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 2ha3_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPPX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.416 56.400 0.026 0.000 0.976 1 E CB 0.000 29.718 29.700 0.031 0.000 0.812 2 G N 0.328 109.140 108.800 0.020 0.000 3.345 2 G HA2 -0.155 3.812 3.960 0.011 0.000 0.199 2 G HA3 -0.155 3.812 3.960 0.011 0.000 0.199 2 G C 0.957 175.866 174.900 0.015 0.000 1.057 2 G CA 0.159 45.268 45.100 0.016 0.000 0.865 2 G HN 0.323 nan 8.290 nan 0.000 0.449 3 R N 1.113 121.622 120.500 0.016 0.000 2.308 3 R HA 0.421 4.768 4.340 0.011 0.000 0.202 3 R C 0.801 177.112 176.300 0.017 0.000 0.898 3 R CA 0.419 56.528 56.100 0.014 0.000 1.046 3 R CB 0.226 30.532 30.300 0.011 0.000 1.026 3 R HN 0.577 nan 8.270 nan 0.000 0.512 4 E N 0.043 120.256 120.200 0.022 0.000 2.292 4 E HA 0.086 4.442 4.350 0.011 0.000 0.258 4 E C -0.736 175.887 176.600 0.037 0.000 1.115 4 E CA -0.781 55.635 56.400 0.027 0.000 0.929 4 E CB 0.457 30.175 29.700 0.030 0.000 1.161 4 E HN -0.097 nan 8.360 nan 0.000 0.453 5 D N 1.822 122.251 120.400 0.048 0.000 2.363 5 D HA -0.005 4.642 4.640 0.011 0.000 0.263 5 D C -1.496 174.847 176.300 0.071 0.000 1.258 5 D CA -1.729 52.314 54.000 0.073 0.000 0.907 5 D CB 0.783 41.648 40.800 0.107 0.000 1.107 5 D HN 0.126 nan 8.370 nan 0.000 0.495 6 P HA -0.115 nan 4.420 nan 0.000 0.226 6 P C 0.571 177.892 177.300 0.034 0.000 1.153 6 P CA 0.821 63.944 63.100 0.037 0.000 0.777 6 P CB 0.331 32.043 31.700 0.019 0.000 0.794 7 Q N -0.664 119.156 119.800 0.033 0.000 2.365 7 Q HA 0.182 4.529 4.340 0.011 0.000 0.203 7 Q C 1.389 177.443 176.000 0.090 0.000 0.929 7 Q CA 0.268 56.060 55.803 -0.019 0.000 0.948 7 Q CB 0.043 28.650 28.738 -0.218 0.000 1.043 7 Q HN 0.360 nan 8.270 nan 0.000 0.505 8 L N 0.310 121.621 121.223 0.147 0.000 2.906 8 L HA 0.286 4.633 4.340 0.011 0.000 0.255 8 L C -0.307 176.737 176.870 0.291 0.000 1.166 8 L CA -0.035 54.931 54.840 0.210 0.000 0.977 8 L CB 0.656 42.777 42.059 0.103 0.000 1.313 8 L HN 0.095 nan 8.230 nan 0.000 0.549 9 L N 0.714 122.055 121.223 0.196 0.000 2.296 9 L HA 0.607 4.953 4.340 0.011 0.000 0.286 9 L C -0.734 176.180 176.870 0.074 0.000 1.023 9 L CA -0.558 54.374 54.840 0.153 0.000 0.812 9 L CB 1.968 44.079 42.059 0.087 0.000 1.223 9 L HN -0.252 nan 8.230 nan 0.000 0.421 10 V N 3.136 123.065 119.914 0.025 0.000 2.888 10 V HA 0.473 4.600 4.120 0.011 0.000 0.309 10 V C -0.501 175.514 176.094 -0.132 0.000 1.114 10 V CA -0.732 61.452 62.300 -0.194 0.000 0.940 10 V CB 2.766 34.225 31.823 -0.606 0.000 1.021 10 V HN 0.750 nan 8.190 nan 0.000 0.426 11 R N 2.662 123.061 120.500 -0.169 0.000 2.407 11 R HA 0.828 5.175 4.340 0.011 0.000 0.303 11 R C -0.756 175.456 176.300 -0.148 0.000 0.981 11 R CA -0.314 55.724 56.100 -0.103 0.000 0.905 11 R CB 1.806 32.048 30.300 -0.096 0.000 1.099 11 R HN 0.708 nan 8.270 nan 0.000 0.459 12 V N 1.770 121.655 119.914 -0.048 0.000 3.204 12 V HA 0.506 4.633 4.120 0.011 0.000 0.316 12 V C 1.134 177.155 176.094 -0.122 0.000 1.160 12 V CA -0.971 61.295 62.300 -0.056 0.000 1.044 12 V CB 1.616 33.545 31.823 0.176 0.000 1.136 12 V HN 0.865 nan 8.190 nan 0.000 0.455 13 R N 1.395 121.808 120.500 -0.144 0.000 2.117 13 R HA -0.029 4.317 4.340 0.011 0.000 0.243 13 R C 1.820 177.988 176.300 -0.220 0.000 1.143 13 R CA 2.493 58.501 56.100 -0.153 0.000 0.968 13 R CB -1.215 29.010 30.300 -0.125 0.000 0.863 13 R HN 1.040 nan 8.270 nan 0.000 0.444 14 G N -1.983 106.642 108.800 -0.292 0.000 2.712 14 G HA2 0.365 4.332 3.960 0.011 0.000 0.212 14 G HA3 0.365 4.332 3.960 0.011 0.000 0.212 14 G C 0.393 174.401 174.900 -1.487 0.000 1.142 14 G CA 0.421 45.079 45.100 -0.737 0.000 0.789 14 G HN 0.747 nan 8.290 nan 0.000 0.535 15 G N -1.232 106.975 108.800 -0.987 0.000 2.320 15 G HA2 0.137 4.103 3.960 0.011 0.000 0.274 15 G HA3 0.137 4.103 3.960 0.011 0.000 0.274 15 G C -1.241 173.610 174.900 -0.083 0.000 1.324 15 G CA -0.911 43.736 45.100 -0.755 0.000 0.957 15 G HN 0.258 nan 8.290 nan 0.000 0.481 16 Q N -0.383 119.518 119.800 0.169 0.000 2.259 16 Q HA 0.680 5.027 4.340 0.011 0.000 0.249 16 Q C -0.442 175.825 176.000 0.446 0.000 0.914 16 Q CA -0.162 55.795 55.803 0.257 0.000 0.904 16 Q CB 1.468 30.307 28.738 0.167 0.000 1.213 16 Q HN 0.441 nan 8.270 nan 0.000 0.428 17 L N 1.704 123.115 121.223 0.313 0.000 2.370 17 L HA 0.629 4.976 4.340 0.011 0.000 0.266 17 L C -0.501 176.541 176.870 0.287 0.000 1.002 17 L CA -0.827 54.205 54.840 0.320 0.000 0.818 17 L CB 2.168 44.450 42.059 0.371 0.000 1.325 17 L HN 0.447 nan 8.230 nan 0.000 0.418 18 R N 0.587 121.238 120.500 0.252 0.000 2.439 18 R HA 0.646 4.993 4.340 0.011 0.000 0.310 18 R C -0.257 176.144 176.300 0.169 0.000 0.955 18 R CA -0.323 55.905 56.100 0.213 0.000 0.853 18 R CB 1.732 32.096 30.300 0.106 0.000 1.171 18 R HN 0.829 nan 8.270 nan 0.000 0.449 19 G N 3.280 112.130 108.800 0.082 0.000 2.583 19 G HA2 0.461 4.427 3.960 0.011 0.000 0.280 19 G HA3 0.461 4.427 3.960 0.011 0.000 0.280 19 G C -0.952 173.758 174.900 -0.317 0.000 1.376 19 G CA -0.677 44.171 45.100 -0.420 0.000 1.043 19 G HN 0.582 nan 8.290 nan 0.000 0.538 20 I N -0.864 119.458 120.570 -0.413 0.000 2.619 20 I HA 0.482 4.659 4.170 0.011 0.000 0.292 20 I C -0.163 175.804 176.117 -0.249 0.000 1.100 20 I CA -1.086 60.057 61.300 -0.262 0.000 1.043 20 I CB 2.094 39.951 38.000 -0.239 0.000 1.239 20 I HN 0.432 nan 8.210 nan 0.000 0.420 21 R N 7.733 128.116 120.500 -0.195 0.000 2.248 21 R HA 0.491 4.837 4.340 0.011 0.000 0.328 21 R C -1.599 174.565 176.300 -0.226 0.000 1.067 21 R CA -0.268 55.674 56.100 -0.265 0.000 0.924 21 R CB 0.430 30.488 30.300 -0.403 0.000 1.013 21 R HN 0.632 nan 8.270 nan 0.000 0.454 22 L N 4.308 125.420 121.223 -0.184 0.000 2.334 22 L HA 0.447 4.794 4.340 0.011 0.000 0.272 22 L C -0.075 176.716 176.870 -0.133 0.000 1.020 22 L CA -0.990 53.773 54.840 -0.129 0.000 0.812 22 L CB 1.916 43.938 42.059 -0.061 0.000 1.264 22 L HN 0.508 nan 8.230 nan 0.000 0.439 23 K N 1.803 122.136 120.400 -0.112 0.000 2.248 23 K HA 0.626 4.953 4.320 0.011 0.000 0.281 23 K C -0.522 176.015 176.600 -0.105 0.000 1.054 23 K CA -0.320 55.907 56.287 -0.099 0.000 0.903 23 K CB 1.618 34.074 32.500 -0.074 0.000 1.077 23 K HN 0.630 nan 8.250 nan 0.000 0.474 24 A N 4.133 126.893 122.820 -0.100 0.000 2.299 24 A HA 0.476 4.802 4.320 0.011 0.000 0.332 24 A C -1.867 175.715 177.584 -0.004 0.000 1.131 24 A CA -1.731 50.240 52.037 -0.109 0.000 0.844 24 A CB 0.485 19.394 19.000 -0.151 0.000 1.251 24 A HN 0.462 nan 8.150 nan 0.000 0.486 25 P HA -0.133 nan 4.420 nan 0.000 0.216 25 P C 1.350 178.678 177.300 0.048 0.000 1.153 25 P CA 2.145 65.292 63.100 0.077 0.000 0.858 25 P CB 0.180 31.954 31.700 0.123 0.000 0.789 26 G N -2.266 106.565 108.800 0.052 0.000 2.880 26 G HA2 0.421 4.388 3.960 0.011 0.000 0.209 26 G HA3 0.421 4.388 3.960 0.011 0.000 0.209 26 G C 0.564 175.480 174.900 0.028 0.000 1.157 26 G CA 0.543 45.666 45.100 0.038 0.000 0.779 26 G HN 0.626 nan 8.290 nan 0.000 0.539 27 G N -0.655 108.154 108.800 0.016 0.000 2.341 27 G HA2 0.397 4.364 3.960 0.011 0.000 0.293 27 G HA3 0.397 4.364 3.960 0.011 0.000 0.293 27 G C -3.379 171.510 174.900 -0.018 0.000 1.298 27 G CA -0.718 44.388 45.100 0.008 0.000 0.868 27 G HN 0.018 nan 8.290 nan 0.000 0.540 28 P HA 0.502 nan 4.420 nan 0.000 0.274 28 P C 0.004 177.301 177.300 -0.006 0.000 1.231 28 P CA -0.179 62.851 63.100 -0.118 0.000 0.790 28 P CB 1.608 33.111 31.700 -0.328 0.000 0.951 29 V N -1.214 118.689 119.914 -0.019 0.000 3.040 29 V HA 0.667 4.793 4.120 0.011 0.000 0.312 29 V C -0.365 175.798 176.094 0.115 0.000 1.115 29 V CA -0.950 61.420 62.300 0.116 0.000 0.998 29 V CB 1.776 33.675 31.823 0.126 0.000 1.042 29 V HN 0.457 nan 8.190 nan 0.000 0.433 30 S N 1.688 117.520 115.700 0.221 0.000 2.480 30 S HA 0.860 5.336 4.470 0.011 0.000 0.286 30 S C 0.016 174.581 174.600 -0.059 0.000 1.180 30 S CA -0.008 58.256 58.200 0.106 0.000 1.075 30 S CB 1.234 64.594 63.200 0.265 0.000 0.996 30 S HN 1.597 nan 8.310 nan 0.000 0.487 31 A N 2.584 125.170 122.820 -0.391 0.000 2.356 31 A HA 0.803 5.130 4.320 0.011 0.000 0.310 31 A C -1.216 175.891 177.584 -0.794 0.000 1.075 31 A CA -0.679 51.020 52.037 -0.563 0.000 0.746 31 A CB 0.508 19.172 19.000 -0.561 0.000 1.221 31 A HN 0.691 nan 8.150 nan 0.000 0.443 32 F N 2.707 122.469 119.950 -0.313 0.000 2.434 32 F HA 0.476 5.009 4.527 0.011 0.000 0.367 32 F C -0.282 175.319 175.800 -0.331 0.000 1.093 32 F CA -0.291 57.597 58.000 -0.186 0.000 1.085 32 F CB 1.313 40.343 39.000 0.049 0.000 1.322 32 F HN 0.337 nan 8.300 nan 0.000 0.452 33 L N 2.256 123.322 121.223 -0.262 0.000 2.317 33 L HA 0.733 5.080 4.340 0.011 0.000 0.281 33 L C 0.842 177.601 176.870 -0.185 0.000 1.024 33 L CA -0.966 53.657 54.840 -0.362 0.000 0.810 33 L CB 1.745 43.374 42.059 -0.715 0.000 1.240 33 L HN 0.817 nan 8.230 nan 0.000 0.427 34 G N 3.152 111.904 108.800 -0.080 0.000 2.212 34 G HA2 -0.243 3.723 3.960 0.011 0.000 0.255 34 G HA3 -0.243 3.723 3.960 0.011 0.000 0.255 34 G C -0.145 174.774 174.900 0.032 0.000 1.062 34 G CA -0.433 44.632 45.100 -0.058 0.000 0.815 34 G HN 0.493 nan 8.290 nan 0.000 0.497 35 I N 2.211 122.820 120.570 0.064 0.000 2.452 35 I HA 0.221 4.398 4.170 0.011 0.000 0.287 35 I C -1.394 174.803 176.117 0.134 0.000 1.079 35 I CA -2.005 59.332 61.300 0.062 0.000 1.387 35 I CB 0.872 38.870 38.000 -0.003 0.000 1.404 35 I HN -0.018 nan 8.210 nan 0.000 0.522 36 P HA 0.023 nan 4.420 nan 0.000 0.276 36 P C -0.194 177.099 177.300 -0.012 0.000 1.235 36 P CA 0.041 63.085 63.100 -0.094 0.000 0.772 36 P CB 0.476 32.111 31.700 -0.108 0.000 0.871 37 F N 1.121 120.961 119.950 -0.184 0.000 2.706 37 F HA 0.711 5.245 4.527 0.011 0.000 0.313 37 F C 0.081 175.886 175.800 0.009 0.000 1.096 37 F CA -0.742 57.211 58.000 -0.079 0.000 1.219 37 F CB 0.210 39.069 39.000 -0.236 0.000 1.051 37 F HN 0.306 nan 8.300 nan 0.000 0.568 38 A N 0.203 122.761 122.820 -0.438 0.000 2.556 38 A HA 0.592 4.919 4.320 0.011 0.000 0.294 38 A C -0.764 176.674 177.584 -0.243 0.000 1.091 38 A CA -0.774 51.092 52.037 -0.285 0.000 0.704 38 A CB 1.020 19.768 19.000 -0.421 0.000 1.300 38 A HN 0.072 nan 8.150 nan 0.000 0.406 39 E N 1.217 121.347 120.200 -0.117 0.000 2.414 39 E HA 0.204 4.560 4.350 0.011 0.000 0.263 39 E C -2.307 174.199 176.600 -0.156 0.000 1.000 39 E CA -1.304 55.038 56.400 -0.097 0.000 0.914 39 E CB -0.056 29.622 29.700 -0.036 0.000 0.948 39 E HN 0.238 nan 8.360 nan 0.000 0.444 40 P HA -0.008 nan 4.420 nan 0.000 0.260 40 P C -2.189 175.042 177.300 -0.114 0.000 1.185 40 P CA -0.670 62.339 63.100 -0.151 0.000 0.763 40 P CB -0.040 31.607 31.700 -0.088 0.000 0.776 41 P HA 0.008 nan 4.420 nan 0.000 0.225 41 P C -0.273 176.966 177.300 -0.101 0.000 1.768 41 P CA 0.110 63.150 63.100 -0.100 0.000 0.943 41 P CB -0.135 31.506 31.700 -0.098 0.000 1.936 42 V N -3.010 116.852 119.914 -0.087 0.000 2.975 42 V HA 0.898 5.025 4.120 0.011 0.000 0.318 42 V C 0.960 177.011 176.094 -0.072 0.000 1.077 42 V CA 0.156 62.404 62.300 -0.086 0.000 1.000 42 V CB 0.831 32.613 31.823 -0.068 0.000 1.066 42 V HN 0.531 nan 8.190 nan 0.000 0.452 43 G N 2.828 111.584 108.800 -0.073 0.000 2.565 43 G HA2 -0.341 3.626 3.960 0.011 0.000 0.295 43 G HA3 -0.341 3.626 3.960 0.011 0.000 0.295 43 G C 1.215 176.085 174.900 -0.050 0.000 1.165 43 G CA 1.606 46.675 45.100 -0.051 0.000 0.977 43 G HN 2.316 nan 8.290 nan 0.000 0.546 44 S N 0.599 116.283 115.700 -0.027 0.000 2.474 44 S HA 0.033 4.510 4.470 0.011 0.000 0.235 44 S C 1.919 176.511 174.600 -0.014 0.000 0.997 44 S CA 1.552 59.746 58.200 -0.010 0.000 0.949 44 S CB -0.090 63.111 63.200 0.002 0.000 0.766 44 S HN 0.691 nan 8.310 nan 0.000 0.517 45 R N 0.947 121.425 120.500 -0.036 0.000 2.297 45 R HA 0.202 4.548 4.340 0.011 0.000 0.197 45 R C 0.960 177.214 176.300 -0.076 0.000 0.943 45 R CA -0.128 55.949 56.100 -0.038 0.000 1.038 45 R CB -0.124 30.151 30.300 -0.041 0.000 0.957 45 R HN 0.420 nan 8.270 nan 0.000 0.484 46 R N 0.896 121.302 120.500 -0.156 0.000 2.522 46 R HA -0.123 4.224 4.340 0.011 0.000 0.284 46 R C -0.322 175.758 176.300 -0.366 0.000 1.032 46 R CA 0.570 56.444 56.100 -0.376 0.000 1.049 46 R CB 0.129 30.075 30.300 -0.590 0.000 0.956 46 R HN 0.093 nan 8.270 nan 0.000 0.422 47 F N -0.748 119.205 119.950 0.004 0.000 2.619 47 F HA -0.310 4.224 4.527 0.011 0.000 0.425 47 F C 0.076 175.858 175.800 -0.029 0.000 0.575 47 F CA 0.690 58.669 58.000 -0.035 0.000 1.289 47 F CB -1.714 37.254 39.000 -0.055 0.000 1.859 47 F HN 0.467 nan 8.300 nan 0.000 0.280 48 M N 1.169 120.831 119.600 0.103 0.000 2.409 48 M HA 0.437 4.924 4.480 0.011 0.000 0.329 48 M C -2.024 174.300 176.300 0.041 0.000 1.180 48 M CA -1.548 53.793 55.300 0.069 0.000 1.053 48 M CB 0.732 33.361 32.600 0.048 0.000 1.586 48 M HN -0.374 nan 8.290 nan 0.000 0.461 49 P HA 0.030 nan 4.420 nan 0.000 0.266 49 P C -2.420 174.905 177.300 0.042 0.000 1.186 49 P CA -0.410 62.720 63.100 0.049 0.000 0.767 49 P CB -0.514 31.223 31.700 0.063 0.000 0.820 50 P HA 0.141 nan 4.420 nan 0.000 0.275 50 P C -0.675 176.657 177.300 0.053 0.000 1.228 50 P CA 0.093 63.217 63.100 0.039 0.000 0.786 50 P CB 0.933 32.678 31.700 0.075 0.000 0.927 51 E N 3.091 123.308 120.200 0.028 0.000 2.179 51 E HA 0.375 4.732 4.350 0.011 0.000 0.275 51 E C -2.299 174.333 176.600 0.054 0.000 0.945 51 E CA -2.374 54.052 56.400 0.044 0.000 0.792 51 E CB 0.596 30.312 29.700 0.028 0.000 1.125 51 E HN 0.345 nan 8.360 nan 0.000 0.397 52 P HA -0.076 nan 4.420 nan 0.000 0.266 52 P C -0.641 176.725 177.300 0.110 0.000 1.195 52 P CA -0.143 63.036 63.100 0.132 0.000 0.768 52 P CB 0.419 32.202 31.700 0.140 0.000 0.838 53 K N 3.688 124.175 120.400 0.145 0.000 2.447 53 K HA 0.013 4.340 4.320 0.011 0.000 0.281 53 K C -0.039 176.665 176.600 0.175 0.000 1.031 53 K CA 0.473 56.853 56.287 0.155 0.000 1.019 53 K CB -0.016 32.627 32.500 0.239 0.000 0.918 53 K HN 0.247 nan 8.250 nan 0.000 0.476 54 R N 5.149 125.733 120.500 0.140 0.000 2.590 54 R HA 0.167 4.513 4.340 0.011 0.000 0.274 54 R C -1.992 174.398 176.300 0.150 0.000 1.061 54 R CA -1.448 54.720 56.100 0.114 0.000 1.081 54 R CB 0.133 30.484 30.300 0.086 0.000 0.984 54 R HN 0.567 nan 8.270 nan 0.000 0.448 55 P HA -0.058 nan 4.420 nan 0.000 0.267 55 P C -1.218 176.089 177.300 0.012 0.000 1.200 55 P CA -0.025 62.989 63.100 -0.144 0.000 0.772 55 P CB 0.321 31.895 31.700 -0.210 0.000 0.855 56 W N 0.892 122.226 121.300 0.058 0.000 2.655 56 W HA 0.687 5.354 4.660 0.011 0.000 0.358 56 W C -0.572 175.973 176.519 0.043 0.000 1.100 56 W CA -0.995 56.380 57.345 0.051 0.000 1.195 56 W CB 0.029 29.527 29.460 0.063 0.000 1.403 56 W HN 0.370 nan 8.180 nan 0.000 0.589 57 S N 1.472 117.329 115.700 0.261 0.000 2.617 57 S HA 0.830 5.306 4.470 0.011 0.000 0.283 57 S C 0.414 175.173 174.600 0.264 0.000 1.189 57 S CA 0.027 58.324 58.200 0.161 0.000 1.036 57 S CB 0.894 64.154 63.200 0.101 0.000 1.014 57 S HN 2.128 nan 8.310 nan 0.000 0.522 58 G N 0.306 109.217 108.800 0.185 0.000 2.693 58 G HA2 -0.138 3.829 3.960 0.011 0.000 0.226 58 G HA3 -0.138 3.829 3.960 0.011 0.000 0.226 58 G C -0.691 174.375 174.900 0.277 0.000 1.354 58 G CA -0.423 44.787 45.100 0.184 0.000 0.873 58 G HN 1.633 nan 8.290 nan 0.000 0.562 59 V N 0.935 120.970 119.914 0.201 0.000 2.385 59 V HA 0.507 4.633 4.120 0.011 0.000 0.269 59 V C 0.988 177.173 176.094 0.151 0.000 1.043 59 V CA -0.150 62.275 62.300 0.208 0.000 0.906 59 V CB 1.119 33.021 31.823 0.132 0.000 0.995 59 V HN 0.820 nan 8.190 nan 0.000 0.467 60 L N 4.642 125.952 121.223 0.145 0.000 2.367 60 L HA 0.342 4.689 4.340 0.011 0.000 0.275 60 L C 0.597 177.440 176.870 -0.044 0.000 1.129 60 L CA -0.028 54.730 54.840 -0.137 0.000 0.839 60 L CB 0.708 42.390 42.059 -0.627 0.000 1.133 60 L HN 0.692 nan 8.230 nan 0.000 0.453 61 D N 4.827 125.183 120.400 -0.072 0.000 2.358 61 D HA 0.130 4.777 4.640 0.011 0.000 0.258 61 D C -0.340 175.918 176.300 -0.070 0.000 1.223 61 D CA 0.057 54.027 54.000 -0.050 0.000 0.886 61 D CB 1.389 42.150 40.800 -0.065 0.000 1.120 61 D HN 0.695 nan 8.370 nan 0.000 0.482 62 A N 3.238 126.048 122.820 -0.017 0.000 3.154 62 A HA 0.192 4.518 4.320 0.011 0.000 0.310 62 A C 1.029 178.540 177.584 -0.122 0.000 1.093 62 A CA -0.448 51.574 52.037 -0.025 0.000 1.006 62 A CB -0.103 18.987 19.000 0.151 0.000 1.084 62 A HN 0.570 nan 8.150 nan 0.000 0.549 63 T N -3.310 111.147 114.554 -0.163 0.000 3.023 63 T HA 0.255 4.611 4.350 0.011 0.000 0.253 63 T C 0.695 175.234 174.700 -0.268 0.000 1.038 63 T CA 0.780 62.751 62.100 -0.215 0.000 0.962 63 T CB -0.167 68.608 68.868 -0.155 0.000 1.018 63 T HN 0.710 nan 8.240 nan 0.000 0.521 64 T N -0.444 113.951 114.554 -0.266 0.000 2.903 64 T HA 0.693 5.050 4.350 0.011 0.000 0.299 64 T C -0.755 173.776 174.700 -0.282 0.000 1.093 64 T CA -0.913 61.021 62.100 -0.276 0.000 1.002 64 T CB 1.051 69.827 68.868 -0.153 0.000 1.127 64 T HN 0.012 nan 8.240 nan 0.000 0.488 65 F N 2.032 121.912 119.950 -0.116 0.000 2.553 65 F HA 0.301 4.834 4.527 0.011 0.000 0.356 65 F C 1.542 177.240 175.800 -0.169 0.000 1.142 65 F CA -0.071 57.861 58.000 -0.113 0.000 1.322 65 F CB 0.441 39.405 39.000 -0.061 0.000 1.126 65 F HN 0.496 nan 8.300 nan 0.000 0.599 66 Q N 1.092 120.892 119.800 0.001 0.000 2.173 66 Q HA 0.231 4.577 4.340 0.011 0.000 0.186 66 Q C -0.239 175.691 176.000 -0.116 0.000 1.018 66 Q CA -0.775 54.881 55.803 -0.245 0.000 1.064 66 Q CB 0.496 28.775 28.738 -0.766 0.000 1.130 66 Q HN 0.506 nan 8.270 nan 0.000 0.553 67 N N -0.079 118.532 118.700 -0.149 0.000 2.441 67 N HA 0.032 4.779 4.740 0.011 0.000 0.251 67 N C -0.543 174.964 175.510 -0.005 0.000 1.242 67 N CA 0.107 53.126 53.050 -0.053 0.000 0.898 67 N CB 0.392 38.870 38.487 -0.015 0.000 1.100 67 N HN 0.164 nan 8.380 nan 0.000 0.443 68 V N 1.716 121.597 119.914 -0.054 0.000 2.649 68 V HA 0.079 4.206 4.120 0.011 0.000 0.292 68 V C 0.654 176.707 176.094 -0.068 0.000 1.055 68 V CA -0.790 61.464 62.300 -0.076 0.000 1.023 68 V CB 0.946 32.687 31.823 -0.138 0.000 0.992 68 V HN 0.698 nan 8.190 nan 0.000 0.480 69 c N 4.141 122.714 118.600 -0.045 0.000 2.662 69 c HA 0.155 4.731 4.570 0.011 0.000 0.420 69 c C 0.458 174.507 174.090 -0.067 0.000 1.314 69 c CA -0.647 55.660 56.329 -0.038 0.000 1.963 69 c CB -0.947 41.569 42.510 0.010 0.000 2.686 69 c HN 0.758 nan 8.230 nan 0.000 0.609 70 Y N 3.713 123.870 120.300 -0.239 0.000 2.717 70 Y HA 0.250 4.806 4.550 0.011 0.000 0.330 70 Y C 0.791 176.684 175.900 -0.011 0.000 1.217 70 Y CA 1.077 59.031 58.100 -0.243 0.000 1.506 70 Y CB 0.185 38.285 38.460 -0.600 0.000 1.268 70 Y HN 0.765 nan 8.280 nan 0.000 0.561 71 Q N 3.947 123.803 119.800 0.093 0.000 2.633 71 Q HA 0.197 4.544 4.340 0.011 0.000 0.289 71 Q C -1.901 174.282 176.000 0.304 0.000 0.940 71 Q CA -1.204 54.777 55.803 0.296 0.000 0.785 71 Q CB 1.105 29.961 28.738 0.197 0.000 1.467 71 Q HN 0.661 nan 8.270 nan 0.000 0.401 72 Y N 1.181 121.703 120.300 0.370 0.000 2.610 72 Y HA 0.350 4.906 4.550 0.011 0.000 0.332 72 Y C -0.985 175.081 175.900 0.277 0.000 1.201 72 Y CA 0.325 58.652 58.100 0.378 0.000 1.465 72 Y CB 0.889 39.706 38.460 0.595 0.000 1.283 72 Y HN 0.439 nan 8.280 nan 0.000 0.563 73 V N 7.233 126.915 119.914 -0.386 0.000 2.384 73 V HA 0.091 4.218 4.120 0.011 0.000 0.287 73 V C -0.189 175.627 176.094 -0.463 0.000 1.020 73 V CA -1.116 61.017 62.300 -0.277 0.000 0.850 73 V CB 1.363 33.077 31.823 -0.182 0.000 0.987 73 V HN 0.778 nan 8.190 nan 0.000 0.436 74 D N 3.635 123.974 120.400 -0.101 0.000 2.417 74 D HA 0.087 4.734 4.640 0.011 0.000 0.250 74 D C 0.594 176.919 176.300 0.042 0.000 1.166 74 D CA 0.305 54.350 54.000 0.076 0.000 0.881 74 D CB 1.561 42.551 40.800 0.317 0.000 1.164 74 D HN 0.743 nan 8.370 nan 0.000 0.467 75 T N 1.504 116.079 114.554 0.035 0.000 3.288 75 T HA 0.035 4.391 4.350 0.011 0.000 0.293 75 T C 1.506 176.207 174.700 0.002 0.000 1.008 75 T CA -0.500 61.613 62.100 0.021 0.000 0.929 75 T CB 0.126 68.981 68.868 -0.022 0.000 1.152 75 T HN 0.226 nan 8.240 nan 0.000 0.517 76 L N 0.735 121.954 121.223 -0.007 0.000 2.042 76 L HA 0.179 4.525 4.340 0.011 0.000 0.210 76 L C -0.306 176.293 176.870 -0.451 0.000 1.076 76 L CA 1.659 56.323 54.840 -0.293 0.000 0.749 76 L CB -0.360 41.413 42.059 -0.478 0.000 0.893 76 L HN 0.431 nan 8.230 nan 0.000 0.432 77 Y N -0.307 120.024 120.300 0.051 0.000 2.705 77 Y HA 0.429 4.985 4.550 0.011 0.000 0.355 77 Y C -2.216 173.726 175.900 0.070 0.000 1.039 77 Y CA -3.657 54.452 58.100 0.014 0.000 1.233 77 Y CB -0.153 38.287 38.460 -0.033 0.000 1.103 77 Y HN 0.032 nan 8.280 nan 0.000 0.624 78 P HA 0.066 nan 4.420 nan 0.000 0.260 78 P C 1.041 178.400 177.300 0.099 0.000 1.172 78 P CA 1.789 64.947 63.100 0.095 0.000 0.760 78 P CB 0.616 32.346 31.700 0.049 0.000 0.773 79 G N 2.453 111.297 108.800 0.073 0.000 2.179 79 G HA2 -0.290 3.677 3.960 0.011 0.000 0.260 79 G HA3 -0.290 3.677 3.960 0.011 0.000 0.260 79 G C -0.062 174.881 174.900 0.071 0.000 0.977 79 G CA -0.396 44.730 45.100 0.044 0.000 0.641 79 G HN 0.534 nan 8.290 nan 0.000 0.533 80 F N 2.061 121.965 119.950 -0.077 0.000 2.411 80 F HA 0.603 5.136 4.527 0.011 0.000 0.355 80 F C 1.286 176.986 175.800 -0.166 0.000 1.117 80 F CA -0.756 57.149 58.000 -0.158 0.000 1.139 80 F CB 1.338 40.220 39.000 -0.198 0.000 1.120 80 F HN 0.209 nan 8.300 nan 0.000 0.493 81 E N 3.878 123.691 120.200 -0.645 0.000 2.150 81 E HA -0.049 4.307 4.350 0.011 0.000 0.193 81 E C 2.156 178.274 176.600 -0.802 0.000 0.985 81 E CA 1.464 57.507 56.400 -0.596 0.000 0.814 81 E CB -0.321 29.109 29.700 -0.449 0.000 0.752 81 E HN 0.944 nan 8.360 nan 0.000 0.466 82 G N -0.059 107.764 108.800 -1.629 0.000 2.469 82 G HA2 -0.369 3.597 3.960 0.011 0.000 0.220 82 G HA3 -0.369 3.597 3.960 0.011 0.000 0.220 82 G C 1.745 176.553 174.900 -0.154 0.000 1.136 82 G CA 1.753 46.109 45.100 -1.240 0.000 0.759 82 G HN 0.498 nan 8.290 nan 0.000 0.562 83 T N -1.966 112.506 114.554 -0.137 0.000 3.010 83 T HA 0.164 4.521 4.350 0.011 0.000 0.252 83 T C 1.976 176.813 174.700 0.229 0.000 1.047 83 T CA 1.073 63.433 62.100 0.433 0.000 1.140 83 T CB -0.008 69.197 68.868 0.561 0.000 0.885 83 T HN 0.375 nan 8.240 nan 0.000 0.464 84 E N 1.559 121.742 120.200 -0.028 0.000 2.285 84 E HA 0.032 4.389 4.350 0.011 0.000 0.194 84 E C 2.192 178.676 176.600 -0.194 0.000 0.997 84 E CA 0.820 57.179 56.400 -0.068 0.000 0.845 84 E CB -0.322 29.325 29.700 -0.090 0.000 0.782 84 E HN 0.738 nan 8.360 nan 0.000 0.491 85 M N -1.401 117.971 119.600 -0.381 0.000 2.346 85 M HA -0.111 4.376 4.480 0.011 0.000 0.263 85 M C 1.017 176.915 176.300 -0.670 0.000 1.064 85 M CA 1.495 56.427 55.300 -0.614 0.000 1.083 85 M CB -0.460 31.629 32.600 -0.850 0.000 1.399 85 M HN 0.057 nan 8.290 nan 0.000 0.435 86 W N 0.929 122.161 121.300 -0.114 0.000 3.114 86 W HA 0.271 4.937 4.660 0.011 0.000 0.279 86 W C 0.409 176.853 176.519 -0.124 0.000 1.277 86 W CA -1.020 56.246 57.345 -0.132 0.000 1.630 86 W CB -0.168 29.264 29.460 -0.047 0.000 1.087 86 W HN 0.106 nan 8.180 nan 0.000 0.637 87 N N 1.571 120.305 118.700 0.057 0.000 2.467 87 N HA 0.139 4.886 4.740 0.011 0.000 0.262 87 N C -2.384 173.075 175.510 -0.084 0.000 1.234 87 N CA -1.487 51.565 53.050 0.003 0.000 0.952 87 N CB -0.172 38.311 38.487 -0.007 0.000 1.158 87 N HN -0.335 nan 8.380 nan 0.000 0.463 88 P HA 0.026 nan 4.420 nan 0.000 0.264 88 P C 0.245 177.460 177.300 -0.141 0.000 1.183 88 P CA 0.148 63.164 63.100 -0.140 0.000 0.763 88 P CB 0.330 31.944 31.700 -0.144 0.000 0.807 89 N N 1.968 120.571 118.700 -0.162 0.000 2.200 89 N HA 0.091 4.837 4.740 0.011 0.000 0.224 89 N C 0.096 175.535 175.510 -0.118 0.000 1.179 89 N CA -0.022 52.940 53.050 -0.147 0.000 0.877 89 N CB 0.522 38.901 38.487 -0.180 0.000 1.072 89 N HN 0.171 nan 8.380 nan 0.000 0.519 90 R N 0.140 120.570 120.500 -0.117 0.000 2.817 90 R HA 0.256 4.602 4.340 0.011 0.000 0.268 90 R C -0.746 175.495 176.300 -0.099 0.000 1.027 90 R CA -0.672 55.375 56.100 -0.088 0.000 0.928 90 R CB 1.127 31.386 30.300 -0.070 0.000 1.228 90 R HN 0.258 nan 8.270 nan 0.000 0.469 91 E N 1.527 121.677 120.200 -0.085 0.000 2.502 91 E HA -0.032 4.324 4.350 0.011 0.000 0.261 91 E C -0.512 176.019 176.600 -0.114 0.000 0.974 91 E CA 0.090 56.437 56.400 -0.089 0.000 0.936 91 E CB 0.487 30.149 29.700 -0.063 0.000 0.926 91 E HN 0.262 nan 8.360 nan 0.000 0.459 92 L N 3.864 124.983 121.223 -0.173 0.000 2.319 92 L HA 0.235 4.582 4.340 0.011 0.000 0.280 92 L C 0.293 177.102 176.870 -0.102 0.000 1.099 92 L CA -0.015 54.660 54.840 -0.276 0.000 0.828 92 L CB 1.068 42.727 42.059 -0.667 0.000 1.150 92 L HN 0.410 nan 8.230 nan 0.000 0.442 93 S N 1.305 117.002 115.700 -0.007 0.000 2.547 93 S HA 0.233 4.710 4.470 0.011 0.000 0.270 93 S C 0.350 174.960 174.600 0.017 0.000 1.150 93 S CA -0.667 57.585 58.200 0.087 0.000 0.850 93 S CB 1.672 64.892 63.200 0.033 0.000 1.118 93 S HN 0.739 nan 8.310 nan 0.000 0.461 94 E N 0.858 121.020 120.200 -0.064 0.000 2.274 94 E HA -0.071 4.286 4.350 0.011 0.000 0.194 94 E C -0.323 176.218 176.600 -0.098 0.000 0.996 94 E CA 0.542 56.834 56.400 -0.180 0.000 0.840 94 E CB 0.074 29.631 29.700 -0.239 0.000 0.772 94 E HN 0.538 nan 8.360 nan 0.000 0.491 95 D N 0.401 120.780 120.400 -0.036 0.000 2.470 95 D HA -0.007 4.640 4.640 0.011 0.000 0.226 95 D C 0.065 176.439 176.300 0.125 0.000 1.196 95 D CA -0.274 53.730 54.000 0.007 0.000 0.979 95 D CB 0.029 40.857 40.800 0.047 0.000 1.059 95 D HN 0.145 nan 8.370 nan 0.000 0.515 96 c N 2.614 121.238 118.600 0.041 0.000 3.865 96 c HA 0.364 4.941 4.570 0.011 0.000 0.297 96 c C 0.506 174.626 174.090 0.050 0.000 1.758 96 c CA -0.657 55.764 56.329 0.154 0.000 1.778 96 c CB -1.192 41.353 42.510 0.058 0.000 3.158 96 c HN 0.445 nan 8.230 nan 0.000 0.598 97 L N 2.570 123.548 121.223 -0.409 0.000 2.399 97 L HA 0.431 4.777 4.340 0.011 0.000 0.257 97 L C -1.036 175.200 176.870 -1.057 0.000 1.236 97 L CA 0.373 54.783 54.840 -0.716 0.000 1.144 97 L CB -0.577 40.946 42.059 -0.894 0.000 1.379 97 L HN 0.378 nan 8.230 nan 0.000 0.414 98 Y N 1.725 121.976 120.300 -0.082 0.000 2.512 98 Y HA 0.612 5.168 4.550 0.011 0.000 0.348 98 Y C -0.062 176.026 175.900 0.314 0.000 0.990 98 Y CA -1.220 56.925 58.100 0.075 0.000 1.033 98 Y CB 2.026 40.492 38.460 0.009 0.000 1.259 98 Y HN 0.198 nan 8.280 nan 0.000 0.461 99 L N -0.020 121.402 121.223 0.332 0.000 2.279 99 L HA 0.792 5.139 4.340 0.011 0.000 0.262 99 L C -1.174 175.696 176.870 0.000 0.000 1.019 99 L CA -1.126 53.777 54.840 0.106 0.000 0.823 99 L CB 1.629 43.563 42.059 -0.208 0.000 1.358 99 L HN 0.458 nan 8.230 nan 0.000 0.432 100 N N -0.061 118.636 118.700 -0.005 0.000 2.238 100 N HA 0.714 5.461 4.740 0.011 0.000 0.302 100 N C -1.570 173.851 175.510 -0.149 0.000 1.072 100 N CA -0.385 52.588 53.050 -0.130 0.000 0.792 100 N CB 2.834 41.276 38.487 -0.074 0.000 1.425 100 N HN 0.507 nan 8.380 nan 0.000 0.478 101 V N 1.566 121.313 119.914 -0.277 0.000 2.577 101 V HA 0.475 4.602 4.120 0.011 0.000 0.303 101 V C -0.782 175.248 176.094 -0.106 0.000 1.042 101 V CA -0.792 61.438 62.300 -0.116 0.000 0.872 101 V CB 2.170 33.794 31.823 -0.333 0.000 0.998 101 V HN 0.538 nan 8.190 nan 0.000 0.423 102 W N 2.825 124.210 121.300 0.142 0.000 2.606 102 W HA 0.720 5.387 4.660 0.012 0.000 0.332 102 W C 0.166 176.784 176.519 0.166 0.000 1.052 102 W CA -0.425 57.007 57.345 0.144 0.000 1.223 102 W CB 2.470 31.997 29.460 0.111 0.000 1.383 102 W HN 0.662 nan 8.180 nan 0.000 0.524 103 T N -0.100 114.698 114.554 0.407 0.000 2.843 103 T HA 0.488 4.845 4.350 0.011 0.000 0.302 103 T C -2.878 171.991 174.700 0.281 0.000 1.232 103 T CA -2.251 60.045 62.100 0.327 0.000 1.009 103 T CB 2.103 71.187 68.868 0.360 0.000 1.254 103 T HN -0.093 nan 8.240 nan 0.000 0.504 104 P HA 0.192 nan 4.420 nan 0.000 0.270 104 P C -1.550 175.894 177.300 0.240 0.000 1.221 104 P CA -0.052 63.165 63.100 0.195 0.000 0.788 104 P CB 0.066 31.851 31.700 0.141 0.000 0.904 105 Y N 1.976 122.328 120.300 0.086 0.000 2.329 105 Y HA 0.413 4.969 4.550 0.011 0.000 0.328 105 Y C -2.263 173.670 175.900 0.054 0.000 0.992 105 Y CA -2.477 55.666 58.100 0.072 0.000 1.151 105 Y CB 1.135 39.623 38.460 0.047 0.000 1.150 105 Y HN 0.324 nan 8.280 nan 0.000 0.450 106 P HA 0.193 nan 4.420 nan 0.000 0.272 106 P C -0.784 176.468 177.300 -0.080 0.000 1.240 106 P CA -0.269 62.611 63.100 -0.365 0.000 0.791 106 P CB 0.981 32.508 31.700 -0.288 0.000 0.978 107 R N 1.085 121.562 120.500 -0.038 0.000 2.698 107 R HA 0.124 4.471 4.340 0.011 0.000 0.266 107 R C -1.832 174.498 176.300 0.049 0.000 1.026 107 R CA -0.947 55.197 56.100 0.074 0.000 1.102 107 R CB -0.972 29.392 30.300 0.106 0.000 0.978 107 R HN 0.431 nan 8.270 nan 0.000 0.436 108 P HA -0.037 nan 4.420 nan 0.000 0.266 108 P C -0.313 177.007 177.300 0.035 0.000 1.195 108 P CA 0.290 63.423 63.100 0.056 0.000 0.768 108 P CB 0.784 32.527 31.700 0.072 0.000 0.838 109 A N 1.999 124.830 122.820 0.020 0.000 2.081 109 A HA 0.127 4.454 4.320 0.011 0.000 0.214 109 A C 0.879 178.468 177.584 0.008 0.000 1.158 109 A CA 0.891 52.933 52.037 0.008 0.000 0.724 109 A CB -0.423 18.578 19.000 0.001 0.000 0.826 109 A HN 0.594 nan 8.150 nan 0.000 0.463 110 S N -0.436 115.273 115.700 0.015 0.000 2.532 110 S HA 0.633 5.110 4.470 0.011 0.000 0.301 110 S C -3.245 171.367 174.600 0.020 0.000 1.083 110 S CA -1.829 56.378 58.200 0.012 0.000 1.025 110 S CB 1.326 64.530 63.200 0.008 0.000 1.056 110 S HN -0.026 nan 8.310 nan 0.000 0.494 111 P HA 0.152 nan 4.420 nan 0.000 0.258 111 P C -0.621 176.693 177.300 0.023 0.000 1.187 111 P CA 0.384 63.496 63.100 0.020 0.000 0.767 111 P CB -0.114 31.589 31.700 0.005 0.000 0.770 112 T N 6.049 120.629 114.554 0.043 0.000 2.794 112 T HA 0.375 4.732 4.350 0.011 0.000 0.280 112 T C -2.365 172.363 174.700 0.047 0.000 0.987 112 T CA -1.853 60.274 62.100 0.046 0.000 0.993 112 T CB 0.725 69.635 68.868 0.070 0.000 0.939 112 T HN 0.136 nan 8.240 nan 0.000 0.449 113 P HA 0.066 nan 4.420 nan 0.000 0.263 113 P C -0.839 176.500 177.300 0.065 0.000 1.175 113 P CA -0.074 63.041 63.100 0.025 0.000 0.761 113 P CB 0.350 32.049 31.700 -0.002 0.000 0.794 114 V N 5.242 125.210 119.914 0.091 0.000 2.435 114 V HA 0.320 4.447 4.120 0.011 0.000 0.290 114 V C 0.360 176.546 176.094 0.154 0.000 1.030 114 V CA -0.500 61.883 62.300 0.137 0.000 0.881 114 V CB 1.299 33.218 31.823 0.160 0.000 0.983 114 V HN 0.360 nan 8.190 nan 0.000 0.445 115 L N 5.700 127.032 121.223 0.182 0.000 2.296 115 L HA 0.598 4.945 4.340 0.011 0.000 0.286 115 L C -0.655 176.471 176.870 0.427 0.000 1.023 115 L CA -0.282 54.702 54.840 0.240 0.000 0.812 115 L CB 1.617 43.724 42.059 0.080 0.000 1.223 115 L HN 0.504 nan 8.230 nan 0.000 0.421 116 I N 3.086 123.945 120.570 0.482 0.000 2.382 116 I HA 0.201 4.378 4.170 0.011 0.000 0.286 116 I C -0.656 175.717 176.117 0.426 0.000 1.002 116 I CA -0.419 61.121 61.300 0.399 0.000 1.135 116 I CB 1.380 39.495 38.000 0.192 0.000 1.288 116 I HN 0.630 nan 8.210 nan 0.000 0.448 117 W N 8.543 129.893 121.300 0.084 0.000 2.316 117 W HA 0.539 5.205 4.660 0.010 0.000 0.311 117 W C -1.418 174.980 176.519 -0.200 0.000 1.217 117 W CA -0.557 56.588 57.345 -0.334 0.000 1.199 117 W CB 1.080 30.383 29.460 -0.262 0.000 1.202 117 W HN 0.353 nan 8.180 nan 0.000 0.528 118 I N 9.080 129.030 120.570 -1.034 0.000 2.382 118 I HA 0.084 4.260 4.170 0.011 0.000 0.285 118 I C -0.229 175.064 176.117 -1.373 0.000 1.007 118 I CA -1.141 59.598 61.300 -0.935 0.000 1.142 118 I CB 0.717 38.352 38.000 -0.609 0.000 1.289 118 I HN 0.313 nan 8.210 nan 0.000 0.453 119 Y N 4.559 124.336 120.300 -0.872 0.000 2.426 119 Y HA 0.680 5.237 4.550 0.011 0.000 0.344 119 Y C 0.738 176.432 175.900 -0.344 0.000 1.256 119 Y CA -0.704 57.001 58.100 -0.657 0.000 1.451 119 Y CB 0.025 38.331 38.460 -0.256 0.000 1.342 119 Y HN 0.532 nan 8.280 nan 0.000 0.600 120 G N -0.988 107.784 108.800 -0.046 0.000 2.671 120 G HA2 0.500 4.467 3.960 0.011 0.000 0.275 120 G HA3 0.500 4.467 3.960 0.011 0.000 0.275 120 G C 0.248 175.068 174.900 -0.133 0.000 1.368 120 G CA -0.975 44.030 45.100 -0.158 0.000 1.044 120 G HN 1.712 nan 8.290 nan 0.000 0.543 121 G N -2.757 105.815 108.800 -0.380 0.000 2.165 121 G HA2 0.395 4.362 3.960 0.011 0.000 0.144 121 G HA3 0.395 4.362 3.960 0.011 0.000 0.144 121 G C 1.075 175.462 174.900 -0.855 0.000 1.049 121 G CA 0.734 45.497 45.100 -0.560 0.000 0.741 121 G HN 2.377 nan 8.290 nan 0.000 0.493 122 G N -0.605 107.674 108.800 -0.869 0.000 2.168 122 G HA2 -0.120 3.847 3.960 0.011 0.000 0.257 122 G HA3 -0.120 3.847 3.960 0.011 0.000 0.257 122 G C 0.898 175.529 174.900 -0.450 0.000 0.997 122 G CA 0.816 45.139 45.100 -1.295 0.000 0.708 122 G HN 1.801 nan 8.290 nan 0.000 0.520 123 F N -3.332 116.503 119.950 -0.192 0.000 2.871 123 F HA -0.306 4.227 4.527 0.011 0.000 0.326 123 F C 1.415 177.340 175.800 0.207 0.000 0.675 123 F CA 2.130 60.139 58.000 0.015 0.000 1.188 123 F CB -2.086 36.753 39.000 -0.269 0.000 1.567 123 F HN 0.931 nan 8.300 nan 0.000 0.325 124 Y N -0.989 119.439 120.300 0.213 0.000 2.500 124 Y HA 0.661 5.217 4.550 0.011 0.000 0.246 124 Y C 0.538 176.597 175.900 0.266 0.000 1.146 124 Y CA 0.249 58.516 58.100 0.279 0.000 1.230 124 Y CB 0.073 38.699 38.460 0.277 0.000 1.214 124 Y HN 0.095 nan 8.280 nan 0.000 0.526 125 S N -0.819 114.693 115.700 -0.314 0.000 2.643 125 S HA 0.880 5.357 4.470 0.011 0.000 0.270 125 S C -0.240 174.226 174.600 -0.223 0.000 1.166 125 S CA -0.476 57.569 58.200 -0.259 0.000 0.815 125 S CB 1.507 64.431 63.200 -0.461 0.000 1.139 125 S HN 1.359 nan 8.310 nan 0.000 0.472 126 G N -0.643 107.985 108.800 -0.288 0.000 2.392 126 G HA2 0.557 4.524 3.960 0.011 0.000 0.677 126 G HA3 0.557 4.524 3.960 0.011 0.000 0.677 126 G C -0.743 173.550 174.900 -1.010 0.000 1.334 126 G CA -0.185 44.562 45.100 -0.587 0.000 0.961 126 G HN 2.221 nan 8.290 nan 0.000 0.616 127 A N -1.157 120.961 122.820 -1.169 0.000 2.577 127 A HA 0.987 5.314 4.320 0.011 0.000 0.297 127 A C 0.624 178.012 177.584 -0.327 0.000 1.060 127 A CA 0.636 52.207 52.037 -0.778 0.000 0.697 127 A CB 0.970 19.750 19.000 -0.368 0.000 1.281 127 A HN 2.578 nan 8.150 nan 0.000 0.402 128 A N 0.642 123.479 122.820 0.029 0.000 2.168 128 A HA 0.194 4.520 4.320 0.011 0.000 0.215 128 A C 1.790 179.426 177.584 0.086 0.000 1.152 128 A CA 1.935 54.163 52.037 0.320 0.000 0.716 128 A CB -0.562 18.699 19.000 0.435 0.000 0.794 128 A HN 1.855 nan 8.150 nan 0.000 0.465 129 S N -0.571 114.951 115.700 -0.296 0.000 2.593 129 S HA 0.300 4.777 4.470 0.011 0.000 0.217 129 S C 0.516 174.682 174.600 -0.723 0.000 0.966 129 S CA -0.433 57.140 58.200 -1.045 0.000 0.914 129 S CB -0.577 61.987 63.200 -1.060 0.000 0.776 129 S HN 0.386 nan 8.310 nan 0.000 0.523 130 L N 2.168 123.150 121.223 -0.402 0.000 2.461 130 L HA 0.170 4.517 4.340 0.011 0.000 0.272 130 L C 1.144 177.716 176.870 -0.498 0.000 1.197 130 L CA -0.458 54.095 54.840 -0.479 0.000 0.836 130 L CB 0.225 41.904 42.059 -0.633 0.000 1.105 130 L HN 0.074 nan 8.230 nan 0.000 0.477 131 D N 1.026 121.163 120.400 -0.438 0.000 2.178 131 D HA -0.131 4.516 4.640 0.011 0.000 0.201 131 D C 1.926 177.974 176.300 -0.419 0.000 0.980 131 D CA 1.163 54.967 54.000 -0.327 0.000 0.842 131 D CB 0.066 40.711 40.800 -0.259 0.000 0.948 131 D HN 0.512 nan 8.370 nan 0.000 0.472 132 V N -1.531 117.990 119.914 -0.656 0.000 3.217 132 V HA -0.108 4.018 4.120 0.011 0.000 0.264 132 V C 0.967 176.485 176.094 -0.960 0.000 1.135 132 V CA 0.846 62.723 62.300 -0.706 0.000 1.142 132 V CB -1.100 30.276 31.823 -0.745 0.000 0.754 132 V HN 0.045 nan 8.190 nan 0.000 0.484 133 Y N 0.367 120.112 120.300 -0.926 0.000 2.625 133 Y HA 0.456 5.012 4.550 0.011 0.000 0.285 133 Y C 0.772 176.115 175.900 -0.927 0.000 1.168 133 Y CA -2.017 55.174 58.100 -1.515 0.000 1.250 133 Y CB -0.811 37.138 38.460 -0.852 0.000 1.130 133 Y HN 0.234 nan 8.280 nan 0.000 0.526 134 D N 0.698 120.811 120.400 -0.478 0.000 2.382 134 D HA 0.061 4.708 4.640 0.011 0.000 0.259 134 D C 1.421 177.401 176.300 -0.534 0.000 1.224 134 D CA 0.396 54.171 54.000 -0.376 0.000 0.894 134 D CB 1.330 42.051 40.800 -0.132 0.000 1.127 134 D HN 0.463 nan 8.370 nan 0.000 0.487 135 G N 3.967 111.844 108.800 -1.538 0.000 2.848 135 G HA2 -0.185 3.782 3.960 0.011 0.000 0.208 135 G HA3 -0.185 3.782 3.960 0.011 0.000 0.208 135 G C 1.465 175.854 174.900 -0.852 0.000 1.152 135 G CA 0.327 44.707 45.100 -1.200 0.000 0.789 135 G HN 0.632 nan 8.290 nan 0.000 0.531 136 R N -0.699 119.252 120.500 -0.915 0.000 2.120 136 R HA 0.018 4.365 4.340 0.011 0.000 0.234 136 R C 1.680 177.726 176.300 -0.424 0.000 1.123 136 R CA 1.219 56.992 56.100 -0.546 0.000 0.975 136 R CB -0.613 29.360 30.300 -0.545 0.000 0.866 136 R HN 0.324 nan 8.270 nan 0.000 0.446 137 F N 1.314 121.183 119.950 -0.134 0.000 2.187 137 F HA 0.101 4.635 4.527 0.012 0.000 0.295 137 F C 2.225 177.971 175.800 -0.090 0.000 1.091 137 F CA 0.601 58.543 58.000 -0.097 0.000 1.308 137 F CB -0.491 38.440 39.000 -0.115 0.000 1.030 137 F HN -0.141 nan 8.300 nan 0.000 0.487 138 L N 0.008 121.267 121.223 0.060 0.000 2.017 138 L HA -0.212 4.135 4.340 0.011 0.000 0.208 138 L C 2.770 179.650 176.870 0.017 0.000 1.073 138 L CA 1.240 56.074 54.840 -0.011 0.000 0.745 138 L CB -1.017 40.987 42.059 -0.090 0.000 0.894 138 L HN 0.177 nan 8.230 nan 0.000 0.432 139 A N -0.853 121.983 122.820 0.026 0.000 1.865 139 A HA -0.281 4.045 4.320 0.011 0.000 0.217 139 A C 2.298 179.926 177.584 0.075 0.000 1.191 139 A CA 1.904 53.993 52.037 0.087 0.000 0.623 139 A CB -0.617 18.475 19.000 0.153 0.000 0.826 139 A HN 0.419 nan 8.150 nan 0.000 0.444 140 Q N -0.291 119.537 119.800 0.046 0.000 2.020 140 Q HA -0.082 4.264 4.340 0.011 0.000 0.198 140 Q C 2.245 178.277 176.000 0.053 0.000 0.974 140 Q CA 2.085 57.919 55.803 0.051 0.000 0.829 140 Q CB -0.357 28.396 28.738 0.025 0.000 0.894 140 Q HN 0.415 nan 8.270 nan 0.000 0.433 141 V N 1.188 121.134 119.914 0.053 0.000 2.407 141 V HA -0.109 4.017 4.120 0.011 0.000 0.245 141 V C 1.827 177.937 176.094 0.026 0.000 1.041 141 V CA 1.534 63.858 62.300 0.040 0.000 1.040 141 V CB -0.180 31.665 31.823 0.038 0.000 0.671 141 V HN 0.239 nan 8.190 nan 0.000 0.455 142 E N -0.252 119.961 120.200 0.022 0.000 2.472 142 E HA 0.190 4.546 4.350 0.011 0.000 0.196 142 E C 1.688 178.305 176.600 0.029 0.000 1.033 142 E CA 0.726 57.135 56.400 0.015 0.000 0.886 142 E CB 0.518 30.217 29.700 -0.002 0.000 0.944 142 E HN 0.594 nan 8.360 nan 0.000 0.492 143 G N 1.787 110.615 108.800 0.047 0.000 2.198 143 G HA2 -0.311 3.655 3.960 0.011 0.000 0.260 143 G HA3 -0.311 3.655 3.960 0.011 0.000 0.260 143 G C 0.495 175.439 174.900 0.073 0.000 1.025 143 G CA 0.385 45.523 45.100 0.063 0.000 0.769 143 G HN 0.466 nan 8.290 nan 0.000 0.507 144 A N -0.770 122.092 122.820 0.071 0.000 2.407 144 A HA 0.671 4.998 4.320 0.011 0.000 0.248 144 A C 0.605 178.269 177.584 0.134 0.000 1.082 144 A CA 0.169 52.255 52.037 0.081 0.000 0.785 144 A CB 1.037 20.068 19.000 0.051 0.000 1.020 144 A HN 1.148 nan 8.150 nan 0.000 0.489 145 V N 3.155 123.157 119.914 0.147 0.000 2.385 145 V HA 0.348 4.474 4.120 0.011 0.000 0.269 145 V C -0.028 176.202 176.094 0.226 0.000 1.043 145 V CA -0.042 62.376 62.300 0.196 0.000 0.906 145 V CB 0.683 32.614 31.823 0.180 0.000 0.995 145 V HN 0.719 nan 8.190 nan 0.000 0.467 146 L N 6.356 127.765 121.223 0.310 0.000 2.341 146 L HA 0.764 5.111 4.340 0.011 0.000 0.278 146 L C -0.866 176.287 176.870 0.472 0.000 1.005 146 L CA -0.291 54.782 54.840 0.389 0.000 0.818 146 L CB 1.893 44.177 42.059 0.375 0.000 1.259 146 L HN 0.443 nan 8.230 nan 0.000 0.418 147 V N 2.970 123.135 119.914 0.418 0.000 2.656 147 V HA 0.716 4.842 4.120 0.011 0.000 0.307 147 V C -0.502 175.828 176.094 0.393 0.000 1.051 147 V CA -0.466 62.038 62.300 0.339 0.000 0.893 147 V CB 1.968 33.919 31.823 0.213 0.000 0.999 147 V HN 0.847 nan 8.190 nan 0.000 0.426 148 S N 4.884 120.814 115.700 0.383 0.000 2.541 148 S HA 0.895 5.372 4.470 0.011 0.000 0.280 148 S C -0.850 173.900 174.600 0.251 0.000 1.112 148 S CA -0.832 57.599 58.200 0.384 0.000 0.925 148 S CB 2.331 65.886 63.200 0.592 0.000 1.067 148 S HN 0.901 nan 8.310 nan 0.000 0.479 149 M N 1.318 121.037 119.600 0.199 0.000 2.530 149 M HA 0.635 5.122 4.480 0.011 0.000 0.307 149 M C -1.753 174.771 176.300 0.373 0.000 1.161 149 M CA -0.578 54.834 55.300 0.188 0.000 0.903 149 M CB 1.230 33.763 32.600 -0.112 0.000 1.711 149 M HN 0.542 nan 8.290 nan 0.000 0.451 150 N N 2.964 121.941 118.700 0.463 0.000 2.529 150 N HA 0.543 5.290 4.740 0.011 0.000 0.278 150 N C -1.394 174.392 175.510 0.459 0.000 1.146 150 N CA 0.191 53.524 53.050 0.473 0.000 0.980 150 N CB 0.435 39.125 38.487 0.338 0.000 1.124 150 N HN 0.720 nan 8.380 nan 0.000 0.458 151 Y N -1.809 118.664 120.300 0.289 0.000 2.524 151 Y HA 0.557 5.114 4.550 0.011 0.000 0.347 151 Y C -0.036 175.991 175.900 0.212 0.000 1.005 151 Y CA -1.332 56.885 58.100 0.194 0.000 1.025 151 Y CB 0.924 39.427 38.460 0.073 0.000 1.275 151 Y HN 0.205 nan 8.280 nan 0.000 0.460 152 R N 1.826 122.468 120.500 0.236 0.000 2.623 152 R HA 0.474 4.821 4.340 0.011 0.000 0.271 152 R C -0.357 176.113 176.300 0.283 0.000 1.043 152 R CA -0.032 56.169 56.100 0.168 0.000 1.083 152 R CB 0.783 31.145 30.300 0.103 0.000 0.974 152 R HN 0.727 nan 8.270 nan 0.000 0.436 153 V N -0.858 119.262 119.914 0.342 0.000 3.141 153 V HA 0.887 5.014 4.120 0.011 0.000 0.312 153 V C 0.615 177.051 176.094 0.571 0.000 1.157 153 V CA -0.118 62.504 62.300 0.536 0.000 1.041 153 V CB 1.290 33.330 31.823 0.362 0.000 1.071 153 V HN 0.986 nan 8.190 nan 0.000 0.441 154 G N 1.986 111.159 108.800 0.621 0.000 2.552 154 G HA2 -0.267 3.700 3.960 0.011 0.000 0.265 154 G HA3 -0.267 3.700 3.960 0.011 0.000 0.265 154 G C 1.023 176.075 174.900 0.254 0.000 1.234 154 G CA 1.323 46.702 45.100 0.464 0.000 0.944 154 G HN 2.400 nan 8.290 nan 0.000 0.568 155 T N -1.692 112.733 114.554 -0.216 0.000 2.720 155 T HA -0.079 4.278 4.350 0.011 0.000 0.268 155 T C 2.155 176.720 174.700 -0.224 0.000 1.037 155 T CA 2.613 64.334 62.100 -0.632 0.000 1.144 155 T CB -0.428 67.917 68.868 -0.872 0.000 0.864 155 T HN 0.607 nan 8.240 nan 0.000 0.444 156 F N 2.221 122.219 119.950 0.081 0.000 2.161 156 F HA 0.197 4.730 4.527 0.011 0.000 0.300 156 F C 2.779 178.576 175.800 -0.004 0.000 1.089 156 F CA 0.924 58.930 58.000 0.010 0.000 1.282 156 F CB -0.930 38.053 39.000 -0.028 0.000 1.010 156 F HN 0.388 nan 8.300 nan 0.000 0.485 157 G N -2.186 106.700 108.800 0.142 0.000 2.656 157 G HA2 0.017 3.984 3.960 0.011 0.000 0.211 157 G HA3 0.017 3.984 3.960 0.011 0.000 0.211 157 G C 0.926 175.400 174.900 -0.711 0.000 1.137 157 G CA 0.242 45.176 45.100 -0.278 0.000 0.802 157 G HN 0.346 nan 8.290 nan 0.000 0.527 158 F N -0.680 119.354 119.950 0.141 0.000 2.925 158 F HA 0.432 4.966 4.527 0.011 0.000 0.355 158 F C 0.505 176.373 175.800 0.114 0.000 1.073 158 F CA -0.961 57.102 58.000 0.105 0.000 1.127 158 F CB 0.371 39.444 39.000 0.122 0.000 1.123 158 F HN -0.092 nan 8.300 nan 0.000 0.551 159 L N 2.129 123.400 121.223 0.080 0.000 2.513 159 L HA 0.505 4.851 4.340 0.011 0.000 0.272 159 L C -0.058 176.774 176.870 -0.065 0.000 1.187 159 L CA 0.041 54.827 54.840 -0.091 0.000 0.895 159 L CB 0.420 42.141 42.059 -0.563 0.000 1.147 159 L HN 0.119 nan 8.230 nan 0.000 0.483 160 A N 6.358 129.180 122.820 0.003 0.000 2.398 160 A HA 0.628 4.955 4.320 0.011 0.000 0.301 160 A C -1.097 176.462 177.584 -0.043 0.000 1.041 160 A CA -0.592 51.433 52.037 -0.021 0.000 0.711 160 A CB 1.251 20.272 19.000 0.036 0.000 1.240 160 A HN 0.704 nan 8.150 nan 0.000 0.420 161 L N 3.492 124.674 121.223 -0.068 0.000 2.360 161 L HA 0.319 4.665 4.340 0.011 0.000 0.265 161 L C -2.416 174.438 176.870 -0.025 0.000 1.066 161 L CA -1.832 52.978 54.840 -0.050 0.000 0.929 161 L CB 1.377 43.394 42.059 -0.071 0.000 1.306 161 L HN 0.408 nan 8.230 nan 0.000 0.434 162 P HA 0.093 nan 4.420 nan 0.000 0.264 162 P C 0.929 178.228 177.300 -0.002 0.000 1.193 162 P CA 0.639 63.737 63.100 -0.002 0.000 0.763 162 P CB 1.025 32.724 31.700 -0.000 0.000 0.810 163 G N 1.909 110.711 108.800 0.004 0.000 2.234 163 G HA2 -0.240 3.727 3.960 0.011 0.000 0.235 163 G HA3 -0.240 3.727 3.960 0.011 0.000 0.235 163 G C 0.444 175.346 174.900 0.003 0.000 0.997 163 G CA 0.226 45.329 45.100 0.005 0.000 0.623 163 G HN 0.781 nan 8.290 nan 0.000 0.514 164 S N -0.111 115.588 115.700 -0.001 0.000 2.600 164 S HA 0.598 5.075 4.470 0.011 0.000 0.265 164 S C 1.257 175.862 174.600 0.008 0.000 1.325 164 S CA 0.464 58.663 58.200 -0.002 0.000 1.002 164 S CB 1.930 65.121 63.200 -0.014 0.000 0.921 164 S HN 0.439 nan 8.310 nan 0.000 0.554 165 R N 0.236 120.743 120.500 0.012 0.000 2.100 165 R HA 0.020 4.367 4.340 0.011 0.000 0.220 165 R C 1.394 177.711 176.300 0.028 0.000 1.091 165 R CA 1.237 57.349 56.100 0.020 0.000 0.986 165 R CB -0.260 30.052 30.300 0.020 0.000 0.888 165 R HN 0.823 nan 8.270 nan 0.000 0.444 166 E N -0.599 119.617 120.200 0.027 0.000 2.318 166 E HA 0.094 4.451 4.350 0.011 0.000 0.193 166 E C -0.074 176.566 176.600 0.066 0.000 0.998 166 E CA 0.700 57.129 56.400 0.048 0.000 0.859 166 E CB 0.794 30.522 29.700 0.047 0.000 0.812 166 E HN 0.222 nan 8.360 nan 0.000 0.492 167 A N 1.190 124.020 122.820 0.017 0.000 3.266 167 A HA 0.288 4.614 4.320 0.011 0.000 0.310 167 A C -2.139 175.438 177.584 -0.011 0.000 1.066 167 A CA -1.005 51.026 52.037 -0.010 0.000 0.839 167 A CB 0.470 19.368 19.000 -0.170 0.000 1.192 167 A HN -0.077 nan 8.150 nan 0.000 0.496 168 P HA 0.142 nan 4.420 nan 0.000 0.233 168 P C 0.866 178.178 177.300 0.021 0.000 1.167 168 P CA 1.636 64.748 63.100 0.021 0.000 0.770 168 P CB 0.175 31.897 31.700 0.037 0.000 0.837 169 G N 0.870 109.680 108.800 0.016 0.000 2.690 169 G HA2 -0.165 3.801 3.960 0.011 0.000 0.686 169 G HA3 -0.165 3.801 3.960 0.011 0.000 0.686 169 G C -0.123 174.771 174.900 -0.008 0.000 1.277 169 G CA -0.321 44.792 45.100 0.021 0.000 0.799 169 G HN 0.127 nan 8.290 nan 0.000 0.613 170 N N -2.320 116.367 118.700 -0.022 0.000 2.800 170 N HA -0.276 4.471 4.740 0.011 0.000 0.250 170 N C 1.845 177.204 175.510 -0.251 0.000 1.078 170 N CA 2.375 55.347 53.050 -0.130 0.000 0.804 170 N CB -1.680 36.679 38.487 -0.213 0.000 1.135 170 N HN 1.914 nan 8.380 nan 0.000 0.565 171 V N -2.705 117.059 119.914 -0.250 0.000 2.626 171 V HA 0.034 4.161 4.120 0.011 0.000 0.252 171 V C 2.321 178.281 176.094 -0.225 0.000 1.067 171 V CA 2.237 64.438 62.300 -0.164 0.000 1.081 171 V CB -0.869 30.910 31.823 -0.075 0.000 0.686 171 V HN 0.264 nan 8.190 nan 0.000 0.468 172 G N 0.516 108.985 108.800 -0.553 0.000 2.432 172 G HA2 -0.158 3.809 3.960 0.011 0.000 0.219 172 G HA3 -0.158 3.809 3.960 0.011 0.000 0.219 172 G C 1.547 176.396 174.900 -0.086 0.000 1.135 172 G CA 1.205 46.099 45.100 -0.344 0.000 0.767 172 G HN 0.548 nan 8.290 nan 0.000 0.550 173 L N -0.266 120.853 121.223 -0.173 0.000 2.156 173 L HA 0.124 4.471 4.340 0.011 0.000 0.208 173 L C 2.753 179.653 176.870 0.049 0.000 1.095 173 L CA 0.247 54.973 54.840 -0.191 0.000 0.770 173 L CB -0.216 41.397 42.059 -0.743 0.000 0.914 173 L HN 0.180 nan 8.230 nan 0.000 0.439 174 L N -0.621 120.632 121.223 0.051 0.000 2.156 174 L HA -0.165 4.182 4.340 0.011 0.000 0.208 174 L C 2.125 179.115 176.870 0.200 0.000 1.095 174 L CA 0.727 55.686 54.840 0.198 0.000 0.770 174 L CB -0.513 41.637 42.059 0.151 0.000 0.914 174 L HN 0.269 nan 8.230 nan 0.000 0.439 175 D N 0.017 120.524 120.400 0.178 0.000 2.097 175 D HA -0.204 4.442 4.640 0.011 0.000 0.195 175 D C 2.231 178.690 176.300 0.265 0.000 0.989 175 D CA 1.168 55.353 54.000 0.309 0.000 0.827 175 D CB -0.230 40.766 40.800 0.327 0.000 0.966 175 D HN 0.363 nan 8.370 nan 0.000 0.456 176 Q N 0.197 120.083 119.800 0.142 0.000 2.077 176 Q HA -0.175 4.172 4.340 0.011 0.000 0.206 176 Q C 2.312 178.295 176.000 -0.028 0.000 0.989 176 Q CA 1.275 57.082 55.803 0.006 0.000 0.853 176 Q CB -0.114 28.634 28.738 0.016 0.000 0.907 176 Q HN 0.203 nan 8.270 nan 0.000 0.418 177 R N 0.454 121.035 120.500 0.136 0.000 2.096 177 R HA -0.170 4.177 4.340 0.011 0.000 0.235 177 R C 2.201 178.551 176.300 0.084 0.000 1.127 177 R CA 0.962 57.129 56.100 0.111 0.000 0.968 177 R CB -0.210 30.265 30.300 0.291 0.000 0.861 177 R HN 0.212 nan 8.270 nan 0.000 0.440 178 L N 0.843 122.150 121.223 0.139 0.000 2.046 178 L HA -0.078 4.269 4.340 0.011 0.000 0.208 178 L C 2.283 179.198 176.870 0.075 0.000 1.077 178 L CA 2.111 57.062 54.840 0.186 0.000 0.747 178 L CB -0.711 41.554 42.059 0.342 0.000 0.896 178 L HN 0.263 nan 8.230 nan 0.000 0.432 179 A N -0.744 121.916 122.820 -0.267 0.000 1.933 179 A HA -0.157 4.169 4.320 0.011 0.000 0.218 179 A C 2.225 179.755 177.584 -0.091 0.000 1.175 179 A CA 1.812 53.537 52.037 -0.521 0.000 0.628 179 A CB -0.775 17.684 19.000 -0.901 0.000 0.814 179 A HN 0.493 nan 8.150 nan 0.000 0.444 180 L N -1.078 120.104 121.223 -0.068 0.000 2.093 180 L HA -0.241 4.106 4.340 0.011 0.000 0.208 180 L C 2.821 179.744 176.870 0.088 0.000 1.085 180 L CA 1.579 56.420 54.840 0.003 0.000 0.755 180 L CB -0.788 41.231 42.059 -0.066 0.000 0.904 180 L HN 0.504 nan 8.230 nan 0.000 0.435 181 Q N -1.020 118.841 119.800 0.103 0.000 2.079 181 Q HA -0.248 4.098 4.340 0.011 0.000 0.200 181 Q C 2.047 178.144 176.000 0.162 0.000 0.974 181 Q CA 1.869 57.743 55.803 0.118 0.000 0.840 181 Q CB -0.264 28.546 28.738 0.120 0.000 0.898 181 Q HN 0.532 nan 8.270 nan 0.000 0.430 182 W N 0.516 121.830 121.300 0.024 0.000 2.338 182 W HA -0.231 4.435 4.660 0.011 0.000 0.304 182 W C 1.817 178.366 176.519 0.051 0.000 1.212 182 W CA 1.313 58.689 57.345 0.052 0.000 1.264 182 W CB -0.050 29.441 29.460 0.050 0.000 1.142 182 W HN -0.142 nan 8.180 nan 0.000 0.512 183 V N 0.826 120.976 119.914 0.393 0.000 2.343 183 V HA -0.335 3.791 4.120 0.011 0.000 0.247 183 V C 2.539 178.666 176.094 0.055 0.000 1.051 183 V CA 2.009 64.465 62.300 0.260 0.000 1.036 183 V CB -0.996 30.984 31.823 0.262 0.000 0.654 183 V HN 0.204 nan 8.190 nan 0.000 0.451 184 Q N -0.154 119.682 119.800 0.059 0.000 2.096 184 Q HA -0.269 4.078 4.340 0.011 0.000 0.204 184 Q C 2.255 178.229 176.000 -0.043 0.000 0.982 184 Q CA 2.207 58.026 55.803 0.027 0.000 0.850 184 Q CB -0.255 28.507 28.738 0.039 0.000 0.901 184 Q HN 0.823 nan 8.270 nan 0.000 0.422 185 E N -0.090 120.045 120.200 -0.108 0.000 2.112 185 E HA -0.086 4.271 4.350 0.011 0.000 0.190 185 E C 1.279 177.724 176.600 -0.259 0.000 0.979 185 E CA 0.918 57.218 56.400 -0.168 0.000 0.814 185 E CB 0.271 29.866 29.700 -0.175 0.000 0.762 185 E HN 0.264 nan 8.360 nan 0.000 0.460 186 N N -0.241 118.196 118.700 -0.439 0.000 2.273 186 N HA 0.003 4.750 4.740 0.011 0.000 0.192 186 N C 1.436 176.819 175.510 -0.212 0.000 1.132 186 N CA 0.089 52.828 53.050 -0.518 0.000 0.887 186 N CB 0.334 38.102 38.487 -1.198 0.000 1.048 186 N HN 0.147 nan 8.380 nan 0.000 0.490 187 I N 2.228 122.741 120.570 -0.094 0.000 2.614 187 I HA -0.076 4.100 4.170 0.011 0.000 0.258 187 I C 2.088 178.320 176.117 0.191 0.000 1.189 187 I CA 0.486 61.883 61.300 0.162 0.000 1.462 187 I CB -0.158 37.929 38.000 0.144 0.000 1.092 187 I HN 0.035 nan 8.210 nan 0.000 0.442 188 A N 0.247 123.102 122.820 0.058 0.000 2.019 188 A HA -0.097 4.229 4.320 0.011 0.000 0.219 188 A C 2.467 180.044 177.584 -0.012 0.000 1.164 188 A CA 1.436 53.489 52.037 0.027 0.000 0.644 188 A CB -1.002 17.989 19.000 -0.014 0.000 0.805 188 A HN 0.464 nan 8.150 nan 0.000 0.449 189 A N -1.406 121.366 122.820 -0.080 0.000 2.070 189 A HA 0.047 4.374 4.320 0.011 0.000 0.220 189 A C 1.493 178.834 177.584 -0.405 0.000 1.159 189 A CA 1.234 53.102 52.037 -0.281 0.000 0.656 189 A CB -0.609 18.121 19.000 -0.451 0.000 0.800 189 A HN 0.510 nan 8.150 nan 0.000 0.453 190 F N -1.464 118.446 119.950 -0.067 0.000 2.695 190 F HA 0.398 4.931 4.527 0.011 0.000 0.303 190 F C 1.720 177.538 175.800 0.030 0.000 1.091 190 F CA 0.468 58.451 58.000 -0.029 0.000 1.300 190 F CB 0.358 39.355 39.000 -0.004 0.000 1.071 190 F HN 0.314 nan 8.300 nan 0.000 0.578 191 G N 0.315 109.203 108.800 0.146 0.000 2.157 191 G HA2 -0.172 3.794 3.960 0.011 0.000 0.239 191 G HA3 -0.172 3.794 3.960 0.011 0.000 0.239 191 G C 0.598 175.569 174.900 0.119 0.000 0.982 191 G CA -0.271 44.894 45.100 0.109 0.000 0.650 191 G HN 0.716 nan 8.290 nan 0.000 0.527 192 G N -0.546 108.346 108.800 0.152 0.000 2.448 192 G HA2 0.488 4.455 3.960 0.011 0.000 0.285 192 G HA3 0.488 4.455 3.960 0.011 0.000 0.285 192 G C -0.808 174.143 174.900 0.085 0.000 1.176 192 G CA 0.237 45.414 45.100 0.129 0.000 0.852 192 G HN 0.216 nan 8.290 nan 0.000 0.530 193 D N 1.382 121.821 120.400 0.066 0.000 2.412 193 D HA 0.304 4.951 4.640 0.011 0.000 0.224 193 D C -1.245 175.083 176.300 0.047 0.000 1.093 193 D CA -2.387 51.634 54.000 0.034 0.000 0.850 193 D CB 2.006 42.808 40.800 0.004 0.000 1.046 193 D HN 0.041 nan 8.370 nan 0.000 0.507 194 P HA -0.060 nan 4.420 nan 0.000 0.226 194 P C 1.255 178.639 177.300 0.141 0.000 1.153 194 P CA 0.633 63.792 63.100 0.099 0.000 0.777 194 P CB 0.163 31.905 31.700 0.070 0.000 0.794 195 M N -1.165 118.443 119.600 0.013 0.000 2.618 195 M HA 0.058 4.545 4.480 0.011 0.000 0.240 195 M C 0.644 176.591 176.300 -0.588 0.000 1.123 195 M CA 0.596 55.798 55.300 -0.163 0.000 1.060 195 M CB 0.003 32.533 32.600 -0.117 0.000 1.535 195 M HN -0.163 nan 8.290 nan 0.000 0.507 196 S N 0.892 116.420 115.700 -0.286 0.000 2.383 196 S HA 0.455 4.932 4.470 0.011 0.000 0.196 196 S C -1.072 173.555 174.600 0.045 0.000 1.364 196 S CA -0.567 57.489 58.200 -0.240 0.000 1.212 196 S CB 0.537 63.647 63.200 -0.150 0.000 1.171 196 S HN -0.008 nan 8.310 nan 0.000 0.456 197 V N 4.197 124.292 119.914 0.301 0.000 2.443 197 V HA 0.543 4.669 4.120 0.011 0.000 0.293 197 V C -0.125 176.176 176.094 0.344 0.000 1.021 197 V CA -0.533 61.968 62.300 0.335 0.000 0.848 197 V CB 1.863 33.907 31.823 0.369 0.000 0.998 197 V HN 0.736 nan 8.190 nan 0.000 0.424 198 T N 6.403 121.103 114.554 0.244 0.000 2.779 198 T HA 0.624 4.981 4.350 0.011 0.000 0.280 198 T C -0.232 174.626 174.700 0.264 0.000 0.987 198 T CA -0.366 61.882 62.100 0.247 0.000 0.966 198 T CB 1.024 69.987 68.868 0.159 0.000 0.933 198 T HN 0.353 nan 8.240 nan 0.000 0.442 199 L N 4.662 126.009 121.223 0.207 0.000 2.350 199 L HA 0.699 5.046 4.340 0.011 0.000 0.275 199 L C -0.429 176.661 176.870 0.366 0.000 1.099 199 L CA -0.863 54.069 54.840 0.154 0.000 0.808 199 L CB 0.402 42.338 42.059 -0.206 0.000 1.149 199 L HN 0.634 nan 8.230 nan 0.000 0.442 200 F N 0.370 120.397 119.950 0.127 0.000 2.601 200 F HA 0.962 5.496 4.527 0.011 0.000 0.309 200 F C -0.315 175.494 175.800 0.015 0.000 1.089 200 F CA -1.358 56.765 58.000 0.206 0.000 0.940 200 F CB 1.604 40.862 39.000 0.430 0.000 1.273 200 F HN 0.476 nan 8.300 nan 0.000 0.450 201 G N 1.081 109.790 108.800 -0.152 0.000 2.623 201 G HA2 0.505 4.471 3.960 0.011 0.000 0.290 201 G HA3 0.505 4.471 3.960 0.011 0.000 0.290 201 G C -2.534 172.193 174.900 -0.288 0.000 1.437 201 G CA -0.790 43.835 45.100 -0.791 0.000 0.798 201 G HN 0.876 nan 8.290 nan 0.000 0.488 202 E N 0.180 120.157 120.200 -0.372 0.000 2.288 202 E HA 0.627 4.984 4.350 0.011 0.000 0.268 202 E C 0.617 177.150 176.600 -0.112 0.000 0.885 202 E CA 0.249 56.628 56.400 -0.035 0.000 0.767 202 E CB 2.250 32.056 29.700 0.176 0.000 1.220 202 E HN 0.877 nan 8.360 nan 0.000 0.427 203 S N 2.607 118.309 115.700 0.004 0.000 4.114 203 S HA -0.398 4.079 4.470 0.011 0.000 0.618 203 S C 1.478 176.148 174.600 0.116 0.000 1.937 203 S CA 2.277 60.546 58.200 0.115 0.000 4.228 203 S CB -1.616 61.584 63.200 0.001 0.000 0.216 203 S HN 0.991 nan 8.310 nan 0.000 0.528 204 A N 1.028 123.769 122.820 -0.131 0.000 2.024 204 A HA 0.160 4.487 4.320 0.011 0.000 0.220 204 A C 2.437 179.733 177.584 -0.479 0.000 1.164 204 A CA 2.379 54.134 52.037 -0.469 0.000 0.643 204 A CB -1.502 16.817 19.000 -1.134 0.000 0.806 204 A HN 1.550 nan 8.150 nan 0.000 0.451 205 G N -0.715 107.865 108.800 -0.366 0.000 2.403 205 G HA2 0.079 4.046 3.960 0.011 0.000 0.216 205 G HA3 0.079 4.046 3.960 0.011 0.000 0.216 205 G C 1.683 176.403 174.900 -0.300 0.000 1.154 205 G CA 1.194 46.036 45.100 -0.429 0.000 0.784 205 G HN 0.728 nan 8.290 nan 0.000 0.538 206 A N 1.307 124.029 122.820 -0.164 0.000 1.873 206 A HA 0.335 4.661 4.320 0.011 0.000 0.215 206 A C 2.832 180.400 177.584 -0.026 0.000 1.186 206 A CA 2.080 54.086 52.037 -0.052 0.000 0.616 206 A CB -0.882 18.147 19.000 0.048 0.000 0.823 206 A HN 0.747 nan 8.150 nan 0.000 0.442 207 A N -0.232 122.598 122.820 0.018 0.000 1.917 207 A HA -0.151 4.176 4.320 0.011 0.000 0.219 207 A C 2.453 180.043 177.584 0.010 0.000 1.182 207 A CA 2.349 54.390 52.037 0.007 0.000 0.633 207 A CB -0.992 18.054 19.000 0.077 0.000 0.819 207 A HN 0.471 nan 8.150 nan 0.000 0.448 208 S N -0.545 115.156 115.700 0.002 0.000 2.356 208 S HA -0.143 4.334 4.470 0.011 0.000 0.223 208 S C 1.903 176.454 174.600 -0.083 0.000 1.032 208 S CA 1.394 59.555 58.200 -0.066 0.000 1.005 208 S CB -0.623 62.480 63.200 -0.161 0.000 0.867 208 S HN 0.352 nan 8.310 nan 0.000 0.449 209 V N 1.800 121.683 119.914 -0.053 0.000 2.282 209 V HA -0.222 3.904 4.120 0.011 0.000 0.249 209 V C 2.620 178.710 176.094 -0.006 0.000 1.057 209 V CA 2.088 64.369 62.300 -0.031 0.000 1.032 209 V CB -1.516 30.267 31.823 -0.068 0.000 0.645 209 V HN 0.615 nan 8.190 nan 0.000 0.447 210 G N -1.216 107.572 108.800 -0.019 0.000 2.432 210 G HA2 -0.258 3.708 3.960 0.011 0.000 0.219 210 G HA3 -0.258 3.708 3.960 0.011 0.000 0.219 210 G C 1.599 176.510 174.900 0.019 0.000 1.135 210 G CA 0.981 46.075 45.100 -0.010 0.000 0.767 210 G HN 0.458 nan 8.290 nan 0.000 0.550 211 M N -0.170 119.422 119.600 -0.012 0.000 2.254 211 M HA 0.028 4.515 4.480 0.011 0.000 0.265 211 M C 2.273 178.637 176.300 0.108 0.000 1.066 211 M CA 0.765 56.087 55.300 0.036 0.000 1.123 211 M CB -0.220 32.362 32.600 -0.030 0.000 1.388 211 M HN 0.204 nan 8.290 nan 0.000 0.425 212 H N 0.062 119.246 119.070 0.190 0.000 2.423 212 H HA -0.020 4.543 4.556 0.011 0.000 0.297 212 H C 2.102 177.615 175.328 0.308 0.000 1.075 212 H CA 1.397 57.559 56.048 0.190 0.000 1.342 212 H CB -0.328 29.425 29.762 -0.016 0.000 1.395 212 H HN 0.419 nan 8.280 nan 0.000 0.530 213 I N 0.667 121.476 120.570 0.399 0.000 2.286 213 I HA -0.235 3.942 4.170 0.011 0.000 0.248 213 I C 1.848 178.134 176.117 0.282 0.000 1.115 213 I CA 1.088 62.629 61.300 0.401 0.000 1.392 213 I CB -0.096 38.050 38.000 0.243 0.000 1.065 213 I HN 0.118 nan 8.210 nan 0.000 0.418 214 L N -0.906 120.438 121.223 0.201 0.000 2.592 214 L HA 0.116 4.463 4.340 0.011 0.000 0.227 214 L C 0.944 177.861 176.870 0.079 0.000 1.127 214 L CA 0.028 54.970 54.840 0.170 0.000 0.884 214 L CB 0.069 42.209 42.059 0.135 0.000 1.065 214 L HN 0.009 nan 8.230 nan 0.000 0.457 215 S N -0.262 115.449 115.700 0.019 0.000 2.474 215 S HA 0.370 4.846 4.470 0.011 0.000 0.321 215 S C 0.963 175.490 174.600 -0.121 0.000 1.080 215 S CA -0.595 57.498 58.200 -0.179 0.000 1.106 215 S CB 1.187 63.989 63.200 -0.664 0.000 0.984 215 S HN 0.156 nan 8.310 nan 0.000 0.464 216 L N 5.769 126.929 121.223 -0.105 0.000 2.012 216 L HA -0.034 4.313 4.340 0.011 0.000 0.210 216 L C -0.751 176.076 176.870 -0.072 0.000 1.073 216 L CA 1.504 56.301 54.840 -0.071 0.000 0.748 216 L CB -1.046 40.973 42.059 -0.067 0.000 0.891 216 L HN 0.512 nan 8.230 nan 0.000 0.431 217 P HA -0.110 nan 4.420 nan 0.000 0.219 217 P C 1.569 178.858 177.300 -0.019 0.000 1.146 217 P CA 1.200 64.260 63.100 -0.066 0.000 0.808 217 P CB 0.074 31.722 31.700 -0.087 0.000 0.779 218 S N -0.896 114.810 115.700 0.011 0.000 2.436 218 S HA -0.028 4.449 4.470 0.011 0.000 0.228 218 S C 1.855 176.567 174.600 0.188 0.000 1.014 218 S CA 0.593 58.896 58.200 0.171 0.000 0.950 218 S CB -0.405 63.020 63.200 0.375 0.000 0.784 218 S HN 0.082 nan 8.310 nan 0.000 0.504 219 R N 1.933 122.452 120.500 0.031 0.000 2.120 219 R HA -0.010 4.337 4.340 0.011 0.000 0.234 219 R C 2.348 178.439 176.300 -0.349 0.000 1.123 219 R CA 1.395 57.362 56.100 -0.220 0.000 0.975 219 R CB -1.186 29.023 30.300 -0.153 0.000 0.866 219 R HN 0.585 nan 8.270 nan 0.000 0.446 220 S N -0.049 115.545 115.700 -0.176 0.000 2.607 220 S HA 0.053 4.530 4.470 0.011 0.000 0.224 220 S C 1.702 176.206 174.600 -0.160 0.000 0.969 220 S CA 0.337 58.435 58.200 -0.170 0.000 0.927 220 S CB -0.160 62.989 63.200 -0.085 0.000 0.772 220 S HN 0.223 nan 8.310 nan 0.000 0.533 221 L N 0.404 121.575 121.223 -0.086 0.000 2.640 221 L HA 0.490 4.836 4.340 0.011 0.000 0.230 221 L C 0.038 176.963 176.870 0.092 0.000 1.123 221 L CA -0.376 54.481 54.840 0.029 0.000 0.900 221 L CB -0.045 42.074 42.059 0.099 0.000 1.146 221 L HN 0.515 nan 8.230 nan 0.000 0.484 222 F N -4.328 115.445 119.950 -0.295 0.000 2.741 222 F HA 0.448 4.981 4.527 0.010 0.000 0.313 222 F C 0.284 175.766 175.800 -0.529 0.000 1.153 222 F CA -1.011 56.799 58.000 -0.317 0.000 0.931 222 F CB 0.799 39.756 39.000 -0.073 0.000 1.335 222 F HN -0.166 nan 8.300 nan 0.000 0.460 223 H N -0.579 118.525 119.070 0.057 0.000 3.091 223 H HA 0.460 5.022 4.556 0.011 0.000 0.249 223 H C -0.098 175.249 175.328 0.033 0.000 0.985 223 H CA -0.007 56.005 56.048 -0.061 0.000 1.177 223 H CB 1.049 30.794 29.762 -0.028 0.000 1.456 223 H HN 0.430 nan 8.280 nan 0.000 0.467 224 R N 0.087 120.793 120.500 0.343 0.000 2.764 224 R HA 0.713 5.059 4.340 0.011 0.000 0.270 224 R C -1.493 175.083 176.300 0.461 0.000 1.014 224 R CA -0.676 55.595 56.100 0.284 0.000 0.904 224 R CB 2.897 33.175 30.300 -0.037 0.000 1.236 224 R HN 0.143 nan 8.270 nan 0.000 0.466 225 A N 1.003 124.109 122.820 0.476 0.000 2.520 225 A HA 0.637 4.964 4.320 0.011 0.000 0.298 225 A C -1.496 176.244 177.584 0.260 0.000 1.051 225 A CA -0.586 51.654 52.037 0.338 0.000 0.690 225 A CB 1.857 21.016 19.000 0.265 0.000 1.281 225 A HN 0.292 nan 8.150 nan 0.000 0.402 226 V N 2.337 122.363 119.914 0.187 0.000 2.444 226 V HA 0.505 4.632 4.120 0.011 0.000 0.294 226 V C -1.050 175.138 176.094 0.158 0.000 1.022 226 V CA -0.332 62.017 62.300 0.081 0.000 0.850 226 V CB 1.205 33.083 31.823 0.092 0.000 0.992 226 V HN 0.680 nan 8.190 nan 0.000 0.426 227 L N 5.304 126.589 121.223 0.103 0.000 2.318 227 L HA 0.500 4.847 4.340 0.011 0.000 0.277 227 L C 0.069 177.039 176.870 0.168 0.000 1.008 227 L CA 0.078 54.978 54.840 0.101 0.000 0.846 227 L CB 1.435 43.508 42.059 0.024 0.000 1.220 227 L HN 0.628 nan 8.230 nan 0.000 0.423 228 Q N 2.046 121.999 119.800 0.255 0.000 2.360 228 Q HA 0.412 4.759 4.340 0.011 0.000 0.254 228 Q C 0.214 176.344 176.000 0.218 0.000 0.975 228 Q CA -0.481 55.525 55.803 0.339 0.000 0.912 228 Q CB 1.140 30.167 28.738 0.481 0.000 1.212 228 Q HN 0.621 nan 8.270 nan 0.000 0.452 229 S N 1.041 116.858 115.700 0.196 0.000 3.614 229 S HA -0.170 4.307 4.470 0.011 0.000 0.360 229 S C 0.056 174.850 174.600 0.323 0.000 1.023 229 S CA 0.532 58.879 58.200 0.244 0.000 1.114 229 S CB -1.209 62.149 63.200 0.263 0.000 0.907 229 S HN 0.979 nan 8.310 nan 0.000 0.470 230 G N -0.354 108.588 108.800 0.237 0.000 2.616 230 G HA2 0.663 4.629 3.960 0.011 0.000 0.294 230 G HA3 0.663 4.629 3.960 0.011 0.000 0.294 230 G C -0.913 174.050 174.900 0.106 0.000 1.489 230 G CA 0.169 45.451 45.100 0.303 0.000 0.836 230 G HN 0.953 nan 8.290 nan 0.000 0.527 231 T N -1.103 113.452 114.554 0.001 0.000 2.889 231 T HA 0.734 5.091 4.350 0.011 0.000 0.315 231 T C -2.366 172.185 174.700 -0.249 0.000 1.291 231 T CA -1.310 60.715 62.100 -0.125 0.000 1.028 231 T CB 3.094 71.874 68.868 -0.147 0.000 1.235 231 T HN 0.288 nan 8.240 nan 0.000 0.491 232 P HA -0.006 nan 4.420 nan 0.000 0.221 232 P C 0.314 177.458 177.300 -0.260 0.000 1.155 232 P CA 0.578 63.553 63.100 -0.208 0.000 0.812 232 P CB -0.085 31.547 31.700 -0.113 0.000 0.801 233 N N 0.941 119.506 118.700 -0.224 0.000 2.326 233 N HA 0.250 4.997 4.740 0.011 0.000 0.239 233 N C 0.796 176.098 175.510 -0.347 0.000 1.301 233 N CA 0.857 53.770 53.050 -0.229 0.000 0.909 233 N CB -0.050 38.344 38.487 -0.156 0.000 1.156 233 N HN 0.239 nan 8.380 nan 0.000 0.462 234 G N -0.867 107.741 108.800 -0.320 0.000 2.541 234 G HA2 -0.103 3.863 3.960 0.011 0.000 0.686 234 G HA3 -0.103 3.863 3.960 0.011 0.000 0.686 234 G C -2.263 172.375 174.900 -0.436 0.000 1.286 234 G CA -0.237 44.618 45.100 -0.408 0.000 0.894 234 G HN 0.541 nan 8.290 nan 0.000 0.575 235 P HA 0.118 nan 4.420 nan 0.000 0.236 235 P C 1.363 178.570 177.300 -0.156 0.000 1.177 235 P CA 1.864 64.801 63.100 -0.273 0.000 0.773 235 P CB -0.033 31.459 31.700 -0.346 0.000 0.878 236 W N -1.699 119.484 121.300 -0.196 0.000 2.873 236 W HA 0.556 5.222 4.660 0.010 0.000 0.282 236 W C 1.108 177.680 176.519 0.089 0.000 1.118 236 W CA 0.443 57.750 57.345 -0.064 0.000 1.480 236 W CB -0.755 28.683 29.460 -0.038 0.000 0.954 236 W HN -0.170 nan 8.180 nan 0.000 0.591 237 A N 1.941 124.445 122.820 -0.527 0.000 2.067 237 A HA 0.126 4.453 4.320 0.011 0.000 0.217 237 A C 1.166 178.602 177.584 -0.247 0.000 1.156 237 A CA 1.835 53.626 52.037 -0.410 0.000 0.683 237 A CB -0.785 17.705 19.000 -0.851 0.000 0.808 237 A HN 0.243 nan 8.150 nan 0.000 0.455 238 T N -3.201 111.216 114.554 -0.229 0.000 2.883 238 T HA 0.618 4.974 4.350 0.011 0.000 0.296 238 T C -0.631 173.990 174.700 -0.131 0.000 1.117 238 T CA -0.117 61.864 62.100 -0.198 0.000 1.006 238 T CB 1.445 70.205 68.868 -0.180 0.000 1.191 238 T HN 0.880 nan 8.240 nan 0.000 0.508 239 V N -0.985 118.860 119.914 -0.115 0.000 3.001 239 V HA 0.898 5.024 4.120 0.011 0.000 0.314 239 V C 0.360 176.412 176.094 -0.068 0.000 1.099 239 V CA -0.815 61.434 62.300 -0.085 0.000 0.989 239 V CB 1.314 33.087 31.823 -0.083 0.000 1.040 239 V HN 1.380 nan 8.190 nan 0.000 0.434 240 S N 1.902 117.568 115.700 -0.056 0.000 2.589 240 S HA 0.514 4.990 4.470 0.011 0.000 0.265 240 S C 1.435 176.015 174.600 -0.034 0.000 1.342 240 S CA 0.138 58.313 58.200 -0.042 0.000 1.005 240 S CB 1.078 64.256 63.200 -0.037 0.000 0.909 240 S HN 1.963 nan 8.310 nan 0.000 0.555 241 A N 2.025 124.831 122.820 -0.024 0.000 1.908 241 A HA 0.098 4.425 4.320 0.011 0.000 0.218 241 A C 2.228 179.801 177.584 -0.018 0.000 1.181 241 A CA 1.774 53.801 52.037 -0.016 0.000 0.627 241 A CB -1.845 17.149 19.000 -0.010 0.000 0.818 241 A HN 1.162 nan 8.150 nan 0.000 0.445 242 G N -0.503 108.284 108.800 -0.021 0.000 2.418 242 G HA2 -0.240 3.726 3.960 0.011 0.000 0.217 242 G HA3 -0.240 3.726 3.960 0.011 0.000 0.217 242 G C 1.482 176.366 174.900 -0.027 0.000 1.158 242 G CA 1.382 46.469 45.100 -0.022 0.000 0.771 242 G HN 0.580 nan 8.290 nan 0.000 0.545 243 E N 0.994 121.172 120.200 -0.036 0.000 2.072 243 E HA 0.090 4.446 4.350 0.011 0.000 0.191 243 E C 2.688 179.254 176.600 -0.056 0.000 0.985 243 E CA 1.376 57.747 56.400 -0.049 0.000 0.801 243 E CB -0.601 29.064 29.700 -0.057 0.000 0.750 243 E HN 0.258 nan 8.360 nan 0.000 0.452 244 A N 1.170 123.964 122.820 -0.044 0.000 1.892 244 A HA -0.276 4.051 4.320 0.011 0.000 0.218 244 A C 2.333 179.919 177.584 0.003 0.000 1.188 244 A CA 2.154 54.179 52.037 -0.019 0.000 0.631 244 A CB -0.768 18.234 19.000 0.004 0.000 0.822 244 A HN 0.314 nan 8.150 nan 0.000 0.447 245 R N -0.662 119.834 120.500 -0.007 0.000 2.081 245 R HA -0.152 4.195 4.340 0.011 0.000 0.235 245 R C 2.464 178.759 176.300 -0.008 0.000 1.131 245 R CA 1.695 57.790 56.100 -0.008 0.000 0.960 245 R CB -0.309 29.982 30.300 -0.014 0.000 0.856 245 R HN 0.562 nan 8.270 nan 0.000 0.436 246 R N 0.317 120.807 120.500 -0.018 0.000 2.073 246 R HA -0.121 4.226 4.340 0.011 0.000 0.234 246 R C 2.265 178.555 176.300 -0.016 0.000 1.134 246 R CA 1.763 57.851 56.100 -0.020 0.000 0.952 246 R CB -0.081 30.201 30.300 -0.029 0.000 0.850 246 R HN 0.256 nan 8.270 nan 0.000 0.433 247 R N -0.266 120.212 120.500 -0.037 0.000 2.075 247 R HA -0.058 4.288 4.340 0.011 0.000 0.232 247 R C 2.335 178.702 176.300 0.110 0.000 1.126 247 R CA 1.296 57.362 56.100 -0.057 0.000 0.963 247 R CB -0.296 29.831 30.300 -0.287 0.000 0.858 247 R HN 0.250 nan 8.270 nan 0.000 0.435 248 A N 0.410 123.321 122.820 0.153 0.000 1.902 248 A HA -0.135 4.192 4.320 0.011 0.000 0.217 248 A C 2.146 179.748 177.584 0.032 0.000 1.181 248 A CA 1.838 53.958 52.037 0.139 0.000 0.623 248 A CB -0.701 18.321 19.000 0.037 0.000 0.818 248 A HN 0.250 nan 8.150 nan 0.000 0.443 249 T N -0.016 114.545 114.554 0.011 0.000 2.812 249 T HA -0.082 4.274 4.350 0.011 0.000 0.264 249 T C 1.832 176.532 174.700 0.001 0.000 1.042 249 T CA 1.351 63.445 62.100 -0.009 0.000 1.140 249 T CB -0.320 68.540 68.868 -0.013 0.000 0.870 249 T HN 0.285 nan 8.240 nan 0.000 0.445 250 L N 1.295 122.529 121.223 0.018 0.000 1.994 250 L HA 0.048 4.394 4.340 0.011 0.000 0.208 250 L C 2.243 179.135 176.870 0.036 0.000 1.071 250 L CA 1.527 56.381 54.840 0.024 0.000 0.745 250 L CB -1.038 41.039 42.059 0.031 0.000 0.892 250 L HN 0.203 nan 8.230 nan 0.000 0.431 251 L N -0.212 121.060 121.223 0.082 0.000 2.013 251 L HA -0.233 4.113 4.340 0.011 0.000 0.212 251 L C 2.528 179.396 176.870 -0.004 0.000 1.073 251 L CA 2.240 57.133 54.840 0.088 0.000 0.753 251 L CB -0.816 41.344 42.059 0.168 0.000 0.890 251 L HN 0.338 nan 8.230 nan 0.000 0.432 252 A N -0.450 122.355 122.820 -0.025 0.000 1.917 252 A HA -0.272 4.055 4.320 0.011 0.000 0.219 252 A C 2.388 179.942 177.584 -0.050 0.000 1.182 252 A CA 2.116 54.123 52.037 -0.050 0.000 0.633 252 A CB -0.649 18.317 19.000 -0.056 0.000 0.819 252 A HN 0.542 nan 8.150 nan 0.000 0.448 253 R N -0.739 119.737 120.500 -0.040 0.000 2.070 253 R HA -0.055 4.292 4.340 0.011 0.000 0.233 253 R C 2.092 178.346 176.300 -0.077 0.000 1.137 253 R CA 1.521 57.595 56.100 -0.043 0.000 0.945 253 R CB -0.618 29.666 30.300 -0.027 0.000 0.845 253 R HN 0.527 nan 8.270 nan 0.000 0.430 254 L N 0.983 122.147 121.223 -0.099 0.000 2.189 254 L HA -0.131 4.215 4.340 0.011 0.000 0.214 254 L C 1.953 178.581 176.870 -0.403 0.000 1.097 254 L CA 0.901 55.611 54.840 -0.217 0.000 0.764 254 L CB -0.283 41.670 42.059 -0.176 0.000 0.900 254 L HN 0.189 nan 8.230 nan 0.000 0.436 255 V N -3.993 115.764 119.914 -0.263 0.000 3.271 255 V HA 0.520 4.647 4.120 0.011 0.000 0.327 255 V C 1.118 177.163 176.094 -0.081 0.000 1.389 255 V CA 0.211 62.394 62.300 -0.195 0.000 1.156 255 V CB -0.183 31.587 31.823 -0.089 0.000 1.103 255 V HN 0.425 nan 8.190 nan 0.000 0.453 256 G N -0.144 108.611 108.800 -0.074 0.000 2.137 256 G HA2 -0.237 3.730 3.960 0.011 0.000 0.237 256 G HA3 -0.237 3.730 3.960 0.011 0.000 0.237 256 G C 0.066 174.952 174.900 -0.024 0.000 1.002 256 G CA 0.006 45.084 45.100 -0.036 0.000 0.702 256 G HN 0.733 nan 8.290 nan 0.000 0.515 257 c N 2.733 121.315 118.600 -0.030 0.000 2.842 257 c HA 0.441 5.018 4.570 0.011 0.000 0.311 257 c C -1.259 172.816 174.090 -0.025 0.000 1.312 257 c CA -1.606 54.709 56.329 -0.022 0.000 1.651 257 c CB -0.127 42.370 42.510 -0.022 0.000 1.826 257 c HN 0.492 nan 8.230 nan 0.000 0.491 258 P HA 0.205 nan 4.420 nan 0.000 0.269 258 P C -2.142 175.147 177.300 -0.018 0.000 1.209 258 P CA -0.398 62.690 63.100 -0.020 0.000 0.776 258 P CB -0.011 31.680 31.700 -0.015 0.000 0.876 266 D N 1.558 121.948 120.400 -0.017 0.000 2.149 266 D HA -0.048 4.599 4.640 0.011 0.000 0.201 266 D C 1.426 177.714 176.300 -0.022 0.000 0.972 266 D CA 1.608 55.593 54.000 -0.025 0.000 0.835 266 D CB 0.045 40.829 40.800 -0.027 0.000 0.966 266 D HN 0.592 nan 8.370 nan 0.000 0.476 267 T N 1.264 115.813 114.554 -0.010 0.000 2.635 267 T HA -0.179 4.178 4.350 0.011 0.000 0.267 267 T C 1.774 176.475 174.700 0.001 0.000 1.040 267 T CA 1.329 63.429 62.100 -0.000 0.000 1.156 267 T CB -0.251 68.620 68.868 0.004 0.000 0.863 267 T HN 0.287 nan 8.240 nan 0.000 0.430 268 E N 0.539 120.738 120.200 -0.002 0.000 2.049 268 E HA -0.147 4.209 4.350 0.011 0.000 0.198 268 E C 2.276 178.873 176.600 -0.006 0.000 1.007 268 E CA 1.141 57.540 56.400 -0.001 0.000 0.809 268 E CB -0.379 29.319 29.700 -0.004 0.000 0.749 268 E HN 0.365 nan 8.360 nan 0.000 0.450 269 L N 0.942 122.154 121.223 -0.018 0.000 2.012 269 L HA -0.224 4.123 4.340 0.011 0.000 0.210 269 L C 2.323 179.169 176.870 -0.039 0.000 1.073 269 L CA 1.371 56.191 54.840 -0.032 0.000 0.748 269 L CB -0.135 41.896 42.059 -0.047 0.000 0.891 269 L HN 0.129 nan 8.230 nan 0.000 0.431 270 I N -0.308 120.237 120.570 -0.042 0.000 2.252 270 I HA -0.244 3.933 4.170 0.011 0.000 0.245 270 I C 2.737 178.889 176.117 0.059 0.000 1.102 270 I CA 0.996 62.275 61.300 -0.035 0.000 1.385 270 I CB -0.587 37.392 38.000 -0.035 0.000 1.064 270 I HN 0.327 nan 8.210 nan 0.000 0.414 271 A N -0.160 122.686 122.820 0.043 0.000 1.902 271 A HA -0.293 4.033 4.320 0.011 0.000 0.217 271 A C 2.536 180.151 177.584 0.052 0.000 1.181 271 A CA 1.984 54.053 52.037 0.053 0.000 0.623 271 A CB -1.356 17.663 19.000 0.032 0.000 0.818 271 A HN 0.615 nan 8.150 nan 0.000 0.443 272 c N -0.528 118.092 118.600 0.033 0.000 2.429 272 c HA -0.022 4.555 4.570 0.011 0.000 0.277 272 c C 2.614 176.733 174.090 0.048 0.000 1.262 272 c CA 1.090 57.436 56.329 0.029 0.000 1.733 272 c CB -1.604 40.912 42.510 0.010 0.000 2.010 272 c HN 0.597 nan 8.230 nan 0.000 0.483 273 L N 0.369 121.629 121.223 0.061 0.000 2.081 273 L HA -0.175 4.172 4.340 0.011 0.000 0.212 273 L C 2.953 179.946 176.870 0.204 0.000 1.080 273 L CA 1.695 56.608 54.840 0.121 0.000 0.754 273 L CB -0.663 41.446 42.059 0.083 0.000 0.893 273 L HN 0.377 nan 8.230 nan 0.000 0.433 274 R N -0.596 120.027 120.500 0.205 0.000 2.189 274 R HA -0.110 4.237 4.340 0.011 0.000 0.223 274 R C 2.201 178.524 176.300 0.040 0.000 1.092 274 R CA 1.632 57.795 56.100 0.104 0.000 0.989 274 R CB -0.382 29.970 30.300 0.086 0.000 0.876 274 R HN 0.522 nan 8.270 nan 0.000 0.457 275 T N -1.493 113.088 114.554 0.045 0.000 3.088 275 T HA 0.077 4.434 4.350 0.011 0.000 0.259 275 T C 0.922 175.637 174.700 0.024 0.000 1.122 275 T CA 0.023 62.138 62.100 0.026 0.000 1.095 275 T CB 0.130 69.012 68.868 0.024 0.000 0.930 275 T HN -0.134 nan 8.240 nan 0.000 0.508 276 R N 2.624 123.145 120.500 0.035 0.000 2.441 276 R HA 0.397 4.743 4.340 0.011 0.000 0.284 276 R C -2.708 173.605 176.300 0.023 0.000 1.070 276 R CA -2.745 53.376 56.100 0.034 0.000 1.047 276 R CB -0.189 30.138 30.300 0.045 0.000 1.016 276 R HN 0.238 nan 8.270 nan 0.000 0.477 277 P HA -0.029 nan 4.420 nan 0.000 0.264 277 P C 0.311 177.600 177.300 -0.018 0.000 1.183 277 P CA 0.282 63.378 63.100 -0.006 0.000 0.763 277 P CB 0.545 32.254 31.700 0.016 0.000 0.807 278 A N 3.278 126.028 122.820 -0.117 0.000 1.927 278 A HA -0.301 4.025 4.320 0.011 0.000 0.220 278 A C 2.158 179.675 177.584 -0.112 0.000 1.185 278 A CA 2.099 54.042 52.037 -0.156 0.000 0.639 278 A CB -1.183 17.288 19.000 -0.882 0.000 0.820 278 A HN 0.550 nan 8.150 nan 0.000 0.451 279 Q N -0.200 119.519 119.800 -0.136 0.000 2.167 279 Q HA -0.137 4.210 4.340 0.011 0.000 0.202 279 Q C 1.346 177.444 176.000 0.164 0.000 0.970 279 Q CA 1.824 57.705 55.803 0.130 0.000 0.855 279 Q CB -0.320 28.532 28.738 0.191 0.000 0.911 279 Q HN 0.624 nan 8.270 nan 0.000 0.438 280 D N -0.319 120.158 120.400 0.128 0.000 2.123 280 D HA -0.163 4.484 4.640 0.011 0.000 0.196 280 D C 1.731 178.172 176.300 0.234 0.000 0.992 280 D CA 1.144 55.255 54.000 0.185 0.000 0.833 280 D CB -0.140 40.755 40.800 0.158 0.000 0.954 280 D HN 0.310 nan 8.370 nan 0.000 0.455 281 L N 0.061 121.370 121.223 0.144 0.000 2.017 281 L HA -0.136 4.210 4.340 0.011 0.000 0.208 281 L C 2.536 179.478 176.870 0.120 0.000 1.073 281 L CA 0.648 55.530 54.840 0.070 0.000 0.745 281 L CB -0.562 41.410 42.059 -0.145 0.000 0.894 281 L HN -0.036 nan 8.230 nan 0.000 0.432 282 V N -0.032 120.013 119.914 0.217 0.000 2.332 282 V HA -0.292 3.834 4.120 0.011 0.000 0.248 282 V C 2.050 178.290 176.094 0.243 0.000 1.055 282 V CA 1.921 64.404 62.300 0.304 0.000 1.038 282 V CB -0.608 31.506 31.823 0.485 0.000 0.651 282 V HN 0.429 nan 8.190 nan 0.000 0.450 283 D N -0.719 119.785 120.400 0.172 0.000 2.265 283 D HA -0.152 4.495 4.640 0.011 0.000 0.208 283 D C 1.742 177.919 176.300 -0.206 0.000 0.977 283 D CA 1.435 55.441 54.000 0.010 0.000 0.871 283 D CB -0.242 40.508 40.800 -0.084 0.000 0.925 283 D HN 0.657 nan 8.370 nan 0.000 0.485 284 H N -1.014 118.129 119.070 0.123 0.000 2.652 284 H HA 0.181 4.744 4.556 0.011 0.000 0.274 284 H C 1.537 176.856 175.328 -0.016 0.000 1.021 284 H CA -0.072 56.049 56.048 0.122 0.000 1.187 284 H CB 0.576 30.473 29.762 0.225 0.000 1.505 284 H HN 0.088 nan 8.280 nan 0.000 0.530 285 E N 0.597 120.801 120.200 0.007 0.000 2.097 285 E HA -0.221 4.136 4.350 0.011 0.000 0.196 285 E C 0.635 176.994 176.600 -0.401 0.000 1.000 285 E CA 1.444 57.764 56.400 -0.134 0.000 0.804 285 E CB -0.022 29.510 29.700 -0.280 0.000 0.740 285 E HN 0.597 nan 8.360 nan 0.000 0.454 286 W N -0.341 120.857 121.300 -0.171 0.000 3.047 286 W HA 0.027 4.694 4.660 0.011 0.000 0.250 286 W C 1.543 177.994 176.519 -0.115 0.000 1.314 286 W CA -0.061 57.160 57.345 -0.208 0.000 1.540 286 W CB 0.280 29.560 29.460 -0.301 0.000 1.127 286 W HN 0.190 nan 8.180 nan 0.000 0.679 287 H N -0.369 118.811 119.070 0.183 0.000 2.539 287 H HA 0.056 4.619 4.556 0.011 0.000 0.267 287 H C 1.907 177.285 175.328 0.083 0.000 0.982 287 H CA 0.977 57.115 56.048 0.149 0.000 1.146 287 H CB -0.453 29.420 29.762 0.185 0.000 1.382 287 H HN 0.248 nan 8.280 nan 0.000 0.577 288 V N -2.308 117.675 119.914 0.115 0.000 3.578 288 V HA 0.247 4.373 4.120 0.011 0.000 0.290 288 V C 0.719 176.785 176.094 -0.046 0.000 1.376 288 V CA -0.173 62.140 62.300 0.021 0.000 1.083 288 V CB -0.267 31.535 31.823 -0.035 0.000 0.911 288 V HN -0.025 nan 8.190 nan 0.000 0.433 289 L N 2.528 123.740 121.223 -0.018 0.000 2.416 289 L HA 0.290 4.636 4.340 0.011 0.000 0.272 289 L C -0.459 176.410 176.870 -0.002 0.000 1.161 289 L CA -1.098 53.726 54.840 -0.026 0.000 0.845 289 L CB 0.974 43.047 42.059 0.024 0.000 1.119 289 L HN 0.135 nan 8.230 nan 0.000 0.464 290 P HA -0.076 nan 4.420 nan 0.000 0.223 290 P C -0.240 177.062 177.300 0.004 0.000 1.151 290 P CA 1.009 64.103 63.100 -0.009 0.000 0.787 290 P CB 0.453 32.140 31.700 -0.021 0.000 0.788 291 Q N -1.051 118.753 119.800 0.007 0.000 2.456 291 Q HA 0.331 4.678 4.340 0.011 0.000 0.283 291 Q C -0.618 175.395 176.000 0.021 0.000 1.084 291 Q CA -0.737 55.073 55.803 0.012 0.000 0.801 291 Q CB 1.584 30.325 28.738 0.005 0.000 1.434 291 Q HN -0.051 nan 8.270 nan 0.000 0.419 292 E N 1.127 121.341 120.200 0.023 0.000 2.406 292 E HA 0.278 4.635 4.350 0.011 0.000 0.258 292 E C -1.028 175.580 176.600 0.012 0.000 1.043 292 E CA 0.086 56.500 56.400 0.024 0.000 0.929 292 E CB 0.274 29.989 29.700 0.024 0.000 0.969 292 E HN 0.589 nan 8.360 nan 0.000 0.462 293 S N 3.931 119.636 115.700 0.008 0.000 2.596 293 S HA 0.653 5.130 4.470 0.011 0.000 0.270 293 S C -0.367 174.222 174.600 -0.019 0.000 1.155 293 S CA -1.059 57.136 58.200 -0.008 0.000 0.827 293 S CB 0.893 64.082 63.200 -0.018 0.000 1.130 293 S HN 0.548 nan 8.310 nan 0.000 0.467 294 I N -2.808 117.750 120.570 -0.021 0.000 2.957 294 I HA 0.781 4.958 4.170 0.011 0.000 0.310 294 I C -0.221 175.853 176.117 -0.072 0.000 1.063 294 I CA -1.197 60.092 61.300 -0.019 0.000 1.033 294 I CB 1.025 39.061 38.000 0.061 0.000 1.230 294 I HN 0.735 nan 8.210 nan 0.000 0.447 295 F N 1.602 121.324 119.950 -0.379 0.000 3.090 295 F HA -0.189 4.345 4.527 0.011 0.000 0.282 295 F C -0.271 174.947 175.800 -0.970 0.000 0.923 295 F CA 0.653 58.165 58.000 -0.815 0.000 0.977 295 F CB -0.669 37.783 39.000 -0.913 0.000 0.954 295 F HN 0.577 nan 8.300 nan 0.000 0.695 296 R N 0.248 120.283 120.500 -0.775 0.000 2.686 296 R HA 0.656 5.002 4.340 0.011 0.000 0.283 296 R C -1.041 174.847 176.300 -0.687 0.000 0.978 296 R CA -0.587 55.116 56.100 -0.661 0.000 0.897 296 R CB 1.502 31.678 30.300 -0.206 0.000 1.192 296 R HN -0.016 nan 8.270 nan 0.000 0.457 297 F N -0.753 119.331 119.950 0.224 0.000 2.565 297 F HA 0.349 4.882 4.527 0.010 0.000 0.313 297 F C 1.425 177.179 175.800 -0.075 0.000 1.091 297 F CA -0.821 57.277 58.000 0.164 0.000 0.915 297 F CB 1.972 41.178 39.000 0.343 0.000 1.208 297 F HN 0.358 nan 8.300 nan 0.000 0.453 298 S N 0.881 116.460 115.700 -0.202 0.000 2.355 298 S HA 0.014 4.491 4.470 0.011 0.000 0.222 298 S C -0.005 174.157 174.600 -0.729 0.000 1.031 298 S CA 1.142 59.020 58.200 -0.537 0.000 0.993 298 S CB -0.183 62.573 63.200 -0.740 0.000 0.859 298 S HN 0.358 nan 8.310 nan 0.000 0.453 299 F N 1.567 121.515 119.950 -0.003 0.000 2.430 299 F HA 0.537 5.071 4.527 0.011 0.000 0.362 299 F C -0.082 175.725 175.800 0.012 0.000 1.103 299 F CA -0.982 57.050 58.000 0.054 0.000 1.045 299 F CB 1.300 40.360 39.000 0.100 0.000 1.276 299 F HN -0.118 nan 8.300 nan 0.000 0.444 300 V N 0.615 120.487 119.914 -0.071 0.000 3.167 300 V HA 0.765 4.891 4.120 0.011 0.000 0.310 300 V C -2.870 172.852 176.094 -0.619 0.000 1.207 300 V CA -3.378 58.549 62.300 -0.622 0.000 1.059 300 V CB 1.973 33.630 31.823 -0.276 0.000 1.079 300 V HN 0.243 nan 8.190 nan 0.000 0.446 301 P HA 0.110 nan 4.420 nan 0.000 0.263 301 P C -0.629 176.538 177.300 -0.221 0.000 1.175 301 P CA 0.536 63.370 63.100 -0.444 0.000 0.761 301 P CB 0.480 31.840 31.700 -0.567 0.000 0.794 302 V N 5.076 124.933 119.914 -0.096 0.000 2.581 302 V HA 0.230 4.357 4.120 0.011 0.000 0.303 302 V C -0.287 175.784 176.094 -0.039 0.000 1.041 302 V CA -0.876 61.391 62.300 -0.055 0.000 0.907 302 V CB 2.027 33.846 31.823 -0.007 0.000 0.994 302 V HN 0.145 nan 8.190 nan 0.000 0.442 303 V N 7.478 127.370 119.914 -0.035 0.000 2.364 303 V HA 0.167 4.293 4.120 0.011 0.000 0.252 303 V C 0.805 176.902 176.094 0.005 0.000 1.075 303 V CA 0.376 62.669 62.300 -0.011 0.000 1.033 303 V CB 0.113 31.923 31.823 -0.022 0.000 1.116 303 V HN 1.062 nan 8.190 nan 0.000 0.488 304 D N 2.722 123.139 120.400 0.029 0.000 2.360 304 D HA 0.118 4.765 4.640 0.011 0.000 0.210 304 D C 1.522 177.843 176.300 0.036 0.000 1.047 304 D CA 0.632 54.652 54.000 0.034 0.000 0.854 304 D CB 0.349 41.181 40.800 0.053 0.000 0.936 304 D HN 0.681 nan 8.370 nan 0.000 0.514 305 G N 0.756 109.578 108.800 0.037 0.000 2.160 305 G HA2 -0.318 3.649 3.960 0.011 0.000 0.251 305 G HA3 -0.318 3.649 3.960 0.011 0.000 0.251 305 G C 0.291 175.214 174.900 0.038 0.000 1.008 305 G CA 0.818 45.936 45.100 0.030 0.000 0.724 305 G HN 0.553 nan 8.290 nan 0.000 0.514 306 D N -1.876 118.563 120.400 0.065 0.000 3.000 306 D HA 0.223 4.870 4.640 0.011 0.000 0.190 306 D C 1.670 178.026 176.300 0.093 0.000 1.503 306 D CA 0.397 54.440 54.000 0.071 0.000 1.496 306 D CB -0.662 40.189 40.800 0.084 0.000 1.163 306 D HN 0.059 nan 8.370 nan 0.000 0.231 307 F N 1.303 121.260 119.950 0.011 0.000 2.065 307 F HA 0.150 4.683 4.527 0.010 0.000 0.298 307 F C 0.617 176.418 175.800 0.001 0.000 1.112 307 F CA 1.293 59.300 58.000 0.011 0.000 1.212 307 F CB 0.093 39.097 39.000 0.006 0.000 0.975 307 F HN -0.002 nan 8.300 nan 0.000 0.476 308 L N 0.902 122.297 121.223 0.288 0.000 2.277 308 L HA 0.183 4.530 4.340 0.011 0.000 0.284 308 L C 1.389 178.304 176.870 0.076 0.000 1.028 308 L CA -0.157 54.777 54.840 0.157 0.000 0.835 308 L CB 1.228 43.363 42.059 0.127 0.000 1.215 308 L HN 0.111 nan 8.230 nan 0.000 0.425 309 S N 0.487 116.212 115.700 0.041 0.000 2.447 309 S HA -0.022 4.455 4.470 0.011 0.000 0.233 309 S C 0.494 175.103 174.600 0.016 0.000 1.006 309 S CA 0.502 58.715 58.200 0.021 0.000 0.957 309 S CB 0.181 63.383 63.200 0.003 0.000 0.773 309 S HN 0.698 nan 8.310 nan 0.000 0.507 310 D N 0.186 120.597 120.400 0.018 0.000 2.759 310 D HA 0.301 4.948 4.640 0.011 0.000 0.321 310 D C -0.851 175.452 176.300 0.006 0.000 1.267 310 D CA 0.025 54.030 54.000 0.008 0.000 0.933 310 D CB 1.444 42.246 40.800 0.004 0.000 1.431 310 D HN 0.230 nan 8.370 nan 0.000 0.504 311 T N -0.824 113.726 114.554 -0.007 0.000 2.932 311 T HA 0.204 4.560 4.350 0.011 0.000 0.312 311 T C -1.794 172.898 174.700 -0.014 0.000 1.071 311 T CA -0.677 61.410 62.100 -0.021 0.000 1.128 311 T CB 0.940 69.789 68.868 -0.031 0.000 0.984 311 T HN 0.107 nan 8.240 nan 0.000 0.549 312 P HA -0.134 nan 4.420 nan 0.000 0.216 312 P C 1.477 178.767 177.300 -0.017 0.000 1.150 312 P CA 1.158 64.242 63.100 -0.026 0.000 0.843 312 P CB 0.070 31.724 31.700 -0.076 0.000 0.787 313 E N -0.291 119.889 120.200 -0.034 0.000 2.058 313 E HA -0.230 4.126 4.350 0.011 0.000 0.194 313 E C 1.929 178.532 176.600 0.005 0.000 0.997 313 E CA 1.423 57.809 56.400 -0.022 0.000 0.801 313 E CB -0.515 29.164 29.700 -0.035 0.000 0.746 313 E HN 0.081 nan 8.360 nan 0.000 0.450 314 A N 1.116 123.938 122.820 0.004 0.000 1.877 314 A HA -0.152 4.175 4.320 0.011 0.000 0.216 314 A C 2.250 179.854 177.584 0.034 0.000 1.186 314 A CA 1.271 53.315 52.037 0.012 0.000 0.620 314 A CB -0.678 18.324 19.000 0.003 0.000 0.822 314 A HN 0.316 nan 8.150 nan 0.000 0.443 315 L N -0.038 121.214 121.223 0.048 0.000 2.093 315 L HA -0.129 4.218 4.340 0.011 0.000 0.208 315 L C 2.549 179.531 176.870 0.187 0.000 1.085 315 L CA 1.468 56.362 54.840 0.089 0.000 0.755 315 L CB -0.618 41.497 42.059 0.092 0.000 0.904 315 L HN 0.679 nan 8.230 nan 0.000 0.435 316 I N -3.044 117.629 120.570 0.172 0.000 2.761 316 I HA -0.092 4.085 4.170 0.011 0.000 0.261 316 I C 1.761 178.017 176.117 0.232 0.000 1.198 316 I CA 1.082 62.533 61.300 0.252 0.000 1.482 316 I CB -0.364 37.677 38.000 0.070 0.000 1.100 316 I HN 0.173 nan 8.210 nan 0.000 0.445 317 N N 1.485 120.258 118.700 0.122 0.000 2.354 317 N HA -0.073 4.673 4.740 0.011 0.000 0.179 317 N C 1.714 177.262 175.510 0.063 0.000 1.021 317 N CA 1.897 54.997 53.050 0.084 0.000 0.887 317 N CB -0.169 38.344 38.487 0.044 0.000 0.974 317 N HN 0.658 nan 8.380 nan 0.000 0.437 318 T N -3.741 110.838 114.554 0.042 0.000 3.040 318 T HA 0.327 4.684 4.350 0.011 0.000 0.266 318 T C 0.892 175.529 174.700 -0.105 0.000 1.005 318 T CA -0.493 61.595 62.100 -0.019 0.000 0.906 318 T CB 0.119 68.974 68.868 -0.021 0.000 1.082 318 T HN 0.028 nan 8.240 nan 0.000 0.531 319 G N 0.700 109.404 108.800 -0.160 0.000 2.503 319 G HA2 0.425 4.392 3.960 0.011 0.000 0.257 319 G HA3 0.425 4.392 3.960 0.011 0.000 0.257 319 G C -1.124 173.285 174.900 -0.818 0.000 1.214 319 G CA -0.402 44.324 45.100 -0.624 0.000 0.839 319 G HN 0.270 nan 8.290 nan 0.000 0.559 320 D N 0.392 120.310 120.400 -0.803 0.000 2.373 320 D HA 0.371 5.017 4.640 0.011 0.000 0.227 320 D C -0.499 175.416 176.300 -0.643 0.000 1.091 320 D CA -0.568 53.114 54.000 -0.530 0.000 0.840 320 D CB 0.560 41.199 40.800 -0.270 0.000 1.060 320 D HN 0.102 nan 8.370 nan 0.000 0.502 321 F N 2.184 122.136 119.950 0.005 0.000 2.908 321 F HA 0.256 4.789 4.527 0.011 0.000 0.328 321 F C 1.940 177.746 175.800 0.009 0.000 1.211 321 F CA -0.425 57.581 58.000 0.010 0.000 1.291 321 F CB 0.185 39.200 39.000 0.026 0.000 0.962 321 F HN 0.376 nan 8.300 nan 0.000 0.505 322 Q N 0.342 120.190 119.800 0.080 0.000 2.061 322 Q HA -0.199 4.148 4.340 0.011 0.000 0.204 322 Q C 0.511 176.547 176.000 0.060 0.000 0.984 322 Q CA 1.746 57.581 55.803 0.054 0.000 0.846 322 Q CB 0.023 28.766 28.738 0.008 0.000 0.902 322 Q HN 0.362 nan 8.270 nan 0.000 0.421 323 D N -0.400 120.030 120.400 0.049 0.000 2.460 323 D HA 0.140 4.786 4.640 0.011 0.000 0.229 323 D C -1.174 175.156 176.300 0.050 0.000 1.170 323 D CA -0.005 54.015 54.000 0.035 0.000 0.827 323 D CB 0.379 41.183 40.800 0.006 0.000 0.973 323 D HN -0.009 nan 8.370 nan 0.000 0.496 324 L N 0.965 122.245 121.223 0.094 0.000 2.322 324 L HA 0.439 4.786 4.340 0.011 0.000 0.281 324 L C -0.951 175.994 176.870 0.125 0.000 1.014 324 L CA -0.531 54.377 54.840 0.114 0.000 0.815 324 L CB 1.587 43.744 42.059 0.164 0.000 1.247 324 L HN -0.172 nan 8.230 nan 0.000 0.421 325 Q N 3.282 123.168 119.800 0.143 0.000 2.282 325 Q HA 0.775 5.122 4.340 0.011 0.000 0.260 325 Q C -1.354 174.903 176.000 0.429 0.000 0.964 325 Q CA -0.476 55.468 55.803 0.235 0.000 0.880 325 Q CB 2.508 31.333 28.738 0.145 0.000 1.286 325 Q HN 0.449 nan 8.270 nan 0.000 0.445 326 V N 2.442 122.596 119.914 0.401 0.000 2.760 326 V HA 0.489 4.616 4.120 0.011 0.000 0.309 326 V C -1.443 174.620 176.094 -0.052 0.000 1.077 326 V CA -0.884 61.554 62.300 0.231 0.000 0.910 326 V CB 1.956 33.823 31.823 0.073 0.000 1.008 326 V HN 0.611 nan 8.190 nan 0.000 0.424 327 L N 6.546 127.500 121.223 -0.449 0.000 2.322 327 L HA 0.932 5.279 4.340 0.011 0.000 0.281 327 L C -0.481 176.257 176.870 -0.220 0.000 1.014 327 L CA -0.165 54.335 54.840 -0.568 0.000 0.815 327 L CB 1.726 42.986 42.059 -1.331 0.000 1.247 327 L HN 0.656 nan 8.230 nan 0.000 0.421 328 V N 1.903 121.764 119.914 -0.088 0.000 3.007 328 V HA 1.128 5.255 4.120 0.011 0.000 0.311 328 V C -0.316 175.567 176.094 -0.351 0.000 1.120 328 V CA 0.234 62.468 62.300 -0.110 0.000 0.980 328 V CB 1.247 32.978 31.823 -0.153 0.000 1.033 328 V HN 1.133 nan 8.190 nan 0.000 0.429 329 G N 0.619 109.076 108.800 -0.573 0.000 2.430 329 G HA2 0.778 4.745 3.960 0.011 0.000 0.300 329 G HA3 0.778 4.745 3.960 0.011 0.000 0.300 329 G C -1.210 173.384 174.900 -0.511 0.000 1.330 329 G CA 0.116 44.507 45.100 -1.181 0.000 0.813 329 G HN 2.152 nan 8.290 nan 0.000 0.487 330 V N -2.289 117.444 119.914 -0.302 0.000 3.114 330 V HA 0.912 5.038 4.120 0.011 0.000 0.308 330 V C 0.283 176.559 176.094 0.302 0.000 1.168 330 V CA -0.359 61.985 62.300 0.073 0.000 1.015 330 V CB 1.130 32.975 31.823 0.037 0.000 1.050 330 V HN 1.904 nan 8.190 nan 0.000 0.433 331 V N 0.082 120.201 119.914 0.342 0.000 3.134 331 V HA 0.551 4.678 4.120 0.011 0.000 0.313 331 V C 1.454 177.743 176.094 0.326 0.000 1.069 331 V CA 0.116 62.669 62.300 0.422 0.000 1.048 331 V CB 1.156 33.217 31.823 0.397 0.000 1.119 331 V HN 1.107 nan 8.190 nan 0.000 0.461 332 K N 0.070 120.659 120.400 0.315 0.000 2.097 332 K HA -0.091 4.236 4.320 0.011 0.000 0.206 332 K C 0.079 176.804 176.600 0.208 0.000 1.049 332 K CA 2.088 58.514 56.287 0.231 0.000 0.933 332 K CB -0.044 32.568 32.500 0.187 0.000 0.717 332 K HN 0.957 nan 8.250 nan 0.000 0.442 333 D N 0.730 121.261 120.400 0.218 0.000 2.517 333 D HA 0.066 4.713 4.640 0.011 0.000 0.301 333 D C 0.062 176.498 176.300 0.227 0.000 1.202 333 D CA -0.180 53.939 54.000 0.198 0.000 0.910 333 D CB 1.341 42.235 40.800 0.157 0.000 1.021 333 D HN 0.043 nan 8.370 nan 0.000 0.499 334 E N 0.529 120.875 120.200 0.243 0.000 2.153 334 E HA -0.104 4.252 4.350 0.011 0.000 0.194 334 E C 2.100 178.888 176.600 0.313 0.000 0.988 334 E CA 0.716 57.293 56.400 0.296 0.000 0.811 334 E CB 0.065 29.912 29.700 0.246 0.000 0.746 334 E HN 0.528 nan 8.360 nan 0.000 0.466 335 G N 1.051 110.002 108.800 0.252 0.000 2.494 335 G HA2 -0.174 3.793 3.960 0.011 0.000 0.216 335 G HA3 -0.174 3.793 3.960 0.011 0.000 0.216 335 G C 1.756 176.834 174.900 0.296 0.000 1.140 335 G CA 0.832 46.095 45.100 0.272 0.000 0.801 335 G HN 0.365 nan 8.290 nan 0.000 0.536 336 S N 0.122 115.951 115.700 0.214 0.000 2.368 336 S HA -0.238 4.238 4.470 0.011 0.000 0.225 336 S C 2.113 176.719 174.600 0.010 0.000 1.030 336 S CA 1.315 59.596 58.200 0.136 0.000 0.999 336 S CB -0.807 62.394 63.200 0.001 0.000 0.844 336 S HN 0.416 nan 8.310 nan 0.000 0.459 337 Y N 1.897 122.066 120.300 -0.219 0.000 2.139 337 Y HA -0.207 4.349 4.550 0.011 0.000 0.282 337 Y C 1.761 177.465 175.900 -0.326 0.000 1.179 337 Y CA 1.894 59.702 58.100 -0.487 0.000 1.161 337 Y CB -0.570 37.505 38.460 -0.641 0.000 0.970 337 Y HN 0.285 nan 8.280 nan 0.000 0.511 338 F N -0.873 119.131 119.950 0.089 0.000 2.558 338 F HA -0.091 4.442 4.527 0.010 0.000 0.298 338 F C 1.958 177.780 175.800 0.037 0.000 1.119 338 F CA 0.600 58.633 58.000 0.054 0.000 1.451 338 F CB -0.396 38.570 39.000 -0.057 0.000 1.091 338 F HN 0.015 nan 8.300 nan 0.000 0.563 339 L N -0.061 121.227 121.223 0.109 0.000 2.093 339 L HA -0.141 4.206 4.340 0.011 0.000 0.208 339 L C 2.383 179.274 176.870 0.034 0.000 1.085 339 L CA 1.049 55.832 54.840 -0.094 0.000 0.755 339 L CB -0.848 40.967 42.059 -0.408 0.000 0.904 339 L HN 0.163 nan 8.230 nan 0.000 0.435 340 V N -4.832 115.148 119.914 0.111 0.000 3.380 340 V HA -0.166 3.961 4.120 0.011 0.000 0.268 340 V C 1.219 177.232 176.094 -0.134 0.000 1.168 340 V CA 0.851 63.203 62.300 0.087 0.000 1.156 340 V CB -1.179 30.723 31.823 0.132 0.000 0.785 340 V HN 0.318 nan 8.190 nan 0.000 0.487 341 Y N 1.379 121.668 120.300 -0.018 0.000 2.625 341 Y HA 0.674 5.231 4.550 0.011 0.000 0.285 341 Y C 1.703 177.571 175.900 -0.052 0.000 1.168 341 Y CA 0.336 58.399 58.100 -0.061 0.000 1.250 341 Y CB 0.818 39.222 38.460 -0.094 0.000 1.130 341 Y HN 0.384 nan 8.280 nan 0.000 0.526 342 G N -1.447 107.401 108.800 0.081 0.000 3.990 342 G HA2 -0.056 3.911 3.960 0.011 0.000 0.213 342 G HA3 -0.056 3.911 3.960 0.011 0.000 0.213 342 G C -0.696 174.239 174.900 0.057 0.000 0.849 342 G CA -0.404 44.729 45.100 0.055 0.000 0.857 342 G HN -0.072 nan 8.290 nan 0.000 0.484 343 V N 3.408 123.363 119.914 0.068 0.000 2.408 343 V HA 0.389 4.516 4.120 0.011 0.000 0.267 343 V C -1.979 174.258 176.094 0.239 0.000 1.047 343 V CA -1.438 60.930 62.300 0.113 0.000 0.937 343 V CB 1.102 32.919 31.823 -0.011 0.000 0.999 343 V HN 0.073 nan 8.190 nan 0.000 0.472 344 P HA 0.277 nan 4.420 nan 0.000 0.265 344 P C 0.993 178.392 177.300 0.166 0.000 1.193 344 P CA 1.157 64.340 63.100 0.138 0.000 0.765 344 P CB 0.711 32.459 31.700 0.080 0.000 0.823 345 G N 1.158 109.998 108.800 0.067 0.000 2.238 345 G HA2 -0.198 3.769 3.960 0.011 0.000 0.217 345 G HA3 -0.198 3.769 3.960 0.011 0.000 0.217 345 G C -0.201 174.536 174.900 -0.271 0.000 0.996 345 G CA -0.615 44.408 45.100 -0.127 0.000 0.632 345 G HN 0.393 nan 8.290 nan 0.000 0.503 346 F N 1.482 121.420 119.950 -0.021 0.000 2.422 346 F HA 0.812 5.345 4.527 0.011 0.000 0.333 346 F C 0.602 176.456 175.800 0.090 0.000 1.095 346 F CA -0.163 57.835 58.000 -0.004 0.000 1.038 346 F CB 2.290 41.325 39.000 0.058 0.000 1.156 346 F HN 0.137 nan 8.300 nan 0.000 0.483 347 S N 1.273 117.170 115.700 0.327 0.000 2.537 347 S HA 0.256 4.733 4.470 0.011 0.000 0.271 347 S C 0.242 175.104 174.600 0.437 0.000 1.148 347 S CA -0.877 57.512 58.200 0.315 0.000 0.868 347 S CB 1.289 64.582 63.200 0.157 0.000 1.115 347 S HN 0.762 nan 8.310 nan 0.000 0.461 348 K N 1.399 121.966 120.400 0.279 0.000 2.288 348 K HA 0.099 4.426 4.320 0.011 0.000 0.201 348 K C 0.122 176.727 176.600 0.008 0.000 1.048 348 K CA 1.245 57.601 56.287 0.116 0.000 0.956 348 K CB -0.091 32.232 32.500 -0.295 0.000 0.746 348 K HN 0.426 nan 8.250 nan 0.000 0.461 349 D N 0.928 121.318 120.400 -0.018 0.000 2.339 349 D HA 0.012 4.659 4.640 0.011 0.000 0.217 349 D C -0.297 176.013 176.300 0.018 0.000 1.050 349 D CA 0.292 54.260 54.000 -0.053 0.000 0.856 349 D CB 0.066 40.817 40.800 -0.082 0.000 0.922 349 D HN 0.504 nan 8.370 nan 0.000 0.518 350 N N -1.167 117.583 118.700 0.082 0.000 2.902 350 N HA 0.089 4.836 4.740 0.011 0.000 0.268 350 N C 0.402 175.960 175.510 0.081 0.000 1.450 350 N CA -0.536 52.544 53.050 0.050 0.000 0.819 350 N CB 0.888 39.363 38.487 -0.021 0.000 1.540 350 N HN -0.438 nan 8.380 nan 0.000 0.545 351 E N -0.358 119.821 120.200 -0.035 0.000 2.478 351 E HA -0.010 4.346 4.350 0.011 0.000 0.198 351 E C -0.353 175.884 176.600 -0.605 0.000 1.046 351 E CA 0.544 56.849 56.400 -0.160 0.000 0.870 351 E CB -0.590 29.050 29.700 -0.099 0.000 0.818 351 E HN 0.600 nan 8.360 nan 0.000 0.527 352 S N -0.089 115.287 115.700 -0.540 0.000 3.641 352 S HA -0.194 4.282 4.470 0.011 0.000 0.346 352 S C 0.298 174.436 174.600 -0.770 0.000 1.074 352 S CA 0.149 57.882 58.200 -0.777 0.000 1.026 352 S CB -1.880 60.605 63.200 -1.191 0.000 0.908 352 S HN 0.280 nan 8.310 nan 0.000 0.479 353 L N 1.731 122.666 121.223 -0.480 0.000 2.433 353 L HA 0.379 4.725 4.340 0.011 0.000 0.275 353 L C 0.726 177.382 176.870 -0.355 0.000 1.128 353 L CA 0.092 54.715 54.840 -0.361 0.000 0.875 353 L CB 0.042 41.965 42.059 -0.228 0.000 1.171 353 L HN 0.443 nan 8.230 nan 0.000 0.463 354 I N 0.147 120.507 120.570 -0.351 0.000 2.750 354 I HA 0.645 4.821 4.170 0.011 0.000 0.308 354 I C 0.502 176.538 176.117 -0.135 0.000 1.016 354 I CA -0.638 60.496 61.300 -0.277 0.000 1.098 354 I CB 1.959 39.760 38.000 -0.331 0.000 1.279 354 I HN 0.556 nan 8.210 nan 0.000 0.454 355 S N 2.938 118.593 115.700 -0.075 0.000 2.645 355 S HA 0.356 4.833 4.470 0.011 0.000 0.266 355 S C 0.940 175.561 174.600 0.035 0.000 1.258 355 S CA -0.477 57.707 58.200 -0.026 0.000 0.990 355 S CB 1.493 64.686 63.200 -0.013 0.000 0.967 355 S HN 0.888 nan 8.310 nan 0.000 0.556 356 R N 0.356 120.882 120.500 0.043 0.000 2.092 356 R HA -0.044 4.302 4.340 0.011 0.000 0.231 356 R C 2.365 178.761 176.300 0.160 0.000 1.119 356 R CA 1.405 57.570 56.100 0.109 0.000 0.970 356 R CB -1.121 29.218 30.300 0.066 0.000 0.864 356 R HN 0.832 nan 8.270 nan 0.000 0.440 357 A N 0.719 123.597 122.820 0.097 0.000 1.917 357 A HA -0.255 4.072 4.320 0.011 0.000 0.219 357 A C 2.046 179.686 177.584 0.094 0.000 1.182 357 A CA 1.724 53.811 52.037 0.084 0.000 0.633 357 A CB -0.549 18.482 19.000 0.051 0.000 0.819 357 A HN 0.531 nan 8.150 nan 0.000 0.448 358 Q N -2.065 117.794 119.800 0.098 0.000 2.167 358 Q HA -0.084 4.263 4.340 0.011 0.000 0.202 358 Q C 1.873 177.990 176.000 0.195 0.000 0.970 358 Q CA 1.337 57.208 55.803 0.113 0.000 0.855 358 Q CB -0.247 28.530 28.738 0.064 0.000 0.911 358 Q HN 0.807 nan 8.270 nan 0.000 0.438 359 F N 1.092 121.078 119.950 0.061 0.000 2.102 359 F HA -0.213 4.320 4.527 0.011 0.000 0.298 359 F C 1.752 177.591 175.800 0.066 0.000 1.105 359 F CA 1.103 59.149 58.000 0.077 0.000 1.239 359 F CB 0.063 39.091 39.000 0.046 0.000 0.991 359 F HN -0.037 nan 8.300 nan 0.000 0.474 360 L N 0.168 121.382 121.223 -0.016 0.000 2.046 360 L HA -0.218 4.129 4.340 0.011 0.000 0.208 360 L C 2.868 179.680 176.870 -0.098 0.000 1.077 360 L CA 1.189 55.958 54.840 -0.117 0.000 0.747 360 L CB -1.454 40.618 42.059 0.023 0.000 0.896 360 L HN 0.272 nan 8.230 nan 0.000 0.432 361 A N 0.616 123.424 122.820 -0.020 0.000 1.902 361 A HA -0.125 4.201 4.320 0.011 0.000 0.217 361 A C 2.433 180.003 177.584 -0.023 0.000 1.181 361 A CA 1.762 53.796 52.037 -0.005 0.000 0.623 361 A CB -1.264 17.754 19.000 0.031 0.000 0.818 361 A HN 0.443 nan 8.150 nan 0.000 0.443 362 G N -0.539 108.251 108.800 -0.016 0.000 2.440 362 G HA2 -0.148 3.818 3.960 0.011 0.000 0.218 362 G HA3 -0.148 3.818 3.960 0.011 0.000 0.218 362 G C 1.506 176.337 174.900 -0.115 0.000 1.154 362 G CA 1.265 46.351 45.100 -0.023 0.000 0.767 362 G HN 0.329 nan 8.290 nan 0.000 0.552 363 V N 0.939 120.709 119.914 -0.240 0.000 2.407 363 V HA -0.149 3.978 4.120 0.011 0.000 0.248 363 V C 3.001 179.025 176.094 -0.117 0.000 1.055 363 V CA 1.728 63.883 62.300 -0.241 0.000 1.049 363 V CB -0.395 31.205 31.823 -0.372 0.000 0.662 363 V HN 0.217 nan 8.190 nan 0.000 0.455 364 R N -0.112 120.335 120.500 -0.087 0.000 2.120 364 R HA 0.013 4.360 4.340 0.011 0.000 0.234 364 R C 2.024 178.307 176.300 -0.029 0.000 1.123 364 R CA 1.382 57.456 56.100 -0.043 0.000 0.975 364 R CB -0.836 29.448 30.300 -0.026 0.000 0.866 364 R HN 0.492 nan 8.270 nan 0.000 0.446 365 I N -0.602 119.950 120.570 -0.029 0.000 2.406 365 I HA -0.051 4.125 4.170 0.011 0.000 0.249 365 I C 2.194 178.300 176.117 -0.018 0.000 1.122 365 I CA 1.346 62.637 61.300 -0.015 0.000 1.431 365 I CB -0.377 37.620 38.000 -0.005 0.000 1.087 365 I HN 0.169 nan 8.210 nan 0.000 0.424 366 G N 0.235 109.014 108.800 -0.035 0.000 2.623 366 G HA2 0.041 4.008 3.960 0.011 0.000 0.214 366 G HA3 0.041 4.008 3.960 0.011 0.000 0.214 366 G C 0.772 175.669 174.900 -0.004 0.000 1.138 366 G CA 0.288 45.373 45.100 -0.025 0.000 0.794 366 G HN 0.233 nan 8.290 nan 0.000 0.535 367 V N 1.865 121.758 119.914 -0.035 0.000 2.361 367 V HA 0.218 4.344 4.120 0.011 0.000 0.252 367 V C -1.540 174.542 176.094 -0.020 0.000 0.986 367 V CA -1.056 61.195 62.300 -0.080 0.000 1.033 367 V CB 1.495 33.242 31.823 -0.126 0.000 1.282 367 V HN 0.046 nan 8.190 nan 0.000 0.514 368 P HA -0.100 nan 4.420 nan 0.000 0.225 368 P C 0.973 178.280 177.300 0.011 0.000 1.148 368 P CA 0.987 64.092 63.100 0.009 0.000 0.779 368 P CB 0.552 32.258 31.700 0.009 0.000 0.780 369 Q N -0.646 119.170 119.800 0.026 0.000 2.319 369 Q HA 0.298 4.645 4.340 0.011 0.000 0.202 369 Q C 0.692 176.696 176.000 0.008 0.000 0.896 369 Q CA -0.138 55.676 55.803 0.019 0.000 0.942 369 Q CB -0.237 28.520 28.738 0.033 0.000 1.083 369 Q HN 0.139 nan 8.270 nan 0.000 0.510 370 A N 0.957 123.777 122.820 0.001 0.000 2.450 370 A HA 0.408 4.734 4.320 0.011 0.000 0.255 370 A C 0.507 178.087 177.584 -0.007 0.000 1.096 370 A CA -0.259 51.773 52.037 -0.008 0.000 0.778 370 A CB 0.104 19.099 19.000 -0.010 0.000 1.031 370 A HN 0.370 nan 8.150 nan 0.000 0.494 371 S N 2.183 117.876 115.700 -0.012 0.000 2.592 371 S HA 0.021 4.497 4.470 0.011 0.000 0.256 371 S C 0.467 175.069 174.600 0.004 0.000 1.369 371 S CA 0.377 58.572 58.200 -0.007 0.000 0.984 371 S CB 0.289 63.481 63.200 -0.014 0.000 0.919 371 S HN 0.645 nan 8.310 nan 0.000 0.576 372 D N 0.091 120.496 120.400 0.009 0.000 2.117 372 D HA -0.076 4.571 4.640 0.011 0.000 0.197 372 D C 1.765 178.084 176.300 0.032 0.000 0.987 372 D CA 0.940 54.951 54.000 0.019 0.000 0.829 372 D CB -0.489 40.322 40.800 0.019 0.000 0.961 372 D HN 0.407 nan 8.370 nan 0.000 0.460 373 L N 0.881 122.122 121.223 0.031 0.000 2.027 373 L HA -0.018 4.328 4.340 0.011 0.000 0.206 373 L C 2.129 179.041 176.870 0.069 0.000 1.074 373 L CA 1.648 56.518 54.840 0.050 0.000 0.745 373 L CB -0.880 41.203 42.059 0.039 0.000 0.898 373 L HN -0.021 nan 8.230 nan 0.000 0.433 374 A N -0.547 122.294 122.820 0.036 0.000 1.902 374 A HA -0.128 4.199 4.320 0.011 0.000 0.217 374 A C 2.424 180.052 177.584 0.072 0.000 1.181 374 A CA 1.867 53.923 52.037 0.032 0.000 0.623 374 A CB -1.133 17.846 19.000 -0.036 0.000 0.818 374 A HN 0.555 nan 8.150 nan 0.000 0.443 375 A N -0.987 121.863 122.820 0.050 0.000 1.969 375 A HA -0.088 4.239 4.320 0.011 0.000 0.218 375 A C 1.973 179.605 177.584 0.079 0.000 1.169 375 A CA 1.619 53.685 52.037 0.048 0.000 0.635 375 A CB -0.327 18.681 19.000 0.013 0.000 0.810 375 A HN 0.400 nan 8.150 nan 0.000 0.445 376 E N -0.014 120.243 120.200 0.095 0.000 2.152 376 E HA -0.033 4.324 4.350 0.011 0.000 0.192 376 E C 2.306 179.009 176.600 0.172 0.000 0.983 376 E CA 1.017 57.493 56.400 0.126 0.000 0.818 376 E CB -0.461 29.305 29.700 0.111 0.000 0.758 376 E HN 0.532 nan 8.360 nan 0.000 0.467 377 A N 0.704 123.642 122.820 0.197 0.000 1.908 377 A HA -0.165 4.162 4.320 0.011 0.000 0.218 377 A C 2.577 180.303 177.584 0.236 0.000 1.181 377 A CA 1.613 53.815 52.037 0.275 0.000 0.627 377 A CB -0.683 18.582 19.000 0.440 0.000 0.818 377 A HN 0.149 nan 8.150 nan 0.000 0.445 378 V N -0.515 119.561 119.914 0.270 0.000 2.261 378 V HA -0.228 3.898 4.120 0.011 0.000 0.246 378 V C 2.581 178.850 176.094 0.292 0.000 1.047 378 V CA 1.967 64.406 62.300 0.233 0.000 1.015 378 V CB -0.818 31.125 31.823 0.199 0.000 0.642 378 V HN 0.367 nan 8.190 nan 0.000 0.446 379 V N -0.069 119.981 119.914 0.226 0.000 2.324 379 V HA -0.285 3.842 4.120 0.011 0.000 0.250 379 V C 2.269 178.604 176.094 0.400 0.000 1.060 379 V CA 2.126 64.615 62.300 0.314 0.000 1.042 379 V CB -0.554 31.398 31.823 0.216 0.000 0.650 379 V HN 0.459 nan 8.190 nan 0.000 0.450 380 L N -0.963 120.475 121.223 0.359 0.000 2.156 380 L HA -0.138 4.209 4.340 0.011 0.000 0.208 380 L C 2.499 179.595 176.870 0.377 0.000 1.095 380 L CA 1.608 56.737 54.840 0.482 0.000 0.770 380 L CB -0.695 41.556 42.059 0.319 0.000 0.914 380 L HN 0.437 nan 8.230 nan 0.000 0.439 381 H N -0.844 118.240 119.070 0.023 0.000 2.395 381 H HA -0.150 4.412 4.556 0.010 0.000 0.299 381 H C 1.758 176.986 175.328 -0.167 0.000 1.070 381 H CA 1.792 57.697 56.048 -0.239 0.000 1.356 381 H CB 0.101 29.364 29.762 -0.832 0.000 1.401 381 H HN 0.231 nan 8.280 nan 0.000 0.524 382 Y N -0.232 120.118 120.300 0.082 0.000 2.510 382 Y HA 0.142 4.700 4.550 0.012 0.000 0.273 382 Y C 0.823 176.771 175.900 0.080 0.000 1.119 382 Y CA 0.330 58.505 58.100 0.125 0.000 1.286 382 Y CB 0.301 38.956 38.460 0.326 0.000 1.061 382 Y HN 0.022 nan 8.280 nan 0.000 0.542 383 T N 1.704 116.301 114.554 0.072 0.000 2.928 383 T HA -0.073 4.284 4.350 0.011 0.000 0.305 383 T C -0.214 174.156 174.700 -0.550 0.000 1.035 383 T CA -0.124 61.749 62.100 -0.378 0.000 1.145 383 T CB 0.208 68.504 68.868 -0.953 0.000 0.963 383 T HN 0.078 nan 8.240 nan 0.000 0.545 384 D N 2.047 122.061 120.400 -0.644 0.000 2.339 384 D HA 0.083 4.730 4.640 0.011 0.000 0.241 384 D C -0.007 175.947 176.300 -0.577 0.000 1.183 384 D CA -0.605 53.009 54.000 -0.642 0.000 0.859 384 D CB 0.479 40.707 40.800 -0.953 0.000 1.067 384 D HN 0.618 nan 8.370 nan 0.000 0.484 385 W N 3.302 124.499 121.300 -0.172 0.000 2.937 385 W HA 0.105 4.771 4.660 0.009 0.000 0.245 385 W C 2.017 178.421 176.519 -0.190 0.000 1.306 385 W CA -0.300 56.961 57.345 -0.141 0.000 1.470 385 W CB 0.081 29.478 29.460 -0.104 0.000 1.132 385 W HN 0.412 nan 8.180 nan 0.000 0.675 386 L N -1.013 120.122 121.223 -0.148 0.000 2.156 386 L HA -0.100 4.246 4.340 0.011 0.000 0.208 386 L C 0.291 176.780 176.870 -0.635 0.000 1.095 386 L CA 1.223 55.814 54.840 -0.414 0.000 0.770 386 L CB -0.298 41.413 42.059 -0.581 0.000 0.914 386 L HN 0.058 nan 8.230 nan 0.000 0.439 387 H N -1.812 117.157 119.070 -0.170 0.000 2.616 387 H HA 0.142 4.705 4.556 0.010 0.000 0.229 387 H C -1.798 173.383 175.328 -0.245 0.000 1.418 387 H CA -1.165 54.777 56.048 -0.177 0.000 1.248 387 H CB 0.303 29.956 29.762 -0.181 0.000 1.822 387 H HN -0.013 nan 8.280 nan 0.000 0.522 388 P HA -0.143 nan 4.420 nan 0.000 0.225 388 P C 0.477 177.668 177.300 -0.182 0.000 1.148 388 P CA 1.184 64.105 63.100 -0.299 0.000 0.779 388 P CB 0.586 32.138 31.700 -0.246 0.000 0.780 389 E N -0.597 119.553 120.200 -0.084 0.000 2.693 389 E HA 0.067 4.424 4.350 0.011 0.000 0.214 389 E C -0.350 176.221 176.600 -0.048 0.000 0.990 389 E CA -0.254 56.112 56.400 -0.056 0.000 1.047 389 E CB 0.102 29.788 29.700 -0.022 0.000 1.039 389 E HN 0.195 nan 8.360 nan 0.000 0.475 390 D N 1.750 122.125 120.400 -0.041 0.000 2.358 390 D HA 0.020 4.666 4.640 0.011 0.000 0.258 390 D C -1.625 174.640 176.300 -0.058 0.000 1.223 390 D CA -1.864 52.111 54.000 -0.041 0.000 0.886 390 D CB 1.217 41.992 40.800 -0.042 0.000 1.120 390 D HN -0.147 nan 8.370 nan 0.000 0.482 391 P HA -0.137 nan 4.420 nan 0.000 0.216 391 P C 1.082 178.304 177.300 -0.129 0.000 1.150 391 P CA 1.052 64.083 63.100 -0.114 0.000 0.837 391 P CB 0.213 31.840 31.700 -0.121 0.000 0.786 392 T N -1.914 112.583 114.554 -0.095 0.000 2.737 392 T HA -0.182 4.175 4.350 0.011 0.000 0.265 392 T C 1.733 176.399 174.700 -0.057 0.000 1.038 392 T CA 1.618 63.671 62.100 -0.079 0.000 1.144 392 T CB -1.028 67.811 68.868 -0.050 0.000 0.866 392 T HN 0.275 nan 8.240 nan 0.000 0.434 393 H N 1.051 120.055 119.070 -0.111 0.000 2.353 393 H HA 0.076 4.638 4.556 0.010 0.000 0.300 393 H C 2.017 177.251 175.328 -0.156 0.000 1.090 393 H CA 1.301 57.282 56.048 -0.111 0.000 1.327 393 H CB -0.513 29.171 29.762 -0.130 0.000 1.383 393 H HN 0.230 nan 8.280 nan 0.000 0.508 394 L N 0.089 121.153 121.223 -0.264 0.000 2.046 394 L HA -0.174 4.173 4.340 0.011 0.000 0.208 394 L C 2.921 179.677 176.870 -0.191 0.000 1.077 394 L CA 1.503 56.095 54.840 -0.413 0.000 0.747 394 L CB -0.512 41.372 42.059 -0.293 0.000 0.896 394 L HN 0.319 nan 8.230 nan 0.000 0.432 395 R N 0.641 121.072 120.500 -0.114 0.000 2.080 395 R HA -0.201 4.145 4.340 0.011 0.000 0.236 395 R C 1.694 178.068 176.300 0.123 0.000 1.137 395 R CA 2.288 58.398 56.100 0.017 0.000 0.943 395 R CB -0.504 29.664 30.300 -0.220 0.000 0.846 395 R HN 0.336 nan 8.270 nan 0.000 0.431 396 D N 0.376 120.779 120.400 0.006 0.000 2.178 396 D HA -0.090 4.557 4.640 0.011 0.000 0.201 396 D C 1.710 178.015 176.300 0.009 0.000 0.980 396 D CA 1.395 55.428 54.000 0.054 0.000 0.842 396 D CB -0.186 40.630 40.800 0.026 0.000 0.948 396 D HN 0.410 nan 8.370 nan 0.000 0.472 397 A N 0.509 123.223 122.820 -0.177 0.000 1.929 397 A HA -0.123 4.203 4.320 0.011 0.000 0.216 397 A C 2.116 179.788 177.584 0.147 0.000 1.176 397 A CA 1.227 53.218 52.037 -0.077 0.000 0.628 397 A CB -0.394 18.378 19.000 -0.380 0.000 0.816 397 A HN 0.124 nan 8.150 nan 0.000 0.444 398 M N -0.073 119.678 119.600 0.252 0.000 2.086 398 M HA -0.095 4.391 4.480 0.011 0.000 0.261 398 M C 2.308 178.650 176.300 0.071 0.000 1.067 398 M CA 2.115 57.566 55.300 0.253 0.000 1.116 398 M CB -0.655 32.148 32.600 0.338 0.000 1.348 398 M HN 0.390 nan 8.290 nan 0.000 0.407 399 S N -0.279 115.490 115.700 0.116 0.000 2.365 399 S HA -0.170 4.307 4.470 0.011 0.000 0.225 399 S C 2.058 176.728 174.600 0.117 0.000 1.039 399 S CA 1.830 60.112 58.200 0.136 0.000 1.033 399 S CB -0.695 62.653 63.200 0.248 0.000 0.887 399 S HN 0.645 nan 8.310 nan 0.000 0.447 400 A N 0.776 123.675 122.820 0.132 0.000 1.908 400 A HA -0.030 4.296 4.320 0.011 0.000 0.218 400 A C 2.373 179.998 177.584 0.068 0.000 1.181 400 A CA 1.872 54.017 52.037 0.180 0.000 0.627 400 A CB -1.172 18.027 19.000 0.331 0.000 0.818 400 A HN 0.465 nan 8.150 nan 0.000 0.445 401 V N -0.388 119.406 119.914 -0.201 0.000 2.252 401 V HA -0.277 3.849 4.120 0.011 0.000 0.249 401 V C 2.592 178.620 176.094 -0.110 0.000 1.056 401 V CA 2.254 64.367 62.300 -0.312 0.000 1.022 401 V CB -0.838 30.789 31.823 -0.326 0.000 0.641 401 V HN 0.392 nan 8.190 nan 0.000 0.445 402 V N 0.588 120.461 119.914 -0.068 0.000 2.307 402 V HA -0.144 3.983 4.120 0.011 0.000 0.245 402 V C 2.616 178.647 176.094 -0.105 0.000 1.045 402 V CA 2.113 64.376 62.300 -0.062 0.000 1.024 402 V CB -1.397 30.430 31.823 0.006 0.000 0.651 402 V HN 0.617 nan 8.190 nan 0.000 0.449 403 G N -0.199 108.596 108.800 -0.009 0.000 2.421 403 G HA2 -0.248 3.719 3.960 0.011 0.000 0.216 403 G HA3 -0.248 3.719 3.960 0.011 0.000 0.216 403 G C 1.241 176.093 174.900 -0.079 0.000 1.171 403 G CA 1.107 46.214 45.100 0.011 0.000 0.775 403 G HN 0.504 nan 8.290 nan 0.000 0.543 404 D N -0.353 120.006 120.400 -0.069 0.000 2.097 404 D HA -0.066 4.581 4.640 0.011 0.000 0.197 404 D C 2.107 178.086 176.300 -0.535 0.000 0.984 404 D CA 1.175 55.089 54.000 -0.143 0.000 0.826 404 D CB -0.496 40.384 40.800 0.133 0.000 0.973 404 D HN 0.379 nan 8.370 nan 0.000 0.460 405 H N 1.089 119.595 119.070 -0.941 0.000 2.352 405 H HA -0.010 4.552 4.556 0.010 0.000 0.299 405 H C 1.487 176.409 175.328 -0.677 0.000 1.097 405 H CA 1.745 57.040 56.048 -1.255 0.000 1.311 405 H CB 0.044 29.120 29.762 -1.143 0.000 1.377 405 H HN 0.010 nan 8.280 nan 0.000 0.504 406 N N -0.945 117.330 118.700 -0.708 0.000 2.409 406 N HA 0.007 4.754 4.740 0.011 0.000 0.174 406 N C 1.321 176.590 175.510 -0.402 0.000 1.037 406 N CA 1.093 53.666 53.050 -0.794 0.000 0.898 406 N CB 1.043 38.552 38.487 -1.630 0.000 1.010 406 N HN 0.274 nan 8.380 nan 0.000 0.445 407 V N -0.425 119.320 119.914 -0.282 0.000 3.278 407 V HA 0.073 4.199 4.120 0.011 0.000 0.215 407 V C 2.165 178.217 176.094 -0.070 0.000 1.287 407 V CA 0.206 62.467 62.300 -0.065 0.000 1.302 407 V CB -0.079 31.785 31.823 0.067 0.000 1.228 407 V HN -0.171 nan 8.190 nan 0.000 0.523 408 V N 0.022 119.894 119.914 -0.070 0.000 2.295 408 V HA -0.268 3.858 4.120 0.011 0.000 0.246 408 V C 2.507 178.561 176.094 -0.067 0.000 1.049 408 V CA 2.546 64.820 62.300 -0.045 0.000 1.024 408 V CB -0.684 31.144 31.823 0.007 0.000 0.648 408 V HN 0.660 nan 8.190 nan 0.000 0.447 409 c N -0.447 118.099 118.600 -0.091 0.000 2.457 409 c HA 0.016 4.593 4.570 0.011 0.000 0.278 409 c C 0.555 174.603 174.090 -0.069 0.000 1.309 409 c CA 0.793 57.096 56.329 -0.044 0.000 1.735 409 c CB -1.771 40.736 42.510 -0.006 0.000 1.992 409 c HN 0.455 nan 8.230 nan 0.000 0.493 410 P HA -0.085 nan 4.420 nan 0.000 0.216 410 P C 1.736 178.965 177.300 -0.117 0.000 1.150 410 P CA 1.400 64.419 63.100 -0.136 0.000 0.837 410 P CB -0.143 31.440 31.700 -0.195 0.000 0.786 411 V N 0.046 119.893 119.914 -0.112 0.000 2.307 411 V HA -0.246 3.880 4.120 0.011 0.000 0.245 411 V C 2.459 178.453 176.094 -0.167 0.000 1.045 411 V CA 2.217 64.436 62.300 -0.133 0.000 1.024 411 V CB -1.703 30.040 31.823 -0.133 0.000 0.651 411 V HN 0.098 nan 8.190 nan 0.000 0.449 412 A N -0.441 122.296 122.820 -0.139 0.000 1.883 412 A HA -0.346 3.980 4.320 0.011 0.000 0.217 412 A C 2.191 179.738 177.584 -0.061 0.000 1.186 412 A CA 2.418 54.382 52.037 -0.122 0.000 0.624 412 A CB -0.615 18.366 19.000 -0.032 0.000 0.822 412 A HN 0.575 nan 8.150 nan 0.000 0.444 413 Q N -0.774 119.005 119.800 -0.036 0.000 2.030 413 Q HA -0.181 4.165 4.340 0.011 0.000 0.204 413 Q C 1.909 177.888 176.000 -0.036 0.000 0.986 413 Q CA 1.952 57.747 55.803 -0.013 0.000 0.843 413 Q CB -0.455 28.270 28.738 -0.021 0.000 0.904 413 Q HN 0.528 nan 8.270 nan 0.000 0.420 414 L N 0.210 121.383 121.223 -0.083 0.000 1.989 414 L HA -0.123 4.223 4.340 0.011 0.000 0.211 414 L C 2.190 178.995 176.870 -0.108 0.000 1.071 414 L CA 2.440 57.217 54.840 -0.106 0.000 0.749 414 L CB -1.209 40.770 42.059 -0.134 0.000 0.890 414 L HN 0.303 nan 8.230 nan 0.000 0.431 415 A N -0.621 122.102 122.820 -0.161 0.000 1.908 415 A HA -0.145 4.182 4.320 0.011 0.000 0.218 415 A C 2.337 179.953 177.584 0.053 0.000 1.181 415 A CA 1.843 53.755 52.037 -0.208 0.000 0.627 415 A CB -1.658 16.939 19.000 -0.671 0.000 0.818 415 A HN 0.571 nan 8.150 nan 0.000 0.445 416 G N -0.818 108.062 108.800 0.132 0.000 2.421 416 G HA2 -0.198 3.769 3.960 0.011 0.000 0.216 416 G HA3 -0.198 3.769 3.960 0.011 0.000 0.216 416 G C 1.694 176.675 174.900 0.134 0.000 1.171 416 G CA 0.803 46.044 45.100 0.235 0.000 0.775 416 G HN 0.397 nan 8.290 nan 0.000 0.543 417 R N 0.289 120.835 120.500 0.077 0.000 2.066 417 R HA 0.119 4.466 4.340 0.011 0.000 0.232 417 R C 2.696 179.059 176.300 0.106 0.000 1.131 417 R CA 0.531 56.682 56.100 0.085 0.000 0.955 417 R CB -1.256 29.084 30.300 0.067 0.000 0.851 417 R HN 0.396 nan 8.270 nan 0.000 0.432 418 L N 0.337 121.570 121.223 0.017 0.000 2.012 418 L HA -0.169 4.177 4.340 0.011 0.000 0.210 418 L C 2.593 179.524 176.870 0.102 0.000 1.073 418 L CA 1.604 56.433 54.840 -0.018 0.000 0.748 418 L CB -0.737 41.217 42.059 -0.175 0.000 0.891 418 L HN 0.167 nan 8.230 nan 0.000 0.431 419 A N -0.020 122.865 122.820 0.109 0.000 1.898 419 A HA -0.118 4.209 4.320 0.011 0.000 0.216 419 A C 2.503 180.147 177.584 0.099 0.000 1.181 419 A CA 1.579 53.685 52.037 0.116 0.000 0.620 419 A CB -0.656 18.444 19.000 0.168 0.000 0.819 419 A HN 0.402 nan 8.150 nan 0.000 0.442 420 A N -1.219 121.663 122.820 0.104 0.000 2.070 420 A HA -0.111 4.215 4.320 0.011 0.000 0.220 420 A C 1.803 179.442 177.584 0.092 0.000 1.159 420 A CA 1.551 53.638 52.037 0.084 0.000 0.656 420 A CB -0.281 18.767 19.000 0.080 0.000 0.800 420 A HN 0.610 nan 8.150 nan 0.000 0.453 421 Q N -1.943 117.943 119.800 0.143 0.000 2.186 421 Q HA 0.391 4.738 4.340 0.011 0.000 0.241 421 Q C 0.789 176.883 176.000 0.157 0.000 0.849 421 Q CA 0.390 56.284 55.803 0.152 0.000 1.053 421 Q CB 0.620 29.495 28.738 0.228 0.000 1.146 421 Q HN 0.758 nan 8.270 nan 0.000 0.475 422 G N -0.351 108.524 108.800 0.126 0.000 2.201 422 G HA2 -0.238 3.729 3.960 0.011 0.000 0.212 422 G HA3 -0.238 3.729 3.960 0.011 0.000 0.212 422 G C 0.276 175.242 174.900 0.111 0.000 0.994 422 G CA -0.230 44.928 45.100 0.097 0.000 0.644 422 G HN 0.504 nan 8.290 nan 0.000 0.508 423 A N 0.048 122.957 122.820 0.148 0.000 2.351 423 A HA 0.749 5.075 4.320 0.011 0.000 0.257 423 A C 0.590 178.214 177.584 0.066 0.000 1.087 423 A CA 0.405 52.515 52.037 0.120 0.000 0.798 423 A CB 0.370 19.436 19.000 0.110 0.000 1.033 423 A HN 0.728 nan 8.150 nan 0.000 0.488 424 R N 1.424 121.958 120.500 0.057 0.000 2.216 424 R HA 0.485 4.831 4.340 0.011 0.000 0.332 424 R C -1.366 174.926 176.300 -0.014 0.000 1.056 424 R CA -0.036 56.061 56.100 -0.004 0.000 0.901 424 R CB 0.358 30.675 30.300 0.030 0.000 1.039 424 R HN 0.463 nan 8.270 nan 0.000 0.456 425 V N 5.821 125.663 119.914 -0.119 0.000 2.495 425 V HA 0.406 4.533 4.120 0.011 0.000 0.298 425 V C -1.045 174.898 176.094 -0.251 0.000 1.031 425 V CA -0.784 61.472 62.300 -0.074 0.000 0.871 425 V CB 1.502 33.346 31.823 0.035 0.000 0.988 425 V HN 0.648 nan 8.190 nan 0.000 0.432 426 Y N 2.127 122.400 120.300 -0.044 0.000 2.393 426 Y HA 0.799 5.354 4.550 0.009 0.000 0.341 426 Y C 0.318 176.293 175.900 0.125 0.000 0.988 426 Y CA -0.589 57.479 58.100 -0.052 0.000 1.078 426 Y CB 2.217 40.294 38.460 -0.638 0.000 1.203 426 Y HN 0.758 nan 8.280 nan 0.000 0.453 427 A N 3.087 126.279 122.820 0.619 0.000 2.401 427 A HA 0.850 5.176 4.320 0.011 0.000 0.310 427 A C -1.845 176.122 177.584 0.638 0.000 1.075 427 A CA -0.708 51.569 52.037 0.401 0.000 0.746 427 A CB 0.927 19.998 19.000 0.118 0.000 1.277 427 A HN 0.748 nan 8.150 nan 0.000 0.425 428 Y N -0.302 120.235 120.300 0.394 0.000 2.581 428 Y HA 0.800 5.356 4.550 0.009 0.000 0.345 428 Y C -1.093 174.984 175.900 0.296 0.000 1.036 428 Y CA -1.621 56.657 58.100 0.297 0.000 1.042 428 Y CB 1.359 39.990 38.460 0.284 0.000 1.289 428 Y HN 0.679 nan 8.280 nan 0.000 0.471 429 I N 3.359 124.234 120.570 0.508 0.000 2.436 429 I HA 0.454 4.630 4.170 0.011 0.000 0.289 429 I C -1.778 174.671 176.117 0.554 0.000 1.010 429 I CA -1.044 60.526 61.300 0.450 0.000 1.098 429 I CB 1.058 39.275 38.000 0.362 0.000 1.266 429 I HN 0.747 nan 8.210 nan 0.000 0.434 430 F N 7.368 127.606 119.950 0.480 0.000 2.405 430 F HA 0.396 4.930 4.527 0.012 0.000 0.355 430 F C 0.501 176.458 175.800 0.262 0.000 1.121 430 F CA 0.036 58.260 58.000 0.372 0.000 1.112 430 F CB 0.869 40.109 39.000 0.400 0.000 1.126 430 F HN 0.539 nan 8.300 nan 0.000 0.481 431 E N 3.177 123.251 120.200 -0.210 0.000 2.660 431 E HA -0.014 4.342 4.350 0.011 0.000 0.216 431 E C -0.820 175.658 176.600 -0.203 0.000 0.986 431 E CA -0.189 56.158 56.400 -0.088 0.000 1.037 431 E CB 0.294 29.972 29.700 -0.036 0.000 1.041 431 E HN 0.530 nan 8.360 nan 0.000 0.480 432 H N 1.629 120.330 119.070 -0.614 0.000 2.562 432 H HA 0.240 4.803 4.556 0.010 0.000 0.314 432 H C -0.415 174.869 175.328 -0.074 0.000 1.079 432 H CA -0.430 55.342 56.048 -0.460 0.000 1.349 432 H CB 0.568 29.846 29.762 -0.808 0.000 1.432 432 H HN -0.140 nan 8.280 nan 0.000 0.479 433 R N 4.103 124.241 120.500 -0.604 0.000 2.221 433 R HA 0.493 4.840 4.340 0.011 0.000 0.327 433 R C -0.601 175.421 176.300 -0.464 0.000 1.033 433 R CA -0.644 55.266 56.100 -0.316 0.000 0.887 433 R CB 0.419 30.626 30.300 -0.155 0.000 1.057 433 R HN 0.815 nan 8.270 nan 0.000 0.455 434 A N 2.996 125.847 122.820 0.051 0.000 2.546 434 A HA 0.009 4.336 4.320 0.011 0.000 0.243 434 A C 1.331 179.010 177.584 0.158 0.000 1.063 434 A CA 0.475 52.735 52.037 0.371 0.000 0.757 434 A CB 0.336 19.692 19.000 0.594 0.000 0.991 434 A HN 1.011 nan 8.150 nan 0.000 0.503 435 S N 1.452 117.280 115.700 0.214 0.000 2.469 435 S HA -0.153 4.324 4.470 0.011 0.000 0.238 435 S C 1.308 175.905 174.600 -0.005 0.000 0.998 435 S CA 1.618 59.871 58.200 0.090 0.000 0.957 435 S CB -0.735 62.539 63.200 0.124 0.000 0.764 435 S HN 1.283 nan 8.310 nan 0.000 0.514 436 T N -1.085 113.434 114.554 -0.058 0.000 3.122 436 T HA 0.383 4.740 4.350 0.011 0.000 0.250 436 T C 0.276 174.916 174.700 -0.100 0.000 1.067 436 T CA -0.585 61.418 62.100 -0.162 0.000 0.966 436 T CB -0.441 68.184 68.868 -0.404 0.000 1.002 436 T HN 0.243 nan 8.240 nan 0.000 0.542 437 L N 3.827 125.034 121.223 -0.027 0.000 2.455 437 L HA 0.291 4.637 4.340 0.011 0.000 0.272 437 L C 1.629 178.456 176.870 -0.071 0.000 1.174 437 L CA 0.733 55.552 54.840 -0.034 0.000 0.869 437 L CB 0.960 43.013 42.059 -0.010 0.000 1.130 437 L HN 0.430 nan 8.230 nan 0.000 0.474 438 T N -0.541 113.929 114.554 -0.141 0.000 3.037 438 T HA 0.087 4.443 4.350 0.011 0.000 0.251 438 T C 0.449 175.138 174.700 -0.018 0.000 1.079 438 T CA -0.439 61.584 62.100 -0.128 0.000 1.067 438 T CB -0.310 68.393 68.868 -0.275 0.000 0.948 438 T HN 0.408 nan 8.240 nan 0.000 0.496 439 W N 3.575 124.886 121.300 0.019 0.000 2.112 439 W HA 0.366 5.033 4.660 0.012 0.000 0.349 439 W C -1.941 174.486 176.519 -0.152 0.000 1.289 439 W CA -1.999 55.325 57.345 -0.035 0.000 1.256 439 W CB 0.138 29.498 29.460 -0.168 0.000 1.148 439 W HN 0.029 nan 8.180 nan 0.000 0.590 440 P HA 0.054 nan 4.420 nan 0.000 0.274 440 P C 0.472 177.689 177.300 -0.139 0.000 1.256 440 P CA -0.108 62.953 63.100 -0.063 0.000 0.795 440 P CB 0.889 32.563 31.700 -0.044 0.000 1.038 441 L N -0.060 121.146 121.223 -0.028 0.000 2.083 441 L HA -0.129 4.217 4.340 0.011 0.000 0.209 441 L C 2.606 179.493 176.870 0.028 0.000 1.083 441 L CA 1.437 56.281 54.840 0.006 0.000 0.752 441 L CB -0.868 41.227 42.059 0.060 0.000 0.899 441 L HN 0.598 nan 8.230 nan 0.000 0.433 442 W N -0.468 120.869 121.300 0.062 0.000 2.392 442 W HA -0.175 4.491 4.660 0.010 0.000 0.279 442 W C 1.780 178.350 176.519 0.084 0.000 1.225 442 W CA 0.594 57.979 57.345 0.066 0.000 1.233 442 W CB -0.851 28.647 29.460 0.063 0.000 1.122 442 W HN 0.168 nan 8.180 nan 0.000 0.561 443 M N 1.418 120.608 119.600 -0.684 0.000 2.557 443 M HA 0.086 4.573 4.480 0.011 0.000 0.259 443 M C 1.815 178.003 176.300 -0.186 0.000 1.086 443 M CA 1.592 56.497 55.300 -0.658 0.000 1.096 443 M CB -0.878 31.191 32.600 -0.884 0.000 1.424 443 M HN 0.226 nan 8.290 nan 0.000 0.488 444 G N 0.700 109.454 108.800 -0.076 0.000 2.591 444 G HA2 -0.295 3.672 3.960 0.011 0.000 0.298 444 G HA3 -0.295 3.672 3.960 0.011 0.000 0.298 444 G C -0.105 174.806 174.900 0.018 0.000 1.195 444 G CA -0.103 45.004 45.100 0.012 0.000 0.989 444 G HN 0.252 nan 8.290 nan 0.000 0.551 445 V N 3.663 123.631 119.914 0.090 0.000 2.259 445 V HA 0.463 4.590 4.120 0.011 0.000 0.267 445 V C -1.850 174.372 176.094 0.213 0.000 1.051 445 V CA -0.771 61.632 62.300 0.173 0.000 0.830 445 V CB 1.056 33.029 31.823 0.250 0.000 1.080 445 V HN 0.528 nan 8.190 nan 0.000 0.467 446 P HA 0.190 nan 4.420 nan 0.000 0.276 446 P C -0.149 177.364 177.300 0.356 0.000 1.252 446 P CA -0.579 62.640 63.100 0.198 0.000 0.802 446 P CB 0.360 32.063 31.700 0.005 0.000 1.035 447 H N 0.948 120.104 119.070 0.143 0.000 3.232 447 H HA 0.137 4.699 4.556 0.010 0.000 0.276 447 H C 1.589 176.843 175.328 -0.123 0.000 0.882 447 H CA 2.470 58.534 56.048 0.026 0.000 1.415 447 H CB -0.896 28.842 29.762 -0.039 0.000 1.405 447 H HN 0.761 nan 8.280 nan 0.000 0.543 448 G N 3.521 112.109 108.800 -0.353 0.000 2.213 448 G HA2 -0.310 3.656 3.960 0.011 0.000 0.236 448 G HA3 -0.310 3.656 3.960 0.011 0.000 0.236 448 G C 0.607 175.343 174.900 -0.273 0.000 0.991 448 G CA 0.304 45.126 45.100 -0.464 0.000 0.629 448 G HN 0.632 nan 8.290 nan 0.000 0.517 449 Y N 1.587 121.973 120.300 0.142 0.000 2.470 449 Y HA 0.238 4.794 4.550 0.010 0.000 0.284 449 Y C 2.329 178.361 175.900 0.219 0.000 1.188 449 Y CA 0.911 59.168 58.100 0.261 0.000 1.269 449 Y CB 0.408 39.059 38.460 0.317 0.000 1.094 449 Y HN 0.500 nan 8.280 nan 0.000 0.518 450 E N 0.348 120.514 120.200 -0.057 0.000 2.318 450 E HA -0.074 4.282 4.350 0.011 0.000 0.193 450 E C 1.636 178.140 176.600 -0.160 0.000 0.998 450 E CA 0.728 56.791 56.400 -0.562 0.000 0.859 450 E CB -0.401 28.554 29.700 -1.242 0.000 0.812 450 E HN 0.537 nan 8.360 nan 0.000 0.492 451 I N 2.862 123.415 120.570 -0.028 0.000 2.163 451 I HA -0.316 3.860 4.170 0.011 0.000 0.243 451 I C 2.745 178.869 176.117 0.013 0.000 1.085 451 I CA 2.163 63.491 61.300 0.047 0.000 1.347 451 I CB -0.619 37.467 38.000 0.144 0.000 1.044 451 I HN 0.218 nan 8.210 nan 0.000 0.408 452 E N 1.223 121.377 120.200 -0.077 0.000 2.219 452 E HA -0.254 4.102 4.350 0.011 0.000 0.198 452 E C 2.026 178.363 176.600 -0.439 0.000 0.998 452 E CA 1.618 57.863 56.400 -0.259 0.000 0.818 452 E CB -0.566 28.962 29.700 -0.286 0.000 0.741 452 E HN 0.471 nan 8.360 nan 0.000 0.477 453 F N 1.035 120.879 119.950 -0.178 0.000 2.149 453 F HA 0.085 4.620 4.527 0.014 0.000 0.294 453 F C 2.340 177.909 175.800 -0.385 0.000 1.095 453 F CA 0.678 58.512 58.000 -0.277 0.000 1.276 453 F CB -0.222 38.682 39.000 -0.160 0.000 1.023 453 F HN -0.088 nan 8.300 nan 0.000 0.480 454 I N -1.040 119.367 120.570 -0.272 0.000 2.286 454 I HA -0.302 3.875 4.170 0.011 0.000 0.248 454 I C 1.921 177.778 176.117 -0.435 0.000 1.115 454 I CA 1.431 62.401 61.300 -0.550 0.000 1.392 454 I CB -0.466 37.030 38.000 -0.840 0.000 1.065 454 I HN 0.010 nan 8.210 nan 0.000 0.418 455 F N 0.637 120.395 119.950 -0.319 0.000 2.558 455 F HA 0.101 4.635 4.527 0.011 0.000 0.298 455 F C 1.917 177.572 175.800 -0.242 0.000 1.119 455 F CA 0.996 58.851 58.000 -0.241 0.000 1.451 455 F CB -0.234 38.614 39.000 -0.254 0.000 1.091 455 F HN 0.196 nan 8.300 nan 0.000 0.563 456 G N -0.212 108.424 108.800 -0.274 0.000 2.132 456 G HA2 -0.279 3.688 3.960 0.011 0.000 0.228 456 G HA3 -0.279 3.688 3.960 0.011 0.000 0.228 456 G C 0.914 175.198 174.900 -1.027 0.000 1.000 456 G CA 0.266 45.069 45.100 -0.496 0.000 0.693 456 G HN 0.272 nan 8.290 nan 0.000 0.515 457 L N 0.479 121.155 121.223 -0.913 0.000 2.079 457 L HA 0.033 4.380 4.340 0.011 0.000 0.210 457 L C 0.427 176.768 176.870 -0.882 0.000 1.081 457 L CA 2.710 56.972 54.840 -0.964 0.000 0.752 457 L CB -1.020 40.736 42.059 -0.505 0.000 0.896 457 L HN 0.205 nan 8.230 nan 0.000 0.433 458 P HA -0.167 nan 4.420 nan 0.000 0.222 458 P C 1.723 178.779 177.300 -0.408 0.000 1.142 458 P CA 1.068 63.620 63.100 -0.914 0.000 0.788 458 P CB -0.060 31.067 31.700 -0.954 0.000 0.767 459 L N -1.403 119.532 121.223 -0.480 0.000 2.376 459 L HA -0.036 4.310 4.340 0.011 0.000 0.219 459 L C 0.919 177.708 176.870 -0.134 0.000 1.133 459 L CA 0.901 55.580 54.840 -0.268 0.000 0.816 459 L CB -0.852 41.063 42.059 -0.239 0.000 0.933 459 L HN 0.051 nan 8.230 nan 0.000 0.449 460 D N 1.553 121.844 120.400 -0.182 0.000 2.352 460 D HA 0.087 4.734 4.640 0.011 0.000 0.245 460 D C -1.353 174.963 176.300 0.026 0.000 1.224 460 D CA -2.176 51.836 54.000 0.020 0.000 0.879 460 D CB 1.439 42.291 40.800 0.086 0.000 1.057 460 D HN -0.034 nan 8.370 nan 0.000 0.491 461 P HA -0.147 nan 4.420 nan 0.000 0.222 461 P C 1.165 178.483 177.300 0.030 0.000 1.147 461 P CA 0.697 63.818 63.100 0.034 0.000 0.790 461 P CB 0.057 31.772 31.700 0.026 0.000 0.780 462 S N -0.539 115.178 115.700 0.027 0.000 2.507 462 S HA -0.049 4.428 4.470 0.011 0.000 0.235 462 S C 1.816 176.414 174.600 -0.004 0.000 0.988 462 S CA 0.572 58.778 58.200 0.009 0.000 0.944 462 S CB -1.383 61.823 63.200 0.009 0.000 0.762 462 S HN 0.132 nan 8.310 nan 0.000 0.526 463 L N 0.614 121.850 121.223 0.021 0.000 2.591 463 L HA 0.199 4.545 4.340 0.011 0.000 0.228 463 L C 0.256 177.062 176.870 -0.108 0.000 1.133 463 L CA -0.027 54.808 54.840 -0.008 0.000 0.880 463 L CB -0.671 41.458 42.059 0.118 0.000 1.033 463 L HN 0.237 nan 8.230 nan 0.000 0.450 464 N N -1.685 116.992 118.700 -0.040 0.000 2.782 464 N HA -0.226 4.521 4.740 0.011 0.000 0.251 464 N C -0.366 175.087 175.510 -0.094 0.000 1.101 464 N CA 0.833 53.838 53.050 -0.075 0.000 0.764 464 N CB -1.822 36.593 38.487 -0.121 0.000 1.122 464 N HN 0.290 nan 8.380 nan 0.000 0.561 465 Y N 0.964 121.251 120.300 -0.022 0.000 2.357 465 Y HA 0.175 4.732 4.550 0.011 0.000 0.340 465 Y C 1.979 177.901 175.900 0.037 0.000 1.260 465 Y CA 0.298 58.410 58.100 0.021 0.000 1.425 465 Y CB 0.413 38.874 38.460 0.002 0.000 1.326 465 Y HN 0.081 nan 8.280 nan 0.000 0.580 466 T N -2.802 111.901 114.554 0.249 0.000 2.813 466 T HA 0.043 4.400 4.350 0.011 0.000 0.297 466 T C 1.135 175.915 174.700 0.132 0.000 1.036 466 T CA -0.342 61.849 62.100 0.153 0.000 1.044 466 T CB 0.910 69.860 68.868 0.137 0.000 0.993 466 T HN 0.725 nan 8.240 nan 0.000 0.535 467 T N 1.409 116.011 114.554 0.081 0.000 2.720 467 T HA -0.107 4.249 4.350 0.011 0.000 0.268 467 T C 1.779 176.512 174.700 0.056 0.000 1.037 467 T CA 1.983 64.117 62.100 0.056 0.000 1.144 467 T CB -0.428 68.462 68.868 0.036 0.000 0.864 467 T HN 0.786 nan 8.240 nan 0.000 0.444 468 E N 1.089 121.321 120.200 0.053 0.000 2.106 468 E HA -0.085 4.272 4.350 0.011 0.000 0.192 468 E C 2.238 178.876 176.600 0.062 0.000 0.984 468 E CA 0.937 57.355 56.400 0.029 0.000 0.806 468 E CB -0.160 29.532 29.700 -0.012 0.000 0.750 468 E HN 0.565 nan 8.360 nan 0.000 0.458 469 E N 0.444 120.720 120.200 0.127 0.000 2.110 469 E HA -0.162 4.195 4.350 0.011 0.000 0.193 469 E C 2.115 178.835 176.600 0.201 0.000 0.988 469 E CA 0.486 57.047 56.400 0.268 0.000 0.804 469 E CB -0.025 29.960 29.700 0.474 0.000 0.745 469 E HN 0.091 nan 8.360 nan 0.000 0.458 470 R N 0.781 121.332 120.500 0.086 0.000 2.083 470 R HA -0.162 4.185 4.340 0.011 0.000 0.237 470 R C 2.274 178.578 176.300 0.008 0.000 1.137 470 R CA 1.292 57.389 56.100 -0.005 0.000 0.951 470 R CB -0.301 29.995 30.300 -0.006 0.000 0.851 470 R HN 0.191 nan 8.270 nan 0.000 0.434 471 I N 0.117 120.713 120.570 0.044 0.000 2.286 471 I HA -0.280 3.896 4.170 0.011 0.000 0.248 471 I C 2.231 178.395 176.117 0.078 0.000 1.115 471 I CA 0.915 62.238 61.300 0.039 0.000 1.392 471 I CB -0.327 37.695 38.000 0.037 0.000 1.065 471 I HN 0.142 nan 8.210 nan 0.000 0.418 472 F N 1.919 121.832 119.950 -0.062 0.000 2.102 472 F HA -0.227 4.306 4.527 0.010 0.000 0.298 472 F C 2.469 178.259 175.800 -0.017 0.000 1.105 472 F CA 1.298 59.252 58.000 -0.075 0.000 1.239 472 F CB -0.744 38.151 39.000 -0.175 0.000 0.991 472 F HN 0.023 nan 8.300 nan 0.000 0.474 473 A N 0.168 122.936 122.820 -0.086 0.000 1.892 473 A HA -0.285 4.042 4.320 0.011 0.000 0.218 473 A C 2.165 179.615 177.584 -0.223 0.000 1.188 473 A CA 2.071 53.989 52.037 -0.197 0.000 0.631 473 A CB -1.025 17.862 19.000 -0.188 0.000 0.822 473 A HN 0.629 nan 8.150 nan 0.000 0.447 474 Q N -0.929 118.781 119.800 -0.151 0.000 2.096 474 Q HA -0.194 4.152 4.340 0.011 0.000 0.204 474 Q C 2.399 178.294 176.000 -0.175 0.000 0.982 474 Q CA 1.599 57.321 55.803 -0.135 0.000 0.850 474 Q CB -0.205 28.482 28.738 -0.085 0.000 0.901 474 Q HN 0.630 nan 8.270 nan 0.000 0.422 475 R N 0.325 120.708 120.500 -0.195 0.000 2.083 475 R HA -0.141 4.206 4.340 0.011 0.000 0.237 475 R C 2.353 178.396 176.300 -0.429 0.000 1.137 475 R CA 1.309 57.212 56.100 -0.329 0.000 0.951 475 R CB -0.366 29.816 30.300 -0.197 0.000 0.851 475 R HN 0.251 nan 8.270 nan 0.000 0.434 476 L N 0.052 121.107 121.223 -0.280 0.000 2.017 476 L HA -0.206 4.140 4.340 0.011 0.000 0.208 476 L C 2.578 179.404 176.870 -0.074 0.000 1.073 476 L CA 1.405 56.170 54.840 -0.125 0.000 0.745 476 L CB -0.390 41.424 42.059 -0.409 0.000 0.894 476 L HN 0.262 nan 8.230 nan 0.000 0.432 477 M N -0.611 118.878 119.600 -0.184 0.000 2.108 477 M HA -0.231 4.256 4.480 0.011 0.000 0.261 477 M C 2.337 178.624 176.300 -0.020 0.000 1.066 477 M CA 1.716 56.940 55.300 -0.127 0.000 1.107 477 M CB -0.376 32.137 32.600 -0.145 0.000 1.356 477 M HN 0.108 nan 8.290 nan 0.000 0.406 478 K N -0.308 120.046 120.400 -0.077 0.000 2.026 478 K HA -0.153 4.173 4.320 0.011 0.000 0.208 478 K C 1.925 178.564 176.600 0.066 0.000 1.048 478 K CA 1.623 57.873 56.287 -0.061 0.000 0.929 478 K CB -0.431 31.967 32.500 -0.170 0.000 0.713 478 K HN 0.318 nan 8.250 nan 0.000 0.439 479 Y N -0.054 120.362 120.300 0.194 0.000 2.097 479 Y HA -0.233 4.325 4.550 0.013 0.000 0.282 479 Y C 2.387 178.409 175.900 0.204 0.000 1.152 479 Y CA 0.838 59.085 58.100 0.245 0.000 1.136 479 Y CB -0.818 37.929 38.460 0.480 0.000 0.975 479 Y HN 0.232 nan 8.280 nan 0.000 0.498 480 W N 0.511 121.872 121.300 0.103 0.000 2.381 480 W HA -0.203 4.463 4.660 0.010 0.000 0.301 480 W C 2.432 178.939 176.519 -0.020 0.000 1.205 480 W CA 2.125 59.465 57.345 -0.009 0.000 1.285 480 W CB -0.500 28.875 29.460 -0.141 0.000 1.133 480 W HN 0.237 nan 8.180 nan 0.000 0.521 481 T N -2.373 112.280 114.554 0.166 0.000 2.942 481 T HA -0.112 4.245 4.350 0.011 0.000 0.265 481 T C 1.411 176.134 174.700 0.039 0.000 1.062 481 T CA 1.011 63.143 62.100 0.054 0.000 1.139 481 T CB -0.545 68.333 68.868 0.016 0.000 0.883 481 T HN -0.082 nan 8.240 nan 0.000 0.468 482 N N 1.035 119.773 118.700 0.064 0.000 2.120 482 N HA -0.009 4.738 4.740 0.011 0.000 0.188 482 N C 1.387 176.891 175.510 -0.010 0.000 1.024 482 N CA 1.037 54.104 53.050 0.028 0.000 0.852 482 N CB -0.694 37.826 38.487 0.055 0.000 1.003 482 N HN 0.462 nan 8.380 nan 0.000 0.424 483 F N 1.803 121.664 119.950 -0.149 0.000 2.126 483 F HA -0.123 4.411 4.527 0.011 0.000 0.299 483 F C 2.201 177.920 175.800 -0.135 0.000 1.096 483 F CA 1.375 59.240 58.000 -0.223 0.000 1.255 483 F CB -0.441 38.337 39.000 -0.370 0.000 0.997 483 F HN 0.038 nan 8.300 nan 0.000 0.479 484 A N 0.642 123.410 122.820 -0.086 0.000 1.883 484 A HA -0.217 4.110 4.320 0.011 0.000 0.217 484 A C 2.355 179.839 177.584 -0.166 0.000 1.186 484 A CA 1.939 53.899 52.037 -0.128 0.000 0.624 484 A CB -0.756 18.225 19.000 -0.031 0.000 0.822 484 A HN 0.472 nan 8.150 nan 0.000 0.444 485 R N -1.238 119.191 120.500 -0.118 0.000 2.075 485 R HA -0.072 4.274 4.340 0.011 0.000 0.232 485 R C 1.976 178.194 176.300 -0.136 0.000 1.126 485 R CA 1.850 57.891 56.100 -0.099 0.000 0.963 485 R CB -0.244 30.022 30.300 -0.056 0.000 0.858 485 R HN 0.740 nan 8.270 nan 0.000 0.435 486 T N -5.450 108.997 114.554 -0.179 0.000 3.016 486 T HA 0.235 4.591 4.350 0.011 0.000 0.271 486 T C 1.149 175.719 174.700 -0.218 0.000 0.968 486 T CA 0.351 62.357 62.100 -0.157 0.000 0.891 486 T CB 1.309 70.122 68.868 -0.093 0.000 1.149 486 T HN 0.322 nan 8.240 nan 0.000 0.524 487 G N 1.411 109.948 108.800 -0.438 0.000 2.153 487 G HA2 -0.170 3.796 3.960 0.011 0.000 0.252 487 G HA3 -0.170 3.796 3.960 0.011 0.000 0.252 487 G C -0.361 174.442 174.900 -0.161 0.000 0.994 487 G CA 0.257 45.025 45.100 -0.554 0.000 0.698 487 G HN 0.820 nan 8.290 nan 0.000 0.521 488 D N -0.870 119.433 120.400 -0.161 0.000 2.763 488 D HA 0.425 5.072 4.640 0.011 0.000 0.235 488 D C -1.323 174.823 176.300 -0.257 0.000 1.334 488 D CA -1.583 52.288 54.000 -0.215 0.000 0.950 488 D CB 1.939 42.702 40.800 -0.061 0.000 1.433 488 D HN -0.008 nan 8.370 nan 0.000 0.580 489 P HA -0.050 nan 4.420 nan 0.000 0.226 489 P C 0.073 177.396 177.300 0.039 0.000 1.153 489 P CA 0.170 63.103 63.100 -0.278 0.000 0.777 489 P CB 0.375 31.605 31.700 -0.784 0.000 0.794 490 N N 1.453 120.141 118.700 -0.020 0.000 2.482 490 N HA 0.008 4.754 4.740 0.011 0.000 0.260 490 N C 0.114 175.692 175.510 0.113 0.000 1.236 490 N CA 0.385 53.519 53.050 0.140 0.000 0.938 490 N CB 0.541 39.099 38.487 0.119 0.000 1.128 490 N HN 0.064 nan 8.380 nan 0.000 0.448 491 D N 1.354 121.834 120.400 0.133 0.000 2.312 491 D HA 0.129 4.775 4.640 0.011 0.000 0.252 491 D C -1.498 174.841 176.300 0.065 0.000 1.150 491 D CA -1.594 52.454 54.000 0.080 0.000 0.870 491 D CB 1.446 42.286 40.800 0.067 0.000 1.153 491 D HN 0.235 nan 8.370 nan 0.000 0.457 492 P HA -0.051 nan 4.420 nan 0.000 0.218 492 P C 1.058 178.381 177.300 0.038 0.000 1.149 492 P CA 0.988 64.111 63.100 0.039 0.000 0.817 492 P CB 0.444 32.159 31.700 0.025 0.000 0.785 493 R N -0.852 119.669 120.500 0.034 0.000 2.055 493 R HA 0.033 4.380 4.340 0.011 0.000 0.226 493 R C 1.179 177.500 176.300 0.036 0.000 1.135 493 R CA 0.504 56.622 56.100 0.030 0.000 0.959 493 R CB -0.868 29.447 30.300 0.024 0.000 0.854 493 R HN 0.186 nan 8.270 nan 0.000 0.431 494 D N 0.378 120.804 120.400 0.043 0.000 2.368 494 D HA 0.096 4.743 4.640 0.011 0.000 0.240 494 D C -0.841 175.494 176.300 0.059 0.000 1.169 494 D CA 0.669 54.698 54.000 0.049 0.000 0.906 494 D CB 1.187 42.020 40.800 0.055 0.000 1.187 494 D HN -0.071 nan 8.370 nan 0.000 0.435 495 S N 0.000 115.735 115.700 0.058 0.000 2.605 495 S HA 0.451 4.928 4.470 0.011 0.000 0.279 495 S C -1.209 173.427 174.600 0.060 0.000 1.166 495 S CA 0.101 58.339 58.200 0.064 0.000 0.975 495 S CB 0.381 63.614 63.200 0.056 0.000 1.111 495 S HN 0.745 nan 8.310 nan 0.000 0.465 496 K N 1.676 122.118 120.400 0.069 0.000 4.405 496 K HA -0.119 4.208 4.320 0.011 0.000 0.287 496 K C 0.193 176.824 176.600 0.052 0.000 0.905 496 K CA 1.212 57.535 56.287 0.060 0.000 0.867 496 K CB -2.714 29.815 32.500 0.049 0.000 1.652 496 K HN 1.866 nan 8.250 nan 0.000 0.435 497 S N 1.547 117.282 115.700 0.058 0.000 4.588 497 S HA -0.035 4.441 4.470 0.011 0.000 0.498 497 S C -1.031 173.630 174.600 0.101 0.000 0.720 497 S CA 0.214 58.462 58.200 0.080 0.000 1.257 497 S CB -0.184 63.068 63.200 0.085 0.000 1.968 497 S HN 0.794 nan 8.310 nan 0.000 0.362 498 P HA 0.090 nan 4.420 nan 0.000 0.269 498 P C -0.391 176.995 177.300 0.143 0.000 1.209 498 P CA -0.175 62.984 63.100 0.098 0.000 0.776 498 P CB 0.471 32.212 31.700 0.069 0.000 0.876 499 Q N 0.712 120.599 119.800 0.144 0.000 2.227 499 Q HA 0.216 4.563 4.340 0.011 0.000 0.245 499 Q C -0.642 175.512 176.000 0.258 0.000 0.926 499 Q CA -0.062 55.861 55.803 0.201 0.000 0.895 499 Q CB 1.204 30.047 28.738 0.173 0.000 1.230 499 Q HN 0.582 nan 8.270 nan 0.000 0.450 500 W N 6.000 127.355 121.300 0.092 0.000 2.311 500 W HA 0.339 5.006 4.660 0.011 0.000 0.317 500 W C -2.490 174.172 176.519 0.239 0.000 1.065 500 W CA -2.518 54.893 57.345 0.109 0.000 1.364 500 W CB 0.528 29.988 29.460 -0.001 0.000 1.233 500 W HN 0.372 nan 8.180 nan 0.000 0.409 501 P HA 0.267 nan 4.420 nan 0.000 0.277 501 P C -2.595 174.930 177.300 0.375 0.000 1.240 501 P CA -1.662 61.665 63.100 0.380 0.000 0.798 501 P CB 0.898 32.733 31.700 0.225 0.000 0.979 502 P HA 0.042 nan 4.420 nan 0.000 0.269 502 P C -0.531 176.779 177.300 0.016 0.000 1.209 502 P CA 0.157 63.087 63.100 -0.283 0.000 0.776 502 P CB 0.045 31.511 31.700 -0.389 0.000 0.876 503 Y N 2.598 122.862 120.300 -0.060 0.000 2.442 503 Y HA 0.305 4.864 4.550 0.015 0.000 0.330 503 Y C 0.383 176.279 175.900 -0.007 0.000 1.129 503 Y CA 0.679 58.800 58.100 0.034 0.000 1.365 503 Y CB 0.246 38.743 38.460 0.063 0.000 1.233 503 Y HN 0.381 nan 8.280 nan 0.000 0.529 504 T N 0.387 114.651 114.554 -0.483 0.000 2.906 504 T HA 0.224 4.580 4.350 0.011 0.000 0.295 504 T C 0.909 175.308 174.700 -0.501 0.000 1.061 504 T CA -0.223 61.678 62.100 -0.331 0.000 1.000 504 T CB 1.336 70.104 68.868 -0.166 0.000 1.103 504 T HN 0.679 nan 8.240 nan 0.000 0.486 505 T N -0.380 114.037 114.554 -0.228 0.000 2.833 505 T HA -0.051 4.306 4.350 0.011 0.000 0.269 505 T C 2.250 176.879 174.700 -0.119 0.000 1.054 505 T CA 1.090 63.107 62.100 -0.139 0.000 1.135 505 T CB -0.818 68.039 68.868 -0.017 0.000 0.869 505 T HN 0.862 nan 8.240 nan 0.000 0.466 506 A N 1.718 124.476 122.820 -0.103 0.000 1.855 506 A HA 0.452 4.779 4.320 0.011 0.000 0.215 506 A C 2.666 180.207 177.584 -0.071 0.000 1.191 506 A CA 1.826 53.825 52.037 -0.063 0.000 0.613 506 A CB -1.138 17.836 19.000 -0.044 0.000 0.829 506 A HN 0.820 nan 8.150 nan 0.000 0.442 507 A N -2.775 119.978 122.820 -0.112 0.000 2.167 507 A HA 0.332 4.659 4.320 0.011 0.000 0.208 507 A C 0.916 178.439 177.584 -0.101 0.000 1.198 507 A CA 0.840 52.830 52.037 -0.078 0.000 0.863 507 A CB -0.077 18.891 19.000 -0.053 0.000 0.904 507 A HN 0.500 nan 8.150 nan 0.000 0.484 508 Q N -0.235 119.392 119.800 -0.288 0.000 2.475 508 Q HA -0.215 4.132 4.340 0.011 0.000 0.280 508 Q C -0.745 175.304 176.000 0.081 0.000 1.234 508 Q CA 0.698 56.290 55.803 -0.353 0.000 0.873 508 Q CB -1.790 26.931 28.738 -0.029 0.000 1.256 508 Q HN 0.837 nan 8.270 nan 0.000 0.475 509 Q N 0.437 120.279 119.800 0.069 0.000 2.288 509 Q HA 0.469 4.816 4.340 0.011 0.000 0.254 509 Q C -0.409 175.888 176.000 0.495 0.000 0.932 509 Q CA -0.025 55.919 55.803 0.235 0.000 0.902 509 Q CB 0.588 29.401 28.738 0.127 0.000 1.203 509 Q HN 0.323 nan 8.270 nan 0.000 0.415 510 Y N -1.376 119.064 120.300 0.234 0.000 2.644 510 Y HA 0.739 5.301 4.550 0.019 0.000 0.338 510 Y C -1.051 174.864 175.900 0.024 0.000 1.119 510 Y CA -1.584 56.642 58.100 0.211 0.000 1.060 510 Y CB 0.512 39.090 38.460 0.197 0.000 1.294 510 Y HN 0.337 nan 8.280 nan 0.000 0.472 511 V N -0.511 119.321 119.914 -0.137 0.000 2.815 511 V HA 0.811 4.938 4.120 0.011 0.000 0.314 511 V C -0.255 175.734 176.094 -0.176 0.000 1.064 511 V CA -0.680 61.389 62.300 -0.386 0.000 0.952 511 V CB 1.297 32.629 31.823 -0.819 0.000 1.020 511 V HN 1.153 nan 8.190 nan 0.000 0.439 512 S N 4.021 119.623 115.700 -0.164 0.000 2.474 512 S HA 0.635 5.112 4.470 0.011 0.000 0.276 512 S C -0.375 174.188 174.600 -0.062 0.000 1.227 512 S CA -0.608 57.566 58.200 -0.043 0.000 1.050 512 S CB 0.290 63.459 63.200 -0.053 0.000 0.939 512 S HN 0.735 nan 8.310 nan 0.000 0.490 513 L N 4.496 125.735 121.223 0.026 0.000 2.259 513 L HA 0.477 4.824 4.340 0.011 0.000 0.288 513 L C -0.061 176.756 176.870 -0.088 0.000 1.051 513 L CA -0.402 54.489 54.840 0.085 0.000 0.824 513 L CB -0.268 41.934 42.059 0.238 0.000 1.206 513 L HN 0.913 nan 8.230 nan 0.000 0.429 514 N N 2.236 120.823 118.700 -0.189 0.000 3.439 514 N HA 0.310 5.056 4.740 0.011 0.000 0.313 514 N C 0.146 175.132 175.510 -0.873 0.000 1.598 514 N CA -0.946 51.716 53.050 -0.647 0.000 0.830 514 N CB 0.575 38.844 38.487 -0.364 0.000 1.849 514 N HN 0.184 nan 8.380 nan 0.000 0.598 515 L N -0.898 119.826 121.223 -0.831 0.000 2.376 515 L HA 0.127 4.474 4.340 0.011 0.000 0.219 515 L C 0.481 177.190 176.870 -0.268 0.000 1.133 515 L CA 0.816 55.285 54.840 -0.619 0.000 0.816 515 L CB -0.497 41.278 42.059 -0.473 0.000 0.933 515 L HN 0.345 nan 8.230 nan 0.000 0.449 516 K N 0.309 120.588 120.400 -0.201 0.000 2.098 516 K HA 0.322 4.649 4.320 0.011 0.000 0.257 516 K C -2.211 174.362 176.600 -0.046 0.000 0.999 516 K CA -2.005 54.223 56.287 -0.098 0.000 0.924 516 K CB 0.209 32.659 32.500 -0.083 0.000 1.028 516 K HN -0.238 nan 8.250 nan 0.000 0.466 517 P HA -0.035 nan 4.420 nan 0.000 0.267 517 P C -0.330 176.979 177.300 0.015 0.000 1.200 517 P CA -0.054 63.064 63.100 0.030 0.000 0.772 517 P CB 0.352 32.069 31.700 0.028 0.000 0.855 518 L N 1.677 122.924 121.223 0.040 0.000 2.653 518 L HA -0.106 4.241 4.340 0.011 0.000 0.288 518 L C 1.168 178.003 176.870 -0.059 0.000 1.243 518 L CA 0.917 55.736 54.840 -0.036 0.000 0.906 518 L CB -0.296 41.733 42.059 -0.050 0.000 1.154 518 L HN 0.530 nan 8.230 nan 0.000 0.498 519 E N 3.394 123.532 120.200 -0.102 0.000 2.199 519 E HA 0.428 4.785 4.350 0.011 0.000 0.269 519 E C -1.349 175.152 176.600 -0.165 0.000 0.899 519 E CA -0.829 55.509 56.400 -0.103 0.000 0.772 519 E CB 1.981 31.629 29.700 -0.087 0.000 1.155 519 E HN 0.304 nan 8.360 nan 0.000 0.408 520 V N 4.874 124.705 119.914 -0.139 0.000 2.432 520 V HA 0.409 4.536 4.120 0.011 0.000 0.275 520 V C 0.318 176.275 176.094 -0.228 0.000 1.043 520 V CA -0.272 61.923 62.300 -0.175 0.000 0.925 520 V CB 0.931 32.709 31.823 -0.075 0.000 0.985 520 V HN 0.700 nan 8.190 nan 0.000 0.466 521 R N 3.549 123.789 120.500 -0.435 0.000 2.919 521 R HA 0.767 5.113 4.340 0.011 0.000 0.260 521 R C -0.845 175.256 176.300 -0.332 0.000 1.067 521 R CA -1.071 54.747 56.100 -0.470 0.000 1.003 521 R CB 2.377 32.216 30.300 -0.769 0.000 1.192 521 R HN 0.577 nan 8.270 nan 0.000 0.488 522 R N -0.280 120.205 120.500 -0.024 0.000 2.534 522 R HA 0.473 4.820 4.340 0.011 0.000 0.301 522 R C -0.950 175.559 176.300 0.348 0.000 0.961 522 R CA -0.216 55.989 56.100 0.175 0.000 0.871 522 R CB 2.242 32.594 30.300 0.087 0.000 1.170 522 R HN 0.882 nan 8.270 nan 0.000 0.446 523 G N 2.721 111.765 108.800 0.406 0.000 3.450 523 G HA2 -0.238 3.728 3.960 0.011 0.000 0.668 523 G HA3 -0.238 3.728 3.960 0.011 0.000 0.668 523 G C -0.652 174.409 174.900 0.269 0.000 0.941 523 G CA -0.867 44.419 45.100 0.309 0.000 0.766 523 G HN 0.528 nan 8.290 nan 0.000 0.451 524 L N 4.149 125.419 121.223 0.079 0.000 2.385 524 L HA 0.303 4.650 4.340 0.011 0.000 0.285 524 L C 1.468 178.348 176.870 0.016 0.000 1.125 524 L CA -0.810 53.937 54.840 -0.154 0.000 0.890 524 L CB 0.155 42.045 42.059 -0.282 0.000 1.251 524 L HN 0.728 nan 8.230 nan 0.000 0.445 525 R N 1.990 122.536 120.500 0.077 0.000 3.251 525 R HA -0.278 4.069 4.340 0.011 0.000 0.249 525 R C 1.235 177.628 176.300 0.154 0.000 0.949 525 R CA 0.617 56.798 56.100 0.136 0.000 0.645 525 R CB -2.073 28.321 30.300 0.156 0.000 1.065 525 R HN 0.820 nan 8.270 nan 0.000 0.452 526 A N 0.788 123.696 122.820 0.146 0.000 1.869 526 A HA -0.288 4.038 4.320 0.011 0.000 0.218 526 A C 2.094 179.768 177.584 0.149 0.000 1.203 526 A CA 1.551 53.674 52.037 0.144 0.000 0.638 526 A CB -0.161 18.919 19.000 0.134 0.000 0.831 526 A HN 0.428 nan 8.150 nan 0.000 0.450 527 Q N -0.827 119.060 119.800 0.146 0.000 2.020 527 Q HA -0.115 4.231 4.340 0.011 0.000 0.202 527 Q C 2.326 178.439 176.000 0.189 0.000 0.982 527 Q CA 2.153 58.045 55.803 0.148 0.000 0.838 527 Q CB -1.289 27.527 28.738 0.129 0.000 0.899 527 Q HN 0.681 nan 8.270 nan 0.000 0.423 528 T N 0.484 115.176 114.554 0.231 0.000 2.788 528 T HA -0.131 4.226 4.350 0.011 0.000 0.268 528 T C 1.982 176.904 174.700 0.370 0.000 1.044 528 T CA 1.248 63.516 62.100 0.281 0.000 1.139 528 T CB -0.293 68.793 68.868 0.363 0.000 0.867 528 T HN 0.320 nan 8.240 nan 0.000 0.454 529 c N 1.492 120.291 118.600 0.332 0.000 2.456 529 c HA 0.291 4.868 4.570 0.011 0.000 0.279 529 c C 3.072 177.326 174.090 0.273 0.000 1.427 529 c CA -0.107 56.431 56.329 0.349 0.000 1.778 529 c CB -1.429 41.216 42.510 0.225 0.000 1.842 529 c HN 0.635 nan 8.230 nan 0.000 0.531 530 A N 0.221 123.168 122.820 0.212 0.000 1.930 530 A HA -0.150 4.177 4.320 0.011 0.000 0.217 530 A C 1.833 179.518 177.584 0.169 0.000 1.175 530 A CA 1.375 53.512 52.037 0.166 0.000 0.627 530 A CB -0.723 18.358 19.000 0.136 0.000 0.815 530 A HN 0.553 nan 8.150 nan 0.000 0.443 531 F N -0.679 119.257 119.950 -0.025 0.000 2.075 531 F HA -0.191 4.342 4.527 0.010 0.000 0.297 531 F C 1.964 177.712 175.800 -0.086 0.000 1.113 531 F CA 1.873 59.777 58.000 -0.160 0.000 1.218 531 F CB -0.565 38.077 39.000 -0.598 0.000 0.984 531 F HN 0.369 nan 8.300 nan 0.000 0.472 532 W N 0.616 121.887 121.300 -0.048 0.000 2.381 532 W HA -0.141 4.524 4.660 0.008 0.000 0.301 532 W C 2.181 178.639 176.519 -0.103 0.000 1.205 532 W CA 1.114 58.385 57.345 -0.125 0.000 1.285 532 W CB -0.548 28.973 29.460 0.102 0.000 1.133 532 W HN -0.016 nan 8.180 nan 0.000 0.521 533 N N -0.677 118.145 118.700 0.204 0.000 2.405 533 N HA 0.052 4.799 4.740 0.011 0.000 0.175 533 N C 1.432 176.974 175.510 0.053 0.000 1.051 533 N CA 0.814 53.934 53.050 0.116 0.000 0.899 533 N CB -0.052 38.504 38.487 0.116 0.000 1.000 533 N HN 0.246 nan 8.380 nan 0.000 0.451 534 R N -1.391 119.138 120.500 0.050 0.000 2.215 534 R HA 0.229 4.575 4.340 0.011 0.000 0.190 534 R C 1.434 177.746 176.300 0.019 0.000 0.968 534 R CA -0.073 56.052 56.100 0.042 0.000 1.122 534 R CB -0.250 30.098 30.300 0.080 0.000 1.151 534 R HN 0.028 nan 8.270 nan 0.000 0.582 535 F N 1.992 121.865 119.950 -0.128 0.000 2.094 535 F HA 0.063 4.596 4.527 0.011 0.000 0.291 535 F C 1.852 177.513 175.800 -0.232 0.000 1.109 535 F CA 1.218 59.121 58.000 -0.162 0.000 1.221 535 F CB -0.276 38.635 39.000 -0.147 0.000 1.014 535 F HN -0.156 nan 8.300 nan 0.000 0.473 536 L N 0.524 121.392 121.223 -0.590 0.000 2.013 536 L HA -0.193 4.154 4.340 0.011 0.000 0.212 536 L C -0.416 176.202 176.870 -0.421 0.000 1.073 536 L CA 1.676 56.140 54.840 -0.626 0.000 0.753 536 L CB -2.133 39.617 42.059 -0.514 0.000 0.890 536 L HN 0.158 nan 8.230 nan 0.000 0.432 537 P HA -0.187 nan 4.420 nan 0.000 0.216 537 P C 1.350 178.523 177.300 -0.212 0.000 1.150 537 P CA 1.436 64.429 63.100 -0.179 0.000 0.837 537 P CB 0.014 31.652 31.700 -0.103 0.000 0.786 538 K N -1.115 119.123 120.400 -0.270 0.000 2.097 538 K HA -0.106 4.221 4.320 0.011 0.000 0.205 538 K C 1.951 178.366 176.600 -0.308 0.000 1.050 538 K CA 0.805 56.950 56.287 -0.237 0.000 0.938 538 K CB -0.806 31.589 32.500 -0.176 0.000 0.718 538 K HN 0.038 nan 8.250 nan 0.000 0.442 539 L N 1.421 122.318 121.223 -0.543 0.000 2.012 539 L HA -0.179 4.168 4.340 0.011 0.000 0.210 539 L C 2.052 178.774 176.870 -0.247 0.000 1.073 539 L CA 1.451 56.017 54.840 -0.455 0.000 0.748 539 L CB -0.678 40.997 42.059 -0.640 0.000 0.891 539 L HN 0.094 nan 8.230 nan 0.000 0.431 540 L N -0.889 120.196 121.223 -0.230 0.000 2.012 540 L HA -0.225 4.122 4.340 0.011 0.000 0.210 540 L C 2.546 179.353 176.870 -0.105 0.000 1.073 540 L CA 2.223 56.979 54.840 -0.140 0.000 0.748 540 L CB -0.915 41.070 42.059 -0.124 0.000 0.891 540 L HN 0.344 nan 8.230 nan 0.000 0.431 541 S N -0.439 115.196 115.700 -0.109 0.000 2.382 541 S HA -0.150 4.326 4.470 0.011 0.000 0.228 541 S C 2.016 176.577 174.600 -0.065 0.000 1.027 541 S CA 1.132 59.286 58.200 -0.077 0.000 0.991 541 S CB -0.584 62.573 63.200 -0.072 0.000 0.823 541 S HN 0.659 nan 8.310 nan 0.000 0.469 542 A N 1.053 123.827 122.820 -0.076 0.000 1.898 542 A HA 0.316 4.643 4.320 0.011 0.000 0.214 542 A C 1.533 179.088 177.584 -0.048 0.000 1.183 542 A CA 1.478 53.482 52.037 -0.055 0.000 0.622 542 A CB -1.354 17.613 19.000 -0.054 0.000 0.824 542 A HN 0.535 nan 8.150 nan 0.000 0.444 543 T N 0.000 114.518 114.554 -0.061 0.000 3.816 543 T HA 0.000 4.357 4.350 0.011 0.000 0.228 543 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 543 T CB 0.000 68.836 68.868 -0.053 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658