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 2gyu_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 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 0.030 0.000 0.812 2 G N 2.946 111.757 108.800 0.019 0.000 3.211 2 G HA2 -0.151 3.813 3.960 0.008 0.000 0.202 2 G HA3 -0.151 3.813 3.960 0.008 0.000 0.202 2 G C 0.804 175.712 174.900 0.014 0.000 1.035 2 G CA 0.214 45.323 45.100 0.015 0.000 0.846 2 G HN 0.406 nan 8.290 nan 0.000 0.464 3 R N 0.805 121.314 120.500 0.014 0.000 2.335 3 R HA 0.419 4.764 4.340 0.008 0.000 0.210 3 R C 0.825 177.134 176.300 0.015 0.000 0.892 3 R CA 0.248 56.355 56.100 0.012 0.000 1.048 3 R CB 0.278 30.582 30.300 0.008 0.000 1.067 3 R HN 0.502 nan 8.270 nan 0.000 0.524 4 E N 0.528 120.739 120.200 0.019 0.000 2.391 4 E HA -0.021 4.334 4.350 0.008 0.000 0.255 4 E C -0.595 176.025 176.600 0.034 0.000 1.187 4 E CA -0.227 56.187 56.400 0.023 0.000 0.941 4 E CB 0.396 30.112 29.700 0.028 0.000 1.010 4 E HN -0.042 nan 8.360 nan 0.000 0.458 5 D N 1.690 122.116 120.400 0.044 0.000 2.363 5 D HA -0.001 4.643 4.640 0.008 0.000 0.263 5 D C -1.614 174.731 176.300 0.075 0.000 1.258 5 D CA -1.793 52.250 54.000 0.072 0.000 0.907 5 D CB 0.828 41.689 40.800 0.101 0.000 1.107 5 D HN 0.116 nan 8.370 nan 0.000 0.495 6 P HA -0.130 nan 4.420 nan 0.000 0.225 6 P C 0.605 177.933 177.300 0.046 0.000 1.148 6 P CA 0.896 64.022 63.100 0.044 0.000 0.779 6 P CB 0.326 32.040 31.700 0.024 0.000 0.780 7 Q N -0.734 119.095 119.800 0.048 0.000 2.403 7 Q HA 0.172 4.517 4.340 0.008 0.000 0.203 7 Q C 1.461 177.537 176.000 0.126 0.000 0.932 7 Q CA 0.290 56.097 55.803 0.007 0.000 0.945 7 Q CB 0.026 28.654 28.738 -0.183 0.000 1.045 7 Q HN 0.361 nan 8.270 nan 0.000 0.511 8 L N 0.273 121.600 121.223 0.173 0.000 2.906 8 L HA 0.272 4.616 4.340 0.008 0.000 0.255 8 L C -0.237 176.815 176.870 0.303 0.000 1.166 8 L CA -0.039 54.935 54.840 0.223 0.000 0.977 8 L CB 0.645 42.752 42.059 0.080 0.000 1.313 8 L HN 0.091 nan 8.230 nan 0.000 0.549 9 L N 0.748 122.102 121.223 0.219 0.000 2.287 9 L HA 0.562 4.907 4.340 0.008 0.000 0.287 9 L C -0.734 176.202 176.870 0.111 0.000 1.022 9 L CA -0.475 54.473 54.840 0.180 0.000 0.814 9 L CB 1.841 43.961 42.059 0.102 0.000 1.217 9 L HN -0.243 nan 8.230 nan 0.000 0.420 10 V N 3.307 123.269 119.914 0.080 0.000 2.841 10 V HA 0.494 4.619 4.120 0.008 0.000 0.310 10 V C -0.451 175.580 176.094 -0.105 0.000 1.090 10 V CA -0.745 61.457 62.300 -0.163 0.000 0.930 10 V CB 2.732 34.196 31.823 -0.598 0.000 1.014 10 V HN 0.731 nan 8.190 nan 0.000 0.425 11 R N 2.640 123.046 120.500 -0.156 0.000 2.460 11 R HA 0.823 5.168 4.340 0.008 0.000 0.303 11 R C -0.803 175.411 176.300 -0.142 0.000 0.968 11 R CA -0.321 55.725 56.100 -0.089 0.000 0.889 11 R CB 1.818 32.066 30.300 -0.087 0.000 1.123 11 R HN 0.703 nan 8.270 nan 0.000 0.455 12 V N 1.758 121.649 119.914 -0.038 0.000 3.204 12 V HA 0.506 4.631 4.120 0.008 0.000 0.316 12 V C 1.142 177.161 176.094 -0.125 0.000 1.160 12 V CA -0.991 61.275 62.300 -0.056 0.000 1.044 12 V CB 1.609 33.540 31.823 0.179 0.000 1.136 12 V HN 0.838 nan 8.190 nan 0.000 0.455 13 R N 1.483 121.891 120.500 -0.152 0.000 2.133 13 R HA -0.043 4.302 4.340 0.008 0.000 0.247 13 R C 1.797 177.958 176.300 -0.232 0.000 1.151 13 R CA 2.470 58.473 56.100 -0.162 0.000 0.971 13 R CB -1.237 28.985 30.300 -0.131 0.000 0.866 13 R HN 1.044 nan 8.270 nan 0.000 0.447 14 G N -2.141 106.465 108.800 -0.323 0.000 2.777 14 G HA2 0.391 4.356 3.960 0.008 0.000 0.211 14 G HA3 0.391 4.356 3.960 0.008 0.000 0.211 14 G C 0.361 174.313 174.900 -1.579 0.000 1.149 14 G CA 0.395 45.027 45.100 -0.779 0.000 0.785 14 G HN 0.739 nan 8.290 nan 0.000 0.536 15 G N -1.065 107.101 108.800 -1.057 0.000 2.339 15 G HA2 0.144 4.108 3.960 0.008 0.000 0.275 15 G HA3 0.144 4.108 3.960 0.008 0.000 0.275 15 G C -1.231 173.618 174.900 -0.084 0.000 1.323 15 G CA -0.951 43.694 45.100 -0.758 0.000 0.927 15 G HN 0.259 nan 8.290 nan 0.000 0.486 16 Q N -0.373 119.525 119.800 0.164 0.000 2.293 16 Q HA 0.651 4.996 4.340 0.008 0.000 0.251 16 Q C -0.353 175.938 176.000 0.486 0.000 0.930 16 Q CA 0.024 55.995 55.803 0.281 0.000 0.893 16 Q CB 1.255 30.104 28.738 0.186 0.000 1.215 16 Q HN 0.432 nan 8.270 nan 0.000 0.425 17 L N 1.856 123.293 121.223 0.357 0.000 2.354 17 L HA 0.614 4.959 4.340 0.008 0.000 0.269 17 L C -0.462 176.602 176.870 0.324 0.000 1.005 17 L CA -0.808 54.252 54.840 0.367 0.000 0.819 17 L CB 2.052 44.385 42.059 0.458 0.000 1.311 17 L HN 0.457 nan 8.230 nan 0.000 0.423 18 R N 0.813 121.464 120.500 0.252 0.000 2.360 18 R HA 0.622 4.966 4.340 0.008 0.000 0.318 18 R C -0.199 176.147 176.300 0.077 0.000 0.950 18 R CA -0.306 55.900 56.100 0.177 0.000 0.837 18 R CB 1.565 31.913 30.300 0.080 0.000 1.165 18 R HN 0.827 nan 8.270 nan 0.000 0.458 19 G N 3.342 112.085 108.800 -0.095 0.000 2.531 19 G HA2 0.448 4.413 3.960 0.008 0.000 0.281 19 G HA3 0.448 4.413 3.960 0.008 0.000 0.281 19 G C -0.931 173.705 174.900 -0.441 0.000 1.382 19 G CA -0.682 44.010 45.100 -0.680 0.000 1.045 19 G HN 0.586 nan 8.290 nan 0.000 0.533 20 I N -0.969 119.299 120.570 -0.504 0.000 2.647 20 I HA 0.484 4.658 4.170 0.008 0.000 0.295 20 I C -0.220 175.734 176.117 -0.272 0.000 1.078 20 I CA -1.074 60.042 61.300 -0.307 0.000 1.048 20 I CB 2.144 39.981 38.000 -0.270 0.000 1.239 20 I HN 0.380 nan 8.210 nan 0.000 0.421 21 R N 7.478 127.843 120.500 -0.225 0.000 2.242 21 R HA 0.473 4.818 4.340 0.008 0.000 0.334 21 R C -1.398 174.758 176.300 -0.239 0.000 1.071 21 R CA -0.326 55.596 56.100 -0.297 0.000 0.922 21 R CB 0.415 30.453 30.300 -0.436 0.000 1.023 21 R HN 0.602 nan 8.270 nan 0.000 0.458 22 L N 3.678 124.789 121.223 -0.187 0.000 2.334 22 L HA 0.400 4.744 4.340 0.008 0.000 0.275 22 L C 0.414 177.203 176.870 -0.136 0.000 1.036 22 L CA -0.838 53.923 54.840 -0.131 0.000 0.807 22 L CB 1.499 43.523 42.059 -0.059 0.000 1.231 22 L HN 0.343 nan 8.230 nan 0.000 0.438 23 K N 2.229 122.559 120.400 -0.117 0.000 2.285 23 K HA 0.532 4.856 4.320 0.008 0.000 0.286 23 K C -0.546 175.986 176.600 -0.113 0.000 1.072 23 K CA -0.161 56.063 56.287 -0.103 0.000 0.913 23 K CB 1.507 33.959 32.500 -0.079 0.000 1.067 23 K HN 0.710 nan 8.250 nan 0.000 0.479 24 A N 5.023 127.773 122.820 -0.116 0.000 2.281 24 A HA 0.515 4.840 4.320 0.008 0.000 0.329 24 A C -1.866 175.700 177.584 -0.031 0.000 1.122 24 A CA -1.505 50.444 52.037 -0.147 0.000 0.850 24 A CB 0.602 19.483 19.000 -0.198 0.000 1.207 24 A HN 0.377 nan 8.150 nan 0.000 0.495 25 P HA -0.082 nan 4.420 nan 0.000 0.218 25 P C 1.306 178.631 177.300 0.041 0.000 1.148 25 P CA 1.954 65.094 63.100 0.067 0.000 0.822 25 P CB 0.219 31.993 31.700 0.123 0.000 0.784 26 G N -2.168 106.657 108.800 0.042 0.000 2.838 26 G HA2 0.430 4.395 3.960 0.008 0.000 0.210 26 G HA3 0.430 4.395 3.960 0.008 0.000 0.210 26 G C 0.578 175.493 174.900 0.024 0.000 1.153 26 G CA 0.541 45.661 45.100 0.033 0.000 0.778 26 G HN 0.587 nan 8.290 nan 0.000 0.539 27 G N -0.654 108.153 108.800 0.011 0.000 2.341 27 G HA2 0.391 4.356 3.960 0.008 0.000 0.293 27 G HA3 0.391 4.356 3.960 0.008 0.000 0.293 27 G C -3.370 171.521 174.900 -0.016 0.000 1.298 27 G CA -0.660 44.444 45.100 0.007 0.000 0.868 27 G HN 0.027 nan 8.290 nan 0.000 0.540 28 P HA 0.507 nan 4.420 nan 0.000 0.274 28 P C 0.024 177.324 177.300 0.000 0.000 1.231 28 P CA -0.174 62.865 63.100 -0.101 0.000 0.790 28 P CB 1.628 33.154 31.700 -0.290 0.000 0.951 29 V N -1.507 118.395 119.914 -0.020 0.000 3.102 29 V HA 0.675 4.800 4.120 0.008 0.000 0.312 29 V C -0.388 175.779 176.094 0.121 0.000 1.135 29 V CA -0.927 61.441 62.300 0.115 0.000 1.022 29 V CB 1.786 33.683 31.823 0.124 0.000 1.056 29 V HN 0.433 nan 8.190 nan 0.000 0.436 30 S N 1.570 117.417 115.700 0.246 0.000 2.480 30 S HA 0.860 5.335 4.470 0.008 0.000 0.286 30 S C -0.018 174.612 174.600 0.050 0.000 1.180 30 S CA 0.012 58.323 58.200 0.184 0.000 1.075 30 S CB 1.169 64.610 63.200 0.401 0.000 0.996 30 S HN 1.539 nan 8.310 nan 0.000 0.487 31 A N 2.695 125.349 122.820 -0.276 0.000 2.371 31 A HA 0.825 5.150 4.320 0.008 0.000 0.311 31 A C -1.261 175.926 177.584 -0.663 0.000 1.068 31 A CA -0.619 51.142 52.037 -0.460 0.000 0.744 31 A CB 0.536 19.227 19.000 -0.516 0.000 1.239 31 A HN 0.694 nan 8.150 nan 0.000 0.435 32 F N 2.628 122.373 119.950 -0.343 0.000 2.532 32 F HA 0.451 4.982 4.527 0.008 0.000 0.365 32 F C -0.333 175.261 175.800 -0.343 0.000 1.112 32 F CA -0.235 57.647 58.000 -0.198 0.000 1.082 32 F CB 1.303 40.328 39.000 0.042 0.000 1.319 32 F HN 0.355 nan 8.300 nan 0.000 0.457 33 L N 1.985 123.032 121.223 -0.294 0.000 2.325 33 L HA 0.745 5.090 4.340 0.008 0.000 0.278 33 L C 0.913 177.656 176.870 -0.213 0.000 1.023 33 L CA -0.967 53.641 54.840 -0.387 0.000 0.811 33 L CB 1.709 43.318 42.059 -0.750 0.000 1.249 33 L HN 0.781 nan 8.230 nan 0.000 0.431 34 G N 2.950 111.686 108.800 -0.108 0.000 2.182 34 G HA2 -0.245 3.720 3.960 0.008 0.000 0.248 34 G HA3 -0.245 3.720 3.960 0.008 0.000 0.248 34 G C -0.116 174.788 174.900 0.007 0.000 1.042 34 G CA -0.401 44.636 45.100 -0.106 0.000 0.775 34 G HN 0.491 nan 8.290 nan 0.000 0.501 35 I N 2.133 122.735 120.570 0.053 0.000 2.436 35 I HA 0.230 4.405 4.170 0.008 0.000 0.289 35 I C -1.516 174.662 176.117 0.101 0.000 1.083 35 I CA -2.079 59.250 61.300 0.048 0.000 1.372 35 I CB 0.904 38.898 38.000 -0.009 0.000 1.408 35 I HN -0.044 nan 8.210 nan 0.000 0.516 36 P HA 0.034 nan 4.420 nan 0.000 0.276 36 P C -0.191 177.078 177.300 -0.052 0.000 1.235 36 P CA -0.006 62.986 63.100 -0.180 0.000 0.772 36 P CB 0.482 32.087 31.700 -0.159 0.000 0.871 37 F N 0.991 120.831 119.950 -0.185 0.000 2.706 37 F HA 0.733 5.265 4.527 0.008 0.000 0.313 37 F C -0.002 175.812 175.800 0.024 0.000 1.096 37 F CA -0.912 57.049 58.000 -0.066 0.000 1.219 37 F CB 0.108 38.966 39.000 -0.235 0.000 1.051 37 F HN 0.330 nan 8.300 nan 0.000 0.568 38 A N 0.033 122.612 122.820 -0.403 0.000 2.587 38 A HA 0.590 4.915 4.320 0.008 0.000 0.293 38 A C -0.840 176.605 177.584 -0.232 0.000 1.087 38 A CA -0.771 51.117 52.037 -0.248 0.000 0.692 38 A CB 0.993 19.776 19.000 -0.362 0.000 1.291 38 A HN 0.050 nan 8.150 nan 0.000 0.407 39 E N 1.272 121.410 120.200 -0.104 0.000 2.414 39 E HA 0.213 4.567 4.350 0.008 0.000 0.263 39 E C -2.295 174.217 176.600 -0.147 0.000 1.000 39 E CA -1.286 55.062 56.400 -0.087 0.000 0.914 39 E CB -0.015 29.668 29.700 -0.028 0.000 0.948 39 E HN 0.240 nan 8.360 nan 0.000 0.444 40 P HA -0.013 nan 4.420 nan 0.000 0.260 40 P C -2.259 174.977 177.300 -0.105 0.000 1.185 40 P CA -0.635 62.381 63.100 -0.140 0.000 0.763 40 P CB -0.074 31.579 31.700 -0.079 0.000 0.776 41 P HA 0.036 nan 4.420 nan 0.000 0.225 41 P C -0.520 176.721 177.300 -0.098 0.000 1.813 41 P CA 0.074 63.120 63.100 -0.091 0.000 1.013 41 P CB 0.001 31.650 31.700 -0.084 0.000 1.961 42 V N -1.983 117.881 119.914 -0.085 0.000 3.001 42 V HA 0.914 5.039 4.120 0.008 0.000 0.314 42 V C 0.758 176.809 176.094 -0.071 0.000 1.099 42 V CA 0.064 62.311 62.300 -0.087 0.000 0.989 42 V CB 1.159 32.940 31.823 -0.069 0.000 1.040 42 V HN 0.588 nan 8.190 nan 0.000 0.434 43 G N 2.906 111.662 108.800 -0.072 0.000 2.596 43 G HA2 -0.326 3.639 3.960 0.008 0.000 0.304 43 G HA3 -0.326 3.639 3.960 0.008 0.000 0.304 43 G C 1.243 176.113 174.900 -0.050 0.000 1.189 43 G CA 1.539 46.610 45.100 -0.049 0.000 0.986 43 G HN 2.437 nan 8.290 nan 0.000 0.548 44 S N 0.550 116.235 115.700 -0.024 0.000 2.507 44 S HA 0.047 4.521 4.470 0.008 0.000 0.235 44 S C 1.887 176.480 174.600 -0.012 0.000 0.988 44 S CA 1.560 59.755 58.200 -0.008 0.000 0.944 44 S CB -0.080 63.124 63.200 0.007 0.000 0.762 44 S HN 0.691 nan 8.310 nan 0.000 0.526 45 R N 0.717 121.196 120.500 -0.035 0.000 2.317 45 R HA 0.234 4.579 4.340 0.008 0.000 0.208 45 R C 0.906 177.164 176.300 -0.069 0.000 0.914 45 R CA -0.211 55.870 56.100 -0.032 0.000 1.060 45 R CB 0.001 30.282 30.300 -0.032 0.000 1.015 45 R HN 0.403 nan 8.270 nan 0.000 0.498 46 R N 0.849 121.257 120.500 -0.152 0.000 2.570 46 R HA -0.098 4.246 4.340 0.008 0.000 0.277 46 R C -0.326 175.767 176.300 -0.345 0.000 1.039 46 R CA 0.509 56.390 56.100 -0.364 0.000 1.065 46 R CB 0.179 30.118 30.300 -0.603 0.000 0.964 46 R HN 0.082 nan 8.270 nan 0.000 0.428 47 F N -0.853 119.119 119.950 0.037 0.000 2.748 47 F HA -0.312 4.220 4.527 0.008 0.000 0.370 47 F C 0.112 175.912 175.800 0.001 0.000 0.620 47 F CA 0.678 58.678 58.000 0.001 0.000 1.233 47 F CB -1.744 37.247 39.000 -0.016 0.000 1.708 47 F HN 0.472 nan 8.300 nan 0.000 0.298 48 M N 1.164 120.839 119.600 0.126 0.000 2.444 48 M HA 0.419 4.903 4.480 0.008 0.000 0.319 48 M C -1.996 174.342 176.300 0.064 0.000 1.183 48 M CA -1.503 53.851 55.300 0.090 0.000 1.032 48 M CB 0.752 33.390 32.600 0.064 0.000 1.569 48 M HN -0.366 nan 8.290 nan 0.000 0.468 49 P HA 0.088 nan 4.420 nan 0.000 0.268 49 P C -2.465 174.872 177.300 0.062 0.000 1.208 49 P CA -0.560 62.581 63.100 0.070 0.000 0.777 49 P CB -0.500 31.249 31.700 0.082 0.000 0.875 50 P HA 0.192 nan 4.420 nan 0.000 0.275 50 P C -0.654 176.690 177.300 0.074 0.000 1.228 50 P CA 0.038 63.175 63.100 0.062 0.000 0.786 50 P CB 0.931 32.693 31.700 0.103 0.000 0.927 51 E N 2.971 123.201 120.200 0.050 0.000 2.191 51 E HA 0.371 4.726 4.350 0.008 0.000 0.274 51 E C -2.239 174.406 176.600 0.075 0.000 0.948 51 E CA -2.332 54.105 56.400 0.061 0.000 0.802 51 E CB 0.643 30.369 29.700 0.042 0.000 1.137 51 E HN 0.351 nan 8.360 nan 0.000 0.397 52 P HA -0.091 nan 4.420 nan 0.000 0.266 52 P C -0.754 176.617 177.300 0.118 0.000 1.193 52 P CA -0.080 63.106 63.100 0.143 0.000 0.770 52 P CB 0.414 32.199 31.700 0.142 0.000 0.836 53 K N 3.590 124.082 120.400 0.153 0.000 2.447 53 K HA 0.008 4.333 4.320 0.008 0.000 0.281 53 K C 0.031 176.732 176.600 0.169 0.000 1.031 53 K CA 0.576 56.957 56.287 0.157 0.000 1.019 53 K CB 0.053 32.701 32.500 0.246 0.000 0.918 53 K HN 0.274 nan 8.250 nan 0.000 0.476 54 R N 5.367 125.950 120.500 0.139 0.000 2.490 54 R HA 0.189 4.534 4.340 0.008 0.000 0.280 54 R C -2.010 174.374 176.300 0.139 0.000 1.077 54 R CA -1.763 54.402 56.100 0.108 0.000 1.065 54 R CB 0.227 30.577 30.300 0.083 0.000 1.003 54 R HN 0.577 nan 8.270 nan 0.000 0.470 55 P HA -0.099 nan 4.420 nan 0.000 0.266 55 P C -1.031 176.283 177.300 0.024 0.000 1.193 55 P CA 0.162 63.179 63.100 -0.138 0.000 0.770 55 P CB 0.293 31.875 31.700 -0.198 0.000 0.836 56 W N 1.392 122.728 121.300 0.060 0.000 2.578 56 W HA 0.667 5.332 4.660 0.008 0.000 0.353 56 W C -0.458 176.088 176.519 0.044 0.000 1.088 56 W CA -0.955 56.421 57.345 0.052 0.000 1.235 56 W CB 0.027 29.525 29.460 0.065 0.000 1.362 56 W HN 0.364 nan 8.180 nan 0.000 0.592 57 S N 1.596 117.457 115.700 0.269 0.000 2.617 57 S HA 0.843 5.317 4.470 0.008 0.000 0.283 57 S C 0.377 175.133 174.600 0.261 0.000 1.189 57 S CA 0.038 58.339 58.200 0.168 0.000 1.036 57 S CB 0.920 64.181 63.200 0.103 0.000 1.014 57 S HN 2.126 nan 8.310 nan 0.000 0.522 58 G N 0.287 109.199 108.800 0.187 0.000 2.681 58 G HA2 -0.115 3.850 3.960 0.008 0.000 0.220 58 G HA3 -0.115 3.850 3.960 0.008 0.000 0.220 58 G C -0.793 174.267 174.900 0.267 0.000 1.353 58 G CA -0.445 44.764 45.100 0.181 0.000 0.872 58 G HN 1.647 nan 8.290 nan 0.000 0.557 59 V N 0.861 120.893 119.914 0.196 0.000 2.364 59 V HA 0.525 4.650 4.120 0.008 0.000 0.272 59 V C 0.919 177.101 176.094 0.146 0.000 1.036 59 V CA -0.233 62.190 62.300 0.205 0.000 0.880 59 V CB 1.132 33.034 31.823 0.132 0.000 0.991 59 V HN 0.830 nan 8.190 nan 0.000 0.460 60 L N 4.640 125.950 121.223 0.145 0.000 2.360 60 L HA 0.323 4.668 4.340 0.008 0.000 0.276 60 L C 0.617 177.460 176.870 -0.045 0.000 1.121 60 L CA 0.061 54.828 54.840 -0.123 0.000 0.845 60 L CB 0.632 42.334 42.059 -0.595 0.000 1.143 60 L HN 0.689 nan 8.230 nan 0.000 0.452 61 D N 4.799 125.152 120.400 -0.078 0.000 2.358 61 D HA 0.124 4.769 4.640 0.008 0.000 0.258 61 D C -0.319 175.924 176.300 -0.096 0.000 1.223 61 D CA 0.112 54.072 54.000 -0.067 0.000 0.886 61 D CB 1.400 42.152 40.800 -0.079 0.000 1.120 61 D HN 0.694 nan 8.370 nan 0.000 0.482 62 A N 3.166 125.950 122.820 -0.059 0.000 3.041 62 A HA 0.186 4.511 4.320 0.008 0.000 0.307 62 A C 1.009 178.481 177.584 -0.186 0.000 1.116 62 A CA -0.441 51.549 52.037 -0.078 0.000 1.001 62 A CB -0.096 18.965 19.000 0.100 0.000 1.112 62 A HN 0.565 nan 8.150 nan 0.000 0.556 63 T N -3.222 111.207 114.554 -0.208 0.000 3.023 63 T HA 0.261 4.616 4.350 0.008 0.000 0.253 63 T C 0.667 175.188 174.700 -0.297 0.000 1.038 63 T CA 0.754 62.702 62.100 -0.253 0.000 0.962 63 T CB -0.213 68.542 68.868 -0.188 0.000 1.018 63 T HN 0.691 nan 8.240 nan 0.000 0.521 64 T N -0.511 113.863 114.554 -0.300 0.000 2.903 64 T HA 0.691 5.046 4.350 0.008 0.000 0.299 64 T C -0.797 173.715 174.700 -0.313 0.000 1.093 64 T CA -0.907 61.013 62.100 -0.299 0.000 1.002 64 T CB 1.066 69.831 68.868 -0.171 0.000 1.127 64 T HN -0.003 nan 8.240 nan 0.000 0.488 65 F N 2.014 121.883 119.950 -0.136 0.000 2.553 65 F HA 0.321 4.853 4.527 0.008 0.000 0.356 65 F C 1.499 177.182 175.800 -0.195 0.000 1.142 65 F CA -0.099 57.820 58.000 -0.135 0.000 1.322 65 F CB 0.492 39.442 39.000 -0.083 0.000 1.126 65 F HN 0.496 nan 8.300 nan 0.000 0.599 66 Q N 1.186 120.969 119.800 -0.028 0.000 2.173 66 Q HA 0.215 4.560 4.340 0.008 0.000 0.186 66 Q C -0.187 175.720 176.000 -0.156 0.000 1.018 66 Q CA -0.733 54.897 55.803 -0.289 0.000 1.064 66 Q CB 0.510 28.744 28.738 -0.841 0.000 1.130 66 Q HN 0.514 nan 8.270 nan 0.000 0.553 67 N N -0.173 118.409 118.700 -0.197 0.000 2.395 67 N HA 0.017 4.762 4.740 0.008 0.000 0.246 67 N C -0.562 174.917 175.510 -0.052 0.000 1.246 67 N CA 0.135 53.125 53.050 -0.100 0.000 0.879 67 N CB 0.399 38.848 38.487 -0.064 0.000 1.098 67 N HN 0.165 nan 8.380 nan 0.000 0.444 68 V N 1.666 121.520 119.914 -0.101 0.000 2.607 68 V HA 0.093 4.217 4.120 0.008 0.000 0.289 68 V C 0.602 176.629 176.094 -0.112 0.000 1.053 68 V CA -0.836 61.393 62.300 -0.118 0.000 0.996 68 V CB 1.079 32.796 31.823 -0.176 0.000 0.995 68 V HN 0.705 nan 8.190 nan 0.000 0.476 69 c N 4.269 122.825 118.600 -0.074 0.000 2.642 69 c HA 0.101 4.676 4.570 0.008 0.000 0.420 69 c C 0.547 174.587 174.090 -0.083 0.000 1.349 69 c CA -0.588 55.706 56.329 -0.059 0.000 1.821 69 c CB -1.159 41.350 42.510 -0.002 0.000 2.637 69 c HN 0.754 nan 8.230 nan 0.000 0.605 70 Y N 3.843 123.997 120.300 -0.243 0.000 2.805 70 Y HA 0.146 4.700 4.550 0.008 0.000 0.331 70 Y C 0.904 176.814 175.900 0.017 0.000 1.241 70 Y CA 1.029 58.983 58.100 -0.242 0.000 1.546 70 Y CB 0.141 38.228 38.460 -0.621 0.000 1.248 70 Y HN 0.738 nan 8.280 nan 0.000 0.559 71 Q N 4.126 124.052 119.800 0.210 0.000 2.522 71 Q HA 0.220 4.564 4.340 0.008 0.000 0.285 71 Q C -1.842 174.336 176.000 0.297 0.000 0.982 71 Q CA -1.210 54.778 55.803 0.308 0.000 0.805 71 Q CB 1.185 30.019 28.738 0.161 0.000 1.457 71 Q HN 0.652 nan 8.270 nan 0.000 0.394 72 Y N 1.210 121.670 120.300 0.266 0.000 2.610 72 Y HA 0.320 4.874 4.550 0.008 0.000 0.332 72 Y C -0.932 175.070 175.900 0.170 0.000 1.201 72 Y CA 0.349 58.577 58.100 0.212 0.000 1.465 72 Y CB 0.900 39.466 38.460 0.177 0.000 1.283 72 Y HN 0.448 nan 8.280 nan 0.000 0.563 73 V N 6.945 126.555 119.914 -0.507 0.000 2.357 73 V HA 0.111 4.236 4.120 0.008 0.000 0.284 73 V C -0.546 175.240 176.094 -0.514 0.000 1.018 73 V CA -1.133 60.964 62.300 -0.338 0.000 0.841 73 V CB 1.237 32.936 31.823 -0.208 0.000 0.991 73 V HN 0.738 nan 8.190 nan 0.000 0.437 74 D N 3.844 124.185 120.400 -0.099 0.000 2.434 74 D HA 0.102 4.747 4.640 0.008 0.000 0.252 74 D C 0.859 177.238 176.300 0.131 0.000 1.185 74 D CA 0.423 54.517 54.000 0.158 0.000 0.886 74 D CB 1.522 42.557 40.800 0.392 0.000 1.148 74 D HN 0.737 nan 8.370 nan 0.000 0.483 75 T N 0.100 114.737 114.554 0.138 0.000 3.266 75 T HA 0.081 4.436 4.350 0.008 0.000 0.278 75 T C 1.362 176.115 174.700 0.088 0.000 1.010 75 T CA -0.497 61.661 62.100 0.096 0.000 0.909 75 T CB 0.172 69.069 68.868 0.048 0.000 1.122 75 T HN 0.101 nan 8.240 nan 0.000 0.536 76 L N 0.614 121.892 121.223 0.091 0.000 2.023 76 L HA 0.286 4.631 4.340 0.008 0.000 0.205 76 L C -0.202 176.421 176.870 -0.411 0.000 1.073 76 L CA 1.454 56.169 54.840 -0.210 0.000 0.745 76 L CB -0.238 41.559 42.059 -0.437 0.000 0.900 76 L HN 0.377 nan 8.230 nan 0.000 0.435 77 Y N 0.436 120.786 120.300 0.084 0.000 2.842 77 Y HA 0.426 4.981 4.550 0.008 0.000 0.334 77 Y C -2.175 173.793 175.900 0.113 0.000 1.019 77 Y CA -3.623 54.506 58.100 0.048 0.000 1.258 77 Y CB -0.275 38.164 38.460 -0.034 0.000 1.106 77 Y HN 0.098 nan 8.280 nan 0.000 0.545 78 P HA 0.141 nan 4.420 nan 0.000 0.266 78 P C 0.983 178.358 177.300 0.124 0.000 1.215 78 P CA 1.040 64.214 63.100 0.123 0.000 0.763 78 P CB 0.769 32.512 31.700 0.071 0.000 0.806 79 G N 2.707 111.569 108.800 0.103 0.000 2.176 79 G HA2 -0.287 3.677 3.960 0.008 0.000 0.253 79 G HA3 -0.287 3.677 3.960 0.008 0.000 0.253 79 G C -0.067 174.883 174.900 0.083 0.000 0.979 79 G CA -0.468 44.669 45.100 0.061 0.000 0.641 79 G HN 0.529 nan 8.290 nan 0.000 0.530 80 F N 1.994 121.921 119.950 -0.038 0.000 2.472 80 F HA 0.602 5.134 4.527 0.007 0.000 0.364 80 F C 1.367 177.081 175.800 -0.142 0.000 1.090 80 F CA -0.568 57.361 58.000 -0.119 0.000 1.188 80 F CB 1.345 40.258 39.000 -0.144 0.000 1.105 80 F HN 0.113 nan 8.300 nan 0.000 0.536 81 E N 4.064 123.829 120.200 -0.726 0.000 2.118 81 E HA -0.099 4.255 4.350 0.008 0.000 0.195 81 E C 2.215 178.330 176.600 -0.810 0.000 0.992 81 E CA 1.900 57.907 56.400 -0.656 0.000 0.804 81 E CB -0.570 28.815 29.700 -0.525 0.000 0.741 81 E HN 0.888 nan 8.360 nan 0.000 0.458 82 G N -0.840 106.981 108.800 -1.632 0.000 2.450 82 G HA2 -0.295 3.670 3.960 0.008 0.000 0.220 82 G HA3 -0.295 3.670 3.960 0.008 0.000 0.220 82 G C 1.699 176.612 174.900 0.023 0.000 1.130 82 G CA 1.707 46.170 45.100 -1.062 0.000 0.760 82 G HN 0.501 nan 8.290 nan 0.000 0.557 83 T N -2.161 112.413 114.554 0.033 0.000 3.033 83 T HA 0.131 4.486 4.350 0.008 0.000 0.248 83 T C 1.908 176.779 174.700 0.285 0.000 1.040 83 T CA 0.826 63.234 62.100 0.514 0.000 1.133 83 T CB 0.056 69.296 68.868 0.621 0.000 0.895 83 T HN 0.136 nan 8.240 nan 0.000 0.465 84 E N 2.158 122.377 120.200 0.031 0.000 2.204 84 E HA -0.054 4.301 4.350 0.008 0.000 0.194 84 E C 2.211 178.713 176.600 -0.164 0.000 0.989 84 E CA 1.178 57.551 56.400 -0.045 0.000 0.824 84 E CB -0.470 29.175 29.700 -0.091 0.000 0.756 84 E HN 0.809 nan 8.360 nan 0.000 0.477 85 M N -2.249 117.155 119.600 -0.327 0.000 2.446 85 M HA -0.080 4.405 4.480 0.008 0.000 0.263 85 M C 1.208 177.091 176.300 -0.696 0.000 1.066 85 M CA 1.435 56.380 55.300 -0.593 0.000 1.087 85 M CB -0.473 31.640 32.600 -0.813 0.000 1.406 85 M HN 0.004 nan 8.290 nan 0.000 0.459 86 W N 0.637 121.855 121.300 -0.136 0.000 3.107 86 W HA 0.296 4.960 4.660 0.007 0.000 0.293 86 W C 0.335 176.760 176.519 -0.157 0.000 1.239 86 W CA -0.987 56.262 57.345 -0.161 0.000 1.653 86 W CB -0.086 29.327 29.460 -0.079 0.000 1.068 86 W HN 0.086 nan 8.180 nan 0.000 0.615 87 N N 1.736 120.461 118.700 0.042 0.000 2.482 87 N HA 0.129 4.874 4.740 0.008 0.000 0.260 87 N C -2.401 173.045 175.510 -0.107 0.000 1.236 87 N CA -1.430 51.609 53.050 -0.019 0.000 0.938 87 N CB -0.200 38.276 38.487 -0.017 0.000 1.128 87 N HN -0.328 nan 8.380 nan 0.000 0.448 88 P HA 0.025 nan 4.420 nan 0.000 0.264 88 P C 0.214 177.417 177.300 -0.163 0.000 1.183 88 P CA 0.143 63.144 63.100 -0.165 0.000 0.763 88 P CB 0.315 31.914 31.700 -0.168 0.000 0.807 89 N N 2.013 120.602 118.700 -0.186 0.000 2.200 89 N HA 0.093 4.838 4.740 0.008 0.000 0.224 89 N C 0.073 175.499 175.510 -0.140 0.000 1.179 89 N CA -0.069 52.881 53.050 -0.167 0.000 0.877 89 N CB 0.488 38.855 38.487 -0.199 0.000 1.072 89 N HN 0.160 nan 8.380 nan 0.000 0.519 90 R N 0.134 120.548 120.500 -0.143 0.000 2.817 90 R HA 0.269 4.613 4.340 0.008 0.000 0.268 90 R C -0.687 175.533 176.300 -0.133 0.000 1.027 90 R CA -0.682 55.349 56.100 -0.116 0.000 0.928 90 R CB 1.054 31.295 30.300 -0.098 0.000 1.228 90 R HN 0.282 nan 8.270 nan 0.000 0.469 91 E N 1.490 121.618 120.200 -0.121 0.000 2.452 91 E HA -0.015 4.340 4.350 0.008 0.000 0.261 91 E C -0.518 175.974 176.600 -0.180 0.000 0.987 91 E CA 0.028 56.347 56.400 -0.135 0.000 0.926 91 E CB 0.504 30.141 29.700 -0.105 0.000 0.934 91 E HN 0.272 nan 8.360 nan 0.000 0.452 92 L N 3.922 124.986 121.223 -0.264 0.000 2.360 92 L HA 0.215 4.559 4.340 0.008 0.000 0.276 92 L C 0.288 176.958 176.870 -0.333 0.000 1.121 92 L CA -0.003 54.580 54.840 -0.429 0.000 0.845 92 L CB 1.024 42.588 42.059 -0.826 0.000 1.143 92 L HN 0.437 nan 8.230 nan 0.000 0.452 93 S N 1.512 117.103 115.700 -0.182 0.000 2.550 93 S HA 0.249 4.724 4.470 0.008 0.000 0.270 93 S C 0.368 174.964 174.600 -0.006 0.000 1.145 93 S CA -0.689 57.514 58.200 0.004 0.000 0.852 93 S CB 1.720 64.913 63.200 -0.013 0.000 1.119 93 S HN 0.729 nan 8.310 nan 0.000 0.465 94 E N 0.803 120.983 120.200 -0.032 0.000 2.274 94 E HA -0.065 4.290 4.350 0.008 0.000 0.194 94 E C -0.337 176.206 176.600 -0.096 0.000 0.996 94 E CA 0.547 56.846 56.400 -0.169 0.000 0.840 94 E CB 0.054 29.608 29.700 -0.244 0.000 0.772 94 E HN 0.566 nan 8.360 nan 0.000 0.491 95 D N 0.409 120.787 120.400 -0.036 0.000 2.435 95 D HA -0.010 4.634 4.640 0.008 0.000 0.230 95 D C 0.097 176.473 176.300 0.127 0.000 1.215 95 D CA -0.250 53.758 54.000 0.012 0.000 0.947 95 D CB 0.049 40.876 40.800 0.045 0.000 1.048 95 D HN 0.151 nan 8.370 nan 0.000 0.512 96 c N 2.645 121.279 118.600 0.056 0.000 4.095 96 c HA 0.351 4.926 4.570 0.008 0.000 0.327 96 c C 0.473 174.599 174.090 0.061 0.000 1.811 96 c CA -0.653 55.773 56.329 0.161 0.000 1.785 96 c CB -1.182 41.354 42.510 0.044 0.000 3.120 96 c HN 0.441 nan 8.230 nan 0.000 0.621 97 L N 2.620 123.603 121.223 -0.401 0.000 2.387 97 L HA 0.444 4.789 4.340 0.008 0.000 0.267 97 L C -0.991 175.179 176.870 -1.168 0.000 1.197 97 L CA 0.451 54.851 54.840 -0.734 0.000 1.070 97 L CB -0.552 40.976 42.059 -0.886 0.000 1.349 97 L HN 0.372 nan 8.230 nan 0.000 0.422 98 Y N 2.116 122.302 120.300 -0.190 0.000 2.553 98 Y HA 0.639 5.193 4.550 0.008 0.000 0.347 98 Y C -0.152 175.898 175.900 0.250 0.000 1.019 98 Y CA -1.211 56.874 58.100 -0.025 0.000 1.032 98 Y CB 2.065 40.498 38.460 -0.045 0.000 1.284 98 Y HN 0.219 nan 8.280 nan 0.000 0.466 99 L N -0.187 121.214 121.223 0.297 0.000 2.303 99 L HA 0.794 5.139 4.340 0.008 0.000 0.256 99 L C -1.347 175.521 176.870 -0.002 0.000 1.034 99 L CA -1.147 53.770 54.840 0.127 0.000 0.832 99 L CB 1.853 43.838 42.059 -0.124 0.000 1.403 99 L HN 0.483 nan 8.230 nan 0.000 0.419 100 N N 0.031 118.724 118.700 -0.012 0.000 2.249 100 N HA 0.711 5.456 4.740 0.008 0.000 0.296 100 N C -1.576 173.806 175.510 -0.212 0.000 1.051 100 N CA -0.378 52.566 53.050 -0.177 0.000 0.815 100 N CB 2.886 41.281 38.487 -0.153 0.000 1.487 100 N HN 0.516 nan 8.380 nan 0.000 0.475 101 V N 1.601 121.307 119.914 -0.348 0.000 2.531 101 V HA 0.497 4.622 4.120 0.008 0.000 0.301 101 V C -0.744 175.250 176.094 -0.166 0.000 1.034 101 V CA -0.773 61.421 62.300 -0.177 0.000 0.865 101 V CB 2.151 33.728 31.823 -0.410 0.000 0.995 101 V HN 0.538 nan 8.190 nan 0.000 0.424 102 W N 2.748 124.125 121.300 0.129 0.000 2.666 102 W HA 0.711 5.376 4.660 0.009 0.000 0.334 102 W C 0.117 176.729 176.519 0.156 0.000 1.051 102 W CA -0.480 56.951 57.345 0.143 0.000 1.224 102 W CB 2.487 32.013 29.460 0.110 0.000 1.405 102 W HN 0.655 nan 8.180 nan 0.000 0.513 103 T N -0.178 114.620 114.554 0.405 0.000 2.864 103 T HA 0.494 4.848 4.350 0.008 0.000 0.299 103 T C -2.868 172.000 174.700 0.280 0.000 1.166 103 T CA -2.316 59.975 62.100 0.318 0.000 1.007 103 T CB 2.128 71.199 68.868 0.339 0.000 1.219 103 T HN -0.094 nan 8.240 nan 0.000 0.506 104 P HA 0.156 nan 4.420 nan 0.000 0.269 104 P C -1.543 175.903 177.300 0.243 0.000 1.205 104 P CA 0.006 63.221 63.100 0.190 0.000 0.780 104 P CB 0.047 31.828 31.700 0.134 0.000 0.858 105 Y N 2.439 122.793 120.300 0.090 0.000 2.338 105 Y HA 0.429 4.984 4.550 0.008 0.000 0.333 105 Y C -2.229 173.705 175.900 0.058 0.000 0.968 105 Y CA -2.473 55.675 58.100 0.080 0.000 1.123 105 Y CB 1.107 39.601 38.460 0.057 0.000 1.165 105 Y HN 0.331 nan 8.280 nan 0.000 0.452 106 P HA 0.204 nan 4.420 nan 0.000 0.273 106 P C -0.779 176.468 177.300 -0.088 0.000 1.250 106 P CA -0.302 62.548 63.100 -0.417 0.000 0.793 106 P CB 0.980 32.478 31.700 -0.337 0.000 1.011 107 R N 0.554 121.035 120.500 -0.032 0.000 2.756 107 R HA 0.140 4.485 4.340 0.008 0.000 0.264 107 R C -1.830 174.499 176.300 0.049 0.000 1.026 107 R CA -0.969 55.178 56.100 0.078 0.000 1.121 107 R CB -1.007 29.359 30.300 0.110 0.000 0.999 107 R HN 0.425 nan 8.270 nan 0.000 0.449 108 P HA -0.060 nan 4.420 nan 0.000 0.266 108 P C -0.245 177.072 177.300 0.029 0.000 1.195 108 P CA 0.333 63.464 63.100 0.053 0.000 0.768 108 P CB 0.750 32.491 31.700 0.068 0.000 0.838 109 A N 2.362 125.192 122.820 0.016 0.000 1.968 109 A HA 0.041 4.365 4.320 0.008 0.000 0.217 109 A C 0.946 178.532 177.584 0.004 0.000 1.169 109 A CA 1.506 53.545 52.037 0.004 0.000 0.638 109 A CB -0.572 18.429 19.000 0.001 0.000 0.812 109 A HN 0.630 nan 8.150 nan 0.000 0.446 110 S N -1.643 114.062 115.700 0.010 0.000 2.599 110 S HA 0.646 5.120 4.470 0.008 0.000 0.287 110 S C -3.341 171.267 174.600 0.012 0.000 1.105 110 S CA -1.874 56.329 58.200 0.005 0.000 0.899 110 S CB 1.335 64.535 63.200 0.001 0.000 1.100 110 S HN -0.048 nan 8.310 nan 0.000 0.482 111 P HA 0.214 nan 4.420 nan 0.000 0.261 111 P C -0.729 176.579 177.300 0.014 0.000 1.183 111 P CA 0.333 63.439 63.100 0.011 0.000 0.761 111 P CB 0.090 31.788 31.700 -0.003 0.000 0.785 112 T N 5.767 120.341 114.554 0.033 0.000 2.797 112 T HA 0.392 4.747 4.350 0.008 0.000 0.279 112 T C -2.465 172.257 174.700 0.036 0.000 0.991 112 T CA -1.878 60.244 62.100 0.036 0.000 0.979 112 T CB 0.912 69.816 68.868 0.059 0.000 0.943 112 T HN 0.132 nan 8.240 nan 0.000 0.444 113 P HA 0.071 nan 4.420 nan 0.000 0.261 113 P C -0.801 176.527 177.300 0.048 0.000 1.173 113 P CA -0.068 63.038 63.100 0.010 0.000 0.760 113 P CB 0.322 32.011 31.700 -0.018 0.000 0.783 114 V N 5.468 125.426 119.914 0.073 0.000 2.472 114 V HA 0.312 4.437 4.120 0.008 0.000 0.290 114 V C 0.394 176.564 176.094 0.126 0.000 1.037 114 V CA -0.498 61.873 62.300 0.119 0.000 0.908 114 V CB 1.263 33.175 31.823 0.148 0.000 0.985 114 V HN 0.347 nan 8.190 nan 0.000 0.454 115 L N 5.742 127.052 121.223 0.145 0.000 2.296 115 L HA 0.586 4.931 4.340 0.008 0.000 0.286 115 L C -0.597 176.504 176.870 0.386 0.000 1.023 115 L CA -0.267 54.676 54.840 0.173 0.000 0.812 115 L CB 1.559 43.593 42.059 -0.041 0.000 1.223 115 L HN 0.494 nan 8.230 nan 0.000 0.421 116 I N 3.006 123.841 120.570 0.442 0.000 2.362 116 I HA 0.209 4.384 4.170 0.008 0.000 0.289 116 I C -0.585 175.850 176.117 0.530 0.000 0.994 116 I CA -0.410 61.141 61.300 0.419 0.000 1.158 116 I CB 1.370 39.493 38.000 0.204 0.000 1.315 116 I HN 0.638 nan 8.210 nan 0.000 0.451 117 W N 8.548 129.982 121.300 0.224 0.000 2.351 117 W HA 0.559 5.223 4.660 0.007 0.000 0.311 117 W C -1.472 174.967 176.519 -0.134 0.000 1.168 117 W CA -0.642 56.598 57.345 -0.175 0.000 1.200 117 W CB 1.156 30.519 29.460 -0.161 0.000 1.221 117 W HN 0.358 nan 8.180 nan 0.000 0.519 118 I N 8.865 128.861 120.570 -0.957 0.000 2.355 118 I HA 0.101 4.275 4.170 0.008 0.000 0.288 118 I C -0.138 175.154 176.117 -1.375 0.000 0.999 118 I CA -1.128 59.633 61.300 -0.898 0.000 1.163 118 I CB 0.679 38.325 38.000 -0.590 0.000 1.316 118 I HN 0.306 nan 8.210 nan 0.000 0.454 119 Y N 4.554 124.341 120.300 -0.855 0.000 2.426 119 Y HA 0.676 5.231 4.550 0.008 0.000 0.344 119 Y C 0.797 176.483 175.900 -0.356 0.000 1.256 119 Y CA -0.731 56.984 58.100 -0.641 0.000 1.451 119 Y CB -0.041 38.254 38.460 -0.275 0.000 1.342 119 Y HN 0.544 nan 8.280 nan 0.000 0.600 120 G N -0.975 107.792 108.800 -0.056 0.000 2.606 120 G HA2 0.485 4.450 3.960 0.008 0.000 0.262 120 G HA3 0.485 4.450 3.960 0.008 0.000 0.262 120 G C 0.275 175.077 174.900 -0.165 0.000 1.394 120 G CA -0.947 44.041 45.100 -0.186 0.000 1.044 120 G HN 1.742 nan 8.290 nan 0.000 0.553 121 G N -2.768 105.771 108.800 -0.435 0.000 2.188 121 G HA2 0.396 4.361 3.960 0.008 0.000 0.112 121 G HA3 0.396 4.361 3.960 0.008 0.000 0.112 121 G C 1.078 175.404 174.900 -0.956 0.000 1.048 121 G CA 0.704 45.425 45.100 -0.631 0.000 0.720 121 G HN 2.380 nan 8.290 nan 0.000 0.487 122 G N -0.651 107.551 108.800 -0.997 0.000 2.168 122 G HA2 -0.126 3.839 3.960 0.008 0.000 0.257 122 G HA3 -0.126 3.839 3.960 0.008 0.000 0.257 122 G C 0.915 175.499 174.900 -0.528 0.000 0.997 122 G CA 0.799 45.024 45.100 -1.459 0.000 0.708 122 G HN 1.831 nan 8.290 nan 0.000 0.520 123 F N -3.131 116.662 119.950 -0.263 0.000 2.935 123 F HA -0.325 4.207 4.527 0.008 0.000 0.317 123 F C 1.449 177.376 175.800 0.211 0.000 0.699 123 F CA 2.226 60.231 58.000 0.009 0.000 1.127 123 F CB -2.083 36.759 39.000 -0.264 0.000 1.491 123 F HN 0.924 nan 8.300 nan 0.000 0.337 124 Y N -1.083 119.301 120.300 0.140 0.000 2.500 124 Y HA 0.642 5.196 4.550 0.008 0.000 0.246 124 Y C 0.578 176.556 175.900 0.131 0.000 1.146 124 Y CA 0.239 58.448 58.100 0.181 0.000 1.230 124 Y CB 0.049 38.565 38.460 0.093 0.000 1.214 124 Y HN 0.090 nan 8.280 nan 0.000 0.526 125 S N -0.720 114.730 115.700 -0.416 0.000 2.643 125 S HA 0.875 5.350 4.470 0.008 0.000 0.270 125 S C -0.211 174.232 174.600 -0.262 0.000 1.166 125 S CA -0.467 57.523 58.200 -0.350 0.000 0.815 125 S CB 1.468 64.318 63.200 -0.584 0.000 1.139 125 S HN 1.395 nan 8.310 nan 0.000 0.472 126 G N -0.619 107.995 108.800 -0.310 0.000 2.515 126 G HA2 0.534 4.499 3.960 0.008 0.000 0.686 126 G HA3 0.534 4.499 3.960 0.008 0.000 0.686 126 G C -0.647 173.611 174.900 -1.070 0.000 1.274 126 G CA -0.231 44.526 45.100 -0.570 0.000 0.874 126 G HN 2.186 nan 8.290 nan 0.000 0.631 127 A N -0.851 121.224 122.820 -1.242 0.000 2.566 127 A HA 1.004 5.329 4.320 0.008 0.000 0.297 127 A C 0.638 177.945 177.584 -0.461 0.000 1.059 127 A CA 0.560 52.096 52.037 -0.835 0.000 0.691 127 A CB 1.138 19.896 19.000 -0.404 0.000 1.282 127 A HN 2.585 nan 8.150 nan 0.000 0.401 128 A N 0.648 123.436 122.820 -0.053 0.000 2.206 128 A HA 0.213 4.538 4.320 0.008 0.000 0.211 128 A C 1.709 179.346 177.584 0.089 0.000 1.158 128 A CA 1.774 53.983 52.037 0.285 0.000 0.761 128 A CB -0.561 18.704 19.000 0.442 0.000 0.801 128 A HN 1.761 nan 8.150 nan 0.000 0.473 129 S N -0.600 114.923 115.700 -0.296 0.000 2.575 129 S HA 0.310 4.785 4.470 0.008 0.000 0.215 129 S C 0.518 174.661 174.600 -0.762 0.000 0.966 129 S CA -0.437 57.136 58.200 -1.045 0.000 0.911 129 S CB -0.538 61.979 63.200 -1.140 0.000 0.780 129 S HN 0.389 nan 8.310 nan 0.000 0.514 130 L N 2.161 123.127 121.223 -0.429 0.000 2.461 130 L HA 0.166 4.511 4.340 0.008 0.000 0.272 130 L C 1.191 177.742 176.870 -0.531 0.000 1.197 130 L CA -0.450 54.084 54.840 -0.509 0.000 0.836 130 L CB 0.206 41.869 42.059 -0.660 0.000 1.105 130 L HN 0.059 nan 8.230 nan 0.000 0.477 131 D N 0.923 121.038 120.400 -0.474 0.000 2.149 131 D HA -0.143 4.502 4.640 0.008 0.000 0.198 131 D C 1.955 177.967 176.300 -0.481 0.000 0.990 131 D CA 1.247 55.024 54.000 -0.371 0.000 0.839 131 D CB -0.014 40.606 40.800 -0.299 0.000 0.948 131 D HN 0.510 nan 8.370 nan 0.000 0.460 132 V N -1.474 117.990 119.914 -0.750 0.000 3.078 132 V HA -0.142 3.982 4.120 0.008 0.000 0.265 132 V C 0.943 176.383 176.094 -1.091 0.000 1.122 132 V CA 1.000 62.797 62.300 -0.838 0.000 1.141 132 V CB -1.139 30.129 31.823 -0.925 0.000 0.735 132 V HN 0.079 nan 8.190 nan 0.000 0.498 133 Y N 0.082 119.798 120.300 -0.972 0.000 2.607 133 Y HA 0.455 5.010 4.550 0.007 0.000 0.266 133 Y C 0.769 176.080 175.900 -0.982 0.000 1.178 133 Y CA -1.981 55.182 58.100 -1.561 0.000 1.226 133 Y CB -0.620 37.307 38.460 -0.888 0.000 1.144 133 Y HN 0.232 nan 8.280 nan 0.000 0.528 134 D N 0.804 120.905 120.400 -0.498 0.000 2.349 134 D HA 0.068 4.713 4.640 0.008 0.000 0.266 134 D C 1.403 177.417 176.300 -0.478 0.000 1.293 134 D CA 0.323 54.110 54.000 -0.355 0.000 0.926 134 D CB 1.141 41.885 40.800 -0.094 0.000 1.090 134 D HN 0.462 nan 8.370 nan 0.000 0.502 135 G N 3.932 111.884 108.800 -1.413 0.000 2.956 135 G HA2 -0.175 3.789 3.960 0.008 0.000 0.207 135 G HA3 -0.175 3.789 3.960 0.008 0.000 0.207 135 G C 1.448 175.835 174.900 -0.854 0.000 1.162 135 G CA 0.233 44.669 45.100 -1.107 0.000 0.796 135 G HN 0.610 nan 8.290 nan 0.000 0.527 136 R N -0.770 119.201 120.500 -0.881 0.000 2.115 136 R HA 0.050 4.395 4.340 0.008 0.000 0.226 136 R C 1.639 177.667 176.300 -0.454 0.000 1.100 136 R CA 1.051 56.817 56.100 -0.558 0.000 0.980 136 R CB -0.588 29.375 30.300 -0.562 0.000 0.875 136 R HN 0.316 nan 8.270 nan 0.000 0.445 137 F N 1.409 121.276 119.950 -0.137 0.000 2.163 137 F HA 0.065 4.597 4.527 0.008 0.000 0.297 137 F C 2.203 177.946 175.800 -0.095 0.000 1.094 137 F CA 0.676 58.615 58.000 -0.101 0.000 1.290 137 F CB -0.464 38.464 39.000 -0.120 0.000 1.017 137 F HN -0.128 nan 8.300 nan 0.000 0.483 138 L N 0.023 121.273 121.223 0.045 0.000 2.017 138 L HA -0.188 4.157 4.340 0.008 0.000 0.208 138 L C 2.796 179.671 176.870 0.008 0.000 1.073 138 L CA 1.190 56.019 54.840 -0.019 0.000 0.745 138 L CB -1.024 40.976 42.059 -0.098 0.000 0.894 138 L HN 0.174 nan 8.230 nan 0.000 0.432 139 A N -0.810 122.020 122.820 0.018 0.000 1.873 139 A HA -0.294 4.031 4.320 0.008 0.000 0.218 139 A C 2.299 179.923 177.584 0.066 0.000 1.193 139 A CA 1.972 54.057 52.037 0.080 0.000 0.629 139 A CB -0.649 18.438 19.000 0.145 0.000 0.826 139 A HN 0.426 nan 8.150 nan 0.000 0.447 140 Q N -0.432 119.388 119.800 0.034 0.000 2.049 140 Q HA -0.080 4.265 4.340 0.008 0.000 0.198 140 Q C 2.254 178.280 176.000 0.044 0.000 0.971 140 Q CA 2.006 57.833 55.803 0.040 0.000 0.833 140 Q CB -0.272 28.472 28.738 0.009 0.000 0.896 140 Q HN 0.441 nan 8.270 nan 0.000 0.434 141 V N 1.108 121.047 119.914 0.043 0.000 2.446 141 V HA -0.106 4.019 4.120 0.008 0.000 0.244 141 V C 1.714 177.820 176.094 0.021 0.000 1.039 141 V CA 1.449 63.770 62.300 0.034 0.000 1.045 141 V CB -0.149 31.694 31.823 0.034 0.000 0.681 141 V HN 0.225 nan 8.190 nan 0.000 0.459 142 E N -0.172 120.038 120.200 0.017 0.000 2.481 142 E HA 0.203 4.557 4.350 0.008 0.000 0.198 142 E C 1.726 178.340 176.600 0.023 0.000 1.027 142 E CA 0.752 57.158 56.400 0.010 0.000 0.900 142 E CB 0.529 30.226 29.700 -0.005 0.000 0.993 142 E HN 0.593 nan 8.360 nan 0.000 0.482 143 G N 1.659 110.483 108.800 0.040 0.000 2.153 143 G HA2 -0.316 3.649 3.960 0.008 0.000 0.252 143 G HA3 -0.316 3.649 3.960 0.008 0.000 0.252 143 G C 0.543 175.483 174.900 0.066 0.000 0.994 143 G CA 0.328 45.461 45.100 0.055 0.000 0.698 143 G HN 0.494 nan 8.290 nan 0.000 0.521 144 A N -0.607 122.249 122.820 0.060 0.000 2.407 144 A HA 0.635 4.960 4.320 0.008 0.000 0.248 144 A C 0.638 178.294 177.584 0.121 0.000 1.082 144 A CA 0.298 52.376 52.037 0.068 0.000 0.785 144 A CB 0.956 19.977 19.000 0.035 0.000 1.020 144 A HN 1.139 nan 8.150 nan 0.000 0.489 145 V N 3.417 123.409 119.914 0.130 0.000 2.385 145 V HA 0.310 4.435 4.120 0.008 0.000 0.269 145 V C -0.001 176.217 176.094 0.207 0.000 1.043 145 V CA -0.009 62.398 62.300 0.178 0.000 0.906 145 V CB 0.726 32.645 31.823 0.161 0.000 0.995 145 V HN 0.716 nan 8.190 nan 0.000 0.467 146 L N 6.401 127.803 121.223 0.298 0.000 2.322 146 L HA 0.722 5.067 4.340 0.008 0.000 0.281 146 L C -0.778 176.381 176.870 0.481 0.000 1.014 146 L CA -0.257 54.814 54.840 0.384 0.000 0.815 146 L CB 1.841 44.124 42.059 0.373 0.000 1.247 146 L HN 0.432 nan 8.230 nan 0.000 0.421 147 V N 3.045 123.220 119.914 0.435 0.000 2.604 147 V HA 0.670 4.795 4.120 0.008 0.000 0.305 147 V C -0.445 175.916 176.094 0.446 0.000 1.043 147 V CA -0.491 62.030 62.300 0.368 0.000 0.888 147 V CB 1.927 33.892 31.823 0.236 0.000 0.995 147 V HN 0.831 nan 8.190 nan 0.000 0.429 148 S N 5.363 121.332 115.700 0.449 0.000 2.538 148 S HA 0.870 5.345 4.470 0.008 0.000 0.288 148 S C -0.756 174.021 174.600 0.295 0.000 1.108 148 S CA -0.817 57.647 58.200 0.440 0.000 0.971 148 S CB 2.184 65.763 63.200 0.631 0.000 1.041 148 S HN 0.843 nan 8.310 nan 0.000 0.483 149 M N 1.465 121.203 119.600 0.230 0.000 2.598 149 M HA 0.644 5.129 4.480 0.008 0.000 0.317 149 M C -1.469 175.076 176.300 0.409 0.000 1.179 149 M CA -0.553 54.889 55.300 0.237 0.000 0.936 149 M CB 0.892 33.471 32.600 -0.034 0.000 1.713 149 M HN 0.540 nan 8.290 nan 0.000 0.460 150 N N 2.495 121.482 118.700 0.479 0.000 2.530 150 N HA 0.563 5.308 4.740 0.008 0.000 0.277 150 N C -1.364 174.427 175.510 0.469 0.000 1.168 150 N CA 0.125 53.456 53.050 0.469 0.000 0.979 150 N CB 0.502 39.180 38.487 0.318 0.000 1.141 150 N HN 0.722 nan 8.380 nan 0.000 0.459 151 Y N -2.005 118.473 120.300 0.296 0.000 2.553 151 Y HA 0.560 5.114 4.550 0.008 0.000 0.347 151 Y C -0.104 175.913 175.900 0.196 0.000 1.019 151 Y CA -1.343 56.875 58.100 0.197 0.000 1.032 151 Y CB 0.916 39.426 38.460 0.082 0.000 1.284 151 Y HN 0.196 nan 8.280 nan 0.000 0.466 152 R N 1.806 122.442 120.500 0.227 0.000 2.570 152 R HA 0.480 4.825 4.340 0.008 0.000 0.277 152 R C -0.350 176.084 176.300 0.223 0.000 1.039 152 R CA -0.135 56.053 56.100 0.147 0.000 1.065 152 R CB 0.814 31.168 30.300 0.090 0.000 0.964 152 R HN 0.718 nan 8.270 nan 0.000 0.428 153 V N -0.470 119.623 119.914 0.297 0.000 3.126 153 V HA 0.884 5.008 4.120 0.008 0.000 0.314 153 V C 0.697 177.116 176.094 0.542 0.000 1.138 153 V CA -0.101 62.490 62.300 0.485 0.000 1.034 153 V CB 1.281 33.302 31.823 0.331 0.000 1.075 153 V HN 0.975 nan 8.190 nan 0.000 0.442 154 G N 2.014 111.186 108.800 0.620 0.000 2.564 154 G HA2 -0.293 3.672 3.960 0.008 0.000 0.273 154 G HA3 -0.293 3.672 3.960 0.008 0.000 0.273 154 G C 1.053 176.100 174.900 0.246 0.000 1.242 154 G CA 1.483 46.871 45.100 0.481 0.000 0.951 154 G HN 2.396 nan 8.290 nan 0.000 0.564 155 T N -1.683 112.708 114.554 -0.271 0.000 2.684 155 T HA -0.110 4.245 4.350 0.008 0.000 0.267 155 T C 2.163 176.744 174.700 -0.199 0.000 1.036 155 T CA 2.697 64.413 62.100 -0.641 0.000 1.148 155 T CB -0.479 67.848 68.868 -0.902 0.000 0.863 155 T HN 0.662 nan 8.240 nan 0.000 0.436 156 F N 2.243 122.267 119.950 0.124 0.000 2.202 156 F HA 0.185 4.716 4.527 0.008 0.000 0.301 156 F C 2.727 178.539 175.800 0.020 0.000 1.082 156 F CA 0.836 58.871 58.000 0.059 0.000 1.313 156 F CB -0.967 38.026 39.000 -0.012 0.000 1.024 156 F HN 0.404 nan 8.300 nan 0.000 0.495 157 G N -2.174 106.691 108.800 0.108 0.000 2.709 157 G HA2 0.046 4.010 3.960 0.008 0.000 0.208 157 G HA3 0.046 4.010 3.960 0.008 0.000 0.208 157 G C 0.905 175.350 174.900 -0.758 0.000 1.129 157 G CA 0.199 45.081 45.100 -0.365 0.000 0.793 157 G HN 0.337 nan 8.290 nan 0.000 0.524 158 F N -0.537 119.522 119.950 0.182 0.000 2.915 158 F HA 0.432 4.965 4.527 0.008 0.000 0.347 158 F C 0.470 176.378 175.800 0.180 0.000 1.104 158 F CA -1.040 57.051 58.000 0.152 0.000 1.126 158 F CB 0.340 39.441 39.000 0.168 0.000 1.145 158 F HN -0.073 nan 8.300 nan 0.000 0.541 159 L N 2.120 123.450 121.223 0.179 0.000 2.462 159 L HA 0.570 4.915 4.340 0.008 0.000 0.272 159 L C -0.099 176.777 176.870 0.010 0.000 1.166 159 L CA -0.043 54.832 54.840 0.059 0.000 0.880 159 L CB 0.443 42.234 42.059 -0.446 0.000 1.142 159 L HN 0.106 nan 8.230 nan 0.000 0.473 160 A N 6.142 129.004 122.820 0.070 0.000 2.393 160 A HA 0.688 5.012 4.320 0.008 0.000 0.306 160 A C -1.119 176.461 177.584 -0.007 0.000 1.050 160 A CA -0.600 51.450 52.037 0.022 0.000 0.724 160 A CB 1.352 20.391 19.000 0.065 0.000 1.248 160 A HN 0.717 nan 8.150 nan 0.000 0.424 161 L N 3.414 124.617 121.223 -0.033 0.000 2.371 161 L HA 0.329 4.674 4.340 0.008 0.000 0.262 161 L C -2.441 174.427 176.870 -0.003 0.000 1.054 161 L CA -1.564 53.262 54.840 -0.023 0.000 0.924 161 L CB 1.384 43.417 42.059 -0.044 0.000 1.295 161 L HN 0.402 nan 8.230 nan 0.000 0.441 162 P HA 0.077 nan 4.420 nan 0.000 0.262 162 P C 0.970 178.278 177.300 0.013 0.000 1.182 162 P CA 0.787 63.896 63.100 0.015 0.000 0.761 162 P CB 0.887 32.595 31.700 0.013 0.000 0.795 163 G N 1.920 110.731 108.800 0.019 0.000 2.213 163 G HA2 -0.238 3.727 3.960 0.008 0.000 0.236 163 G HA3 -0.238 3.727 3.960 0.008 0.000 0.236 163 G C 0.400 175.311 174.900 0.018 0.000 0.991 163 G CA 0.223 45.333 45.100 0.018 0.000 0.629 163 G HN 0.783 nan 8.290 nan 0.000 0.517 164 S N -0.213 115.497 115.700 0.017 0.000 2.617 164 S HA 0.633 5.108 4.470 0.008 0.000 0.269 164 S C 1.221 175.838 174.600 0.028 0.000 1.292 164 S CA 0.362 58.572 58.200 0.018 0.000 1.010 164 S CB 2.062 65.267 63.200 0.009 0.000 0.944 164 S HN 0.413 nan 8.310 nan 0.000 0.536 165 R N 0.360 120.878 120.500 0.031 0.000 2.100 165 R HA 0.012 4.357 4.340 0.008 0.000 0.220 165 R C 1.161 177.491 176.300 0.050 0.000 1.091 165 R CA 1.288 57.411 56.100 0.038 0.000 0.986 165 R CB -0.220 30.101 30.300 0.035 0.000 0.888 165 R HN 0.822 nan 8.270 nan 0.000 0.444 166 E N -0.779 119.451 120.200 0.051 0.000 2.400 166 E HA 0.117 4.472 4.350 0.008 0.000 0.195 166 E C -0.136 176.524 176.600 0.101 0.000 1.012 166 E CA 0.583 57.028 56.400 0.076 0.000 0.875 166 E CB 0.994 30.738 29.700 0.074 0.000 0.859 166 E HN 0.228 nan 8.360 nan 0.000 0.498 167 A N 1.165 124.018 122.820 0.055 0.000 3.300 167 A HA 0.292 4.616 4.320 0.008 0.000 0.300 167 A C -2.232 175.366 177.584 0.024 0.000 1.099 167 A CA -0.918 51.140 52.037 0.035 0.000 0.846 167 A CB 0.504 19.441 19.000 -0.106 0.000 1.255 167 A HN -0.078 nan 8.150 nan 0.000 0.519 168 P HA 0.208 nan 4.420 nan 0.000 0.241 168 P C 0.869 178.200 177.300 0.051 0.000 1.191 168 P CA 1.550 64.679 63.100 0.047 0.000 0.771 168 P CB 0.244 31.979 31.700 0.059 0.000 0.929 169 G N 0.842 109.674 108.800 0.052 0.000 2.699 169 G HA2 -0.173 3.791 3.960 0.008 0.000 0.686 169 G HA3 -0.173 3.791 3.960 0.008 0.000 0.686 169 G C -0.072 174.853 174.900 0.042 0.000 1.301 169 G CA -0.283 44.855 45.100 0.063 0.000 0.816 169 G HN 0.103 nan 8.290 nan 0.000 0.595 170 N N -2.506 116.227 118.700 0.056 0.000 2.828 170 N HA -0.281 4.464 4.740 0.008 0.000 0.248 170 N C 1.897 177.306 175.510 -0.168 0.000 1.044 170 N CA 2.508 55.536 53.050 -0.035 0.000 0.851 170 N CB -1.624 36.788 38.487 -0.126 0.000 1.136 170 N HN 1.926 nan 8.380 nan 0.000 0.572 171 V N -2.539 117.274 119.914 -0.168 0.000 2.626 171 V HA 0.026 4.151 4.120 0.008 0.000 0.252 171 V C 2.308 178.291 176.094 -0.186 0.000 1.067 171 V CA 2.311 64.541 62.300 -0.116 0.000 1.081 171 V CB -0.894 30.910 31.823 -0.032 0.000 0.686 171 V HN 0.269 nan 8.190 nan 0.000 0.468 172 G N 0.538 109.032 108.800 -0.511 0.000 2.422 172 G HA2 -0.159 3.806 3.960 0.008 0.000 0.218 172 G HA3 -0.159 3.806 3.960 0.008 0.000 0.218 172 G C 1.547 176.404 174.900 -0.072 0.000 1.146 172 G CA 1.190 46.091 45.100 -0.332 0.000 0.769 172 G HN 0.544 nan 8.290 nan 0.000 0.547 173 L N -0.217 120.927 121.223 -0.133 0.000 2.141 173 L HA 0.086 4.431 4.340 0.008 0.000 0.209 173 L C 2.775 179.656 176.870 0.019 0.000 1.094 173 L CA 0.322 55.043 54.840 -0.198 0.000 0.763 173 L CB -0.239 41.369 42.059 -0.751 0.000 0.908 173 L HN 0.191 nan 8.230 nan 0.000 0.437 174 L N -0.735 120.515 121.223 0.045 0.000 2.156 174 L HA -0.162 4.183 4.340 0.008 0.000 0.208 174 L C 2.134 179.122 176.870 0.197 0.000 1.095 174 L CA 0.674 55.634 54.840 0.199 0.000 0.770 174 L CB -0.544 41.617 42.059 0.169 0.000 0.914 174 L HN 0.243 nan 8.230 nan 0.000 0.439 175 D N 0.136 120.641 120.400 0.176 0.000 2.104 175 D HA -0.219 4.426 4.640 0.008 0.000 0.194 175 D C 2.251 178.687 176.300 0.227 0.000 0.994 175 D CA 1.271 55.452 54.000 0.301 0.000 0.830 175 D CB -0.186 40.813 40.800 0.333 0.000 0.959 175 D HN 0.391 nan 8.370 nan 0.000 0.452 176 Q N 0.021 119.891 119.800 0.116 0.000 2.084 176 Q HA -0.119 4.226 4.340 0.008 0.000 0.202 176 Q C 2.283 178.254 176.000 -0.047 0.000 0.978 176 Q CA 1.000 56.795 55.803 -0.014 0.000 0.844 176 Q CB -0.032 28.699 28.738 -0.013 0.000 0.898 176 Q HN 0.203 nan 8.270 nan 0.000 0.426 177 R N 0.544 121.117 120.500 0.122 0.000 2.075 177 R HA -0.160 4.185 4.340 0.008 0.000 0.232 177 R C 2.174 178.510 176.300 0.061 0.000 1.126 177 R CA 0.937 57.101 56.100 0.106 0.000 0.963 177 R CB -0.222 30.261 30.300 0.306 0.000 0.858 177 R HN 0.219 nan 8.270 nan 0.000 0.435 178 L N 1.005 122.291 121.223 0.105 0.000 2.042 178 L HA -0.089 4.256 4.340 0.008 0.000 0.210 178 L C 2.316 179.187 176.870 0.002 0.000 1.076 178 L CA 2.140 57.063 54.840 0.137 0.000 0.749 178 L CB -0.708 41.529 42.059 0.296 0.000 0.893 178 L HN 0.286 nan 8.230 nan 0.000 0.432 179 A N -0.677 121.908 122.820 -0.391 0.000 1.940 179 A HA -0.172 4.153 4.320 0.008 0.000 0.219 179 A C 2.221 179.744 177.584 -0.103 0.000 1.176 179 A CA 1.917 53.605 52.037 -0.582 0.000 0.631 179 A CB -0.819 17.639 19.000 -0.905 0.000 0.814 179 A HN 0.505 nan 8.150 nan 0.000 0.446 180 L N -1.211 119.964 121.223 -0.080 0.000 2.141 180 L HA -0.217 4.127 4.340 0.008 0.000 0.209 180 L C 2.793 179.711 176.870 0.081 0.000 1.094 180 L CA 1.466 56.306 54.840 0.000 0.000 0.763 180 L CB -0.756 41.263 42.059 -0.067 0.000 0.908 180 L HN 0.511 nan 8.230 nan 0.000 0.437 181 Q N -0.969 118.886 119.800 0.092 0.000 2.083 181 Q HA -0.236 4.109 4.340 0.008 0.000 0.198 181 Q C 2.039 178.131 176.000 0.153 0.000 0.969 181 Q CA 1.795 57.665 55.803 0.111 0.000 0.838 181 Q CB -0.251 28.555 28.738 0.114 0.000 0.900 181 Q HN 0.509 nan 8.270 nan 0.000 0.436 182 W N 0.624 121.937 121.300 0.023 0.000 2.318 182 W HA -0.273 4.392 4.660 0.007 0.000 0.313 182 W C 1.864 178.418 176.519 0.059 0.000 1.221 182 W CA 1.528 58.908 57.345 0.058 0.000 1.266 182 W CB -0.194 29.306 29.460 0.067 0.000 1.150 182 W HN -0.130 nan 8.180 nan 0.000 0.496 183 V N 0.877 121.041 119.914 0.417 0.000 2.332 183 V HA -0.359 3.766 4.120 0.008 0.000 0.248 183 V C 2.557 178.685 176.094 0.057 0.000 1.055 183 V CA 2.117 64.582 62.300 0.275 0.000 1.038 183 V CB -1.057 30.935 31.823 0.282 0.000 0.651 183 V HN 0.235 nan 8.190 nan 0.000 0.450 184 Q N -0.267 119.569 119.800 0.060 0.000 2.096 184 Q HA -0.266 4.078 4.340 0.008 0.000 0.204 184 Q C 2.258 178.231 176.000 -0.045 0.000 0.982 184 Q CA 2.150 57.968 55.803 0.026 0.000 0.850 184 Q CB -0.256 28.504 28.738 0.037 0.000 0.901 184 Q HN 0.801 nan 8.270 nan 0.000 0.422 185 E N -0.449 119.683 120.200 -0.113 0.000 2.170 185 E HA -0.063 4.292 4.350 0.008 0.000 0.191 185 E C 1.193 177.636 176.600 -0.262 0.000 0.981 185 E CA 0.597 56.895 56.400 -0.170 0.000 0.830 185 E CB 0.338 29.933 29.700 -0.176 0.000 0.775 185 E HN 0.280 nan 8.360 nan 0.000 0.470 186 N N -0.067 118.370 118.700 -0.439 0.000 2.332 186 N HA -0.010 4.735 4.740 0.008 0.000 0.190 186 N C 1.516 176.883 175.510 -0.239 0.000 1.117 186 N CA 0.058 52.777 53.050 -0.552 0.000 0.883 186 N CB 0.326 38.025 38.487 -1.314 0.000 1.089 186 N HN 0.121 nan 8.380 nan 0.000 0.480 187 I N 2.384 122.887 120.570 -0.110 0.000 2.454 187 I HA -0.109 4.066 4.170 0.008 0.000 0.254 187 I C 2.074 178.298 176.117 0.178 0.000 1.156 187 I CA 0.556 61.951 61.300 0.158 0.000 1.433 187 I CB -0.245 37.842 38.000 0.144 0.000 1.082 187 I HN 0.046 nan 8.210 nan 0.000 0.432 188 A N 0.131 122.976 122.820 0.041 0.000 2.070 188 A HA -0.051 4.273 4.320 0.008 0.000 0.220 188 A C 2.457 180.022 177.584 -0.031 0.000 1.159 188 A CA 1.381 53.425 52.037 0.012 0.000 0.656 188 A CB -0.974 18.009 19.000 -0.027 0.000 0.800 188 A HN 0.464 nan 8.150 nan 0.000 0.453 189 A N -1.354 121.401 122.820 -0.109 0.000 2.070 189 A HA 0.081 4.406 4.320 0.008 0.000 0.220 189 A C 1.523 178.845 177.584 -0.438 0.000 1.159 189 A CA 1.158 53.003 52.037 -0.320 0.000 0.656 189 A CB -0.597 18.098 19.000 -0.509 0.000 0.800 189 A HN 0.507 nan 8.150 nan 0.000 0.453 190 F N -1.486 118.410 119.950 -0.089 0.000 2.695 190 F HA 0.388 4.920 4.527 0.008 0.000 0.303 190 F C 1.773 177.574 175.800 0.003 0.000 1.091 190 F CA 0.542 58.505 58.000 -0.063 0.000 1.300 190 F CB 0.373 39.345 39.000 -0.046 0.000 1.071 190 F HN 0.322 nan 8.300 nan 0.000 0.578 191 G N 0.241 109.120 108.800 0.132 0.000 2.175 191 G HA2 -0.184 3.781 3.960 0.008 0.000 0.244 191 G HA3 -0.184 3.781 3.960 0.008 0.000 0.244 191 G C 0.665 175.629 174.900 0.107 0.000 0.982 191 G CA -0.309 44.847 45.100 0.095 0.000 0.641 191 G HN 0.705 nan 8.290 nan 0.000 0.527 192 G N -0.371 108.517 108.800 0.146 0.000 2.503 192 G HA2 0.451 4.415 3.960 0.008 0.000 0.257 192 G HA3 0.451 4.415 3.960 0.008 0.000 0.257 192 G C -0.622 174.324 174.900 0.076 0.000 1.214 192 G CA 0.354 45.526 45.100 0.121 0.000 0.839 192 G HN 0.216 nan 8.290 nan 0.000 0.559 193 D N 1.573 122.006 120.400 0.057 0.000 2.396 193 D HA 0.272 4.917 4.640 0.008 0.000 0.225 193 D C -1.151 175.172 176.300 0.039 0.000 1.121 193 D CA -2.351 51.664 54.000 0.025 0.000 0.853 193 D CB 1.901 42.697 40.800 -0.007 0.000 1.043 193 D HN 0.065 nan 8.370 nan 0.000 0.500 194 P HA -0.058 nan 4.420 nan 0.000 0.230 194 P C 1.246 178.627 177.300 0.135 0.000 1.158 194 P CA 0.528 63.683 63.100 0.091 0.000 0.769 194 P CB 0.234 31.971 31.700 0.061 0.000 0.807 195 M N -1.079 118.530 119.600 0.015 0.000 2.561 195 M HA 0.065 4.550 4.480 0.008 0.000 0.238 195 M C 0.588 176.537 176.300 -0.586 0.000 1.131 195 M CA 0.527 55.742 55.300 -0.141 0.000 1.046 195 M CB 0.111 32.647 32.600 -0.107 0.000 1.532 195 M HN -0.173 nan 8.290 nan 0.000 0.497 196 S N 0.740 116.254 115.700 -0.310 0.000 2.383 196 S HA 0.450 4.925 4.470 0.008 0.000 0.196 196 S C -1.108 173.508 174.600 0.027 0.000 1.364 196 S CA -0.565 57.460 58.200 -0.292 0.000 1.212 196 S CB 0.575 63.667 63.200 -0.181 0.000 1.171 196 S HN -0.028 nan 8.310 nan 0.000 0.456 197 V N 4.160 124.267 119.914 0.321 0.000 2.444 197 V HA 0.563 4.688 4.120 0.008 0.000 0.294 197 V C -0.122 176.173 176.094 0.336 0.000 1.022 197 V CA -0.461 62.037 62.300 0.330 0.000 0.850 197 V CB 2.039 34.072 31.823 0.350 0.000 0.992 197 V HN 0.754 nan 8.190 nan 0.000 0.426 198 T N 6.504 121.192 114.554 0.223 0.000 2.786 198 T HA 0.579 4.933 4.350 0.008 0.000 0.283 198 T C -0.245 174.592 174.700 0.227 0.000 0.992 198 T CA -0.346 61.883 62.100 0.217 0.000 0.954 198 T CB 0.832 69.772 68.868 0.120 0.000 0.934 198 T HN 0.345 nan 8.240 nan 0.000 0.440 199 L N 4.898 126.222 121.223 0.168 0.000 2.349 199 L HA 0.645 4.990 4.340 0.008 0.000 0.275 199 L C -0.385 176.685 176.870 0.333 0.000 1.115 199 L CA -0.763 54.149 54.840 0.120 0.000 0.820 199 L CB 0.250 42.160 42.059 -0.248 0.000 1.135 199 L HN 0.619 nan 8.230 nan 0.000 0.445 200 F N 0.562 120.576 119.950 0.107 0.000 2.578 200 F HA 0.951 5.482 4.527 0.007 0.000 0.311 200 F C -0.302 175.475 175.800 -0.038 0.000 1.094 200 F CA -1.502 56.609 58.000 0.184 0.000 0.923 200 F CB 1.544 40.804 39.000 0.434 0.000 1.230 200 F HN 0.458 nan 8.300 nan 0.000 0.450 201 G N 1.330 109.988 108.800 -0.237 0.000 2.623 201 G HA2 0.504 4.469 3.960 0.008 0.000 0.290 201 G HA3 0.504 4.469 3.960 0.008 0.000 0.290 201 G C -2.483 172.163 174.900 -0.423 0.000 1.437 201 G CA -0.791 43.743 45.100 -0.943 0.000 0.798 201 G HN 0.851 nan 8.290 nan 0.000 0.488 202 E N 0.184 120.097 120.200 -0.478 0.000 2.288 202 E HA 0.627 4.982 4.350 0.008 0.000 0.268 202 E C 0.628 177.150 176.600 -0.131 0.000 0.885 202 E CA 0.288 56.641 56.400 -0.078 0.000 0.767 202 E CB 2.207 32.010 29.700 0.172 0.000 1.220 202 E HN 0.891 nan 8.360 nan 0.000 0.427 203 S N 2.778 118.473 115.700 -0.008 0.000 4.140 203 S HA -0.394 4.080 4.470 0.008 0.000 0.618 203 S C 1.474 176.152 174.600 0.131 0.000 1.896 203 S CA 2.219 60.485 58.200 0.109 0.000 4.240 203 S CB -1.654 61.531 63.200 -0.026 0.000 0.208 203 S HN 0.967 nan 8.310 nan 0.000 0.487 204 A N 1.191 123.924 122.820 -0.145 0.000 2.019 204 A HA 0.190 4.515 4.320 0.008 0.000 0.219 204 A C 2.528 179.824 177.584 -0.480 0.000 1.164 204 A CA 2.388 54.137 52.037 -0.481 0.000 0.644 204 A CB -1.585 16.734 19.000 -1.135 0.000 0.805 204 A HN 1.628 nan 8.150 nan 0.000 0.449 205 G N -0.529 108.039 108.800 -0.387 0.000 2.418 205 G HA2 0.017 3.982 3.960 0.008 0.000 0.217 205 G HA3 0.017 3.982 3.960 0.008 0.000 0.217 205 G C 1.703 176.408 174.900 -0.325 0.000 1.158 205 G CA 1.321 46.145 45.100 -0.460 0.000 0.771 205 G HN 0.760 nan 8.290 nan 0.000 0.545 206 A N 1.102 123.809 122.820 -0.187 0.000 1.897 206 A HA 0.388 4.712 4.320 0.008 0.000 0.215 206 A C 2.817 180.381 177.584 -0.033 0.000 1.181 206 A CA 1.947 53.942 52.037 -0.071 0.000 0.620 206 A CB -0.774 18.244 19.000 0.030 0.000 0.821 206 A HN 0.742 nan 8.150 nan 0.000 0.443 207 A N -0.222 122.609 122.820 0.019 0.000 1.892 207 A HA -0.151 4.173 4.320 0.008 0.000 0.218 207 A C 2.453 180.036 177.584 -0.002 0.000 1.188 207 A CA 2.299 54.336 52.037 0.001 0.000 0.631 207 A CB -1.027 18.017 19.000 0.073 0.000 0.822 207 A HN 0.450 nan 8.150 nan 0.000 0.447 208 S N -0.579 115.117 115.700 -0.006 0.000 2.359 208 S HA -0.158 4.317 4.470 0.008 0.000 0.224 208 S C 1.916 176.462 174.600 -0.090 0.000 1.035 208 S CA 1.472 59.622 58.200 -0.084 0.000 1.018 208 S CB -0.599 62.484 63.200 -0.195 0.000 0.876 208 S HN 0.361 nan 8.310 nan 0.000 0.448 209 V N 1.575 121.447 119.914 -0.070 0.000 2.282 209 V HA -0.213 3.911 4.120 0.008 0.000 0.249 209 V C 2.598 178.681 176.094 -0.019 0.000 1.057 209 V CA 2.084 64.355 62.300 -0.049 0.000 1.032 209 V CB -1.471 30.302 31.823 -0.082 0.000 0.645 209 V HN 0.612 nan 8.190 nan 0.000 0.447 210 G N -1.311 107.472 108.800 -0.028 0.000 2.422 210 G HA2 -0.233 3.731 3.960 0.008 0.000 0.218 210 G HA3 -0.233 3.731 3.960 0.008 0.000 0.218 210 G C 1.597 176.507 174.900 0.017 0.000 1.140 210 G CA 0.818 45.910 45.100 -0.014 0.000 0.775 210 G HN 0.446 nan 8.290 nan 0.000 0.545 211 M N -0.134 119.456 119.600 -0.017 0.000 2.296 211 M HA 0.022 4.507 4.480 0.008 0.000 0.265 211 M C 2.245 178.607 176.300 0.105 0.000 1.064 211 M CA 0.761 56.081 55.300 0.033 0.000 1.109 211 M CB -0.188 32.394 32.600 -0.031 0.000 1.396 211 M HN 0.210 nan 8.290 nan 0.000 0.430 212 H N -0.019 119.164 119.070 0.189 0.000 2.395 212 H HA 0.018 4.578 4.556 0.008 0.000 0.299 212 H C 2.097 177.622 175.328 0.329 0.000 1.070 212 H CA 1.345 57.515 56.048 0.204 0.000 1.356 212 H CB -0.290 29.478 29.762 0.010 0.000 1.401 212 H HN 0.402 nan 8.280 nan 0.000 0.524 213 I N 0.727 121.561 120.570 0.441 0.000 2.335 213 I HA -0.253 3.922 4.170 0.008 0.000 0.251 213 I C 1.786 178.085 176.117 0.303 0.000 1.129 213 I CA 1.199 62.764 61.300 0.442 0.000 1.402 213 I CB -0.118 38.050 38.000 0.279 0.000 1.069 213 I HN 0.119 nan 8.210 nan 0.000 0.424 214 L N -0.969 120.382 121.223 0.212 0.000 2.607 214 L HA 0.143 4.488 4.340 0.008 0.000 0.228 214 L C 0.851 177.760 176.870 0.065 0.000 1.123 214 L CA 0.012 54.954 54.840 0.170 0.000 0.890 214 L CB 0.191 42.331 42.059 0.134 0.000 1.103 214 L HN 0.006 nan 8.230 nan 0.000 0.468 215 S N -0.110 115.594 115.700 0.006 0.000 2.594 215 S HA 0.238 4.713 4.470 0.008 0.000 0.322 215 S C 0.659 175.177 174.600 -0.135 0.000 1.085 215 S CA -0.593 57.488 58.200 -0.198 0.000 1.116 215 S CB 1.272 64.064 63.200 -0.681 0.000 0.979 215 S HN 0.158 nan 8.310 nan 0.000 0.465 216 L N 7.367 128.522 121.223 -0.114 0.000 1.997 216 L HA 0.044 4.388 4.340 0.008 0.000 0.216 216 L C -1.059 175.764 176.870 -0.077 0.000 1.074 216 L CA 2.284 57.076 54.840 -0.080 0.000 0.763 216 L CB -1.022 40.992 42.059 -0.075 0.000 0.890 216 L HN 0.493 nan 8.230 nan 0.000 0.434 217 P HA -0.090 nan 4.420 nan 0.000 0.223 217 P C 1.448 178.739 177.300 -0.014 0.000 1.144 217 P CA 1.330 64.394 63.100 -0.061 0.000 0.783 217 P CB -0.000 31.656 31.700 -0.072 0.000 0.771 218 S N -1.209 114.502 115.700 0.019 0.000 2.478 218 S HA 0.060 4.535 4.470 0.008 0.000 0.222 218 S C 1.758 176.454 174.600 0.160 0.000 1.008 218 S CA 0.273 58.574 58.200 0.169 0.000 0.928 218 S CB -0.230 63.203 63.200 0.388 0.000 0.781 218 S HN 0.091 nan 8.310 nan 0.000 0.518 219 R N 1.996 122.491 120.500 -0.009 0.000 2.189 219 R HA 0.051 4.396 4.340 0.008 0.000 0.223 219 R C 2.134 178.209 176.300 -0.374 0.000 1.092 219 R CA 1.065 56.993 56.100 -0.285 0.000 0.989 219 R CB -0.954 29.227 30.300 -0.199 0.000 0.876 219 R HN 0.541 nan 8.270 nan 0.000 0.457 220 S N 0.097 115.682 115.700 -0.192 0.000 2.555 220 S HA 0.038 4.513 4.470 0.008 0.000 0.230 220 S C 1.703 176.202 174.600 -0.169 0.000 0.978 220 S CA 0.433 58.530 58.200 -0.172 0.000 0.934 220 S CB -0.154 62.995 63.200 -0.084 0.000 0.766 220 S HN 0.225 nan 8.310 nan 0.000 0.533 221 L N 0.309 121.465 121.223 -0.112 0.000 2.693 221 L HA 0.502 4.847 4.340 0.008 0.000 0.235 221 L C -0.003 176.920 176.870 0.087 0.000 1.127 221 L CA -0.409 54.441 54.840 0.017 0.000 0.914 221 L CB -0.062 42.053 42.059 0.095 0.000 1.193 221 L HN 0.482 nan 8.230 nan 0.000 0.502 222 F N -4.133 115.635 119.950 -0.304 0.000 2.817 222 F HA 0.457 4.989 4.527 0.007 0.000 0.317 222 F C 0.239 175.713 175.800 -0.544 0.000 1.168 222 F CA -0.995 56.819 58.000 -0.310 0.000 0.911 222 F CB 0.828 39.785 39.000 -0.071 0.000 1.337 222 F HN -0.161 nan 8.300 nan 0.000 0.464 223 H N -0.715 118.406 119.070 0.086 0.000 3.266 223 H HA 0.445 5.005 4.556 0.007 0.000 0.246 223 H C -0.150 175.205 175.328 0.045 0.000 0.998 223 H CA -0.076 55.945 56.048 -0.045 0.000 1.152 223 H CB 1.117 30.860 29.762 -0.032 0.000 1.466 223 H HN 0.426 nan 8.280 nan 0.000 0.481 224 R N 0.264 120.962 120.500 0.330 0.000 2.774 224 R HA 0.709 5.054 4.340 0.008 0.000 0.272 224 R C -1.482 175.089 176.300 0.450 0.000 1.000 224 R CA -0.608 55.658 56.100 0.277 0.000 0.906 224 R CB 2.959 33.226 30.300 -0.055 0.000 1.227 224 R HN 0.155 nan 8.270 nan 0.000 0.468 225 A N 1.214 124.305 122.820 0.452 0.000 2.486 225 A HA 0.650 4.975 4.320 0.008 0.000 0.300 225 A C -1.432 176.304 177.584 0.252 0.000 1.048 225 A CA -0.605 51.618 52.037 0.309 0.000 0.696 225 A CB 1.842 20.971 19.000 0.215 0.000 1.278 225 A HN 0.321 nan 8.150 nan 0.000 0.405 226 V N 2.454 122.480 119.914 0.186 0.000 2.409 226 V HA 0.466 4.590 4.120 0.008 0.000 0.291 226 V C -1.025 175.160 176.094 0.151 0.000 1.020 226 V CA -0.324 62.020 62.300 0.074 0.000 0.848 226 V CB 1.070 32.945 31.823 0.086 0.000 0.990 226 V HN 0.673 nan 8.190 nan 0.000 0.430 227 L N 5.410 126.690 121.223 0.095 0.000 2.294 227 L HA 0.513 4.857 4.340 0.008 0.000 0.283 227 L C 0.097 177.070 176.870 0.171 0.000 1.015 227 L CA 0.082 54.981 54.840 0.098 0.000 0.831 227 L CB 1.392 43.464 42.059 0.021 0.000 1.217 227 L HN 0.621 nan 8.230 nan 0.000 0.420 228 Q N 2.106 122.053 119.800 0.245 0.000 2.368 228 Q HA 0.422 4.767 4.340 0.008 0.000 0.256 228 Q C 0.112 176.240 176.000 0.214 0.000 0.980 228 Q CA -0.492 55.515 55.803 0.339 0.000 0.887 228 Q CB 1.235 30.257 28.738 0.474 0.000 1.221 228 Q HN 0.644 nan 8.270 nan 0.000 0.458 229 S N 1.061 116.877 115.700 0.193 0.000 3.614 229 S HA -0.168 4.307 4.470 0.008 0.000 0.360 229 S C 0.046 174.844 174.600 0.329 0.000 1.023 229 S CA 0.536 58.881 58.200 0.241 0.000 1.114 229 S CB -1.196 62.146 63.200 0.237 0.000 0.907 229 S HN 0.985 nan 8.310 nan 0.000 0.470 230 G N -0.472 108.476 108.800 0.246 0.000 2.519 230 G HA2 0.671 4.636 3.960 0.008 0.000 0.292 230 G HA3 0.671 4.636 3.960 0.008 0.000 0.292 230 G C -0.933 174.036 174.900 0.115 0.000 1.507 230 G CA 0.202 45.500 45.100 0.330 0.000 0.806 230 G HN 1.052 nan 8.290 nan 0.000 0.523 231 T N -1.419 113.135 114.554 0.001 0.000 2.885 231 T HA 0.720 5.074 4.350 0.008 0.000 0.322 231 T C -2.404 172.141 174.700 -0.258 0.000 1.387 231 T CA -1.129 60.893 62.100 -0.129 0.000 1.041 231 T CB 2.983 71.760 68.868 -0.150 0.000 1.287 231 T HN 0.310 nan 8.240 nan 0.000 0.491 232 P HA -0.020 nan 4.420 nan 0.000 0.218 232 P C 0.323 177.455 177.300 -0.280 0.000 1.152 232 P CA 0.686 63.656 63.100 -0.218 0.000 0.826 232 P CB -0.100 31.529 31.700 -0.119 0.000 0.790 233 N N 0.766 119.323 118.700 -0.239 0.000 2.317 233 N HA 0.272 5.017 4.740 0.008 0.000 0.245 233 N C 0.817 176.115 175.510 -0.353 0.000 1.294 233 N CA 0.736 53.644 53.050 -0.237 0.000 0.924 233 N CB 0.070 38.463 38.487 -0.157 0.000 1.186 233 N HN 0.236 nan 8.380 nan 0.000 0.495 234 G N -0.767 107.845 108.800 -0.314 0.000 2.525 234 G HA2 -0.119 3.846 3.960 0.008 0.000 0.685 234 G HA3 -0.119 3.846 3.960 0.008 0.000 0.685 234 G C -2.231 172.419 174.900 -0.416 0.000 1.290 234 G CA -0.203 44.661 45.100 -0.392 0.000 0.915 234 G HN 0.549 nan 8.290 nan 0.000 0.548 235 P HA 0.126 nan 4.420 nan 0.000 0.240 235 P C 1.420 178.637 177.300 -0.138 0.000 1.190 235 P CA 1.930 64.883 63.100 -0.245 0.000 0.781 235 P CB -0.031 31.488 31.700 -0.301 0.000 0.931 236 W N -1.461 119.720 121.300 -0.197 0.000 2.873 236 W HA 0.542 5.206 4.660 0.006 0.000 0.282 236 W C 1.175 177.742 176.519 0.080 0.000 1.118 236 W CA 0.462 57.766 57.345 -0.069 0.000 1.480 236 W CB -0.800 28.627 29.460 -0.055 0.000 0.954 236 W HN -0.173 nan 8.180 nan 0.000 0.591 237 A N 1.949 124.432 122.820 -0.561 0.000 2.067 237 A HA 0.119 4.444 4.320 0.008 0.000 0.217 237 A C 1.170 178.566 177.584 -0.313 0.000 1.156 237 A CA 1.873 53.637 52.037 -0.455 0.000 0.683 237 A CB -0.817 17.686 19.000 -0.827 0.000 0.808 237 A HN 0.269 nan 8.150 nan 0.000 0.455 238 T N -3.452 110.946 114.554 -0.260 0.000 2.865 238 T HA 0.618 4.973 4.350 0.008 0.000 0.294 238 T C -0.715 173.899 174.700 -0.143 0.000 1.119 238 T CA -0.127 61.839 62.100 -0.223 0.000 1.007 238 T CB 1.466 70.218 68.868 -0.193 0.000 1.225 238 T HN 0.856 nan 8.240 nan 0.000 0.515 239 V N -1.079 118.764 119.914 -0.119 0.000 2.962 239 V HA 0.870 4.994 4.120 0.008 0.000 0.313 239 V C 0.398 176.453 176.094 -0.065 0.000 1.099 239 V CA -0.851 61.399 62.300 -0.083 0.000 0.971 239 V CB 1.243 33.020 31.823 -0.077 0.000 1.028 239 V HN 1.393 nan 8.190 nan 0.000 0.430 240 S N 2.281 117.950 115.700 -0.052 0.000 2.580 240 S HA 0.452 4.926 4.470 0.008 0.000 0.266 240 S C 1.499 176.083 174.600 -0.027 0.000 1.354 240 S CA 0.215 58.393 58.200 -0.037 0.000 1.008 240 S CB 0.990 64.170 63.200 -0.032 0.000 0.898 240 S HN 2.001 nan 8.310 nan 0.000 0.555 241 A N 2.069 124.879 122.820 -0.017 0.000 1.908 241 A HA 0.080 4.405 4.320 0.008 0.000 0.218 241 A C 2.251 179.829 177.584 -0.010 0.000 1.181 241 A CA 1.840 53.873 52.037 -0.007 0.000 0.627 241 A CB -1.862 17.137 19.000 -0.001 0.000 0.818 241 A HN 1.185 nan 8.150 nan 0.000 0.445 242 G N -0.653 108.139 108.800 -0.014 0.000 2.422 242 G HA2 -0.206 3.759 3.960 0.008 0.000 0.218 242 G HA3 -0.206 3.759 3.960 0.008 0.000 0.218 242 G C 1.476 176.365 174.900 -0.019 0.000 1.146 242 G CA 1.349 46.440 45.100 -0.014 0.000 0.769 242 G HN 0.583 nan 8.290 nan 0.000 0.547 243 E N 0.976 121.159 120.200 -0.027 0.000 2.107 243 E HA 0.128 4.482 4.350 0.008 0.000 0.191 243 E C 2.643 179.215 176.600 -0.046 0.000 0.982 243 E CA 1.298 57.674 56.400 -0.039 0.000 0.809 243 E CB -0.526 29.146 29.700 -0.047 0.000 0.756 243 E HN 0.249 nan 8.360 nan 0.000 0.459 244 A N 1.006 123.806 122.820 -0.033 0.000 1.902 244 A HA -0.203 4.122 4.320 0.008 0.000 0.217 244 A C 2.295 179.885 177.584 0.011 0.000 1.181 244 A CA 1.845 53.875 52.037 -0.012 0.000 0.623 244 A CB -0.633 18.376 19.000 0.015 0.000 0.818 244 A HN 0.285 nan 8.150 nan 0.000 0.443 245 R N -0.631 119.871 120.500 0.003 0.000 2.070 245 R HA -0.125 4.220 4.340 0.008 0.000 0.233 245 R C 2.465 178.768 176.300 0.005 0.000 1.137 245 R CA 1.519 57.621 56.100 0.004 0.000 0.945 245 R CB -0.374 29.924 30.300 -0.002 0.000 0.845 245 R HN 0.490 nan 8.270 nan 0.000 0.430 246 R N 0.557 121.054 120.500 -0.006 0.000 2.094 246 R HA -0.187 4.158 4.340 0.008 0.000 0.239 246 R C 2.306 178.605 176.300 -0.002 0.000 1.137 246 R CA 2.216 58.312 56.100 -0.007 0.000 0.943 246 R CB -0.212 30.077 30.300 -0.018 0.000 0.850 246 R HN 0.310 nan 8.270 nan 0.000 0.433 247 R N -0.371 120.113 120.500 -0.025 0.000 2.091 247 R HA -0.112 4.232 4.340 0.008 0.000 0.238 247 R C 2.352 178.721 176.300 0.115 0.000 1.136 247 R CA 1.476 57.549 56.100 -0.045 0.000 0.959 247 R CB -0.382 29.759 30.300 -0.266 0.000 0.856 247 R HN 0.289 nan 8.270 nan 0.000 0.437 248 A N 0.315 123.232 122.820 0.163 0.000 1.898 248 A HA -0.177 4.148 4.320 0.008 0.000 0.216 248 A C 2.257 179.881 177.584 0.067 0.000 1.181 248 A CA 2.021 54.167 52.037 0.182 0.000 0.620 248 A CB -0.785 18.259 19.000 0.073 0.000 0.819 248 A HN 0.420 nan 8.150 nan 0.000 0.442 249 T N -1.510 113.066 114.554 0.037 0.000 2.942 249 T HA -0.058 4.297 4.350 0.008 0.000 0.265 249 T C 1.779 176.493 174.700 0.024 0.000 1.062 249 T CA 1.414 63.522 62.100 0.013 0.000 1.139 249 T CB -0.356 68.513 68.868 0.002 0.000 0.883 249 T HN 0.210 nan 8.240 nan 0.000 0.468 250 L N 0.978 122.226 121.223 0.042 0.000 2.005 250 L HA 0.222 4.567 4.340 0.008 0.000 0.207 250 L C 2.342 179.256 176.870 0.073 0.000 1.072 250 L CA 1.782 56.651 54.840 0.050 0.000 0.744 250 L CB -1.201 40.888 42.059 0.050 0.000 0.895 250 L HN 0.396 nan 8.230 nan 0.000 0.433 251 L N 0.029 121.334 121.223 0.136 0.000 2.021 251 L HA -0.242 4.103 4.340 0.008 0.000 0.215 251 L C 2.527 179.421 176.870 0.039 0.000 1.074 251 L CA 2.305 57.235 54.840 0.149 0.000 0.760 251 L CB -0.880 41.327 42.059 0.247 0.000 0.889 251 L HN 0.339 nan 8.230 nan 0.000 0.433 252 A N -0.284 122.544 122.820 0.014 0.000 1.892 252 A HA -0.286 4.039 4.320 0.008 0.000 0.218 252 A C 2.385 179.954 177.584 -0.024 0.000 1.188 252 A CA 2.239 54.265 52.037 -0.019 0.000 0.631 252 A CB -0.696 18.288 19.000 -0.026 0.000 0.822 252 A HN 0.567 nan 8.150 nan 0.000 0.447 253 R N -0.683 119.809 120.500 -0.014 0.000 2.073 253 R HA -0.061 4.284 4.340 0.008 0.000 0.234 253 R C 2.055 178.323 176.300 -0.054 0.000 1.134 253 R CA 1.481 57.568 56.100 -0.022 0.000 0.952 253 R CB -0.642 29.653 30.300 -0.008 0.000 0.850 253 R HN 0.534 nan 8.270 nan 0.000 0.433 254 L N 1.107 122.288 121.223 -0.070 0.000 2.349 254 L HA -0.106 4.239 4.340 0.008 0.000 0.220 254 L C 1.926 178.556 176.870 -0.400 0.000 1.130 254 L CA 0.813 55.546 54.840 -0.179 0.000 0.791 254 L CB -0.216 41.785 42.059 -0.097 0.000 0.918 254 L HN 0.175 nan 8.230 nan 0.000 0.444 255 V N -4.559 115.213 119.914 -0.237 0.000 3.319 255 V HA 0.545 4.669 4.120 0.008 0.000 0.317 255 V C 1.062 177.115 176.094 -0.068 0.000 1.411 255 V CA 0.237 62.433 62.300 -0.173 0.000 1.112 255 V CB 0.070 31.845 31.823 -0.079 0.000 1.031 255 V HN 0.378 nan 8.190 nan 0.000 0.448 256 G N -0.455 108.310 108.800 -0.058 0.000 2.131 256 G HA2 -0.212 3.753 3.960 0.008 0.000 0.223 256 G HA3 -0.212 3.753 3.960 0.008 0.000 0.223 256 G C 0.051 174.945 174.900 -0.011 0.000 0.990 256 G CA 0.022 45.107 45.100 -0.024 0.000 0.671 256 G HN 0.733 nan 8.290 nan 0.000 0.521 266 D N 1.174 121.573 120.400 -0.001 0.000 2.183 266 D HA -0.047 4.598 4.640 0.008 0.000 0.203 266 D C 1.418 177.718 176.300 -0.000 0.000 0.969 266 D CA 1.436 55.432 54.000 -0.007 0.000 0.842 266 D CB 0.254 41.049 40.800 -0.008 0.000 0.957 266 D HN 0.555 nan 8.370 nan 0.000 0.484 267 T N 1.103 115.662 114.554 0.009 0.000 2.684 267 T HA -0.149 4.206 4.350 0.008 0.000 0.267 267 T C 1.808 176.521 174.700 0.021 0.000 1.036 267 T CA 1.112 63.224 62.100 0.019 0.000 1.148 267 T CB -0.133 68.747 68.868 0.020 0.000 0.863 267 T HN 0.274 nan 8.240 nan 0.000 0.436 268 E N 0.521 120.730 120.200 0.015 0.000 2.031 268 E HA -0.083 4.272 4.350 0.008 0.000 0.193 268 E C 2.279 178.887 176.600 0.014 0.000 0.994 268 E CA 0.871 57.280 56.400 0.015 0.000 0.800 268 E CB -0.328 29.378 29.700 0.011 0.000 0.752 268 E HN 0.327 nan 8.360 nan 0.000 0.447 269 L N 1.058 122.283 121.223 0.004 0.000 1.990 269 L HA -0.252 4.092 4.340 0.008 0.000 0.213 269 L C 2.329 179.196 176.870 -0.004 0.000 1.072 269 L CA 1.499 56.335 54.840 -0.007 0.000 0.755 269 L CB -0.179 41.867 42.059 -0.022 0.000 0.889 269 L HN 0.129 nan 8.230 nan 0.000 0.432 270 I N -0.542 120.026 120.570 -0.003 0.000 2.202 270 I HA -0.268 3.907 4.170 0.008 0.000 0.242 270 I C 2.731 178.911 176.117 0.105 0.000 1.091 270 I CA 1.061 62.376 61.300 0.025 0.000 1.368 270 I CB -0.652 37.364 38.000 0.027 0.000 1.058 270 I HN 0.338 nan 8.210 nan 0.000 0.410 271 A N -0.114 122.751 122.820 0.074 0.000 1.917 271 A HA -0.324 4.000 4.320 0.008 0.000 0.219 271 A C 2.544 180.171 177.584 0.072 0.000 1.182 271 A CA 2.189 54.269 52.037 0.072 0.000 0.633 271 A CB -1.412 17.616 19.000 0.047 0.000 0.819 271 A HN 0.643 nan 8.150 nan 0.000 0.448 272 c N -0.683 117.951 118.600 0.057 0.000 2.446 272 c HA 0.036 4.611 4.570 0.008 0.000 0.277 272 c C 2.584 176.718 174.090 0.073 0.000 1.275 272 c CA 1.022 57.381 56.329 0.050 0.000 1.727 272 c CB -1.559 40.968 42.510 0.029 0.000 2.010 272 c HN 0.591 nan 8.230 nan 0.000 0.486 273 L N 0.317 121.600 121.223 0.101 0.000 2.127 273 L HA -0.128 4.216 4.340 0.008 0.000 0.211 273 L C 2.941 179.957 176.870 0.243 0.000 1.089 273 L CA 1.460 56.404 54.840 0.173 0.000 0.757 273 L CB -0.615 41.546 42.059 0.170 0.000 0.899 273 L HN 0.377 nan 8.230 nan 0.000 0.434 274 R N -0.661 119.969 120.500 0.216 0.000 2.193 274 R HA -0.082 4.263 4.340 0.008 0.000 0.213 274 R C 2.133 178.459 176.300 0.042 0.000 1.055 274 R CA 1.537 57.695 56.100 0.097 0.000 0.995 274 R CB -0.216 30.133 30.300 0.081 0.000 0.893 274 R HN 0.465 nan 8.270 nan 0.000 0.459 275 T N -1.469 113.118 114.554 0.054 0.000 3.148 275 T HA 0.118 4.473 4.350 0.008 0.000 0.253 275 T C 0.813 175.533 174.700 0.033 0.000 1.134 275 T CA -0.045 62.075 62.100 0.034 0.000 1.051 275 T CB 0.130 69.017 68.868 0.033 0.000 0.959 275 T HN -0.175 nan 8.240 nan 0.000 0.525 276 R N 2.553 123.081 120.500 0.046 0.000 2.357 276 R HA 0.443 4.788 4.340 0.008 0.000 0.296 276 R C -2.794 173.524 176.300 0.031 0.000 1.052 276 R CA -2.953 53.174 56.100 0.045 0.000 0.988 276 R CB 0.111 30.447 30.300 0.060 0.000 1.025 276 R HN 0.210 nan 8.270 nan 0.000 0.469 277 P HA -0.024 nan 4.420 nan 0.000 0.262 277 P C 0.304 177.588 177.300 -0.028 0.000 1.182 277 P CA 0.293 63.389 63.100 -0.007 0.000 0.761 277 P CB 0.594 32.303 31.700 0.015 0.000 0.795 278 A N 3.469 126.207 122.820 -0.137 0.000 1.958 278 A HA -0.303 4.022 4.320 0.008 0.000 0.221 278 A C 2.153 179.613 177.584 -0.207 0.000 1.178 278 A CA 2.061 53.963 52.037 -0.224 0.000 0.642 278 A CB -1.120 17.332 19.000 -0.913 0.000 0.816 278 A HN 0.548 nan 8.150 nan 0.000 0.453 279 Q N -0.171 119.501 119.800 -0.213 0.000 2.167 279 Q HA -0.139 4.206 4.340 0.008 0.000 0.202 279 Q C 1.306 177.378 176.000 0.121 0.000 0.970 279 Q CA 1.841 57.672 55.803 0.047 0.000 0.855 279 Q CB -0.303 28.518 28.738 0.139 0.000 0.911 279 Q HN 0.633 nan 8.270 nan 0.000 0.438 280 D N -0.345 120.119 120.400 0.107 0.000 2.149 280 D HA -0.159 4.486 4.640 0.008 0.000 0.198 280 D C 1.685 178.123 176.300 0.231 0.000 0.990 280 D CA 1.096 55.205 54.000 0.181 0.000 0.839 280 D CB -0.116 40.776 40.800 0.154 0.000 0.948 280 D HN 0.315 nan 8.370 nan 0.000 0.460 281 L N 0.010 121.312 121.223 0.131 0.000 2.027 281 L HA -0.115 4.230 4.340 0.008 0.000 0.206 281 L C 2.491 179.415 176.870 0.090 0.000 1.074 281 L CA 0.605 55.477 54.840 0.053 0.000 0.745 281 L CB -0.583 41.383 42.059 -0.155 0.000 0.898 281 L HN -0.036 nan 8.230 nan 0.000 0.433 282 V N 0.039 120.056 119.914 0.173 0.000 2.332 282 V HA -0.293 3.832 4.120 0.008 0.000 0.248 282 V C 2.018 178.237 176.094 0.208 0.000 1.055 282 V CA 1.940 64.401 62.300 0.268 0.000 1.038 282 V CB -0.589 31.489 31.823 0.426 0.000 0.651 282 V HN 0.424 nan 8.190 nan 0.000 0.450 283 D N -1.011 119.470 120.400 0.135 0.000 2.263 283 D HA -0.129 4.516 4.640 0.008 0.000 0.208 283 D C 1.770 177.872 176.300 -0.329 0.000 0.971 283 D CA 1.334 55.311 54.000 -0.038 0.000 0.867 283 D CB -0.174 40.561 40.800 -0.109 0.000 0.929 283 D HN 0.654 nan 8.370 nan 0.000 0.492 284 H N -1.103 117.965 119.070 -0.003 0.000 2.986 284 H HA 0.112 4.672 4.556 0.008 0.000 0.267 284 H C 1.672 176.971 175.328 -0.048 0.000 1.072 284 H CA 0.184 56.177 56.048 -0.091 0.000 1.202 284 H CB 0.509 30.335 29.762 0.106 0.000 1.535 284 H HN 0.209 nan 8.280 nan 0.000 0.522 285 E N 0.362 120.650 120.200 0.148 0.000 2.118 285 E HA -0.243 4.112 4.350 0.008 0.000 0.195 285 E C 1.367 178.159 176.600 0.319 0.000 0.992 285 E CA 1.021 57.620 56.400 0.332 0.000 0.804 285 E CB -0.330 29.551 29.700 0.302 0.000 0.741 285 E HN 0.422 nan 8.360 nan 0.000 0.458 286 W N 1.858 123.085 121.300 -0.122 0.000 2.595 286 W HA -0.040 4.624 4.660 0.008 0.000 0.257 286 W C 1.128 177.649 176.519 0.003 0.000 1.267 286 W CA 0.824 58.078 57.345 -0.152 0.000 1.300 286 W CB -0.227 29.039 29.460 -0.323 0.000 1.120 286 W HN 0.255 nan 8.180 nan 0.000 0.618 287 H N -0.535 118.657 119.070 0.204 0.000 2.563 287 H HA 0.000 4.561 4.556 0.008 0.000 0.272 287 H C 1.995 177.368 175.328 0.075 0.000 1.005 287 H CA 1.350 57.453 56.048 0.091 0.000 1.171 287 H CB -1.020 28.826 29.762 0.141 0.000 1.351 287 H HN 0.198 nan 8.280 nan 0.000 0.602 288 V N -2.601 117.429 119.914 0.194 0.000 3.578 288 V HA 0.216 4.341 4.120 0.008 0.000 0.290 288 V C 0.813 176.913 176.094 0.009 0.000 1.376 288 V CA -0.197 62.154 62.300 0.084 0.000 1.083 288 V CB -0.253 31.601 31.823 0.052 0.000 0.911 288 V HN -0.001 nan 8.190 nan 0.000 0.433 289 L N 2.626 123.870 121.223 0.036 0.000 2.490 289 L HA 0.224 4.568 4.340 0.008 0.000 0.274 289 L C -0.442 176.425 176.870 -0.005 0.000 1.201 289 L CA -0.866 53.980 54.840 0.010 0.000 0.869 289 L CB 0.883 42.976 42.059 0.057 0.000 1.123 289 L HN 0.170 nan 8.230 nan 0.000 0.484 290 P HA -0.057 nan 4.420 nan 0.000 0.229 290 P C -0.331 176.959 177.300 -0.016 0.000 1.160 290 P CA 0.897 63.987 63.100 -0.018 0.000 0.777 290 P CB 0.543 32.230 31.700 -0.022 0.000 0.814 291 Q N -1.043 118.749 119.800 -0.014 0.000 2.456 291 Q HA 0.313 4.658 4.340 0.008 0.000 0.284 291 Q C -0.759 175.230 176.000 -0.018 0.000 1.061 291 Q CA -0.725 55.069 55.803 -0.016 0.000 0.799 291 Q CB 1.385 30.116 28.738 -0.011 0.000 1.445 291 Q HN -0.086 nan 8.270 nan 0.000 0.411 292 E N 0.898 121.083 120.200 -0.026 0.000 2.729 292 E HA 0.126 4.480 4.350 0.008 0.000 0.246 292 E C -0.903 175.693 176.600 -0.005 0.000 0.984 292 E CA 0.521 56.904 56.400 -0.028 0.000 0.951 292 E CB 0.254 29.938 29.700 -0.026 0.000 0.914 292 E HN 0.503 nan 8.360 nan 0.000 0.509 293 S N 3.668 119.376 115.700 0.012 0.000 2.627 293 S HA 0.668 5.142 4.470 0.008 0.000 0.283 293 S C -0.420 174.214 174.600 0.058 0.000 1.127 293 S CA -0.945 57.269 58.200 0.023 0.000 0.863 293 S CB 1.204 64.408 63.200 0.006 0.000 1.121 293 S HN 0.563 nan 8.310 nan 0.000 0.479 294 I N -2.405 118.189 120.570 0.040 0.000 3.042 294 I HA 0.710 4.885 4.170 0.008 0.000 0.310 294 I C -0.413 175.678 176.117 -0.043 0.000 1.117 294 I CA -1.154 60.185 61.300 0.064 0.000 1.003 294 I CB 0.926 39.008 38.000 0.135 0.000 1.228 294 I HN 0.587 nan 8.210 nan 0.000 0.443 295 F N 1.642 121.380 119.950 -0.352 0.000 3.079 295 F HA -0.193 4.339 4.527 0.008 0.000 0.274 295 F C -0.262 174.943 175.800 -0.991 0.000 0.940 295 F CA 0.700 58.198 58.000 -0.837 0.000 0.932 295 F CB -0.645 37.761 39.000 -0.989 0.000 0.891 295 F HN 0.564 nan 8.300 nan 0.000 0.722 296 R N 0.333 120.342 120.500 -0.819 0.000 2.686 296 R HA 0.645 4.990 4.340 0.008 0.000 0.283 296 R C -0.989 174.801 176.300 -0.851 0.000 0.978 296 R CA -0.578 55.102 56.100 -0.700 0.000 0.897 296 R CB 1.497 31.668 30.300 -0.216 0.000 1.192 296 R HN 0.002 nan 8.270 nan 0.000 0.457 297 F N -0.809 119.226 119.950 0.142 0.000 2.551 297 F HA 0.358 4.889 4.527 0.007 0.000 0.316 297 F C 1.480 177.296 175.800 0.027 0.000 1.089 297 F CA -0.813 57.240 58.000 0.088 0.000 0.915 297 F CB 1.895 41.039 39.000 0.240 0.000 1.186 297 F HN 0.348 nan 8.300 nan 0.000 0.456 298 S N 0.793 116.569 115.700 0.126 0.000 2.355 298 S HA 0.006 4.481 4.470 0.008 0.000 0.222 298 S C 0.031 174.344 174.600 -0.479 0.000 1.031 298 S CA 1.181 59.260 58.200 -0.201 0.000 0.993 298 S CB -0.194 62.909 63.200 -0.161 0.000 0.859 298 S HN 0.372 nan 8.310 nan 0.000 0.453 299 F N 1.546 121.610 119.950 0.191 0.000 2.366 299 F HA 0.534 5.066 4.527 0.008 0.000 0.366 299 F C -0.054 175.813 175.800 0.111 0.000 1.096 299 F CA -0.903 57.208 58.000 0.185 0.000 1.060 299 F CB 1.212 40.352 39.000 0.234 0.000 1.282 299 F HN -0.104 nan 8.300 nan 0.000 0.450 300 V N 0.660 120.563 119.914 -0.019 0.000 3.158 300 V HA 0.759 4.884 4.120 0.008 0.000 0.311 300 V C -2.887 172.838 176.094 -0.615 0.000 1.181 300 V CA -3.408 58.517 62.300 -0.625 0.000 1.054 300 V CB 1.963 33.583 31.823 -0.339 0.000 1.085 300 V HN 0.247 nan 8.190 nan 0.000 0.446 301 P HA 0.142 nan 4.420 nan 0.000 0.264 301 P C -0.737 176.423 177.300 -0.233 0.000 1.179 301 P CA 0.463 63.291 63.100 -0.454 0.000 0.763 301 P CB 0.550 31.894 31.700 -0.592 0.000 0.806 302 V N 4.792 124.650 119.914 -0.094 0.000 2.581 302 V HA 0.233 4.358 4.120 0.008 0.000 0.303 302 V C -0.350 175.725 176.094 -0.031 0.000 1.041 302 V CA -0.901 61.370 62.300 -0.049 0.000 0.907 302 V CB 2.074 33.900 31.823 0.006 0.000 0.994 302 V HN 0.139 nan 8.190 nan 0.000 0.442 303 V N 7.456 127.352 119.914 -0.031 0.000 2.359 303 V HA 0.153 4.277 4.120 0.008 0.000 0.248 303 V C 0.861 176.962 176.094 0.012 0.000 1.091 303 V CA 0.383 62.679 62.300 -0.007 0.000 1.103 303 V CB 0.035 31.846 31.823 -0.020 0.000 1.176 303 V HN 1.056 nan 8.190 nan 0.000 0.488 304 D N 2.755 123.178 120.400 0.038 0.000 2.367 304 D HA 0.112 4.756 4.640 0.008 0.000 0.207 304 D C 1.543 177.868 176.300 0.042 0.000 1.034 304 D CA 0.718 54.745 54.000 0.045 0.000 0.861 304 D CB 0.329 41.170 40.800 0.069 0.000 0.943 304 D HN 0.699 nan 8.370 nan 0.000 0.515 305 G N 0.694 109.519 108.800 0.041 0.000 2.143 305 G HA2 -0.305 3.660 3.960 0.008 0.000 0.248 305 G HA3 -0.305 3.660 3.960 0.008 0.000 0.248 305 G C 0.261 175.183 174.900 0.037 0.000 0.991 305 G CA 0.745 45.863 45.100 0.031 0.000 0.689 305 G HN 0.556 nan 8.290 nan 0.000 0.522 306 D N -1.840 118.598 120.400 0.063 0.000 2.979 306 D HA 0.247 4.891 4.640 0.008 0.000 0.184 306 D C 1.675 178.026 176.300 0.085 0.000 1.417 306 D CA 0.362 54.403 54.000 0.068 0.000 1.527 306 D CB -0.699 40.154 40.800 0.088 0.000 1.199 306 D HN 0.055 nan 8.370 nan 0.000 0.198 307 F N 1.218 121.179 119.950 0.017 0.000 2.063 307 F HA 0.081 4.613 4.527 0.007 0.000 0.298 307 F C 0.593 176.394 175.800 0.003 0.000 1.109 307 F CA 1.403 59.413 58.000 0.016 0.000 1.212 307 F CB 0.085 39.093 39.000 0.014 0.000 0.973 307 F HN 0.016 nan 8.300 nan 0.000 0.480 308 L N 0.655 122.035 121.223 0.261 0.000 2.295 308 L HA 0.200 4.544 4.340 0.008 0.000 0.281 308 L C 1.286 178.196 176.870 0.067 0.000 1.018 308 L CA -0.194 54.730 54.840 0.141 0.000 0.841 308 L CB 1.389 43.523 42.059 0.126 0.000 1.218 308 L HN 0.056 nan 8.230 nan 0.000 0.424 309 S N 0.190 115.908 115.700 0.031 0.000 2.481 309 S HA 0.007 4.482 4.470 0.008 0.000 0.231 309 S C 0.433 175.039 174.600 0.011 0.000 0.996 309 S CA 0.363 58.572 58.200 0.014 0.000 0.942 309 S CB 0.121 63.319 63.200 -0.003 0.000 0.768 309 S HN 0.710 nan 8.310 nan 0.000 0.520 310 D N 0.254 120.662 120.400 0.013 0.000 2.692 310 D HA 0.268 4.913 4.640 0.008 0.000 0.303 310 D C -0.941 175.361 176.300 0.003 0.000 1.278 310 D CA -0.065 53.938 54.000 0.005 0.000 0.852 310 D CB 1.378 42.179 40.800 0.002 0.000 1.375 310 D HN 0.195 nan 8.370 nan 0.000 0.453 311 T N -0.674 113.874 114.554 -0.010 0.000 2.932 311 T HA 0.232 4.587 4.350 0.008 0.000 0.312 311 T C -1.791 172.898 174.700 -0.019 0.000 1.071 311 T CA -0.690 61.395 62.100 -0.024 0.000 1.128 311 T CB 0.961 69.808 68.868 -0.034 0.000 0.984 311 T HN 0.116 nan 8.240 nan 0.000 0.549 312 P HA -0.172 nan 4.420 nan 0.000 0.216 312 P C 1.573 178.858 177.300 -0.025 0.000 1.154 312 P CA 1.167 64.245 63.100 -0.036 0.000 0.865 312 P CB 0.058 31.704 31.700 -0.090 0.000 0.789 313 E N -0.523 119.652 120.200 -0.042 0.000 2.070 313 E HA -0.260 4.095 4.350 0.008 0.000 0.197 313 E C 1.881 178.481 176.600 0.001 0.000 1.004 313 E CA 1.688 58.071 56.400 -0.028 0.000 0.805 313 E CB -0.471 29.205 29.700 -0.039 0.000 0.744 313 E HN 0.110 nan 8.360 nan 0.000 0.451 314 A N 0.746 123.567 122.820 0.001 0.000 1.929 314 A HA -0.082 4.243 4.320 0.008 0.000 0.216 314 A C 2.240 179.844 177.584 0.033 0.000 1.176 314 A CA 0.816 52.860 52.037 0.011 0.000 0.628 314 A CB -0.462 18.539 19.000 0.001 0.000 0.816 314 A HN 0.258 nan 8.150 nan 0.000 0.444 315 L N 0.002 121.253 121.223 0.046 0.000 2.056 315 L HA -0.133 4.212 4.340 0.008 0.000 0.207 315 L C 2.601 179.584 176.870 0.189 0.000 1.078 315 L CA 1.522 56.413 54.840 0.086 0.000 0.749 315 L CB -0.677 41.433 42.059 0.086 0.000 0.901 315 L HN 0.658 nan 8.230 nan 0.000 0.433 316 I N -2.541 118.136 120.570 0.178 0.000 2.394 316 I HA -0.174 4.000 4.170 0.008 0.000 0.251 316 I C 2.007 178.266 176.117 0.237 0.000 1.136 316 I CA 1.420 62.866 61.300 0.243 0.000 1.425 316 I CB -0.468 37.559 38.000 0.046 0.000 1.079 316 I HN 0.175 nan 8.210 nan 0.000 0.425 317 N N 1.258 120.033 118.700 0.124 0.000 2.270 317 N HA -0.102 4.643 4.740 0.008 0.000 0.181 317 N C 1.761 177.318 175.510 0.077 0.000 1.016 317 N CA 2.085 55.188 53.050 0.088 0.000 0.870 317 N CB -0.352 38.163 38.487 0.046 0.000 0.979 317 N HN 0.699 nan 8.380 nan 0.000 0.431 318 T N -3.917 110.672 114.554 0.058 0.000 3.044 318 T HA 0.332 4.686 4.350 0.008 0.000 0.260 318 T C 0.908 175.564 174.700 -0.073 0.000 1.019 318 T CA -0.439 61.661 62.100 -0.000 0.000 0.921 318 T CB 0.134 68.994 68.868 -0.012 0.000 1.053 318 T HN 0.047 nan 8.240 nan 0.000 0.533 319 G N 0.813 109.550 108.800 -0.106 0.000 2.503 319 G HA2 0.417 4.382 3.960 0.008 0.000 0.257 319 G HA3 0.417 4.382 3.960 0.008 0.000 0.257 319 G C -1.064 173.395 174.900 -0.734 0.000 1.214 319 G CA -0.379 44.402 45.100 -0.532 0.000 0.839 319 G HN 0.245 nan 8.290 nan 0.000 0.559 320 D N 0.640 120.589 120.400 -0.751 0.000 2.317 320 D HA 0.324 4.969 4.640 0.008 0.000 0.234 320 D C -0.468 175.429 176.300 -0.671 0.000 1.112 320 D CA -0.588 53.112 54.000 -0.500 0.000 0.840 320 D CB 0.824 41.465 40.800 -0.264 0.000 1.078 320 D HN 0.112 nan 8.370 nan 0.000 0.486 321 F N 2.052 122.005 119.950 0.005 0.000 2.805 321 F HA 0.217 4.749 4.527 0.008 0.000 0.317 321 F C 2.015 177.821 175.800 0.011 0.000 1.146 321 F CA -0.390 57.617 58.000 0.011 0.000 1.265 321 F CB 0.233 39.249 39.000 0.026 0.000 0.992 321 F HN 0.320 nan 8.300 nan 0.000 0.511 322 Q N 0.330 120.184 119.800 0.091 0.000 2.077 322 Q HA -0.254 4.091 4.340 0.008 0.000 0.206 322 Q C 0.731 176.768 176.000 0.062 0.000 0.989 322 Q CA 1.968 57.809 55.803 0.062 0.000 0.853 322 Q CB -0.174 28.574 28.738 0.016 0.000 0.907 322 Q HN 0.366 nan 8.270 nan 0.000 0.418 323 D N -0.349 120.079 120.400 0.047 0.000 2.538 323 D HA 0.165 4.810 4.640 0.008 0.000 0.234 323 D C -1.275 175.053 176.300 0.047 0.000 1.191 323 D CA -0.078 53.941 54.000 0.031 0.000 0.828 323 D CB 0.236 41.036 40.800 -0.001 0.000 0.981 323 D HN -0.085 nan 8.370 nan 0.000 0.490 324 L N 0.825 122.103 121.223 0.091 0.000 2.410 324 L HA 0.490 4.834 4.340 0.008 0.000 0.270 324 L C -1.474 175.476 176.870 0.133 0.000 0.983 324 L CA -0.548 54.362 54.840 0.117 0.000 0.822 324 L CB 1.939 44.100 42.059 0.170 0.000 1.285 324 L HN -0.180 nan 8.230 nan 0.000 0.409 325 Q N 3.200 123.094 119.800 0.157 0.000 2.316 325 Q HA 0.787 5.132 4.340 0.008 0.000 0.264 325 Q C -1.389 174.869 176.000 0.429 0.000 0.987 325 Q CA -0.468 55.485 55.803 0.249 0.000 0.852 325 Q CB 2.664 31.503 28.738 0.168 0.000 1.287 325 Q HN 0.481 nan 8.270 nan 0.000 0.448 326 V N 2.605 122.745 119.914 0.378 0.000 2.709 326 V HA 0.494 4.618 4.120 0.008 0.000 0.308 326 V C -1.449 174.611 176.094 -0.056 0.000 1.062 326 V CA -0.881 61.548 62.300 0.214 0.000 0.901 326 V CB 2.051 33.915 31.823 0.068 0.000 1.003 326 V HN 0.621 nan 8.190 nan 0.000 0.425 327 L N 6.971 127.936 121.223 -0.429 0.000 2.305 327 L HA 0.881 5.226 4.340 0.008 0.000 0.284 327 L C -0.499 176.248 176.870 -0.204 0.000 1.013 327 L CA -0.128 54.368 54.840 -0.573 0.000 0.819 327 L CB 1.626 42.873 42.059 -1.352 0.000 1.227 327 L HN 0.590 nan 8.230 nan 0.000 0.417 328 V N 2.175 122.040 119.914 -0.082 0.000 2.962 328 V HA 1.129 5.254 4.120 0.008 0.000 0.313 328 V C -0.160 175.754 176.094 -0.299 0.000 1.099 328 V CA 0.230 62.472 62.300 -0.097 0.000 0.971 328 V CB 1.159 32.892 31.823 -0.150 0.000 1.028 328 V HN 1.059 nan 8.190 nan 0.000 0.430 329 G N 1.067 109.544 108.800 -0.539 0.000 2.488 329 G HA2 0.789 4.754 3.960 0.008 0.000 0.301 329 G HA3 0.789 4.754 3.960 0.008 0.000 0.301 329 G C -1.185 173.384 174.900 -0.553 0.000 1.339 329 G CA 0.042 44.411 45.100 -1.217 0.000 0.803 329 G HN 2.059 nan 8.290 nan 0.000 0.482 330 V N -2.366 117.341 119.914 -0.345 0.000 3.159 330 V HA 0.913 5.038 4.120 0.008 0.000 0.308 330 V C 0.296 176.570 176.094 0.299 0.000 1.190 330 V CA -0.486 61.850 62.300 0.061 0.000 1.037 330 V CB 1.095 32.938 31.823 0.033 0.000 1.060 330 V HN 1.749 nan 8.190 nan 0.000 0.437 331 V N -0.459 119.659 119.914 0.341 0.000 3.109 331 V HA 0.552 4.677 4.120 0.008 0.000 0.317 331 V C 1.483 177.771 176.094 0.323 0.000 1.074 331 V CA -0.012 62.541 62.300 0.422 0.000 1.033 331 V CB 1.132 33.199 31.823 0.407 0.000 1.111 331 V HN 1.071 nan 8.190 nan 0.000 0.458 332 K N 0.085 120.672 120.400 0.312 0.000 2.103 332 K HA -0.128 4.197 4.320 0.008 0.000 0.207 332 K C -0.035 176.690 176.600 0.210 0.000 1.048 332 K CA 2.197 58.622 56.287 0.229 0.000 0.930 332 K CB -0.045 32.567 32.500 0.187 0.000 0.716 332 K HN 0.965 nan 8.250 nan 0.000 0.444 333 D N 0.392 120.926 120.400 0.223 0.000 2.513 333 D HA 0.067 4.712 4.640 0.008 0.000 0.295 333 D C 0.011 176.452 176.300 0.234 0.000 1.202 333 D CA -0.221 53.901 54.000 0.204 0.000 0.849 333 D CB 1.375 42.274 40.800 0.165 0.000 1.116 333 D HN 0.022 nan 8.370 nan 0.000 0.502 334 E N 0.579 120.927 120.200 0.247 0.000 2.110 334 E HA -0.118 4.237 4.350 0.008 0.000 0.193 334 E C 2.108 178.893 176.600 0.308 0.000 0.988 334 E CA 0.894 57.474 56.400 0.301 0.000 0.804 334 E CB 0.021 29.864 29.700 0.239 0.000 0.745 334 E HN 0.531 nan 8.360 nan 0.000 0.458 335 G N 1.022 109.966 108.800 0.240 0.000 2.494 335 G HA2 -0.176 3.789 3.960 0.008 0.000 0.216 335 G HA3 -0.176 3.789 3.960 0.008 0.000 0.216 335 G C 1.747 176.824 174.900 0.295 0.000 1.140 335 G CA 0.864 46.115 45.100 0.251 0.000 0.801 335 G HN 0.373 nan 8.290 nan 0.000 0.536 336 S N 0.076 115.910 115.700 0.224 0.000 2.368 336 S HA -0.228 4.247 4.470 0.008 0.000 0.225 336 S C 2.127 176.744 174.600 0.028 0.000 1.030 336 S CA 1.315 59.606 58.200 0.152 0.000 0.999 336 S CB -0.793 62.426 63.200 0.031 0.000 0.844 336 S HN 0.378 nan 8.310 nan 0.000 0.459 337 Y N 1.843 122.024 120.300 -0.198 0.000 2.139 337 Y HA -0.204 4.351 4.550 0.008 0.000 0.282 337 Y C 1.747 177.460 175.900 -0.311 0.000 1.179 337 Y CA 1.859 59.688 58.100 -0.452 0.000 1.161 337 Y CB -0.606 37.497 38.460 -0.595 0.000 0.970 337 Y HN 0.309 nan 8.280 nan 0.000 0.511 338 F N -1.110 118.874 119.950 0.057 0.000 2.456 338 F HA -0.094 4.438 4.527 0.007 0.000 0.298 338 F C 1.986 177.819 175.800 0.055 0.000 1.104 338 F CA 0.613 58.632 58.000 0.033 0.000 1.435 338 F CB -0.436 38.530 39.000 -0.057 0.000 1.078 338 F HN -0.003 nan 8.300 nan 0.000 0.546 339 L N -0.064 121.239 121.223 0.133 0.000 2.056 339 L HA -0.140 4.205 4.340 0.008 0.000 0.207 339 L C 2.440 179.381 176.870 0.118 0.000 1.078 339 L CA 1.183 55.985 54.840 -0.063 0.000 0.749 339 L CB -0.941 40.867 42.059 -0.419 0.000 0.901 339 L HN 0.167 nan 8.230 nan 0.000 0.433 340 V N -4.516 115.521 119.914 0.206 0.000 3.444 340 V HA -0.174 3.951 4.120 0.008 0.000 0.271 340 V C 1.366 177.490 176.094 0.051 0.000 1.188 340 V CA 1.024 63.458 62.300 0.224 0.000 1.168 340 V CB -1.079 30.886 31.823 0.238 0.000 0.810 340 V HN 0.343 nan 8.190 nan 0.000 0.500 341 Y N 0.858 121.218 120.300 0.100 0.000 2.467 341 Y HA 0.641 5.196 4.550 0.008 0.000 0.250 341 Y C 1.929 177.915 175.900 0.144 0.000 1.155 341 Y CA 0.421 58.589 58.100 0.114 0.000 1.249 341 Y CB 1.264 39.783 38.460 0.099 0.000 1.146 341 Y HN 0.386 nan 8.280 nan 0.000 0.524 342 G N -1.313 107.628 108.800 0.234 0.000 4.275 342 G HA2 0.061 4.025 3.960 0.008 0.000 0.153 342 G HA3 0.061 4.025 3.960 0.008 0.000 0.153 342 G C -0.835 174.142 174.900 0.129 0.000 0.977 342 G CA -0.201 45.002 45.100 0.172 0.000 0.809 342 G HN -0.093 nan 8.290 nan 0.000 0.528 343 V N 3.152 123.154 119.914 0.147 0.000 2.348 343 V HA 0.381 4.506 4.120 0.008 0.000 0.270 343 V C -2.107 174.168 176.094 0.302 0.000 1.037 343 V CA -1.706 60.700 62.300 0.176 0.000 0.872 343 V CB 1.270 33.127 31.823 0.057 0.000 1.002 343 V HN 0.018 nan 8.190 nan 0.000 0.464 344 P HA 0.228 nan 4.420 nan 0.000 0.264 344 P C 1.030 178.424 177.300 0.156 0.000 1.183 344 P CA 1.291 64.482 63.100 0.151 0.000 0.763 344 P CB 0.639 32.389 31.700 0.084 0.000 0.807 345 G N 1.129 109.956 108.800 0.045 0.000 2.213 345 G HA2 -0.214 3.750 3.960 0.008 0.000 0.226 345 G HA3 -0.214 3.750 3.960 0.008 0.000 0.226 345 G C -0.192 174.506 174.900 -0.337 0.000 0.992 345 G CA -0.598 44.404 45.100 -0.163 0.000 0.632 345 G HN 0.400 nan 8.290 nan 0.000 0.511 346 F N 1.460 121.415 119.950 0.008 0.000 2.436 346 F HA 0.792 5.324 4.527 0.008 0.000 0.340 346 F C 0.560 176.443 175.800 0.137 0.000 1.113 346 F CA -0.265 57.760 58.000 0.041 0.000 1.022 346 F CB 2.328 41.391 39.000 0.105 0.000 1.128 346 F HN 0.103 nan 8.300 nan 0.000 0.466 347 S N 1.556 117.476 115.700 0.367 0.000 2.537 347 S HA 0.250 4.725 4.470 0.008 0.000 0.270 347 S C 0.364 175.230 174.600 0.445 0.000 1.142 347 S CA -0.924 57.484 58.200 0.347 0.000 0.870 347 S CB 1.263 64.578 63.200 0.191 0.000 1.112 347 S HN 0.763 nan 8.310 nan 0.000 0.466 348 K N 1.470 122.027 120.400 0.263 0.000 2.362 348 K HA 0.044 4.368 4.320 0.008 0.000 0.200 348 K C 0.070 176.679 176.600 0.014 0.000 1.046 348 K CA 1.385 57.725 56.287 0.090 0.000 0.952 348 K CB -0.086 32.227 32.500 -0.312 0.000 0.753 348 K HN 0.407 nan 8.250 nan 0.000 0.466 349 D N 0.862 121.265 120.400 0.005 0.000 2.349 349 D HA 0.020 4.664 4.640 0.008 0.000 0.214 349 D C -0.293 176.035 176.300 0.046 0.000 1.063 349 D CA 0.241 54.227 54.000 -0.025 0.000 0.847 349 D CB 0.101 40.868 40.800 -0.055 0.000 0.933 349 D HN 0.493 nan 8.370 nan 0.000 0.513 350 N N -1.112 117.658 118.700 0.116 0.000 2.902 350 N HA 0.085 4.830 4.740 0.008 0.000 0.268 350 N C 0.388 175.964 175.510 0.110 0.000 1.450 350 N CA -0.525 52.570 53.050 0.075 0.000 0.819 350 N CB 0.922 39.410 38.487 0.001 0.000 1.540 350 N HN -0.435 nan 8.380 nan 0.000 0.545 351 E N -0.325 119.863 120.200 -0.019 0.000 2.478 351 E HA -0.005 4.349 4.350 0.008 0.000 0.198 351 E C -0.354 175.899 176.600 -0.577 0.000 1.046 351 E CA 0.427 56.740 56.400 -0.145 0.000 0.870 351 E CB -0.574 29.075 29.700 -0.086 0.000 0.818 351 E HN 0.603 nan 8.360 nan 0.000 0.527 352 S N -0.000 115.389 115.700 -0.518 0.000 3.581 352 S HA -0.201 4.274 4.470 0.008 0.000 0.354 352 S C 0.336 174.478 174.600 -0.764 0.000 1.059 352 S CA 0.206 57.953 58.200 -0.755 0.000 1.060 352 S CB -1.830 60.700 63.200 -1.118 0.000 0.908 352 S HN 0.283 nan 8.310 nan 0.000 0.475 353 L N 1.631 122.567 121.223 -0.478 0.000 2.433 353 L HA 0.406 4.751 4.340 0.008 0.000 0.275 353 L C 0.690 177.348 176.870 -0.354 0.000 1.128 353 L CA -0.079 54.545 54.840 -0.360 0.000 0.875 353 L CB 0.021 41.945 42.059 -0.226 0.000 1.171 353 L HN 0.408 nan 8.230 nan 0.000 0.463 354 I N 0.146 120.503 120.570 -0.355 0.000 2.863 354 I HA 0.655 4.829 4.170 0.008 0.000 0.311 354 I C 0.510 176.543 176.117 -0.140 0.000 1.026 354 I CA -0.622 60.504 61.300 -0.290 0.000 1.077 354 I CB 1.895 39.679 38.000 -0.360 0.000 1.262 354 I HN 0.548 nan 8.210 nan 0.000 0.461 355 S N 2.360 118.012 115.700 -0.080 0.000 2.652 355 S HA 0.374 4.849 4.470 0.008 0.000 0.270 355 S C 0.967 175.587 174.600 0.033 0.000 1.243 355 S CA -0.484 57.698 58.200 -0.029 0.000 0.999 355 S CB 1.555 64.745 63.200 -0.017 0.000 0.973 355 S HN 0.884 nan 8.310 nan 0.000 0.544 356 R N 0.869 121.393 120.500 0.039 0.000 2.103 356 R HA -0.149 4.195 4.340 0.008 0.000 0.242 356 R C 2.310 178.700 176.300 0.150 0.000 1.142 356 R CA 1.851 58.012 56.100 0.102 0.000 0.960 356 R CB -1.185 29.152 30.300 0.061 0.000 0.858 356 R HN 0.851 nan 8.270 nan 0.000 0.439 357 A N 0.370 123.244 122.820 0.090 0.000 1.908 357 A HA -0.228 4.097 4.320 0.008 0.000 0.218 357 A C 2.055 179.690 177.584 0.085 0.000 1.181 357 A CA 1.683 53.767 52.037 0.077 0.000 0.627 357 A CB -0.494 18.534 19.000 0.046 0.000 0.818 357 A HN 0.559 nan 8.150 nan 0.000 0.445 358 Q N -1.985 117.867 119.800 0.088 0.000 2.230 358 Q HA -0.070 4.275 4.340 0.008 0.000 0.202 358 Q C 1.829 177.944 176.000 0.192 0.000 0.963 358 Q CA 1.238 57.104 55.803 0.105 0.000 0.866 358 Q CB -0.247 28.521 28.738 0.049 0.000 0.931 358 Q HN 0.803 nan 8.270 nan 0.000 0.452 359 F N 1.233 121.216 119.950 0.056 0.000 2.075 359 F HA -0.228 4.304 4.527 0.007 0.000 0.297 359 F C 1.733 177.573 175.800 0.066 0.000 1.113 359 F CA 1.181 59.225 58.000 0.074 0.000 1.218 359 F CB 0.070 39.092 39.000 0.037 0.000 0.984 359 F HN -0.035 nan 8.300 nan 0.000 0.472 360 L N 0.075 121.274 121.223 -0.039 0.000 2.083 360 L HA -0.166 4.179 4.340 0.008 0.000 0.209 360 L C 2.792 179.598 176.870 -0.107 0.000 1.083 360 L CA 1.033 55.790 54.840 -0.138 0.000 0.752 360 L CB -1.529 40.533 42.059 0.005 0.000 0.899 360 L HN 0.245 nan 8.230 nan 0.000 0.433 361 A N 0.801 123.603 122.820 -0.030 0.000 1.930 361 A HA -0.054 4.271 4.320 0.008 0.000 0.217 361 A C 2.431 180.001 177.584 -0.023 0.000 1.175 361 A CA 1.569 53.600 52.037 -0.011 0.000 0.627 361 A CB -1.067 17.948 19.000 0.025 0.000 0.815 361 A HN 0.427 nan 8.150 nan 0.000 0.443 362 G N -0.713 108.074 108.800 -0.022 0.000 2.422 362 G HA2 -0.037 3.928 3.960 0.008 0.000 0.218 362 G HA3 -0.037 3.928 3.960 0.008 0.000 0.218 362 G C 1.457 176.288 174.900 -0.114 0.000 1.140 362 G CA 1.072 46.158 45.100 -0.022 0.000 0.775 362 G HN 0.287 nan 8.290 nan 0.000 0.545 363 V N 1.000 120.769 119.914 -0.241 0.000 2.343 363 V HA -0.139 3.985 4.120 0.008 0.000 0.247 363 V C 2.985 179.015 176.094 -0.106 0.000 1.051 363 V CA 1.592 63.752 62.300 -0.233 0.000 1.036 363 V CB -0.365 31.237 31.823 -0.368 0.000 0.654 363 V HN 0.206 nan 8.190 nan 0.000 0.451 364 R N -0.144 120.306 120.500 -0.083 0.000 2.120 364 R HA -0.009 4.336 4.340 0.008 0.000 0.234 364 R C 2.024 178.310 176.300 -0.024 0.000 1.123 364 R CA 1.426 57.502 56.100 -0.040 0.000 0.975 364 R CB -0.848 29.435 30.300 -0.029 0.000 0.866 364 R HN 0.489 nan 8.270 nan 0.000 0.446 365 I N -0.633 119.924 120.570 -0.022 0.000 2.333 365 I HA -0.060 4.115 4.170 0.008 0.000 0.246 365 I C 2.285 178.401 176.117 -0.001 0.000 1.106 365 I CA 1.334 62.632 61.300 -0.004 0.000 1.411 365 I CB -0.489 37.517 38.000 0.010 0.000 1.082 365 I HN 0.183 nan 8.210 nan 0.000 0.420 366 G N 0.366 109.156 108.800 -0.017 0.000 2.448 366 G HA2 -0.035 3.930 3.960 0.008 0.000 0.218 366 G HA3 -0.035 3.930 3.960 0.008 0.000 0.218 366 G C 0.836 175.747 174.900 0.019 0.000 1.135 366 G CA 0.403 45.498 45.100 -0.008 0.000 0.784 366 G HN 0.246 nan 8.290 nan 0.000 0.543 367 V N 1.872 121.779 119.914 -0.011 0.000 2.361 367 V HA 0.220 4.345 4.120 0.008 0.000 0.252 367 V C -1.546 174.551 176.094 0.006 0.000 0.986 367 V CA -1.051 61.229 62.300 -0.033 0.000 1.033 367 V CB 1.496 33.277 31.823 -0.071 0.000 1.282 367 V HN 0.072 nan 8.190 nan 0.000 0.514 368 P HA -0.085 nan 4.420 nan 0.000 0.226 368 P C 1.029 178.337 177.300 0.014 0.000 1.153 368 P CA 0.885 63.994 63.100 0.014 0.000 0.777 368 P CB 0.585 32.292 31.700 0.012 0.000 0.794 369 Q N -0.426 119.391 119.800 0.029 0.000 2.425 369 Q HA 0.254 4.599 4.340 0.008 0.000 0.204 369 Q C 0.836 176.841 176.000 0.009 0.000 0.933 369 Q CA -0.010 55.805 55.803 0.021 0.000 0.939 369 Q CB -0.409 28.352 28.738 0.037 0.000 1.044 369 Q HN 0.159 nan 8.270 nan 0.000 0.513 370 A N 0.791 123.616 122.820 0.007 0.000 2.440 370 A HA 0.428 4.753 4.320 0.008 0.000 0.251 370 A C 0.458 178.040 177.584 -0.003 0.000 1.089 370 A CA -0.267 51.770 52.037 -0.001 0.000 0.779 370 A CB 0.168 19.171 19.000 0.004 0.000 1.022 370 A HN 0.360 nan 8.150 nan 0.000 0.492 371 S N 1.963 117.658 115.700 -0.009 0.000 2.598 371 S HA 0.047 4.522 4.470 0.008 0.000 0.256 371 S C 0.408 175.012 174.600 0.006 0.000 1.350 371 S CA 0.363 58.560 58.200 -0.005 0.000 0.984 371 S CB 0.264 63.457 63.200 -0.012 0.000 0.930 371 S HN 0.639 nan 8.310 nan 0.000 0.577 372 D N 0.021 120.427 120.400 0.010 0.000 2.117 372 D HA -0.056 4.589 4.640 0.008 0.000 0.197 372 D C 1.775 178.096 176.300 0.036 0.000 0.987 372 D CA 0.829 54.842 54.000 0.021 0.000 0.829 372 D CB -0.506 40.306 40.800 0.020 0.000 0.961 372 D HN 0.395 nan 8.370 nan 0.000 0.460 373 L N 0.864 122.108 121.223 0.034 0.000 2.046 373 L HA -0.053 4.292 4.340 0.008 0.000 0.208 373 L C 2.092 179.009 176.870 0.078 0.000 1.077 373 L CA 1.665 56.538 54.840 0.055 0.000 0.747 373 L CB -0.850 41.236 42.059 0.044 0.000 0.896 373 L HN -0.015 nan 8.230 nan 0.000 0.432 374 A N -0.595 122.253 122.820 0.047 0.000 1.902 374 A HA -0.125 4.200 4.320 0.008 0.000 0.217 374 A C 2.447 180.084 177.584 0.089 0.000 1.181 374 A CA 1.879 53.946 52.037 0.050 0.000 0.623 374 A CB -1.149 17.843 19.000 -0.015 0.000 0.818 374 A HN 0.560 nan 8.150 nan 0.000 0.443 375 A N -0.783 122.073 122.820 0.059 0.000 1.902 375 A HA -0.137 4.188 4.320 0.008 0.000 0.217 375 A C 1.994 179.626 177.584 0.080 0.000 1.181 375 A CA 1.720 53.788 52.037 0.051 0.000 0.623 375 A CB -0.419 18.591 19.000 0.018 0.000 0.818 375 A HN 0.411 nan 8.150 nan 0.000 0.443 376 E N -0.039 120.219 120.200 0.095 0.000 2.110 376 E HA -0.106 4.249 4.350 0.008 0.000 0.193 376 E C 2.318 179.020 176.600 0.170 0.000 0.988 376 E CA 1.129 57.606 56.400 0.128 0.000 0.804 376 E CB -0.506 29.262 29.700 0.113 0.000 0.745 376 E HN 0.544 nan 8.360 nan 0.000 0.458 377 A N 0.647 123.585 122.820 0.197 0.000 1.908 377 A HA -0.154 4.171 4.320 0.008 0.000 0.218 377 A C 2.590 180.277 177.584 0.172 0.000 1.181 377 A CA 1.528 53.722 52.037 0.261 0.000 0.627 377 A CB -0.617 18.662 19.000 0.465 0.000 0.818 377 A HN 0.149 nan 8.150 nan 0.000 0.445 378 V N -0.482 119.557 119.914 0.207 0.000 2.270 378 V HA -0.228 3.896 4.120 0.008 0.000 0.245 378 V C 2.583 178.837 176.094 0.266 0.000 1.043 378 V CA 1.972 64.363 62.300 0.150 0.000 1.014 378 V CB -0.850 31.068 31.823 0.159 0.000 0.645 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.289 119.756 119.914 0.217 0.000 2.282 379 V HA -0.269 3.856 4.120 0.008 0.000 0.249 379 V C 2.427 178.763 176.094 0.403 0.000 1.057 379 V CA 1.753 64.252 62.300 0.332 0.000 1.032 379 V CB -0.584 31.370 31.823 0.219 0.000 0.645 379 V HN 0.390 nan 8.190 nan 0.000 0.447 380 L N -0.415 121.027 121.223 0.365 0.000 2.046 380 L HA -0.221 4.124 4.340 0.008 0.000 0.208 380 L C 2.486 179.591 176.870 0.392 0.000 1.077 380 L CA 2.621 57.754 54.840 0.489 0.000 0.747 380 L CB -1.331 40.901 42.059 0.289 0.000 0.896 380 L HN 0.535 nan 8.230 nan 0.000 0.432 381 H N -1.364 117.720 119.070 0.024 0.000 2.389 381 H HA -0.182 4.378 4.556 0.006 0.000 0.299 381 H C 1.829 177.050 175.328 -0.179 0.000 1.081 381 H CA 1.853 57.764 56.048 -0.229 0.000 1.345 381 H CB -0.033 29.255 29.762 -0.790 0.000 1.393 381 H HN 0.249 nan 8.280 nan 0.000 0.520 382 Y N -0.080 120.262 120.300 0.071 0.000 2.523 382 Y HA 0.120 4.676 4.550 0.009 0.000 0.279 382 Y C 0.788 176.718 175.900 0.049 0.000 1.139 382 Y CA 0.385 58.557 58.100 0.120 0.000 1.296 382 Y CB 0.287 38.963 38.460 0.360 0.000 1.045 382 Y HN 0.046 nan 8.280 nan 0.000 0.538 383 T N 1.278 115.836 114.554 0.007 0.000 2.901 383 T HA -0.045 4.310 4.350 0.008 0.000 0.301 383 T C -0.280 174.083 174.700 -0.561 0.000 1.012 383 T CA -0.278 61.560 62.100 -0.436 0.000 1.135 383 T CB 0.370 68.547 68.868 -1.152 0.000 0.936 383 T HN 0.045 nan 8.240 nan 0.000 0.539 384 D N 1.771 121.797 120.400 -0.624 0.000 2.380 384 D HA 0.112 4.756 4.640 0.008 0.000 0.230 384 D C -0.108 175.894 176.300 -0.497 0.000 1.154 384 D CA -0.702 52.923 54.000 -0.624 0.000 0.859 384 D CB 0.397 40.612 40.800 -0.976 0.000 1.045 384 D HN 0.607 nan 8.370 nan 0.000 0.495 385 W N 3.231 124.429 121.300 -0.169 0.000 3.077 385 W HA 0.140 4.803 4.660 0.006 0.000 0.245 385 W C 1.930 178.343 176.519 -0.177 0.000 1.316 385 W CA -0.326 56.940 57.345 -0.132 0.000 1.537 385 W CB 0.154 29.554 29.460 -0.100 0.000 1.131 385 W HN 0.415 nan 8.180 nan 0.000 0.695 386 L N -1.046 120.094 121.223 -0.139 0.000 2.270 386 L HA -0.031 4.314 4.340 0.008 0.000 0.210 386 L C 0.171 176.680 176.870 -0.602 0.000 1.104 386 L CA 1.121 55.726 54.840 -0.391 0.000 0.804 386 L CB -0.081 41.637 42.059 -0.568 0.000 0.937 386 L HN 0.034 nan 8.230 nan 0.000 0.450 387 H N -1.788 117.200 119.070 -0.136 0.000 2.597 387 H HA 0.145 4.705 4.556 0.007 0.000 0.225 387 H C -1.861 173.350 175.328 -0.195 0.000 1.422 387 H CA -1.102 54.862 56.048 -0.140 0.000 1.335 387 H CB 0.369 30.042 29.762 -0.148 0.000 1.783 387 H HN -0.024 nan 8.280 nan 0.000 0.513 388 P HA -0.124 nan 4.420 nan 0.000 0.226 388 P C 0.608 177.813 177.300 -0.158 0.000 1.153 388 P CA 1.106 64.050 63.100 -0.260 0.000 0.777 388 P CB 0.665 32.221 31.700 -0.240 0.000 0.794 389 E N -0.433 119.728 120.200 -0.064 0.000 2.526 389 E HA 0.054 4.409 4.350 0.008 0.000 0.208 389 E C -0.148 176.428 176.600 -0.040 0.000 0.997 389 E CA -0.125 56.250 56.400 -0.042 0.000 0.961 389 E CB -0.010 29.683 29.700 -0.012 0.000 1.030 389 E HN 0.259 nan 8.360 nan 0.000 0.483 390 D N 2.397 122.780 120.400 -0.029 0.000 2.363 390 D HA 0.010 4.654 4.640 0.008 0.000 0.263 390 D C -1.619 174.647 176.300 -0.057 0.000 1.258 390 D CA -1.623 52.356 54.000 -0.035 0.000 0.907 390 D CB 1.329 42.108 40.800 -0.034 0.000 1.107 390 D HN -0.180 nan 8.370 nan 0.000 0.495 391 P HA -0.133 nan 4.420 nan 0.000 0.216 391 P C 1.084 178.306 177.300 -0.130 0.000 1.150 391 P CA 1.079 64.111 63.100 -0.114 0.000 0.837 391 P CB 0.213 31.841 31.700 -0.119 0.000 0.786 392 T N -1.889 112.607 114.554 -0.095 0.000 2.737 392 T HA -0.183 4.172 4.350 0.008 0.000 0.265 392 T C 1.736 176.402 174.700 -0.058 0.000 1.038 392 T CA 1.625 63.678 62.100 -0.079 0.000 1.144 392 T CB -1.097 67.742 68.868 -0.048 0.000 0.866 392 T HN 0.258 nan 8.240 nan 0.000 0.434 393 H N 1.158 120.162 119.070 -0.110 0.000 2.352 393 H HA 0.049 4.609 4.556 0.007 0.000 0.299 393 H C 1.977 177.208 175.328 -0.161 0.000 1.097 393 H CA 1.341 57.322 56.048 -0.111 0.000 1.311 393 H CB -0.571 29.116 29.762 -0.127 0.000 1.377 393 H HN 0.241 nan 8.280 nan 0.000 0.504 394 L N -0.020 121.007 121.223 -0.326 0.000 2.046 394 L HA -0.154 4.191 4.340 0.008 0.000 0.208 394 L C 2.920 179.660 176.870 -0.218 0.000 1.077 394 L CA 1.416 55.971 54.840 -0.474 0.000 0.747 394 L CB -0.497 41.375 42.059 -0.311 0.000 0.896 394 L HN 0.285 nan 8.230 nan 0.000 0.432 395 R N 0.578 121.011 120.500 -0.113 0.000 2.080 395 R HA -0.198 4.147 4.340 0.008 0.000 0.236 395 R C 1.691 178.073 176.300 0.137 0.000 1.137 395 R CA 2.258 58.388 56.100 0.051 0.000 0.943 395 R CB -0.416 29.775 30.300 -0.182 0.000 0.846 395 R HN 0.339 nan 8.270 nan 0.000 0.431 396 D N 0.201 120.605 120.400 0.006 0.000 2.144 396 D HA -0.063 4.581 4.640 0.008 0.000 0.200 396 D C 1.716 178.029 176.300 0.022 0.000 0.978 396 D CA 1.379 55.417 54.000 0.063 0.000 0.833 396 D CB -0.212 40.613 40.800 0.042 0.000 0.961 396 D HN 0.376 nan 8.370 nan 0.000 0.470 397 A N 0.555 123.264 122.820 -0.185 0.000 1.969 397 A HA -0.137 4.188 4.320 0.008 0.000 0.218 397 A C 2.104 179.791 177.584 0.171 0.000 1.169 397 A CA 1.250 53.249 52.037 -0.062 0.000 0.635 397 A CB -0.418 18.333 19.000 -0.415 0.000 0.810 397 A HN 0.122 nan 8.150 nan 0.000 0.445 398 M N -0.008 119.752 119.600 0.266 0.000 2.117 398 M HA -0.094 4.391 4.480 0.008 0.000 0.262 398 M C 2.301 178.642 176.300 0.068 0.000 1.065 398 M CA 2.027 57.490 55.300 0.272 0.000 1.114 398 M CB -0.643 32.159 32.600 0.337 0.000 1.361 398 M HN 0.426 nan 8.290 nan 0.000 0.408 399 S N -0.274 115.491 115.700 0.108 0.000 2.343 399 S HA -0.123 4.351 4.470 0.008 0.000 0.219 399 S C 2.103 176.770 174.600 0.112 0.000 1.033 399 S CA 1.770 60.047 58.200 0.129 0.000 1.014 399 S CB -0.750 62.596 63.200 0.243 0.000 0.915 399 S HN 0.621 nan 8.310 nan 0.000 0.435 400 A N 1.013 123.918 122.820 0.143 0.000 1.917 400 A HA -0.076 4.248 4.320 0.008 0.000 0.219 400 A C 2.394 180.016 177.584 0.062 0.000 1.182 400 A CA 2.077 54.228 52.037 0.190 0.000 0.633 400 A CB -1.340 17.875 19.000 0.359 0.000 0.819 400 A HN 0.488 nan 8.150 nan 0.000 0.448 401 V N -0.495 119.300 119.914 -0.198 0.000 2.252 401 V HA -0.284 3.841 4.120 0.008 0.000 0.249 401 V C 2.592 178.588 176.094 -0.163 0.000 1.056 401 V CA 2.266 64.354 62.300 -0.352 0.000 1.022 401 V CB -0.817 30.807 31.823 -0.331 0.000 0.641 401 V HN 0.405 nan 8.190 nan 0.000 0.445 402 V N 0.526 120.381 119.914 -0.098 0.000 2.358 402 V HA -0.143 3.981 4.120 0.008 0.000 0.246 402 V C 2.584 178.593 176.094 -0.142 0.000 1.047 402 V CA 2.123 64.367 62.300 -0.094 0.000 1.035 402 V CB -1.349 30.465 31.823 -0.015 0.000 0.658 402 V HN 0.619 nan 8.190 nan 0.000 0.452 403 G N -0.295 108.480 108.800 -0.040 0.000 2.404 403 G HA2 -0.227 3.738 3.960 0.008 0.000 0.215 403 G HA3 -0.227 3.738 3.960 0.008 0.000 0.215 403 G C 1.232 176.072 174.900 -0.101 0.000 1.174 403 G CA 1.003 46.093 45.100 -0.016 0.000 0.780 403 G HN 0.495 nan 8.290 nan 0.000 0.537 404 D N -0.215 120.134 120.400 -0.085 0.000 2.097 404 D HA -0.090 4.555 4.640 0.008 0.000 0.195 404 D C 2.115 178.095 176.300 -0.534 0.000 0.989 404 D CA 1.290 55.202 54.000 -0.148 0.000 0.827 404 D CB -0.497 40.389 40.800 0.143 0.000 0.966 404 D HN 0.383 nan 8.370 nan 0.000 0.456 405 H N 1.009 119.485 119.070 -0.990 0.000 2.321 405 H HA 0.017 4.577 4.556 0.007 0.000 0.300 405 H C 1.453 176.381 175.328 -0.667 0.000 1.087 405 H CA 1.730 57.014 56.048 -1.273 0.000 1.319 405 H CB -0.015 28.977 29.762 -1.284 0.000 1.379 405 H HN 0.023 nan 8.280 nan 0.000 0.501 406 N N -0.814 117.455 118.700 -0.720 0.000 2.405 406 N HA 0.008 4.753 4.740 0.008 0.000 0.175 406 N C 1.127 176.380 175.510 -0.428 0.000 1.051 406 N CA 1.019 53.570 53.050 -0.830 0.000 0.899 406 N CB 1.216 38.643 38.487 -1.767 0.000 1.000 406 N HN 0.269 nan 8.380 nan 0.000 0.451 407 V N -0.518 119.210 119.914 -0.309 0.000 3.442 407 V HA 0.048 4.173 4.120 0.008 0.000 0.205 407 V C 2.143 178.194 176.094 -0.072 0.000 1.320 407 V CA 0.144 62.394 62.300 -0.082 0.000 1.306 407 V CB -0.124 31.727 31.823 0.046 0.000 1.267 407 V HN -0.190 nan 8.190 nan 0.000 0.538 408 V N 0.234 120.108 119.914 -0.067 0.000 2.332 408 V HA -0.294 3.830 4.120 0.008 0.000 0.248 408 V C 2.464 178.524 176.094 -0.057 0.000 1.055 408 V CA 2.645 64.921 62.300 -0.041 0.000 1.038 408 V CB -0.725 31.105 31.823 0.011 0.000 0.651 408 V HN 0.688 nan 8.190 nan 0.000 0.450 409 c N -0.799 117.758 118.600 -0.072 0.000 2.505 409 c HA 0.052 4.627 4.570 0.008 0.000 0.279 409 c C 0.538 174.598 174.090 -0.051 0.000 1.316 409 c CA 0.636 56.954 56.329 -0.018 0.000 1.720 409 c CB -1.708 40.834 42.510 0.054 0.000 2.050 409 c HN 0.448 nan 8.230 nan 0.000 0.493 410 P HA -0.098 nan 4.420 nan 0.000 0.216 410 P C 1.753 178.986 177.300 -0.111 0.000 1.153 410 P CA 1.448 64.472 63.100 -0.125 0.000 0.858 410 P CB -0.140 31.450 31.700 -0.183 0.000 0.789 411 V N 0.004 119.855 119.914 -0.105 0.000 2.295 411 V HA -0.259 3.865 4.120 0.008 0.000 0.246 411 V C 2.451 178.446 176.094 -0.165 0.000 1.049 411 V CA 2.250 64.472 62.300 -0.130 0.000 1.024 411 V CB -1.690 30.054 31.823 -0.131 0.000 0.648 411 V HN 0.101 nan 8.190 nan 0.000 0.447 412 A N -0.496 122.245 122.820 -0.130 0.000 1.883 412 A HA -0.358 3.967 4.320 0.008 0.000 0.217 412 A C 2.192 179.741 177.584 -0.059 0.000 1.186 412 A CA 2.479 54.452 52.037 -0.107 0.000 0.624 412 A CB -0.628 18.362 19.000 -0.016 0.000 0.822 412 A HN 0.593 nan 8.150 nan 0.000 0.444 413 Q N -0.851 118.928 119.800 -0.036 0.000 2.061 413 Q HA -0.174 4.171 4.340 0.008 0.000 0.204 413 Q C 1.916 177.890 176.000 -0.043 0.000 0.984 413 Q CA 1.920 57.712 55.803 -0.017 0.000 0.846 413 Q CB -0.411 28.314 28.738 -0.021 0.000 0.902 413 Q HN 0.531 nan 8.270 nan 0.000 0.421 414 L N 0.186 121.354 121.223 -0.092 0.000 2.017 414 L HA -0.088 4.256 4.340 0.008 0.000 0.208 414 L C 2.186 178.977 176.870 -0.131 0.000 1.073 414 L CA 2.357 57.124 54.840 -0.121 0.000 0.745 414 L CB -1.104 40.869 42.059 -0.144 0.000 0.894 414 L HN 0.300 nan 8.230 nan 0.000 0.432 415 A N -0.664 122.046 122.820 -0.184 0.000 1.940 415 A HA -0.096 4.229 4.320 0.008 0.000 0.219 415 A C 2.320 179.910 177.584 0.010 0.000 1.176 415 A CA 1.663 53.556 52.037 -0.240 0.000 0.631 415 A CB -1.584 16.989 19.000 -0.712 0.000 0.814 415 A HN 0.555 nan 8.150 nan 0.000 0.446 416 G N -0.643 108.212 108.800 0.092 0.000 2.414 416 G HA2 -0.192 3.773 3.960 0.008 0.000 0.215 416 G HA3 -0.192 3.773 3.960 0.008 0.000 0.215 416 G C 1.664 176.637 174.900 0.122 0.000 1.188 416 G CA 0.757 45.985 45.100 0.212 0.000 0.783 416 G HN 0.389 nan 8.290 nan 0.000 0.537 417 R N -0.164 120.374 120.500 0.063 0.000 2.081 417 R HA 0.063 4.408 4.340 0.008 0.000 0.235 417 R C 2.519 178.870 176.300 0.085 0.000 1.131 417 R CA 0.462 56.604 56.100 0.070 0.000 0.960 417 R CB -1.266 29.065 30.300 0.051 0.000 0.856 417 R HN 0.317 nan 8.270 nan 0.000 0.436 418 L N 0.546 121.763 121.223 -0.010 0.000 2.017 418 L HA -0.033 4.312 4.340 0.008 0.000 0.208 418 L C 2.372 179.288 176.870 0.076 0.000 1.073 418 L CA 1.971 56.774 54.840 -0.061 0.000 0.745 418 L CB -1.190 40.744 42.059 -0.207 0.000 0.894 418 L HN 0.156 nan 8.230 nan 0.000 0.432 419 A N -0.997 121.880 122.820 0.094 0.000 1.930 419 A HA -0.064 4.261 4.320 0.008 0.000 0.217 419 A C 2.417 180.059 177.584 0.096 0.000 1.175 419 A CA 1.454 53.557 52.037 0.111 0.000 0.627 419 A CB -0.777 18.326 19.000 0.172 0.000 0.815 419 A HN 0.376 nan 8.150 nan 0.000 0.443 420 A N -1.146 121.736 122.820 0.103 0.000 2.067 420 A HA -0.093 4.231 4.320 0.008 0.000 0.219 420 A C 1.793 179.434 177.584 0.094 0.000 1.158 420 A CA 1.502 53.591 52.037 0.085 0.000 0.661 420 A CB -0.250 18.800 19.000 0.083 0.000 0.801 420 A HN 0.595 nan 8.150 nan 0.000 0.452 421 Q N -1.956 117.930 119.800 0.143 0.000 2.175 421 Q HA 0.389 4.734 4.340 0.008 0.000 0.225 421 Q C 0.796 176.896 176.000 0.167 0.000 0.837 421 Q CA 0.393 56.294 55.803 0.163 0.000 1.032 421 Q CB 0.681 29.574 28.738 0.257 0.000 1.137 421 Q HN 0.758 nan 8.270 nan 0.000 0.483 422 G N -0.166 108.712 108.800 0.129 0.000 2.195 422 G HA2 -0.263 3.702 3.960 0.008 0.000 0.224 422 G HA3 -0.263 3.702 3.960 0.008 0.000 0.224 422 G C 0.312 175.281 174.900 0.115 0.000 0.990 422 G CA -0.205 44.955 45.100 0.101 0.000 0.639 422 G HN 0.521 nan 8.290 nan 0.000 0.514 423 A N 0.092 123.004 122.820 0.153 0.000 2.407 423 A HA 0.695 5.019 4.320 0.008 0.000 0.248 423 A C 0.674 178.301 177.584 0.072 0.000 1.082 423 A CA 0.689 52.800 52.037 0.125 0.000 0.785 423 A CB 0.272 19.334 19.000 0.103 0.000 1.020 423 A HN 0.950 nan 8.150 nan 0.000 0.489 424 R N 1.792 122.332 120.500 0.068 0.000 2.216 424 R HA 0.475 4.819 4.340 0.008 0.000 0.332 424 R C -1.369 174.935 176.300 0.006 0.000 1.056 424 R CA -0.069 56.040 56.100 0.015 0.000 0.901 424 R CB 0.329 30.664 30.300 0.058 0.000 1.039 424 R HN 0.436 nan 8.270 nan 0.000 0.456 425 V N 5.924 125.776 119.914 -0.104 0.000 2.555 425 V HA 0.400 4.525 4.120 0.008 0.000 0.302 425 V C -1.039 174.910 176.094 -0.241 0.000 1.038 425 V CA -0.727 61.533 62.300 -0.067 0.000 0.887 425 V CB 1.467 33.306 31.823 0.027 0.000 0.991 425 V HN 0.665 nan 8.190 nan 0.000 0.434 426 Y N 2.190 122.456 120.300 -0.057 0.000 2.376 426 Y HA 0.772 5.326 4.550 0.007 0.000 0.340 426 Y C 0.322 176.300 175.900 0.129 0.000 0.965 426 Y CA -0.539 57.522 58.100 -0.065 0.000 1.078 426 Y CB 2.169 40.246 38.460 -0.638 0.000 1.193 426 Y HN 0.746 nan 8.280 nan 0.000 0.452 427 A N 3.415 126.597 122.820 0.604 0.000 2.365 427 A HA 0.839 5.164 4.320 0.008 0.000 0.318 427 A C -1.782 176.188 177.584 0.643 0.000 1.091 427 A CA -0.679 51.603 52.037 0.408 0.000 0.763 427 A CB 0.774 19.851 19.000 0.127 0.000 1.248 427 A HN 0.739 nan 8.150 nan 0.000 0.442 428 Y N -0.222 120.324 120.300 0.410 0.000 2.581 428 Y HA 0.784 5.338 4.550 0.006 0.000 0.345 428 Y C -1.073 175.013 175.900 0.310 0.000 1.036 428 Y CA -1.640 56.663 58.100 0.338 0.000 1.042 428 Y CB 1.327 39.990 38.460 0.338 0.000 1.289 428 Y HN 0.654 nan 8.280 nan 0.000 0.471 429 I N 3.677 124.555 120.570 0.513 0.000 2.406 429 I HA 0.436 4.611 4.170 0.008 0.000 0.290 429 I C -1.684 174.770 176.117 0.562 0.000 0.999 429 I CA -1.005 60.562 61.300 0.445 0.000 1.124 429 I CB 0.849 39.055 38.000 0.344 0.000 1.289 429 I HN 0.738 nan 8.210 nan 0.000 0.441 430 F N 7.404 127.657 119.950 0.505 0.000 2.411 430 F HA 0.380 4.913 4.527 0.009 0.000 0.355 430 F C 0.572 176.534 175.800 0.271 0.000 1.117 430 F CA 0.060 58.293 58.000 0.389 0.000 1.139 430 F CB 0.828 40.072 39.000 0.406 0.000 1.120 430 F HN 0.546 nan 8.300 nan 0.000 0.493 431 E N 3.179 123.272 120.200 -0.179 0.000 2.630 431 E HA -0.014 4.341 4.350 0.008 0.000 0.218 431 E C -0.827 175.660 176.600 -0.189 0.000 0.977 431 E CA -0.173 56.184 56.400 -0.072 0.000 1.038 431 E CB 0.308 29.984 29.700 -0.040 0.000 1.051 431 E HN 0.557 nan 8.360 nan 0.000 0.487 432 H N 1.472 120.191 119.070 -0.585 0.000 2.517 432 H HA 0.237 4.797 4.556 0.007 0.000 0.317 432 H C -0.312 175.000 175.328 -0.027 0.000 1.080 432 H CA -0.588 55.199 56.048 -0.435 0.000 1.301 432 H CB 0.631 29.902 29.762 -0.817 0.000 1.425 432 H HN -0.127 nan 8.280 nan 0.000 0.471 433 R N 4.413 124.553 120.500 -0.599 0.000 2.202 433 R HA 0.518 4.863 4.340 0.008 0.000 0.334 433 R C -0.743 175.320 176.300 -0.395 0.000 1.036 433 R CA -0.699 55.236 56.100 -0.274 0.000 0.878 433 R CB 0.476 30.693 30.300 -0.139 0.000 1.067 433 R HN 0.765 nan 8.270 nan 0.000 0.457 434 A N 3.450 126.374 122.820 0.173 0.000 2.566 434 A HA -0.004 4.321 4.320 0.008 0.000 0.245 434 A C 1.372 179.081 177.584 0.209 0.000 1.056 434 A CA 0.547 52.884 52.037 0.500 0.000 0.757 434 A CB 0.192 19.592 19.000 0.666 0.000 0.979 434 A HN 1.042 nan 8.150 nan 0.000 0.508 435 S N 1.765 117.609 115.700 0.239 0.000 2.465 435 S HA -0.172 4.303 4.470 0.008 0.000 0.241 435 S C 1.325 175.928 174.600 0.006 0.000 1.000 435 S CA 1.673 59.935 58.200 0.102 0.000 0.964 435 S CB -0.798 62.482 63.200 0.134 0.000 0.763 435 S HN 1.302 nan 8.310 nan 0.000 0.512 436 T N -1.154 113.372 114.554 -0.047 0.000 3.086 436 T HA 0.370 4.725 4.350 0.008 0.000 0.250 436 T C 0.307 174.940 174.700 -0.112 0.000 1.074 436 T CA -0.581 61.415 62.100 -0.172 0.000 0.988 436 T CB -0.376 68.222 68.868 -0.451 0.000 0.988 436 T HN 0.245 nan 8.240 nan 0.000 0.530 437 L N 4.015 125.221 121.223 -0.029 0.000 2.455 437 L HA 0.327 4.672 4.340 0.008 0.000 0.272 437 L C 1.486 178.310 176.870 -0.077 0.000 1.174 437 L CA 0.602 55.424 54.840 -0.030 0.000 0.869 437 L CB 0.939 43.008 42.059 0.017 0.000 1.130 437 L HN 0.405 nan 8.230 nan 0.000 0.474 438 T N -0.306 114.144 114.554 -0.174 0.000 3.044 438 T HA 0.091 4.446 4.350 0.008 0.000 0.250 438 T C 0.413 175.091 174.700 -0.035 0.000 1.081 438 T CA -0.371 61.624 62.100 -0.175 0.000 1.040 438 T CB -0.347 68.281 68.868 -0.400 0.000 0.962 438 T HN 0.437 nan 8.240 nan 0.000 0.506 439 W N 3.407 124.726 121.300 0.032 0.000 2.150 439 W HA 0.412 5.077 4.660 0.009 0.000 0.341 439 W C -1.979 174.454 176.519 -0.142 0.000 1.276 439 W CA -2.314 55.011 57.345 -0.034 0.000 1.238 439 W CB 0.083 29.448 29.460 -0.158 0.000 1.128 439 W HN -0.033 nan 8.180 nan 0.000 0.581 440 P HA -0.008 nan 4.420 nan 0.000 0.271 440 P C 0.565 177.794 177.300 -0.119 0.000 1.233 440 P CA 0.045 63.115 63.100 -0.050 0.000 0.789 440 P CB 0.873 32.543 31.700 -0.051 0.000 0.951 441 L N 0.354 121.572 121.223 -0.009 0.000 2.079 441 L HA -0.146 4.199 4.340 0.008 0.000 0.210 441 L C 2.640 179.532 176.870 0.036 0.000 1.081 441 L CA 1.496 56.347 54.840 0.020 0.000 0.752 441 L CB -0.910 41.191 42.059 0.070 0.000 0.896 441 L HN 0.613 nan 8.230 nan 0.000 0.433 442 W N -0.306 121.038 121.300 0.073 0.000 2.364 442 W HA -0.217 4.447 4.660 0.007 0.000 0.281 442 W C 1.767 178.343 176.519 0.094 0.000 1.219 442 W CA 0.730 58.122 57.345 0.079 0.000 1.220 442 W CB -0.852 28.655 29.460 0.077 0.000 1.127 442 W HN 0.191 nan 8.180 nan 0.000 0.556 443 M N 1.331 120.550 119.600 -0.636 0.000 2.557 443 M HA 0.099 4.584 4.480 0.008 0.000 0.259 443 M C 1.790 177.985 176.300 -0.175 0.000 1.086 443 M CA 1.594 56.507 55.300 -0.645 0.000 1.096 443 M CB -0.801 31.289 32.600 -0.849 0.000 1.424 443 M HN 0.240 nan 8.290 nan 0.000 0.488 444 G N 0.674 109.436 108.800 -0.065 0.000 2.561 444 G HA2 -0.283 3.682 3.960 0.008 0.000 0.289 444 G HA3 -0.283 3.682 3.960 0.008 0.000 0.289 444 G C -0.166 174.753 174.900 0.032 0.000 1.169 444 G CA -0.201 44.915 45.100 0.027 0.000 0.980 444 G HN 0.234 nan 8.290 nan 0.000 0.550 445 V N 3.721 123.697 119.914 0.104 0.000 2.257 445 V HA 0.478 4.602 4.120 0.008 0.000 0.269 445 V C -1.838 174.386 176.094 0.218 0.000 1.040 445 V CA -0.795 61.618 62.300 0.188 0.000 0.813 445 V CB 1.220 33.208 31.823 0.274 0.000 1.065 445 V HN 0.538 nan 8.190 nan 0.000 0.457 446 P HA 0.173 nan 4.420 nan 0.000 0.274 446 P C -0.199 177.312 177.300 0.352 0.000 1.246 446 P CA -0.511 62.704 63.100 0.192 0.000 0.795 446 P CB 0.376 32.065 31.700 -0.019 0.000 1.006 447 H N 0.515 119.668 119.070 0.138 0.000 3.192 447 H HA 0.208 4.769 4.556 0.007 0.000 0.295 447 H C 1.582 176.848 175.328 -0.104 0.000 0.943 447 H CA 2.436 58.508 56.048 0.039 0.000 1.416 447 H CB -0.767 28.987 29.762 -0.014 0.000 1.434 447 H HN 0.742 nan 8.280 nan 0.000 0.565 448 G N 3.501 112.121 108.800 -0.300 0.000 2.213 448 G HA2 -0.305 3.660 3.960 0.008 0.000 0.226 448 G HA3 -0.305 3.660 3.960 0.008 0.000 0.226 448 G C 0.585 175.373 174.900 -0.186 0.000 0.992 448 G CA 0.306 45.180 45.100 -0.377 0.000 0.632 448 G HN 0.631 nan 8.290 nan 0.000 0.511 449 Y N 1.587 121.974 120.300 0.144 0.000 2.470 449 Y HA 0.255 4.810 4.550 0.007 0.000 0.284 449 Y C 2.290 178.292 175.900 0.169 0.000 1.188 449 Y CA 0.903 59.146 58.100 0.238 0.000 1.269 449 Y CB 0.424 39.070 38.460 0.309 0.000 1.094 449 Y HN 0.501 nan 8.280 nan 0.000 0.518 450 E N 0.195 120.351 120.200 -0.073 0.000 2.340 450 E HA -0.054 4.301 4.350 0.008 0.000 0.194 450 E C 1.620 178.079 176.600 -0.234 0.000 0.996 450 E CA 0.637 56.670 56.400 -0.610 0.000 0.869 450 E CB -0.367 28.663 29.700 -1.117 0.000 0.835 450 E HN 0.531 nan 8.360 nan 0.000 0.493 451 I N 2.929 123.457 120.570 -0.068 0.000 2.163 451 I HA -0.310 3.865 4.170 0.008 0.000 0.243 451 I C 2.759 178.846 176.117 -0.051 0.000 1.085 451 I CA 2.151 63.451 61.300 -0.000 0.000 1.347 451 I CB -0.567 37.495 38.000 0.102 0.000 1.044 451 I HN 0.226 nan 8.210 nan 0.000 0.408 452 E N 1.152 121.269 120.200 -0.140 0.000 2.219 452 E HA -0.251 4.104 4.350 0.008 0.000 0.198 452 E C 2.027 178.370 176.600 -0.427 0.000 0.998 452 E CA 1.613 57.834 56.400 -0.299 0.000 0.818 452 E CB -0.530 28.980 29.700 -0.316 0.000 0.741 452 E HN 0.465 nan 8.360 nan 0.000 0.477 453 F N 1.182 120.993 119.950 -0.233 0.000 2.270 453 F HA 0.019 4.552 4.527 0.011 0.000 0.295 453 F C 2.366 177.918 175.800 -0.413 0.000 1.087 453 F CA 0.482 58.295 58.000 -0.312 0.000 1.365 453 F CB -0.044 38.853 39.000 -0.171 0.000 1.056 453 F HN -0.031 nan 8.300 nan 0.000 0.506 454 I N -0.962 119.437 120.570 -0.284 0.000 2.286 454 I HA -0.271 3.904 4.170 0.008 0.000 0.248 454 I C 2.032 177.898 176.117 -0.418 0.000 1.115 454 I CA 1.683 62.658 61.300 -0.540 0.000 1.392 454 I CB -1.316 36.252 38.000 -0.719 0.000 1.065 454 I HN 0.092 nan 8.210 nan 0.000 0.418 455 F N 1.040 120.789 119.950 -0.335 0.000 2.661 455 F HA 0.175 4.707 4.527 0.008 0.000 0.298 455 F C 1.904 177.546 175.800 -0.264 0.000 1.137 455 F CA 0.911 58.754 58.000 -0.261 0.000 1.454 455 F CB -0.251 38.573 39.000 -0.293 0.000 1.103 455 F HN 0.296 nan 8.300 nan 0.000 0.577 456 G N -0.212 108.414 108.800 -0.289 0.000 2.132 456 G HA2 -0.288 3.677 3.960 0.008 0.000 0.234 456 G HA3 -0.288 3.677 3.960 0.008 0.000 0.234 456 G C 0.949 175.223 174.900 -1.044 0.000 0.989 456 G CA 0.310 45.116 45.100 -0.490 0.000 0.676 456 G HN 0.256 nan 8.290 nan 0.000 0.522 457 L N 0.623 121.252 121.223 -0.990 0.000 2.081 457 L HA 0.006 4.351 4.340 0.008 0.000 0.212 457 L C 0.470 176.776 176.870 -0.940 0.000 1.080 457 L CA 2.800 57.004 54.840 -1.061 0.000 0.754 457 L CB -1.238 40.468 42.059 -0.589 0.000 0.893 457 L HN 0.215 nan 8.230 nan 0.000 0.433 458 P HA -0.166 nan 4.420 nan 0.000 0.222 458 P C 1.691 178.749 177.300 -0.402 0.000 1.142 458 P CA 0.933 63.457 63.100 -0.959 0.000 0.788 458 P CB 0.024 31.173 31.700 -0.918 0.000 0.767 459 L N -1.152 119.790 121.223 -0.468 0.000 2.291 459 L HA -0.041 4.304 4.340 0.008 0.000 0.214 459 L C 0.986 177.792 176.870 -0.107 0.000 1.120 459 L CA 1.182 55.876 54.840 -0.244 0.000 0.799 459 L CB -1.120 40.821 42.059 -0.197 0.000 0.925 459 L HN -0.047 nan 8.230 nan 0.000 0.446 460 D N -0.102 120.201 120.400 -0.162 0.000 2.338 460 D HA 0.052 4.696 4.640 0.008 0.000 0.255 460 D C -1.637 174.684 176.300 0.035 0.000 1.237 460 D CA -1.878 52.149 54.000 0.045 0.000 0.883 460 D CB 1.452 42.304 40.800 0.087 0.000 1.087 460 D HN -0.008 nan 8.370 nan 0.000 0.485 461 P HA -0.117 nan 4.420 nan 0.000 0.222 461 P C 1.175 178.491 177.300 0.027 0.000 1.147 461 P CA 0.811 63.931 63.100 0.034 0.000 0.790 461 P CB 0.132 31.849 31.700 0.027 0.000 0.780 462 S N -1.388 114.326 115.700 0.024 0.000 2.561 462 S HA 0.018 4.493 4.470 0.008 0.000 0.225 462 S C 1.527 176.118 174.600 -0.015 0.000 0.977 462 S CA 0.440 58.642 58.200 0.003 0.000 0.926 462 S CB -1.192 62.009 63.200 0.002 0.000 0.769 462 S HN 0.106 nan 8.310 nan 0.000 0.533 463 L N 0.446 121.672 121.223 0.005 0.000 2.567 463 L HA 0.269 4.614 4.340 0.008 0.000 0.225 463 L C 0.268 177.053 176.870 -0.143 0.000 1.119 463 L CA -0.092 54.724 54.840 -0.040 0.000 0.871 463 L CB -0.539 41.564 42.059 0.073 0.000 1.036 463 L HN 0.213 nan 8.230 nan 0.000 0.459 464 N N -1.741 116.924 118.700 -0.057 0.000 2.829 464 N HA -0.218 4.527 4.740 0.008 0.000 0.250 464 N C -0.386 175.059 175.510 -0.107 0.000 1.090 464 N CA 0.793 53.791 53.050 -0.085 0.000 0.781 464 N CB -1.871 36.540 38.487 -0.127 0.000 1.124 464 N HN 0.294 nan 8.380 nan 0.000 0.559 465 Y N 0.986 121.265 120.300 -0.034 0.000 2.330 465 Y HA 0.197 4.751 4.550 0.008 0.000 0.341 465 Y C 2.054 177.974 175.900 0.032 0.000 1.278 465 Y CA 0.379 58.485 58.100 0.010 0.000 1.453 465 Y CB 0.387 38.836 38.460 -0.019 0.000 1.342 465 Y HN 0.092 nan 8.280 nan 0.000 0.590 466 T N -3.232 111.471 114.554 0.249 0.000 2.816 466 T HA 0.084 4.439 4.350 0.008 0.000 0.282 466 T C 1.086 175.864 174.700 0.130 0.000 0.993 466 T CA -0.388 61.803 62.100 0.151 0.000 0.994 466 T CB 0.899 69.849 68.868 0.137 0.000 1.025 466 T HN 0.683 nan 8.240 nan 0.000 0.529 467 T N 0.947 115.550 114.554 0.082 0.000 2.788 467 T HA -0.074 4.281 4.350 0.008 0.000 0.268 467 T C 1.780 176.515 174.700 0.058 0.000 1.044 467 T CA 1.808 63.943 62.100 0.058 0.000 1.139 467 T CB -0.423 68.468 68.868 0.039 0.000 0.867 467 T HN 0.763 nan 8.240 nan 0.000 0.454 468 E N 1.217 121.452 120.200 0.057 0.000 2.106 468 E HA -0.075 4.280 4.350 0.008 0.000 0.192 468 E C 2.204 178.844 176.600 0.068 0.000 0.984 468 E CA 0.884 57.305 56.400 0.035 0.000 0.806 468 E CB -0.154 29.542 29.700 -0.007 0.000 0.750 468 E HN 0.558 nan 8.360 nan 0.000 0.458 469 E N 0.444 120.722 120.200 0.131 0.000 2.150 469 E HA -0.132 4.223 4.350 0.008 0.000 0.193 469 E C 2.090 178.815 176.600 0.208 0.000 0.985 469 E CA 0.353 56.919 56.400 0.277 0.000 0.814 469 E CB 0.001 29.983 29.700 0.470 0.000 0.752 469 E HN 0.095 nan 8.360 nan 0.000 0.466 470 R N 0.860 121.414 120.500 0.090 0.000 2.070 470 R HA -0.131 4.214 4.340 0.008 0.000 0.233 470 R C 2.273 178.577 176.300 0.007 0.000 1.137 470 R CA 1.181 57.280 56.100 -0.002 0.000 0.945 470 R CB -0.268 30.034 30.300 0.002 0.000 0.845 470 R HN 0.169 nan 8.270 nan 0.000 0.430 471 I N 0.247 120.843 120.570 0.043 0.000 2.226 471 I HA -0.279 3.896 4.170 0.008 0.000 0.245 471 I C 2.253 178.415 176.117 0.074 0.000 1.100 471 I CA 0.922 62.245 61.300 0.038 0.000 1.374 471 I CB -0.356 37.668 38.000 0.040 0.000 1.057 471 I HN 0.134 nan 8.210 nan 0.000 0.413 472 F N 1.998 121.911 119.950 -0.061 0.000 2.069 472 F HA -0.262 4.269 4.527 0.006 0.000 0.298 472 F C 2.479 178.264 175.800 -0.025 0.000 1.113 472 F CA 1.404 59.357 58.000 -0.079 0.000 1.214 472 F CB -0.759 38.130 39.000 -0.184 0.000 0.978 472 F HN 0.029 nan 8.300 nan 0.000 0.474 473 A N 0.011 122.778 122.820 -0.089 0.000 1.908 473 A HA -0.268 4.057 4.320 0.008 0.000 0.218 473 A C 2.163 179.612 177.584 -0.225 0.000 1.181 473 A CA 1.973 53.890 52.037 -0.201 0.000 0.627 473 A CB -0.958 17.939 19.000 -0.171 0.000 0.818 473 A HN 0.638 nan 8.150 nan 0.000 0.445 474 Q N -0.859 118.850 119.800 -0.151 0.000 2.050 474 Q HA -0.191 4.154 4.340 0.008 0.000 0.202 474 Q C 2.412 178.307 176.000 -0.175 0.000 0.980 474 Q CA 1.607 57.331 55.803 -0.132 0.000 0.840 474 Q CB -0.209 28.481 28.738 -0.080 0.000 0.898 474 Q HN 0.627 nan 8.270 nan 0.000 0.424 475 R N 0.354 120.738 120.500 -0.195 0.000 2.094 475 R HA -0.182 4.163 4.340 0.008 0.000 0.239 475 R C 2.361 178.388 176.300 -0.455 0.000 1.137 475 R CA 1.572 57.474 56.100 -0.330 0.000 0.943 475 R CB -0.515 29.674 30.300 -0.185 0.000 0.850 475 R HN 0.254 nan 8.270 nan 0.000 0.433 476 L N -0.015 121.023 121.223 -0.308 0.000 2.046 476 L HA -0.207 4.138 4.340 0.008 0.000 0.208 476 L C 2.590 179.414 176.870 -0.076 0.000 1.077 476 L CA 1.354 56.111 54.840 -0.139 0.000 0.747 476 L CB -0.389 41.420 42.059 -0.418 0.000 0.896 476 L HN 0.266 nan 8.230 nan 0.000 0.432 477 M N -0.607 118.888 119.600 -0.175 0.000 2.117 477 M HA -0.204 4.281 4.480 0.008 0.000 0.262 477 M C 2.341 178.632 176.300 -0.015 0.000 1.065 477 M CA 1.698 56.932 55.300 -0.110 0.000 1.114 477 M CB -0.316 32.205 32.600 -0.132 0.000 1.361 477 M HN 0.105 nan 8.290 nan 0.000 0.408 478 K N -0.269 120.081 120.400 -0.083 0.000 2.009 478 K HA -0.177 4.148 4.320 0.008 0.000 0.210 478 K C 1.933 178.567 176.600 0.057 0.000 1.049 478 K CA 1.697 57.943 56.287 -0.068 0.000 0.929 478 K CB -0.426 31.973 32.500 -0.170 0.000 0.714 478 K HN 0.268 nan 8.250 nan 0.000 0.440 479 Y N -0.000 120.423 120.300 0.206 0.000 2.114 479 Y HA -0.265 4.292 4.550 0.011 0.000 0.282 479 Y C 2.338 178.355 175.900 0.195 0.000 1.165 479 Y CA 0.952 59.203 58.100 0.251 0.000 1.148 479 Y CB -0.830 37.933 38.460 0.505 0.000 0.972 479 Y HN 0.267 nan 8.280 nan 0.000 0.504 480 W N 0.570 121.940 121.300 0.117 0.000 2.379 480 W HA -0.210 4.454 4.660 0.007 0.000 0.307 480 W C 2.541 179.052 176.519 -0.014 0.000 1.200 480 W CA 2.327 59.678 57.345 0.012 0.000 1.297 480 W CB -0.610 28.791 29.460 -0.097 0.000 1.140 480 W HN 0.245 nan 8.180 nan 0.000 0.507 481 T N -1.943 112.707 114.554 0.160 0.000 2.857 481 T HA -0.151 4.204 4.350 0.008 0.000 0.266 481 T C 1.449 176.165 174.700 0.027 0.000 1.048 481 T CA 1.202 63.329 62.100 0.043 0.000 1.139 481 T CB -0.633 68.241 68.868 0.010 0.000 0.874 481 T HN -0.087 nan 8.240 nan 0.000 0.455 482 N N 0.941 119.674 118.700 0.054 0.000 2.104 482 N HA -0.024 4.720 4.740 0.008 0.000 0.190 482 N C 1.378 176.873 175.510 -0.024 0.000 1.024 482 N CA 1.098 54.161 53.050 0.021 0.000 0.853 482 N CB -0.661 37.859 38.487 0.055 0.000 1.008 482 N HN 0.501 nan 8.380 nan 0.000 0.424 483 F N 1.627 121.482 119.950 -0.159 0.000 2.102 483 F HA -0.070 4.462 4.527 0.008 0.000 0.298 483 F C 2.195 177.903 175.800 -0.153 0.000 1.105 483 F CA 1.374 59.230 58.000 -0.240 0.000 1.239 483 F CB -0.516 38.246 39.000 -0.398 0.000 0.991 483 F HN 0.032 nan 8.300 nan 0.000 0.474 484 A N 0.777 123.503 122.820 -0.158 0.000 1.917 484 A HA -0.234 4.090 4.320 0.008 0.000 0.219 484 A C 2.359 179.823 177.584 -0.200 0.000 1.182 484 A CA 2.024 53.953 52.037 -0.179 0.000 0.633 484 A CB -0.779 18.182 19.000 -0.065 0.000 0.819 484 A HN 0.493 nan 8.150 nan 0.000 0.448 485 R N -1.371 119.041 120.500 -0.148 0.000 2.090 485 R HA -0.060 4.284 4.340 0.008 0.000 0.228 485 R C 1.919 178.129 176.300 -0.151 0.000 1.110 485 R CA 1.796 57.825 56.100 -0.118 0.000 0.973 485 R CB -0.204 30.054 30.300 -0.070 0.000 0.869 485 R HN 0.747 nan 8.270 nan 0.000 0.440 486 T N -5.470 108.965 114.554 -0.198 0.000 3.041 486 T HA 0.217 4.572 4.350 0.008 0.000 0.276 486 T C 1.140 175.700 174.700 -0.235 0.000 0.948 486 T CA 0.356 62.354 62.100 -0.170 0.000 0.885 486 T CB 1.263 70.069 68.868 -0.102 0.000 1.175 486 T HN 0.305 nan 8.240 nan 0.000 0.529 487 G N 1.503 110.019 108.800 -0.474 0.000 2.179 487 G HA2 -0.176 3.788 3.960 0.008 0.000 0.257 487 G HA3 -0.176 3.788 3.960 0.008 0.000 0.257 487 G C -0.360 174.437 174.900 -0.171 0.000 1.010 487 G CA 0.321 45.063 45.100 -0.596 0.000 0.736 487 G HN 0.822 nan 8.290 nan 0.000 0.513 488 D N -0.913 119.379 120.400 -0.181 0.000 2.763 488 D HA 0.433 5.078 4.640 0.008 0.000 0.235 488 D C -1.679 174.466 176.300 -0.258 0.000 1.334 488 D CA -1.664 52.202 54.000 -0.224 0.000 0.950 488 D CB 1.934 42.698 40.800 -0.059 0.000 1.433 488 D HN -0.009 nan 8.370 nan 0.000 0.580 489 P HA 0.032 nan 4.420 nan 0.000 0.241 489 P C -0.064 177.272 177.300 0.061 0.000 1.191 489 P CA 0.006 62.955 63.100 -0.251 0.000 0.771 489 P CB 0.333 31.606 31.700 -0.712 0.000 0.929 490 N N 1.337 120.038 118.700 0.001 0.000 2.525 490 N HA 0.032 4.776 4.740 0.008 0.000 0.271 490 N C 0.043 175.623 175.510 0.117 0.000 1.194 490 N CA 0.162 53.302 53.050 0.151 0.000 0.964 490 N CB 0.714 39.279 38.487 0.130 0.000 1.126 490 N HN 0.051 nan 8.380 nan 0.000 0.452 491 D N 1.720 122.203 120.400 0.138 0.000 2.371 491 D HA 0.062 4.707 4.640 0.008 0.000 0.256 491 D C -1.376 174.964 176.300 0.066 0.000 1.193 491 D CA -1.267 52.783 54.000 0.083 0.000 0.881 491 D CB 1.394 42.237 40.800 0.073 0.000 1.143 491 D HN 0.265 nan 8.370 nan 0.000 0.473 492 P HA -0.040 nan 4.420 nan 0.000 0.219 492 P C 1.308 178.631 177.300 0.037 0.000 1.150 492 P CA 0.718 63.841 63.100 0.038 0.000 0.814 492 P CB 0.431 32.145 31.700 0.023 0.000 0.787 493 R N -0.476 120.045 120.500 0.034 0.000 2.062 493 R HA -0.021 4.323 4.340 0.008 0.000 0.226 493 R C 0.602 176.925 176.300 0.038 0.000 1.125 493 R CA 0.771 56.890 56.100 0.031 0.000 0.966 493 R CB -0.447 29.867 30.300 0.024 0.000 0.861 493 R HN 0.010 nan 8.270 nan 0.000 0.433 494 D N 0.177 120.605 120.400 0.047 0.000 2.508 494 D HA -0.009 4.636 4.640 0.008 0.000 0.224 494 D C 0.633 176.971 176.300 0.064 0.000 1.171 494 D CA -0.002 54.029 54.000 0.053 0.000 1.006 494 D CB 0.786 41.620 40.800 0.057 0.000 1.073 494 D HN 0.180 nan 8.370 nan 0.000 0.513 495 S N 1.845 117.578 115.700 0.055 0.000 2.453 495 S HA -0.129 4.345 4.470 0.008 0.000 0.231 495 S C 2.122 176.758 174.600 0.059 0.000 1.005 495 S CA 0.926 59.161 58.200 0.059 0.000 0.949 495 S CB -0.167 63.062 63.200 0.048 0.000 0.774 495 S HN 0.379 nan 8.310 nan 0.000 0.510 496 K N 1.723 122.154 120.400 0.053 0.000 2.057 496 K HA 0.199 4.524 4.320 0.008 0.000 0.207 496 K C 1.426 178.061 176.600 0.059 0.000 1.049 496 K CA 1.353 57.669 56.287 0.049 0.000 0.931 496 K CB -1.372 31.152 32.500 0.040 0.000 0.714 496 K HN 0.476 nan 8.250 nan 0.000 0.440 497 S N 1.756 117.499 115.700 0.072 0.000 2.563 497 S HA 0.267 4.742 4.470 0.008 0.000 0.284 497 S C -2.286 172.376 174.600 0.104 0.000 1.331 497 S CA -0.909 57.346 58.200 0.092 0.000 1.047 497 S CB 0.872 64.143 63.200 0.119 0.000 0.859 497 S HN 0.403 nan 8.310 nan 0.000 0.514 498 P HA 0.153 nan 4.420 nan 0.000 0.271 498 P C -0.590 176.793 177.300 0.139 0.000 1.216 498 P CA -0.296 62.862 63.100 0.096 0.000 0.776 498 P CB 0.410 32.149 31.700 0.065 0.000 0.881 499 Q N 1.109 120.994 119.800 0.141 0.000 2.259 499 Q HA 0.198 4.543 4.340 0.008 0.000 0.246 499 Q C -0.730 175.424 176.000 0.257 0.000 0.920 499 Q CA -0.037 55.886 55.803 0.200 0.000 0.895 499 Q CB 1.127 29.968 28.738 0.173 0.000 1.220 499 Q HN 0.561 nan 8.270 nan 0.000 0.439 500 W N 6.103 127.460 121.300 0.096 0.000 2.311 500 W HA 0.333 4.997 4.660 0.007 0.000 0.317 500 W C -2.491 174.177 176.519 0.248 0.000 1.065 500 W CA -2.528 54.886 57.345 0.116 0.000 1.364 500 W CB 0.584 30.052 29.460 0.014 0.000 1.233 500 W HN 0.376 nan 8.180 nan 0.000 0.409 501 P HA 0.277 nan 4.420 nan 0.000 0.281 501 P C -2.610 174.890 177.300 0.334 0.000 1.249 501 P CA -1.703 61.620 63.100 0.372 0.000 0.810 501 P CB 0.889 32.718 31.700 0.214 0.000 1.008 502 P HA 0.050 nan 4.420 nan 0.000 0.269 502 P C -0.616 176.666 177.300 -0.030 0.000 1.209 502 P CA 0.142 63.012 63.100 -0.384 0.000 0.776 502 P CB 0.049 31.501 31.700 -0.413 0.000 0.876 503 Y N 2.636 122.875 120.300 -0.102 0.000 2.402 503 Y HA 0.311 4.870 4.550 0.014 0.000 0.333 503 Y C 0.446 176.335 175.900 -0.018 0.000 1.076 503 Y CA 0.535 58.645 58.100 0.018 0.000 1.299 503 Y CB 0.196 38.688 38.460 0.055 0.000 1.197 503 Y HN 0.377 nan 8.280 nan 0.000 0.517 504 T N 0.229 114.538 114.554 -0.407 0.000 2.924 504 T HA 0.240 4.594 4.350 0.008 0.000 0.291 504 T C 0.998 175.443 174.700 -0.425 0.000 1.045 504 T CA -0.184 61.750 62.100 -0.277 0.000 1.015 504 T CB 1.358 70.137 68.868 -0.147 0.000 1.103 504 T HN 0.659 nan 8.240 nan 0.000 0.496 505 T N -0.848 113.602 114.554 -0.174 0.000 2.867 505 T HA 0.002 4.357 4.350 0.008 0.000 0.268 505 T C 2.210 176.847 174.700 -0.104 0.000 1.057 505 T CA 0.955 62.990 62.100 -0.108 0.000 1.136 505 T CB -0.787 68.079 68.868 -0.002 0.000 0.874 505 T HN 0.839 nan 8.240 nan 0.000 0.466 506 A N 1.703 124.468 122.820 -0.093 0.000 1.854 506 A HA 0.517 4.842 4.320 0.008 0.000 0.214 506 A C 2.680 180.220 177.584 -0.074 0.000 1.192 506 A CA 1.588 53.588 52.037 -0.061 0.000 0.611 506 A CB -1.158 17.819 19.000 -0.040 0.000 0.832 506 A HN 0.756 nan 8.150 nan 0.000 0.442 507 A N -2.396 120.358 122.820 -0.111 0.000 2.115 507 A HA 0.287 4.612 4.320 0.008 0.000 0.211 507 A C 0.946 178.458 177.584 -0.120 0.000 1.169 507 A CA 0.853 52.839 52.037 -0.085 0.000 0.787 507 A CB -0.186 18.780 19.000 -0.057 0.000 0.858 507 A HN 0.531 nan 8.150 nan 0.000 0.474 508 Q N -0.356 119.255 119.800 -0.315 0.000 2.468 508 Q HA -0.216 4.129 4.340 0.008 0.000 0.289 508 Q C -0.721 175.266 176.000 -0.022 0.000 1.299 508 Q CA 0.684 56.215 55.803 -0.453 0.000 0.838 508 Q CB -1.804 26.875 28.738 -0.099 0.000 1.195 508 Q HN 0.837 nan 8.270 nan 0.000 0.456 509 Q N 0.342 120.141 119.800 -0.002 0.000 2.259 509 Q HA 0.533 4.878 4.340 0.008 0.000 0.249 509 Q C -0.445 175.836 176.000 0.468 0.000 0.914 509 Q CA -0.171 55.747 55.803 0.192 0.000 0.904 509 Q CB 0.713 29.508 28.738 0.095 0.000 1.213 509 Q HN 0.334 nan 8.270 nan 0.000 0.428 510 Y N -1.663 118.778 120.300 0.234 0.000 2.655 510 Y HA 0.723 5.284 4.550 0.018 0.000 0.336 510 Y C -1.127 174.799 175.900 0.043 0.000 1.154 510 Y CA -1.554 56.687 58.100 0.235 0.000 1.055 510 Y CB 0.507 39.108 38.460 0.236 0.000 1.295 510 Y HN 0.353 nan 8.280 nan 0.000 0.465 511 V N -0.385 119.451 119.914 -0.129 0.000 2.815 511 V HA 0.816 4.941 4.120 0.008 0.000 0.314 511 V C -0.184 175.807 176.094 -0.170 0.000 1.064 511 V CA -0.623 61.445 62.300 -0.387 0.000 0.952 511 V CB 1.294 32.624 31.823 -0.821 0.000 1.020 511 V HN 1.162 nan 8.190 nan 0.000 0.439 512 S N 3.940 119.544 115.700 -0.160 0.000 2.499 512 S HA 0.635 5.110 4.470 0.008 0.000 0.275 512 S C -0.391 174.172 174.600 -0.062 0.000 1.257 512 S CA -0.614 57.566 58.200 -0.033 0.000 1.050 512 S CB 0.291 63.465 63.200 -0.043 0.000 0.937 512 S HN 0.734 nan 8.310 nan 0.000 0.490 513 L N 4.438 125.679 121.223 0.029 0.000 2.264 513 L HA 0.494 4.838 4.340 0.008 0.000 0.287 513 L C -0.085 176.705 176.870 -0.134 0.000 1.039 513 L CA -0.411 54.469 54.840 0.066 0.000 0.829 513 L CB -0.195 41.999 42.059 0.225 0.000 1.211 513 L HN 0.923 nan 8.230 nan 0.000 0.427 514 N N 2.159 120.724 118.700 -0.225 0.000 3.364 514 N HA 0.313 5.058 4.740 0.008 0.000 0.294 514 N C 0.155 175.138 175.510 -0.879 0.000 1.562 514 N CA -0.969 51.676 53.050 -0.674 0.000 0.862 514 N CB 0.613 38.882 38.487 -0.364 0.000 1.691 514 N HN 0.191 nan 8.380 nan 0.000 0.572 515 L N -1.002 119.720 121.223 -0.834 0.000 2.362 515 L HA 0.087 4.432 4.340 0.008 0.000 0.219 515 L C 0.539 177.249 176.870 -0.265 0.000 1.134 515 L CA 0.923 55.392 54.840 -0.619 0.000 0.807 515 L CB -0.528 41.259 42.059 -0.453 0.000 0.927 515 L HN 0.407 nan 8.230 nan 0.000 0.447 516 K N 0.043 120.324 120.400 -0.200 0.000 2.107 516 K HA 0.277 4.602 4.320 0.008 0.000 0.251 516 K C -2.169 174.403 176.600 -0.047 0.000 1.012 516 K CA -1.828 54.401 56.287 -0.096 0.000 0.920 516 K CB 0.187 32.637 32.500 -0.083 0.000 1.033 516 K HN -0.212 nan 8.250 nan 0.000 0.478 517 P HA -0.019 nan 4.420 nan 0.000 0.270 517 P C -0.466 176.842 177.300 0.013 0.000 1.223 517 P CA -0.228 62.891 63.100 0.031 0.000 0.785 517 P CB 0.393 32.111 31.700 0.031 0.000 0.923 518 L N 1.404 122.649 121.223 0.037 0.000 2.667 518 L HA -0.071 4.273 4.340 0.008 0.000 0.278 518 L C 1.109 177.939 176.870 -0.067 0.000 1.217 518 L CA 0.833 55.646 54.840 -0.045 0.000 0.935 518 L CB -0.403 41.621 42.059 -0.058 0.000 1.193 518 L HN 0.523 nan 8.230 nan 0.000 0.493 519 E N 3.726 123.861 120.200 -0.108 0.000 2.171 519 E HA 0.389 4.743 4.350 0.008 0.000 0.271 519 E C -1.276 175.223 176.600 -0.170 0.000 0.916 519 E CA -0.808 55.529 56.400 -0.106 0.000 0.774 519 E CB 1.863 31.510 29.700 -0.088 0.000 1.128 519 E HN 0.307 nan 8.360 nan 0.000 0.403 520 V N 5.388 125.215 119.914 -0.145 0.000 2.461 520 V HA 0.372 4.497 4.120 0.008 0.000 0.275 520 V C 0.356 176.307 176.094 -0.239 0.000 1.047 520 V CA -0.255 61.934 62.300 -0.185 0.000 0.955 520 V CB 0.824 32.597 31.823 -0.082 0.000 0.988 520 V HN 0.698 nan 8.190 nan 0.000 0.471 521 R N 4.219 124.442 120.500 -0.461 0.000 2.892 521 R HA 0.733 5.078 4.340 0.008 0.000 0.265 521 R C -0.822 175.258 176.300 -0.367 0.000 1.025 521 R CA -1.056 54.753 56.100 -0.485 0.000 0.982 521 R CB 2.377 32.235 30.300 -0.735 0.000 1.185 521 R HN 0.563 nan 8.270 nan 0.000 0.484 522 R N 0.001 120.477 120.500 -0.040 0.000 2.599 522 R HA 0.453 4.798 4.340 0.008 0.000 0.295 522 R C -0.611 175.895 176.300 0.344 0.000 0.963 522 R CA -0.500 55.693 56.100 0.155 0.000 0.883 522 R CB 2.169 32.514 30.300 0.075 0.000 1.171 522 R HN 0.917 nan 8.270 nan 0.000 0.450 523 G N 2.236 111.273 108.800 0.395 0.000 3.391 523 G HA2 -0.217 3.747 3.960 0.008 0.000 0.675 523 G HA3 -0.217 3.747 3.960 0.008 0.000 0.675 523 G C -1.046 174.026 174.900 0.286 0.000 0.899 523 G CA -0.882 44.401 45.100 0.306 0.000 0.755 523 G HN 0.344 nan 8.290 nan 0.000 0.475 524 L N 4.538 125.832 121.223 0.119 0.000 2.302 524 L HA 0.494 4.838 4.340 0.008 0.000 0.285 524 L C 1.592 178.474 176.870 0.020 0.000 1.090 524 L CA -0.440 54.320 54.840 -0.133 0.000 0.866 524 L CB -0.231 41.666 42.059 -0.270 0.000 1.244 524 L HN 0.720 nan 8.230 nan 0.000 0.435 525 R N 2.953 123.500 120.500 0.078 0.000 3.225 525 R HA -0.277 4.068 4.340 0.008 0.000 0.245 525 R C 1.332 177.727 176.300 0.158 0.000 0.928 525 R CA 0.682 56.866 56.100 0.140 0.000 0.632 525 R CB -1.986 28.412 30.300 0.163 0.000 1.038 525 R HN 0.749 nan 8.270 nan 0.000 0.461 526 A N 0.524 123.434 122.820 0.149 0.000 1.883 526 A HA -0.289 4.035 4.320 0.008 0.000 0.217 526 A C 2.091 179.764 177.584 0.148 0.000 1.186 526 A CA 1.825 53.950 52.037 0.146 0.000 0.624 526 A CB -0.182 18.899 19.000 0.135 0.000 0.822 526 A HN 0.451 nan 8.150 nan 0.000 0.444 527 Q N -0.926 118.961 119.800 0.145 0.000 2.046 527 Q HA -0.072 4.272 4.340 0.008 0.000 0.200 527 Q C 2.189 178.297 176.000 0.180 0.000 0.975 527 Q CA 2.357 58.246 55.803 0.144 0.000 0.836 527 Q CB -0.713 28.099 28.738 0.123 0.000 0.896 527 Q HN 0.595 nan 8.270 nan 0.000 0.428 528 T N -0.777 113.913 114.554 0.226 0.000 2.857 528 T HA -0.107 4.247 4.350 0.008 0.000 0.266 528 T C 1.828 176.746 174.700 0.364 0.000 1.048 528 T CA 1.201 63.463 62.100 0.270 0.000 1.139 528 T CB -0.401 68.692 68.868 0.375 0.000 0.874 528 T HN 0.353 nan 8.240 nan 0.000 0.455 529 c N 1.673 120.478 118.600 0.341 0.000 2.432 529 c HA 0.208 4.783 4.570 0.008 0.000 0.282 529 c C 3.107 177.358 174.090 0.268 0.000 1.388 529 c CA 0.027 56.568 56.329 0.353 0.000 1.777 529 c CB -1.424 41.226 42.510 0.233 0.000 1.882 529 c HN 0.636 nan 8.230 nan 0.000 0.520 530 A N 0.369 123.309 122.820 0.201 0.000 1.902 530 A HA -0.191 4.134 4.320 0.008 0.000 0.217 530 A C 1.855 179.526 177.584 0.145 0.000 1.181 530 A CA 1.616 53.744 52.037 0.152 0.000 0.623 530 A CB -0.811 18.263 19.000 0.124 0.000 0.818 530 A HN 0.530 nan 8.150 nan 0.000 0.443 531 F N -0.613 119.308 119.950 -0.048 0.000 2.043 531 F HA -0.244 4.287 4.527 0.006 0.000 0.297 531 F C 2.013 177.758 175.800 -0.091 0.000 1.121 531 F CA 2.109 59.996 58.000 -0.188 0.000 1.199 531 F CB -0.686 37.926 39.000 -0.646 0.000 0.968 531 F HN 0.391 nan 8.300 nan 0.000 0.478 532 W N 0.425 121.721 121.300 -0.008 0.000 2.388 532 W HA -0.143 4.520 4.660 0.005 0.000 0.294 532 W C 2.209 178.676 176.519 -0.087 0.000 1.212 532 W CA 1.081 58.376 57.345 -0.084 0.000 1.271 532 W CB -0.563 28.981 29.460 0.139 0.000 1.126 532 W HN 0.008 nan 8.180 nan 0.000 0.535 533 N N -0.584 118.237 118.700 0.201 0.000 2.409 533 N HA 0.041 4.786 4.740 0.008 0.000 0.174 533 N C 1.488 177.027 175.510 0.049 0.000 1.037 533 N CA 0.871 53.990 53.050 0.114 0.000 0.898 533 N CB -0.206 38.351 38.487 0.116 0.000 1.010 533 N HN 0.214 nan 8.380 nan 0.000 0.445 534 R N -1.409 119.118 120.500 0.045 0.000 2.225 534 R HA 0.247 4.591 4.340 0.008 0.000 0.194 534 R C 1.271 177.581 176.300 0.018 0.000 0.949 534 R CA 0.080 56.203 56.100 0.039 0.000 1.088 534 R CB 0.000 30.346 30.300 0.076 0.000 1.106 534 R HN 0.067 nan 8.270 nan 0.000 0.566 535 F N 1.115 120.965 119.950 -0.166 0.000 2.274 535 F HA 0.109 4.641 4.527 0.008 0.000 0.288 535 F C 1.877 177.496 175.800 -0.303 0.000 1.069 535 F CA 0.549 58.422 58.000 -0.212 0.000 1.343 535 F CB -0.089 38.794 39.000 -0.194 0.000 1.089 535 F HN -0.152 nan 8.300 nan 0.000 0.517 536 L N 1.553 122.441 121.223 -0.559 0.000 2.043 536 L HA -0.133 4.212 4.340 0.008 0.000 0.212 536 L C -0.650 175.985 176.870 -0.392 0.000 1.075 536 L CA 2.318 56.803 54.840 -0.592 0.000 0.752 536 L CB -2.149 39.577 42.059 -0.554 0.000 0.891 536 L HN 0.072 nan 8.230 nan 0.000 0.432 537 P HA -0.209 nan 4.420 nan 0.000 0.214 537 P C 1.498 178.660 177.300 -0.231 0.000 1.163 537 P CA 1.722 64.714 63.100 -0.179 0.000 0.889 537 P CB -0.098 31.534 31.700 -0.112 0.000 0.790 538 K N -1.058 119.163 120.400 -0.298 0.000 2.103 538 K HA -0.148 4.177 4.320 0.008 0.000 0.207 538 K C 1.997 178.368 176.600 -0.381 0.000 1.048 538 K CA 1.085 57.190 56.287 -0.304 0.000 0.930 538 K CB -0.914 31.417 32.500 -0.282 0.000 0.716 538 K HN 0.110 nan 8.250 nan 0.000 0.444 539 L N 1.737 122.602 121.223 -0.597 0.000 2.156 539 L HA -0.090 4.255 4.340 0.008 0.000 0.208 539 L C 2.091 178.810 176.870 -0.251 0.000 1.095 539 L CA 1.016 55.567 54.840 -0.482 0.000 0.770 539 L CB -0.460 41.216 42.059 -0.638 0.000 0.914 539 L HN 0.131 nan 8.230 nan 0.000 0.439 540 L N -0.444 120.645 121.223 -0.222 0.000 1.989 540 L HA -0.092 4.253 4.340 0.008 0.000 0.211 540 L C 1.592 178.401 176.870 -0.102 0.000 1.071 540 L CA 1.948 56.709 54.840 -0.130 0.000 0.749 540 L CB -1.382 40.613 42.059 -0.106 0.000 0.890 540 L HN 0.361 nan 8.230 nan 0.000 0.431 541 S N 0.170 115.804 115.700 -0.110 0.000 4.120 541 S HA 0.777 5.252 4.470 0.008 0.000 0.196 541 S C 0.093 174.645 174.600 -0.080 0.000 1.447 541 S CA -0.231 57.920 58.200 -0.082 0.000 0.939 541 S CB -0.808 62.348 63.200 -0.074 0.000 1.496 541 S HN 0.902 nan 8.310 nan 0.000 0.460 542 A N 0.000 122.777 122.820 -0.071 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.003 52.037 -0.057 0.000 0.836 542 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486