 491 D CB 0.482 41.330 40.800 0.079 0.000 1.117 491 D HN 0.264 nan 8.370 nan 0.000 0.468 498 P HA 0.302 nan 4.420 nan 0.000 0.269 498 P C -0.739 176.642 177.300 0.135 0.000 1.209 498 P CA -0.334 62.822 63.100 0.094 0.000 0.776 498 P CB 0.342 32.082 31.700 0.067 0.000 0.876 499 Q N 0.525 120.406 119.800 0.135 0.000 2.227 499 Q HA 0.223 4.564 4.340 0.002 0.000 0.245 499 Q C -0.837 175.311 176.000 0.247 0.000 0.926 499 Q CA -0.101 55.816 55.803 0.190 0.000 0.895 499 Q CB 1.193 30.031 28.738 0.166 0.000 1.230 499 Q HN 0.567 nan 8.270 nan 0.000 0.450 500 W N 5.555 126.902 121.300 0.077 0.000 2.288 500 W HA 0.343 5.004 4.660 0.002 0.000 0.325 500 W C -2.494 174.157 176.519 0.220 0.000 1.019 500 W CA -2.612 54.789 57.345 0.094 0.000 1.403 500 W CB 0.508 29.957 29.460 -0.018 0.000 1.226 500 W HN 0.365 nan 8.180 nan 0.000 0.391 501 P HA 0.242 nan 4.420 nan 0.000 0.277 501 P C -2.585 174.924 177.300 0.347 0.000 1.240 501 P CA -1.604 61.709 63.100 0.354 0.000 0.798 501 P CB 0.525 32.347 31.700 0.203 0.000 0.979 502 P HA 0.032 nan 4.420 nan 0.000 0.266 502 P C -0.538 176.751 177.300 -0.019 0.000 1.195 502 P CA 0.210 63.125 63.100 -0.308 0.000 0.768 502 P CB -0.003 31.504 31.700 -0.321 0.000 0.838 503 Y N 3.295 123.537 120.300 -0.096 0.000 2.442 503 Y HA 0.285 4.841 4.550 0.010 0.000 0.330 503 Y C 0.507 176.394 175.900 -0.022 0.000 1.129 503 Y CA 0.795 58.901 58.100 0.011 0.000 1.365 503 Y CB 0.229 38.714 38.460 0.040 0.000 1.233 503 Y HN 0.387 nan 8.280 nan 0.000 0.529 504 T N 0.247 114.572 114.554 -0.383 0.000 2.906 504 T HA 0.237 4.588 4.350 0.002 0.000 0.295 504 T C 0.927 175.428 174.700 -0.332 0.000 1.061 504 T CA -0.229 61.739 62.100 -0.220 0.000 1.000 504 T CB 1.297 70.088 68.868 -0.128 0.000 1.103 504 T HN 0.657 nan 8.240 nan 0.000 0.486 505 T N -0.314 114.172 114.554 -0.114 0.000 2.759 505 T HA -0.080 4.271 4.350 0.002 0.000 0.269 505 T C 2.218 176.865 174.700 -0.089 0.000 1.042 505 T CA 1.143 63.203 62.100 -0.066 0.000 1.140 505 T CB -0.829 68.047 68.868 0.014 0.000 0.864 505 T HN 0.871 nan 8.240 nan 0.000 0.455 506 A N 1.695 124.466 122.820 -0.082 0.000 1.854 506 A HA 0.536 4.858 4.320 0.002 0.000 0.214 506 A C 2.687 180.225 177.584 -0.076 0.000 1.192 506 A CA 1.533 53.536 52.037 -0.057 0.000 0.611 506 A CB -1.136 17.842 19.000 -0.036 0.000 0.832 506 A HN 0.733 nan 8.150 nan 0.000 0.442 507 A N -2.179 120.572 122.820 -0.116 0.000 2.115 507 A HA 0.277 4.598 4.320 0.002 0.000 0.211 507 A C 0.932 178.428 177.584 -0.146 0.000 1.169 507 A CA 0.828 52.805 52.037 -0.099 0.000 0.787 507 A CB -0.229 18.727 19.000 -0.073 0.000 0.858 507 A HN 0.534 nan 8.150 nan 0.000 0.474 508 Q N -0.147 119.442 119.800 -0.350 0.000 2.451 508 Q HA -0.214 4.128 4.340 0.002 0.000 0.305 508 Q C -0.734 175.193 176.000 -0.122 0.000 1.345 508 Q CA 0.647 56.121 55.803 -0.547 0.000 0.854 508 Q CB -1.670 26.976 28.738 -0.153 0.000 1.162 508 Q HN 0.827 nan 8.270 nan 0.000 0.440 509 Q N 0.452 120.200 119.800 -0.087 0.000 2.261 509 Q HA 0.533 4.875 4.340 0.002 0.000 0.252 509 Q C -0.465 175.788 176.000 0.422 0.000 0.915 509 Q CA -0.228 55.653 55.803 0.130 0.000 0.915 509 Q CB 0.749 29.523 28.738 0.061 0.000 1.204 509 Q HN 0.356 nan 8.270 nan 0.000 0.421 510 Y N -1.639 118.789 120.300 0.214 0.000 2.625 510 Y HA 0.728 5.287 4.550 0.014 0.000 0.338 510 Y C -0.997 174.917 175.900 0.024 0.000 1.123 510 Y CA -1.538 56.691 58.100 0.214 0.000 1.046 510 Y CB 0.474 39.066 38.460 0.220 0.000 1.299 510 Y HN 0.360 nan 8.280 nan 0.000 0.464 511 V N -0.484 119.368 119.914 -0.104 0.000 2.881 511 V HA 0.833 4.954 4.120 0.002 0.000 0.316 511 V C -0.187 175.846 176.094 -0.102 0.000 1.070 511 V CA -0.623 61.472 62.300 -0.341 0.000 0.976 511 V CB 1.347 32.715 31.823 -0.758 0.000 1.038 511 V HN 1.151 nan 8.190 nan 0.000 0.446 512 S N 3.186 118.818 115.700 -0.114 0.000 2.452 512 S HA 0.652 5.123 4.470 0.002 0.000 0.284 512 S C -0.429 174.148 174.600 -0.039 0.000 1.171 512 S CA -0.649 57.551 58.200 0.001 0.000 1.064 512 S CB 0.330 63.521 63.200 -0.015 0.000 0.967 512 S HN 0.728 nan 8.310 nan 0.000 0.484 513 L N 4.540 125.790 121.223 0.044 0.000 2.259 513 L HA 0.480 4.821 4.340 0.002 0.000 0.288 513 L C -0.031 176.788 176.870 -0.084 0.000 1.051 513 L CA -0.400 54.501 54.840 0.102 0.000 0.824 513 L CB -0.401 41.812 42.059 0.257 0.000 1.206 513 L HN 0.905 nan 8.230 nan 0.000 0.429 514 N N 2.129 120.710 118.700 -0.199 0.000 3.344 514 N HA 0.325 5.066 4.740 0.002 0.000 0.296 514 N C 0.268 175.258 175.510 -0.867 0.000 1.571 514 N CA -0.981 51.655 53.050 -0.690 0.000 0.844 514 N CB 0.568 38.819 38.487 -0.394 0.000 1.718 514 N HN 0.189 nan 8.380 nan 0.000 0.589 515 L N -0.970 119.740 121.223 -0.855 0.000 2.191 515 L HA 0.026 4.368 4.340 0.002 0.000 0.212 515 L C 0.591 177.299 176.870 -0.270 0.000 1.103 515 L CA 1.066 55.541 54.840 -0.609 0.000 0.769 515 L CB -0.601 41.187 42.059 -0.452 0.000 0.908 515 L HN 0.410 nan 8.230 nan 0.000 0.438 516 K N -0.033 120.244 120.400 -0.205 0.000 2.107 516 K HA 0.274 4.596 4.320 0.002 0.000 0.251 516 K C -2.187 174.385 176.600 -0.047 0.000 1.012 516 K CA -1.793 54.434 56.287 -0.100 0.000 0.920 516 K CB 0.038 32.487 32.500 -0.085 0.000 1.033 516 K HN -0.206 nan 8.250 nan 0.000 0.478 517 P HA 0.023 nan 4.420 nan 0.000 0.272 517 P C -0.471 176.840 177.300 0.018 0.000 1.230 517 P CA -0.302 62.816 63.100 0.031 0.000 0.788 517 P CB 0.421 32.139 31.700 0.030 0.000 0.949 518 L N 1.527 122.778 121.223 0.046 0.000 2.640 518 L HA -0.089 4.252 4.340 0.002 0.000 0.280 518 L C 1.084 177.923 176.870 -0.052 0.000 1.229 518 L CA 0.935 55.761 54.840 -0.024 0.000 0.919 518 L CB -0.287 41.755 42.059 -0.029 0.000 1.168 518 L HN 0.522 nan 8.230 nan 0.000 0.496 519 E N 3.527 123.672 120.200 -0.093 0.000 2.187 519 E HA 0.399 4.751 4.350 0.002 0.000 0.268 519 E C -1.298 175.209 176.600 -0.155 0.000 0.896 519 E CA -0.796 55.547 56.400 -0.095 0.000 0.766 519 E CB 1.968 31.621 29.700 -0.078 0.000 1.142 519 E HN 0.303 nan 8.360 nan 0.000 0.408 520 V N 4.946 124.777 119.914 -0.138 0.000 2.546 520 V HA 0.407 4.528 4.120 0.002 0.000 0.284 520 V C 0.350 176.295 176.094 -0.248 0.000 1.050 520 V CA -0.143 62.047 62.300 -0.184 0.000 0.981 520 V CB 1.074 32.843 31.823 -0.090 0.000 0.990 520 V HN 0.723 nan 8.190 nan 0.000 0.474 521 R N 3.836 124.059 120.500 -0.462 0.000 2.888 521 R HA 0.738 5.079 4.340 0.002 0.000 0.264 521 R C -1.005 175.048 176.300 -0.411 0.000 1.045 521 R CA -1.077 54.715 56.100 -0.513 0.000 0.962 521 R CB 2.460 32.281 30.300 -0.798 0.000 1.210 521 R HN 0.575 nan 8.270 nan 0.000 0.479 522 R N -0.062 120.372 120.500 -0.109 0.000 2.621 522 R HA 0.491 4.832 4.340 0.002 0.000 0.292 522 R C -0.790 175.680 176.300 0.283 0.000 0.969 522 R CA -0.623 55.532 56.100 0.091 0.000 0.887 522 R CB 2.231 32.553 30.300 0.036 0.000 1.180 522 R HN 0.897 nan 8.270 nan 0.000 0.450 523 G N 2.332 111.346 108.800 0.356 0.000 3.445 523 G HA2 -0.202 3.759 3.960 0.002 0.000 0.680 523 G HA3 -0.202 3.759 3.960 0.002 0.000 0.680 523 G C -1.030 174.070 174.900 0.334 0.000 0.972 523 G CA -0.919 44.361 45.100 0.300 0.000 0.798 523 G HN 0.335 nan 8.290 nan 0.000 0.461 524 L N 4.562 125.896 121.223 0.184 0.000 2.334 524 L HA 0.458 4.799 4.340 0.002 0.000 0.286 524 L C 1.641 178.543 176.870 0.053 0.000 1.108 524 L CA -0.393 54.411 54.840 -0.061 0.000 0.875 524 L CB -0.296 41.669 42.059 -0.156 0.000 1.246 524 L HN 0.704 nan 8.230 nan 0.000 0.439 525 R N 2.950 123.508 120.500 0.096 0.000 3.184 525 R HA -0.280 4.061 4.340 0.002 0.000 0.242 525 R C 1.347 177.745 176.300 0.163 0.000 0.907 525 R CA 0.697 56.885 56.100 0.146 0.000 0.618 525 R CB -2.115 28.284 30.300 0.165 0.000 1.016 525 R HN 0.726 nan 8.270 nan 0.000 0.469 526 A N 0.560 123.473 122.820 0.154 0.000 1.883 526 A HA -0.289 4.032 4.320 0.002 0.000 0.217 526 A C 2.127 179.801 177.584 0.150 0.000 1.186 526 A CA 1.810 53.936 52.037 0.149 0.000 0.624 526 A CB -0.180 18.901 19.000 0.134 0.000 0.822 526 A HN 0.440 nan 8.150 nan 0.000 0.444 527 Q N -0.956 118.931 119.800 0.144 0.000 2.046 527 Q HA -0.069 4.273 4.340 0.002 0.000 0.200 527 Q C 2.204 178.316 176.000 0.186 0.000 0.975 527 Q CA 2.322 58.210 55.803 0.142 0.000 0.836 527 Q CB -0.771 28.035 28.738 0.115 0.000 0.896 527 Q HN 0.589 nan 8.270 nan 0.000 0.428 528 T N -0.745 113.942 114.554 0.223 0.000 2.821 528 T HA -0.118 4.233 4.350 0.002 0.000 0.267 528 T C 1.820 176.729 174.700 0.348 0.000 1.046 528 T CA 1.222 63.474 62.100 0.255 0.000 1.139 528 T CB -0.410 68.663 68.868 0.342 0.000 0.871 528 T HN 0.353 nan 8.240 nan 0.000 0.454 529 c N 1.568 120.367 118.600 0.333 0.000 2.432 529 c HA 0.201 4.772 4.570 0.002 0.000 0.280 529 c C 3.100 177.356 174.090 0.277 0.000 1.353 529 c CA 0.081 56.621 56.329 0.353 0.000 1.766 529 c CB -1.376 41.275 42.510 0.235 0.000 1.924 529 c HN 0.639 nan 8.230 nan 0.000 0.509 530 A N 0.153 123.098 122.820 0.209 0.000 1.933 530 A HA -0.183 4.138 4.320 0.002 0.000 0.218 530 A C 1.863 179.545 177.584 0.163 0.000 1.175 530 A CA 1.573 53.707 52.037 0.162 0.000 0.628 530 A CB -0.777 18.300 19.000 0.129 0.000 0.814 530 A HN 0.565 nan 8.150 nan 0.000 0.444 531 F N -0.717 119.217 119.950 -0.026 0.000 2.069 531 F HA -0.202 4.326 4.527 0.001 0.000 0.298 531 F C 1.970 177.718 175.800 -0.087 0.000 1.113 531 F CA 1.959 59.869 58.000 -0.150 0.000 1.214 531 F CB -0.530 38.138 39.000 -0.554 0.000 0.978 531 F HN 0.374 nan 8.300 nan 0.000 0.474 532 W N 0.571 121.865 121.300 -0.010 0.000 2.381 532 W HA -0.123 4.537 4.660 -0.001 0.000 0.301 532 W C 2.243 178.705 176.519 -0.095 0.000 1.205 532 W CA 1.010 58.290 57.345 -0.108 0.000 1.285 532 W CB -0.593 28.941 29.460 0.124 0.000 1.133 532 W HN -0.013 nan 8.180 nan 0.000 0.521 533 N N -0.312 118.516 118.700 0.214 0.000 2.336 533 N HA 0.008 4.749 4.740 0.002 0.000 0.177 533 N C 1.555 177.099 175.510 0.056 0.000 1.018 533 N CA 1.054 54.178 53.050 0.123 0.000 0.878 533 N CB -0.315 38.246 38.487 0.123 0.000 0.997 533 N HN 0.211 nan 8.380 nan 0.000 0.433 534 R N -1.371 119.163 120.500 0.056 0.000 2.142 534 R HA 0.226 4.567 4.340 0.002 0.000 0.204 534 R C 1.382 177.700 176.300 0.030 0.000 1.059 534 R CA 0.161 56.290 56.100 0.049 0.000 1.055 534 R CB -0.091 30.260 30.300 0.085 0.000 0.976 534 R HN 0.080 nan 8.270 nan 0.000 0.483 535 F N 1.316 121.168 119.950 -0.163 0.000 2.274 535 F HA 0.129 4.658 4.527 0.003 0.000 0.288 535 F C 1.926 177.535 175.800 -0.318 0.000 1.069 535 F CA 0.592 58.463 58.000 -0.216 0.000 1.343 535 F CB -0.144 38.738 39.000 -0.197 0.000 1.089 535 F HN -0.151 nan 8.300 nan 0.000 0.517 536 L N 1.093 121.978 121.223 -0.564 0.000 2.021 536 L HA -0.186 4.155 4.340 0.002 0.000 0.215 536 L C -0.633 176.001 176.870 -0.393 0.000 1.074 536 L CA 2.190 56.673 54.840 -0.595 0.000 0.760 536 L CB -1.789 39.969 42.059 -0.502 0.000 0.889 536 L HN 0.100 nan 8.230 nan 0.000 0.433 537 P HA -0.196 nan 4.420 nan 0.000 0.215 537 P C 1.327 178.491 177.300 -0.227 0.000 1.157 537 P CA 1.634 64.627 63.100 -0.177 0.000 0.874 537 P CB -0.034 31.601 31.700 -0.109 0.000 0.790 538 K N -1.064 119.160 120.400 -0.294 0.000 2.103 538 K HA -0.141 4.180 4.320 0.002 0.000 0.207 538 K C 1.972 178.348 176.600 -0.374 0.000 1.048 538 K CA 1.018 57.126 56.287 -0.299 0.000 0.930 538 K CB -0.801 31.526 32.500 -0.288 0.000 0.716 538 K HN 0.061 nan 8.250 nan 0.000 0.444 539 L N 1.226 122.099 121.223 -0.584 0.000 2.109 539 L HA -0.068 4.274 4.340 0.002 0.000 0.207 539 L C 1.785 178.504 176.870 -0.252 0.000 1.086 539 L CA 1.333 55.888 54.840 -0.476 0.000 0.760 539 L CB -0.232 41.458 42.059 -0.615 0.000 0.910 539 L HN 0.124 nan 8.230 nan 0.000 0.437 540 L N -0.624 120.466 121.223 -0.223 0.000 2.079 540 L HA -0.138 4.204 4.340 0.002 0.000 0.210 540 L C 0.924 177.734 176.870 -0.101 0.000 1.081 540 L CA 1.118 55.879 54.840 -0.132 0.000 0.752 540 L CB -0.576 41.420 42.059 -0.106 0.000 0.896 540 L HN 0.414 nan 8.230 nan 0.000 0.433 541 S N -0.118 115.516 115.700 -0.110 0.000 2.695 541 S HA 0.663 5.134 4.470 0.002 0.000 0.275 541 S C -0.014 174.532 174.600 -0.089 0.000 1.203 541 S CA -0.785 57.365 58.200 -0.084 0.000 1.061 541 S CB 0.968 64.125 63.200 -0.072 0.000 1.152 541 S HN 0.193 nan 8.310 nan 0.000 0.495 542 A N 0.000 122.774 122.820 -0.077 0.000 2.254 542 A HA 0.000 4.321 4.320 0.002 0.000 0.244 542 A CA 0.000 52.002 52.037 -0.058 0.000 0.836 542 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486