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 2jgf_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN 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 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.418 56.400 0.029 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.149 108.962 108.800 0.021 0.000 3.638 2 G HA2 -0.169 3.796 3.960 0.009 0.000 0.196 2 G HA3 -0.169 3.796 3.960 0.009 0.000 0.196 2 G C 0.988 175.898 174.900 0.017 0.000 1.315 2 G CA 0.218 45.328 45.100 0.016 0.000 0.944 2 G HN 0.328 nan 8.290 nan 0.000 0.434 3 R N 1.502 122.013 120.500 0.018 0.000 2.397 3 R HA 0.406 4.752 4.340 0.009 0.000 0.241 3 R C 0.640 176.953 176.300 0.021 0.000 0.914 3 R CA 0.250 56.360 56.100 0.017 0.000 1.071 3 R CB 0.259 30.567 30.300 0.013 0.000 1.116 3 R HN 0.578 nan 8.270 nan 0.000 0.524 4 E N 0.492 120.708 120.200 0.026 0.000 2.345 4 E HA 0.004 4.360 4.350 0.009 0.000 0.259 4 E C -0.636 175.988 176.600 0.040 0.000 1.117 4 E CA -0.556 55.862 56.400 0.032 0.000 0.913 4 E CB 0.464 30.186 29.700 0.036 0.000 1.057 4 E HN -0.020 nan 8.360 nan 0.000 0.432 5 D N 2.428 122.860 120.400 0.053 0.000 2.389 5 D HA -0.023 4.623 4.640 0.009 0.000 0.263 5 D C -1.432 174.907 176.300 0.065 0.000 1.255 5 D CA -1.649 52.397 54.000 0.076 0.000 0.914 5 D CB 0.757 41.628 40.800 0.118 0.000 1.116 5 D HN 0.144 nan 8.370 nan 0.000 0.502 6 P HA -0.145 nan 4.420 nan 0.000 0.223 6 P C 0.949 178.256 177.300 0.012 0.000 1.144 6 P CA 0.682 63.796 63.100 0.024 0.000 0.783 6 P CB 0.471 32.176 31.700 0.008 0.000 0.771 7 Q N -0.732 119.063 119.800 -0.008 0.000 2.451 7 Q HA 0.130 4.475 4.340 0.009 0.000 0.206 7 Q C 1.675 177.725 176.000 0.084 0.000 0.947 7 Q CA 0.568 56.333 55.803 -0.064 0.000 0.937 7 Q CB 0.053 28.568 28.738 -0.372 0.000 1.025 7 Q HN 0.417 nan 8.270 nan 0.000 0.511 8 L N 0.072 121.377 121.223 0.138 0.000 2.728 8 L HA 0.257 4.603 4.340 0.009 0.000 0.238 8 L C 0.033 177.092 176.870 0.314 0.000 1.143 8 L CA -0.006 54.960 54.840 0.210 0.000 0.937 8 L CB 0.424 42.521 42.059 0.064 0.000 1.225 8 L HN -0.073 nan 8.230 nan 0.000 0.507 9 L N 1.030 122.378 121.223 0.207 0.000 2.277 9 L HA 0.511 4.856 4.340 0.009 0.000 0.284 9 L C -0.634 176.275 176.870 0.064 0.000 1.028 9 L CA -0.388 54.546 54.840 0.157 0.000 0.835 9 L CB 1.641 43.752 42.059 0.087 0.000 1.215 9 L HN -0.192 nan 8.230 nan 0.000 0.425 10 V N 3.229 123.151 119.914 0.014 0.000 2.864 10 V HA 0.535 4.661 4.120 0.009 0.000 0.314 10 V C -0.290 175.711 176.094 -0.155 0.000 1.073 10 V CA -0.799 61.351 62.300 -0.251 0.000 0.956 10 V CB 2.770 34.119 31.823 -0.790 0.000 1.023 10 V HN 0.715 nan 8.190 nan 0.000 0.435 11 R N 2.053 122.432 120.500 -0.202 0.000 2.445 11 R HA 0.809 5.154 4.340 0.009 0.000 0.308 11 R C -1.001 175.205 176.300 -0.156 0.000 0.961 11 R CA -0.347 55.683 56.100 -0.116 0.000 0.862 11 R CB 1.844 32.080 30.300 -0.107 0.000 1.144 11 R HN 0.700 nan 8.270 nan 0.000 0.447 12 V N 1.734 121.618 119.914 -0.049 0.000 3.181 12 V HA 0.517 4.643 4.120 0.009 0.000 0.314 12 V C 1.051 177.074 176.094 -0.119 0.000 1.173 12 V CA -1.010 61.253 62.300 -0.061 0.000 1.052 12 V CB 1.657 33.573 31.823 0.155 0.000 1.123 12 V HN 0.863 nan 8.190 nan 0.000 0.454 13 R N 1.300 121.714 120.500 -0.145 0.000 2.170 13 R HA -0.012 4.334 4.340 0.009 0.000 0.242 13 R C 1.596 177.766 176.300 -0.216 0.000 1.145 13 R CA 2.394 58.403 56.100 -0.152 0.000 0.984 13 R CB -1.020 29.207 30.300 -0.121 0.000 0.869 13 R HN 1.058 nan 8.270 nan 0.000 0.455 14 G N -2.216 106.395 108.800 -0.315 0.000 3.126 14 G HA2 0.462 4.427 3.960 0.009 0.000 0.224 14 G HA3 0.462 4.427 3.960 0.009 0.000 0.224 14 G C 0.243 174.158 174.900 -1.643 0.000 1.142 14 G CA 0.187 44.845 45.100 -0.736 0.000 0.759 14 G HN 0.690 nan 8.290 nan 0.000 0.550 15 G N -0.789 107.354 108.800 -1.095 0.000 2.332 15 G HA2 0.203 4.169 3.960 0.009 0.000 0.265 15 G HA3 0.203 4.169 3.960 0.009 0.000 0.265 15 G C -1.520 173.326 174.900 -0.090 0.000 1.329 15 G CA -0.918 43.654 45.100 -0.880 0.000 0.949 15 G HN 0.236 nan 8.290 nan 0.000 0.476 16 Q N -0.413 119.528 119.800 0.235 0.000 2.245 16 Q HA 0.716 5.062 4.340 0.009 0.000 0.256 16 Q C -0.733 175.548 176.000 0.467 0.000 0.942 16 Q CA -0.457 55.524 55.803 0.296 0.000 0.896 16 Q CB 2.008 30.855 28.738 0.182 0.000 1.272 16 Q HN 0.434 nan 8.270 nan 0.000 0.442 17 L N 1.955 123.377 121.223 0.332 0.000 2.362 17 L HA 0.573 4.919 4.340 0.009 0.000 0.275 17 L C -0.408 176.670 176.870 0.345 0.000 0.998 17 L CA -0.665 54.389 54.840 0.357 0.000 0.820 17 L CB 1.975 44.282 42.059 0.413 0.000 1.270 17 L HN 0.396 nan 8.230 nan 0.000 0.415 18 R N 1.300 121.963 120.500 0.272 0.000 2.255 18 R HA 0.607 4.952 4.340 0.009 0.000 0.326 18 R C -0.049 176.336 176.300 0.141 0.000 0.986 18 R CA -0.241 55.981 56.100 0.204 0.000 0.847 18 R CB 1.572 31.930 30.300 0.096 0.000 1.111 18 R HN 0.843 nan 8.270 nan 0.000 0.452 19 G N 3.268 112.051 108.800 -0.029 0.000 2.583 19 G HA2 0.468 4.434 3.960 0.009 0.000 0.280 19 G HA3 0.468 4.434 3.960 0.009 0.000 0.280 19 G C -0.952 173.716 174.900 -0.388 0.000 1.376 19 G CA -0.640 44.080 45.100 -0.633 0.000 1.043 19 G HN 0.580 nan 8.290 nan 0.000 0.538 20 I N -0.720 119.581 120.570 -0.450 0.000 2.619 20 I HA 0.468 4.644 4.170 0.009 0.000 0.292 20 I C -0.128 175.867 176.117 -0.204 0.000 1.100 20 I CA -1.058 60.090 61.300 -0.253 0.000 1.043 20 I CB 2.080 39.945 38.000 -0.226 0.000 1.239 20 I HN 0.434 nan 8.210 nan 0.000 0.420 21 R N 7.603 128.028 120.500 -0.124 0.000 2.316 21 R HA 0.465 4.810 4.340 0.009 0.000 0.314 21 R C -1.593 174.605 176.300 -0.170 0.000 1.069 21 R CA -0.170 55.833 56.100 -0.161 0.000 0.959 21 R CB 0.468 30.613 30.300 -0.259 0.000 0.987 21 R HN 0.622 nan 8.270 nan 0.000 0.446 22 L N 3.753 124.891 121.223 -0.142 0.000 2.334 22 L HA 0.399 4.745 4.340 0.009 0.000 0.273 22 L C -0.327 176.472 176.870 -0.118 0.000 1.013 22 L CA -1.109 53.668 54.840 -0.104 0.000 0.816 22 L CB 1.850 43.888 42.059 -0.036 0.000 1.278 22 L HN 0.499 nan 8.230 nan 0.000 0.431 23 K N 2.400 122.739 120.400 -0.102 0.000 2.262 23 K HA 0.623 4.948 4.320 0.009 0.000 0.282 23 K C -0.696 175.851 176.600 -0.089 0.000 1.066 23 K CA -0.128 56.103 56.287 -0.093 0.000 0.901 23 K CB 1.330 33.786 32.500 -0.073 0.000 1.089 23 K HN 0.604 nan 8.250 nan 0.000 0.476 24 A N 5.478 128.246 122.820 -0.086 0.000 2.288 24 A HA 0.557 4.883 4.320 0.009 0.000 0.328 24 A C -1.874 175.716 177.584 0.011 0.000 1.123 24 A CA -1.808 50.179 52.037 -0.084 0.000 0.861 24 A CB 0.513 19.436 19.000 -0.128 0.000 1.272 24 A HN 0.704 nan 8.150 nan 0.000 0.490 25 P HA -0.105 nan 4.420 nan 0.000 0.215 25 P C 1.298 178.628 177.300 0.049 0.000 1.157 25 P CA 2.086 65.237 63.100 0.084 0.000 0.874 25 P CB 0.128 31.902 31.700 0.124 0.000 0.790 26 G N -2.123 106.709 108.800 0.053 0.000 3.088 26 G HA2 0.432 4.398 3.960 0.009 0.000 0.212 26 G HA3 0.432 4.398 3.960 0.009 0.000 0.212 26 G C 0.533 175.448 174.900 0.026 0.000 1.173 26 G CA 0.455 45.577 45.100 0.036 0.000 0.779 26 G HN 0.626 nan 8.290 nan 0.000 0.540 27 G N -0.457 108.350 108.800 0.012 0.000 2.359 27 G HA2 0.265 4.231 3.960 0.009 0.000 0.303 27 G HA3 0.265 4.231 3.960 0.009 0.000 0.303 27 G C -3.327 171.555 174.900 -0.030 0.000 1.293 27 G CA -0.640 44.458 45.100 -0.003 0.000 0.964 27 G HN 0.086 nan 8.290 nan 0.000 0.531 28 P HA 0.530 nan 4.420 nan 0.000 0.277 28 P C -0.052 177.232 177.300 -0.026 0.000 1.240 28 P CA -0.157 62.849 63.100 -0.156 0.000 0.798 28 P CB 1.617 33.050 31.700 -0.446 0.000 0.979 29 V N -1.592 118.315 119.914 -0.012 0.000 2.962 29 V HA 0.592 4.718 4.120 0.009 0.000 0.313 29 V C -0.303 175.899 176.094 0.181 0.000 1.099 29 V CA -0.910 61.477 62.300 0.145 0.000 0.971 29 V CB 1.738 33.654 31.823 0.155 0.000 1.028 29 V HN 0.428 nan 8.190 nan 0.000 0.430 30 S N 2.306 118.180 115.700 0.289 0.000 2.489 30 S HA 0.799 5.274 4.470 0.009 0.000 0.277 30 S C 0.131 174.751 174.600 0.033 0.000 1.230 30 S CA 0.074 58.385 58.200 0.185 0.000 1.053 30 S CB 1.055 64.451 63.200 0.326 0.000 0.955 30 S HN 1.558 nan 8.310 nan 0.000 0.488 31 A N 3.072 125.723 122.820 -0.281 0.000 2.330 31 A HA 0.782 5.108 4.320 0.009 0.000 0.313 31 A C -1.091 176.066 177.584 -0.711 0.000 1.124 31 A CA -0.643 51.093 52.037 -0.501 0.000 0.774 31 A CB 0.423 19.084 19.000 -0.565 0.000 1.198 31 A HN 0.684 nan 8.150 nan 0.000 0.465 32 F N 2.926 122.692 119.950 -0.306 0.000 2.366 32 F HA 0.472 5.005 4.527 0.009 0.000 0.366 32 F C -0.122 175.483 175.800 -0.325 0.000 1.096 32 F CA -0.284 57.612 58.000 -0.173 0.000 1.060 32 F CB 1.244 40.294 39.000 0.083 0.000 1.282 32 F HN 0.352 nan 8.300 nan 0.000 0.450 33 L N 2.091 123.156 121.223 -0.263 0.000 2.331 33 L HA 0.685 5.031 4.340 0.009 0.000 0.275 33 L C 0.945 177.719 176.870 -0.160 0.000 1.022 33 L CA -1.047 53.576 54.840 -0.361 0.000 0.812 33 L CB 1.673 43.312 42.059 -0.700 0.000 1.257 33 L HN 0.809 nan 8.230 nan 0.000 0.435 34 G N 2.924 111.694 108.800 -0.050 0.000 2.295 34 G HA2 -0.263 3.703 3.960 0.009 0.000 0.287 34 G HA3 -0.263 3.703 3.960 0.009 0.000 0.287 34 G C -0.112 174.862 174.900 0.123 0.000 1.055 34 G CA -0.250 44.862 45.100 0.020 0.000 0.922 34 G HN 0.476 nan 8.290 nan 0.000 0.503 35 I N 2.022 122.644 120.570 0.087 0.000 2.452 35 I HA 0.223 4.399 4.170 0.009 0.000 0.287 35 I C -1.407 174.747 176.117 0.061 0.000 1.079 35 I CA -2.071 59.252 61.300 0.038 0.000 1.387 35 I CB 0.961 38.932 38.000 -0.047 0.000 1.404 35 I HN -0.010 nan 8.210 nan 0.000 0.522 36 P HA 0.050 nan 4.420 nan 0.000 0.276 36 P C -0.171 177.076 177.300 -0.088 0.000 1.235 36 P CA 0.006 62.926 63.100 -0.300 0.000 0.772 36 P CB 0.459 31.956 31.700 -0.337 0.000 0.871 37 F N 1.063 120.853 119.950 -0.268 0.000 2.706 37 F HA 0.695 5.228 4.527 0.010 0.000 0.308 37 F C 0.282 176.077 175.800 -0.009 0.000 1.095 37 F CA -0.607 57.318 58.000 -0.124 0.000 1.244 37 F CB 0.271 39.124 39.000 -0.245 0.000 1.063 37 F HN 0.280 nan 8.300 nan 0.000 0.582 38 A N 0.246 122.727 122.820 -0.566 0.000 2.556 38 A HA 0.566 4.892 4.320 0.009 0.000 0.294 38 A C -0.792 176.603 177.584 -0.316 0.000 1.091 38 A CA -0.772 51.014 52.037 -0.419 0.000 0.704 38 A CB 1.052 19.678 19.000 -0.623 0.000 1.300 38 A HN 0.056 nan 8.150 nan 0.000 0.406 39 E N 1.202 121.301 120.200 -0.168 0.000 2.392 39 E HA 0.231 4.587 4.350 0.009 0.000 0.264 39 E C -2.320 174.179 176.600 -0.169 0.000 1.024 39 E CA -1.353 54.974 56.400 -0.122 0.000 0.903 39 E CB 0.098 29.765 29.700 -0.055 0.000 0.963 39 E HN 0.239 nan 8.360 nan 0.000 0.432 40 P HA 0.008 nan 4.420 nan 0.000 0.262 40 P C -2.203 175.036 177.300 -0.101 0.000 1.199 40 P CA -0.788 62.235 63.100 -0.128 0.000 0.763 40 P CB -0.040 31.625 31.700 -0.058 0.000 0.790 41 P HA -0.013 nan 4.420 nan 0.000 0.225 41 P C -0.073 177.175 177.300 -0.087 0.000 1.768 41 P CA 0.163 63.209 63.100 -0.090 0.000 0.943 41 P CB -0.221 31.427 31.700 -0.087 0.000 1.936 42 V N -2.946 116.924 119.914 -0.074 0.000 3.211 42 V HA 0.865 4.991 4.120 0.009 0.000 0.319 42 V C 1.191 177.246 176.094 -0.065 0.000 1.096 42 V CA 0.154 62.411 62.300 -0.072 0.000 1.029 42 V CB 0.496 32.287 31.823 -0.053 0.000 1.137 42 V HN 0.504 nan 8.190 nan 0.000 0.453 43 G N 1.875 110.638 108.800 -0.061 0.000 2.660 43 G HA2 -0.379 3.586 3.960 0.009 0.000 0.321 43 G HA3 -0.379 3.586 3.960 0.009 0.000 0.321 43 G C 1.259 176.132 174.900 -0.045 0.000 1.246 43 G CA 2.038 47.113 45.100 -0.043 0.000 1.000 43 G HN 2.345 nan 8.290 nan 0.000 0.550 44 S N 0.502 116.189 115.700 -0.023 0.000 2.547 44 S HA 0.073 4.548 4.470 0.009 0.000 0.235 44 S C 1.870 176.462 174.600 -0.014 0.000 0.980 44 S CA 1.521 59.716 58.200 -0.008 0.000 0.941 44 S CB -0.014 63.189 63.200 0.004 0.000 0.763 44 S HN 0.660 nan 8.310 nan 0.000 0.532 45 R N 0.767 121.243 120.500 -0.039 0.000 2.312 45 R HA 0.232 4.578 4.340 0.009 0.000 0.205 45 R C 0.858 177.109 176.300 -0.082 0.000 0.904 45 R CA -0.220 55.855 56.100 -0.041 0.000 1.052 45 R CB 0.002 30.278 30.300 -0.040 0.000 1.014 45 R HN 0.414 nan 8.270 nan 0.000 0.503 46 R N 0.932 121.331 120.500 -0.168 0.000 2.522 46 R HA -0.111 4.234 4.340 0.009 0.000 0.284 46 R C -0.304 175.722 176.300 -0.457 0.000 1.032 46 R CA 0.637 56.498 56.100 -0.399 0.000 1.049 46 R CB 0.123 30.071 30.300 -0.587 0.000 0.956 46 R HN 0.080 nan 8.270 nan 0.000 0.422 47 F N -0.741 119.207 119.950 -0.003 0.000 2.590 47 F HA -0.290 4.242 4.527 0.009 0.000 0.471 47 F C 0.195 175.973 175.800 -0.036 0.000 0.551 47 F CA 0.503 58.476 58.000 -0.046 0.000 1.228 47 F CB -1.438 37.522 39.000 -0.067 0.000 1.862 47 F HN 0.444 nan 8.300 nan 0.000 0.271 48 M N 1.739 121.391 119.600 0.088 0.000 2.255 48 M HA 0.350 4.836 4.480 0.009 0.000 0.336 48 M C -1.796 174.523 176.300 0.032 0.000 1.135 48 M CA -1.545 53.789 55.300 0.057 0.000 1.145 48 M CB 0.077 32.699 32.600 0.035 0.000 1.473 48 M HN -0.327 nan 8.290 nan 0.000 0.462 49 P HA 0.018 nan 4.420 nan 0.000 0.266 49 P C -2.386 174.932 177.300 0.030 0.000 1.186 49 P CA -0.332 62.794 63.100 0.043 0.000 0.767 49 P CB -0.448 31.286 31.700 0.056 0.000 0.820 50 P HA 0.140 nan 4.420 nan 0.000 0.276 50 P C -0.621 176.695 177.300 0.027 0.000 1.235 50 P CA 0.158 63.267 63.100 0.014 0.000 0.772 50 P CB 0.841 32.565 31.700 0.040 0.000 0.871 51 E N 4.341 124.542 120.200 0.001 0.000 2.197 51 E HA 0.311 4.667 4.350 0.009 0.000 0.281 51 E C -2.216 174.394 176.600 0.017 0.000 0.995 51 E CA -2.230 54.180 56.400 0.017 0.000 0.808 51 E CB 0.449 30.155 29.700 0.010 0.000 1.093 51 E HN 0.341 nan 8.360 nan 0.000 0.394 52 P HA -0.101 nan 4.420 nan 0.000 0.265 52 P C -0.586 176.759 177.300 0.077 0.000 1.187 52 P CA 0.062 63.218 63.100 0.094 0.000 0.766 52 P CB 0.387 32.154 31.700 0.112 0.000 0.820 53 K N 3.829 124.291 120.400 0.104 0.000 2.447 53 K HA 0.024 4.350 4.320 0.009 0.000 0.281 53 K C -0.032 176.663 176.600 0.158 0.000 1.031 53 K CA 0.411 56.768 56.287 0.116 0.000 1.019 53 K CB 0.096 32.699 32.500 0.172 0.000 0.918 53 K HN 0.247 nan 8.250 nan 0.000 0.476 54 R N 5.205 125.781 120.500 0.128 0.000 2.438 54 R HA 0.189 4.535 4.340 0.009 0.000 0.287 54 R C -2.041 174.342 176.300 0.138 0.000 1.077 54 R CA -1.664 54.497 56.100 0.102 0.000 1.034 54 R CB 0.398 30.743 30.300 0.075 0.000 0.993 54 R HN 0.578 nan 8.270 nan 0.000 0.459 55 P HA -0.100 nan 4.420 nan 0.000 0.265 55 P C -1.130 176.162 177.300 -0.013 0.000 1.187 55 P CA 0.178 63.187 63.100 -0.152 0.000 0.766 55 P CB 0.283 31.859 31.700 -0.207 0.000 0.820 56 W N 1.656 122.989 121.300 0.054 0.000 2.630 56 W HA 0.722 5.388 4.660 0.009 0.000 0.365 56 W C -0.489 176.055 176.519 0.043 0.000 1.270 56 W CA -0.851 56.524 57.345 0.049 0.000 1.291 56 W CB -0.059 29.438 29.460 0.063 0.000 1.440 56 W HN 0.400 nan 8.180 nan 0.000 0.652 57 S N 0.538 116.420 115.700 0.302 0.000 2.600 57 S HA 0.873 5.349 4.470 0.009 0.000 0.300 57 S C 0.114 174.878 174.600 0.273 0.000 1.087 57 S CA -0.144 58.163 58.200 0.178 0.000 0.965 57 S CB 1.075 64.330 63.200 0.092 0.000 1.089 57 S HN 2.234 nan 8.310 nan 0.000 0.496 58 G N -0.016 108.897 108.800 0.187 0.000 2.681 58 G HA2 -0.087 3.878 3.960 0.009 0.000 0.220 58 G HA3 -0.087 3.878 3.960 0.009 0.000 0.220 58 G C -0.856 174.197 174.900 0.256 0.000 1.353 58 G CA -0.431 44.775 45.100 0.176 0.000 0.872 58 G HN 1.694 nan 8.290 nan 0.000 0.557 59 V N 0.908 120.937 119.914 0.192 0.000 2.348 59 V HA 0.495 4.621 4.120 0.009 0.000 0.270 59 V C 0.998 177.187 176.094 0.159 0.000 1.037 59 V CA -0.260 62.164 62.300 0.207 0.000 0.872 59 V CB 1.076 32.981 31.823 0.138 0.000 1.002 59 V HN 0.813 nan 8.190 nan 0.000 0.464 60 L N 4.691 126.016 121.223 0.169 0.000 2.462 60 L HA 0.197 4.543 4.340 0.009 0.000 0.272 60 L C 0.720 177.587 176.870 -0.005 0.000 1.166 60 L CA 0.356 55.153 54.840 -0.072 0.000 0.880 60 L CB 0.439 42.222 42.059 -0.461 0.000 1.142 60 L HN 0.695 nan 8.230 nan 0.000 0.473 61 D N 4.762 125.138 120.400 -0.040 0.000 2.343 61 D HA 0.169 4.814 4.640 0.009 0.000 0.255 61 D C -0.415 175.852 176.300 -0.056 0.000 1.187 61 D CA 0.069 54.050 54.000 -0.032 0.000 0.875 61 D CB 1.361 42.133 40.800 -0.047 0.000 1.136 61 D HN 0.675 nan 8.370 nan 0.000 0.469 62 A N 3.132 125.938 122.820 -0.023 0.000 3.113 62 A HA 0.200 4.526 4.320 0.009 0.000 0.307 62 A C 0.866 178.362 177.584 -0.148 0.000 1.025 62 A CA -0.444 51.571 52.037 -0.036 0.000 1.012 62 A CB -0.040 19.047 19.000 0.145 0.000 1.085 62 A HN 0.560 nan 8.150 nan 0.000 0.519 63 T N -3.283 111.166 114.554 -0.175 0.000 3.040 63 T HA 0.287 4.643 4.350 0.009 0.000 0.266 63 T C 0.614 175.158 174.700 -0.260 0.000 1.005 63 T CA 0.738 62.704 62.100 -0.223 0.000 0.906 63 T CB -0.163 68.609 68.868 -0.160 0.000 1.082 63 T HN 0.752 nan 8.240 nan 0.000 0.531 64 T N -0.529 113.870 114.554 -0.258 0.000 2.903 64 T HA 0.700 5.056 4.350 0.009 0.000 0.299 64 T C -0.721 173.814 174.700 -0.275 0.000 1.093 64 T CA -0.854 61.088 62.100 -0.263 0.000 1.002 64 T CB 1.032 69.817 68.868 -0.139 0.000 1.127 64 T HN -0.000 nan 8.240 nan 0.000 0.488 65 F N 1.997 121.884 119.950 -0.105 0.000 2.595 65 F HA 0.301 4.834 4.527 0.009 0.000 0.359 65 F C 1.492 177.196 175.800 -0.160 0.000 1.147 65 F CA 0.015 57.953 58.000 -0.104 0.000 1.341 65 F CB 0.420 39.387 39.000 -0.055 0.000 1.104 65 F HN 0.493 nan 8.300 nan 0.000 0.603 66 Q N 1.080 120.893 119.800 0.023 0.000 2.199 66 Q HA 0.246 4.592 4.340 0.009 0.000 0.205 66 Q C -0.235 175.674 176.000 -0.151 0.000 1.001 66 Q CA -0.888 54.767 55.803 -0.247 0.000 1.019 66 Q CB 0.627 28.930 28.738 -0.724 0.000 1.132 66 Q HN 0.514 nan 8.270 nan 0.000 0.530 67 N N -0.138 118.428 118.700 -0.223 0.000 2.329 67 N HA -0.013 4.733 4.740 0.009 0.000 0.237 67 N C -0.534 174.949 175.510 -0.046 0.000 1.258 67 N CA 0.228 53.213 53.050 -0.108 0.000 0.866 67 N CB 0.307 38.748 38.487 -0.078 0.000 1.102 67 N HN 0.168 nan 8.380 nan 0.000 0.440 68 V N 1.562 121.432 119.914 -0.074 0.000 2.567 68 V HA 0.134 4.260 4.120 0.009 0.000 0.289 68 V C 0.644 176.691 176.094 -0.078 0.000 1.049 68 V CA -0.888 61.361 62.300 -0.085 0.000 0.969 68 V CB 1.252 32.989 31.823 -0.143 0.000 0.995 68 V HN 0.712 nan 8.190 nan 0.000 0.471 69 c N 3.724 122.298 118.600 -0.043 0.000 2.679 69 c HA 0.114 4.690 4.570 0.009 0.000 0.417 69 c C 0.475 174.512 174.090 -0.089 0.000 1.302 69 c CA -0.531 55.775 56.329 -0.039 0.000 1.973 69 c CB -0.900 41.619 42.510 0.015 0.000 2.715 69 c HN 0.752 nan 8.230 nan 0.000 0.628 70 Y N 3.590 123.725 120.300 -0.275 0.000 2.632 70 Y HA 0.266 4.822 4.550 0.009 0.000 0.329 70 Y C 0.796 176.665 175.900 -0.052 0.000 1.174 70 Y CA 0.995 58.912 58.100 -0.304 0.000 1.469 70 Y CB 0.122 38.145 38.460 -0.728 0.000 1.242 70 Y HN 0.736 nan 8.280 nan 0.000 0.540 71 Q N 4.129 123.954 119.800 0.042 0.000 2.522 71 Q HA 0.203 4.549 4.340 0.009 0.000 0.285 71 Q C -1.833 174.339 176.000 0.287 0.000 0.982 71 Q CA -1.219 54.750 55.803 0.276 0.000 0.805 71 Q CB 1.218 30.077 28.738 0.201 0.000 1.457 71 Q HN 0.672 nan 8.270 nan 0.000 0.394 72 Y N 1.311 121.817 120.300 0.342 0.000 2.620 72 Y HA 0.283 4.839 4.550 0.009 0.000 0.330 72 Y C -0.900 175.154 175.900 0.258 0.000 1.186 72 Y CA 0.263 58.566 58.100 0.340 0.000 1.467 72 Y CB 0.795 39.566 38.460 0.518 0.000 1.262 72 Y HN 0.437 nan 8.280 nan 0.000 0.550 73 V N 7.338 127.001 119.914 -0.418 0.000 2.370 73 V HA 0.066 4.191 4.120 0.009 0.000 0.279 73 V C -0.084 175.702 176.094 -0.513 0.000 1.029 73 V CA -1.015 61.095 62.300 -0.317 0.000 0.870 73 V CB 1.220 32.925 31.823 -0.197 0.000 0.984 73 V HN 0.760 nan 8.190 nan 0.000 0.451 74 D N 3.814 124.122 120.400 -0.153 0.000 2.417 74 D HA 0.036 4.682 4.640 0.009 0.000 0.250 74 D C 0.981 177.293 176.300 0.021 0.000 1.166 74 D CA 0.403 54.423 54.000 0.035 0.000 0.881 74 D CB 1.662 42.635 40.800 0.289 0.000 1.164 74 D HN 0.724 nan 8.370 nan 0.000 0.467 75 T N 1.497 116.062 114.554 0.019 0.000 2.975 75 T HA -0.024 4.332 4.350 0.009 0.000 0.257 75 T C 1.936 176.638 174.700 0.003 0.000 1.003 75 T CA -0.403 61.703 62.100 0.011 0.000 0.932 75 T CB 0.152 69.005 68.868 -0.026 0.000 1.087 75 T HN 0.253 nan 8.240 nan 0.000 0.512 76 L N 1.112 122.331 121.223 -0.006 0.000 2.054 76 L HA -0.125 4.221 4.340 0.009 0.000 0.220 76 L C -0.184 176.375 176.870 -0.518 0.000 1.081 76 L CA 1.809 56.470 54.840 -0.298 0.000 0.780 76 L CB -0.559 41.240 42.059 -0.432 0.000 0.893 76 L HN 0.437 nan 8.230 nan 0.000 0.438 77 Y N -0.830 119.508 120.300 0.063 0.000 2.749 77 Y HA 0.426 4.982 4.550 0.009 0.000 0.343 77 Y C -2.149 173.796 175.900 0.076 0.000 1.015 77 Y CA -3.377 54.732 58.100 0.016 0.000 1.270 77 Y CB -0.057 38.356 38.460 -0.079 0.000 1.097 77 Y HN 0.032 nan 8.280 nan 0.000 0.571 78 P HA 0.078 nan 4.420 nan 0.000 0.264 78 P C 1.048 178.410 177.300 0.103 0.000 1.183 78 P CA 1.645 64.802 63.100 0.094 0.000 0.763 78 P CB 0.774 32.501 31.700 0.045 0.000 0.807 79 G N 2.083 110.927 108.800 0.075 0.000 2.234 79 G HA2 -0.290 3.675 3.960 0.009 0.000 0.260 79 G HA3 -0.290 3.675 3.960 0.009 0.000 0.260 79 G C -0.041 174.904 174.900 0.075 0.000 0.987 79 G CA -0.297 44.833 45.100 0.050 0.000 0.625 79 G HN 0.544 nan 8.290 nan 0.000 0.532 80 F N 2.195 122.101 119.950 -0.073 0.000 2.404 80 F HA 0.630 5.162 4.527 0.009 0.000 0.358 80 F C 1.316 177.014 175.800 -0.170 0.000 1.120 80 F CA -0.705 57.202 58.000 -0.155 0.000 1.144 80 F CB 1.374 40.257 39.000 -0.194 0.000 1.133 80 F HN 0.190 nan 8.300 nan 0.000 0.495 81 E N 4.091 123.885 120.200 -0.677 0.000 2.097 81 E HA -0.135 4.221 4.350 0.009 0.000 0.196 81 E C 2.199 178.303 176.600 -0.827 0.000 1.000 81 E CA 2.040 58.059 56.400 -0.634 0.000 0.804 81 E CB -0.506 28.907 29.700 -0.480 0.000 0.740 81 E HN 0.915 nan 8.360 nan 0.000 0.454 82 G N -0.840 106.966 108.800 -1.658 0.000 2.485 82 G HA2 -0.330 3.636 3.960 0.009 0.000 0.221 82 G HA3 -0.330 3.636 3.960 0.009 0.000 0.221 82 G C 1.684 176.565 174.900 -0.032 0.000 1.115 82 G CA 1.721 46.149 45.100 -1.121 0.000 0.751 82 G HN 0.509 nan 8.290 nan 0.000 0.567 83 T N -2.455 112.036 114.554 -0.105 0.000 3.023 83 T HA 0.179 4.535 4.350 0.009 0.000 0.249 83 T C 1.872 176.725 174.700 0.256 0.000 1.050 83 T CA 0.675 63.056 62.100 0.467 0.000 1.088 83 T CB 0.153 69.384 68.868 0.605 0.000 0.946 83 T HN 0.229 nan 8.240 nan 0.000 0.480 84 E N 2.387 122.580 120.200 -0.010 0.000 2.112 84 E HA -0.044 4.311 4.350 0.009 0.000 0.190 84 E C 2.321 178.821 176.600 -0.167 0.000 0.979 84 E CA 1.243 57.608 56.400 -0.058 0.000 0.814 84 E CB -0.474 29.164 29.700 -0.104 0.000 0.762 84 E HN 0.745 nan 8.360 nan 0.000 0.460 85 M N -1.411 117.984 119.600 -0.342 0.000 2.331 85 M HA -0.147 4.338 4.480 0.009 0.000 0.260 85 M C 1.319 177.237 176.300 -0.638 0.000 1.072 85 M CA 1.716 56.665 55.300 -0.585 0.000 1.065 85 M CB -0.705 31.401 32.600 -0.824 0.000 1.392 85 M HN 0.047 nan 8.290 nan 0.000 0.427 86 W N 0.741 121.977 121.300 -0.107 0.000 3.211 86 W HA 0.274 4.939 4.660 0.009 0.000 0.292 86 W C 0.381 176.831 176.519 -0.116 0.000 1.268 86 W CA -1.062 56.210 57.345 -0.122 0.000 1.702 86 W CB -0.002 29.444 29.460 -0.023 0.000 1.092 86 W HN 0.114 nan 8.180 nan 0.000 0.643 87 N N 1.339 120.079 118.700 0.067 0.000 2.513 87 N HA 0.177 4.923 4.740 0.009 0.000 0.274 87 N C -2.425 173.038 175.510 -0.077 0.000 1.189 87 N CA -1.720 51.338 53.050 0.013 0.000 0.975 87 N CB 0.151 38.642 38.487 0.005 0.000 1.157 87 N HN -0.358 nan 8.380 nan 0.000 0.465 88 P HA 0.006 nan 4.420 nan 0.000 0.263 88 P C -0.085 177.132 177.300 -0.138 0.000 1.175 88 P CA 0.421 63.439 63.100 -0.136 0.000 0.761 88 P CB 0.191 31.806 31.700 -0.142 0.000 0.794 89 N N 0.899 119.504 118.700 -0.159 0.000 2.197 89 N HA 0.144 4.890 4.740 0.009 0.000 0.228 89 N C 0.148 175.590 175.510 -0.114 0.000 1.212 89 N CA -0.626 52.337 53.050 -0.144 0.000 0.883 89 N CB 0.536 38.915 38.487 -0.180 0.000 1.107 89 N HN 0.062 nan 8.380 nan 0.000 0.519 90 R N 0.547 120.978 120.500 -0.115 0.000 2.781 90 R HA 0.251 4.597 4.340 0.009 0.000 0.269 90 R C -0.974 175.263 176.300 -0.104 0.000 1.025 90 R CA -0.725 55.322 56.100 -0.089 0.000 0.914 90 R CB 0.835 31.093 30.300 -0.070 0.000 1.236 90 R HN 0.247 nan 8.270 nan 0.000 0.465 91 E N 1.406 121.551 120.200 -0.092 0.000 2.502 91 E HA -0.023 4.333 4.350 0.009 0.000 0.261 91 E C -0.473 176.051 176.600 -0.127 0.000 0.974 91 E CA 0.088 56.429 56.400 -0.098 0.000 0.936 91 E CB 0.507 30.164 29.700 -0.072 0.000 0.926 91 E HN 0.258 nan 8.360 nan 0.000 0.459 92 L N 3.879 124.990 121.223 -0.186 0.000 2.313 92 L HA 0.212 4.558 4.340 0.009 0.000 0.282 92 L C 0.227 177.021 176.870 -0.128 0.000 1.092 92 L CA -0.018 54.637 54.840 -0.308 0.000 0.831 92 L CB 0.996 42.641 42.059 -0.690 0.000 1.159 92 L HN 0.410 nan 8.230 nan 0.000 0.442 93 S N 1.682 117.368 115.700 -0.023 0.000 2.537 93 S HA 0.213 4.689 4.470 0.009 0.000 0.271 93 S C 0.314 174.940 174.600 0.044 0.000 1.148 93 S CA -0.692 57.566 58.200 0.095 0.000 0.868 93 S CB 1.773 64.992 63.200 0.031 0.000 1.115 93 S HN 0.739 nan 8.310 nan 0.000 0.461 94 E N 0.986 121.176 120.200 -0.016 0.000 2.268 94 E HA -0.070 4.286 4.350 0.009 0.000 0.195 94 E C -0.305 176.259 176.600 -0.060 0.000 0.995 94 E CA 0.590 56.906 56.400 -0.141 0.000 0.836 94 E CB 0.135 29.713 29.700 -0.204 0.000 0.763 94 E HN 0.572 nan 8.360 nan 0.000 0.491 95 D N -0.053 120.347 120.400 0.000 0.000 2.483 95 D HA -0.002 4.644 4.640 0.009 0.000 0.220 95 D C 0.065 176.477 176.300 0.187 0.000 1.173 95 D CA -0.265 53.771 54.000 0.061 0.000 0.964 95 D CB 0.077 40.922 40.800 0.075 0.000 1.046 95 D HN 0.136 nan 8.370 nan 0.000 0.517 96 c N 2.260 120.962 118.600 0.170 0.000 3.911 96 c HA 0.362 4.938 4.570 0.009 0.000 0.318 96 c C 0.875 175.150 174.090 0.308 0.000 1.643 96 c CA -0.597 55.893 56.329 0.269 0.000 1.845 96 c CB -1.182 41.392 42.510 0.107 0.000 2.981 96 c HN 0.441 nan 8.230 nan 0.000 0.656 97 L N 2.573 123.738 121.223 -0.096 0.000 2.382 97 L HA 0.318 4.664 4.340 0.009 0.000 0.259 97 L C -0.783 175.651 176.870 -0.727 0.000 1.291 97 L CA 0.625 55.194 54.840 -0.453 0.000 1.176 97 L CB -0.851 40.728 42.059 -0.799 0.000 1.373 97 L HN 0.439 nan 8.230 nan 0.000 0.426 98 Y N 1.526 121.926 120.300 0.167 0.000 2.602 98 Y HA 0.688 5.243 4.550 0.009 0.000 0.342 98 Y C -0.028 176.089 175.900 0.362 0.000 1.029 98 Y CA -1.284 56.953 58.100 0.228 0.000 1.080 98 Y CB 1.867 40.367 38.460 0.067 0.000 1.284 98 Y HN 0.145 nan 8.280 nan 0.000 0.485 99 L N -0.562 120.824 121.223 0.271 0.000 2.341 99 L HA 0.752 5.098 4.340 0.009 0.000 0.254 99 L C -1.456 175.395 176.870 -0.033 0.000 1.040 99 L CA -1.275 53.580 54.840 0.025 0.000 0.837 99 L CB 1.692 43.544 42.059 -0.345 0.000 1.425 99 L HN 0.493 nan 8.230 nan 0.000 0.414 100 N N -0.137 118.542 118.700 -0.035 0.000 2.240 100 N HA 0.757 5.503 4.740 0.009 0.000 0.302 100 N C -1.541 173.857 175.510 -0.186 0.000 1.106 100 N CA -0.430 52.524 53.050 -0.159 0.000 0.778 100 N CB 2.933 41.344 38.487 -0.128 0.000 1.431 100 N HN 0.502 nan 8.380 nan 0.000 0.479 101 V N 1.342 121.069 119.914 -0.312 0.000 2.577 101 V HA 0.457 4.582 4.120 0.009 0.000 0.303 101 V C -0.957 175.038 176.094 -0.165 0.000 1.042 101 V CA -0.747 61.454 62.300 -0.165 0.000 0.872 101 V CB 2.363 33.946 31.823 -0.400 0.000 0.998 101 V HN 0.563 nan 8.190 nan 0.000 0.423 102 W N 3.224 124.603 121.300 0.131 0.000 2.532 102 W HA 0.650 5.316 4.660 0.010 0.000 0.321 102 W C 0.104 176.719 176.519 0.159 0.000 1.037 102 W CA -0.421 57.009 57.345 0.142 0.000 1.220 102 W CB 2.423 31.951 29.460 0.113 0.000 1.361 102 W HN 0.657 nan 8.180 nan 0.000 0.468 103 T N 0.567 115.361 114.554 0.400 0.000 2.906 103 T HA 0.539 4.895 4.350 0.009 0.000 0.295 103 T C -2.703 172.171 174.700 0.289 0.000 1.075 103 T CA -2.494 59.801 62.100 0.325 0.000 1.005 103 T CB 2.356 71.436 68.868 0.352 0.000 1.136 103 T HN -0.100 nan 8.240 nan 0.000 0.498 104 P HA 0.100 nan 4.420 nan 0.000 0.271 104 P C -1.496 175.956 177.300 0.252 0.000 1.228 104 P CA 0.033 63.255 63.100 0.203 0.000 0.797 104 P CB 0.097 31.885 31.700 0.147 0.000 0.914 105 Y N 1.369 121.724 120.300 0.092 0.000 2.354 105 Y HA 0.405 4.960 4.550 0.009 0.000 0.330 105 Y C -2.308 173.628 175.900 0.059 0.000 1.011 105 Y CA -2.383 55.764 58.100 0.079 0.000 1.099 105 Y CB 1.312 39.807 38.460 0.059 0.000 1.179 105 Y HN 0.308 nan 8.280 nan 0.000 0.442 106 P HA 0.246 nan 4.420 nan 0.000 0.274 106 P C -0.901 176.360 177.300 -0.066 0.000 1.246 106 P CA -0.389 62.529 63.100 -0.304 0.000 0.795 106 P CB 1.110 32.666 31.700 -0.239 0.000 1.006 107 R N 1.307 121.778 120.500 -0.048 0.000 2.640 107 R HA 0.123 4.469 4.340 0.009 0.000 0.270 107 R C -1.626 174.700 176.300 0.043 0.000 1.024 107 R CA -0.908 55.227 56.100 0.059 0.000 1.085 107 R CB -0.768 29.582 30.300 0.084 0.000 0.963 107 R HN 0.483 nan 8.270 nan 0.000 0.426 108 P HA -0.032 nan 4.420 nan 0.000 0.269 108 P C -0.207 177.112 177.300 0.031 0.000 1.215 108 P CA 0.093 63.224 63.100 0.051 0.000 0.780 108 P CB 0.806 32.545 31.700 0.065 0.000 0.898 109 A N 2.806 125.638 122.820 0.020 0.000 1.840 109 A HA -0.018 4.308 4.320 0.009 0.000 0.214 109 A C 1.183 178.773 177.584 0.010 0.000 1.198 109 A CA 1.543 53.586 52.037 0.009 0.000 0.608 109 A CB -1.298 17.706 19.000 0.006 0.000 0.839 109 A HN 0.719 nan 8.150 nan 0.000 0.443 110 S N 0.163 115.871 115.700 0.013 0.000 2.610 110 S HA 0.528 5.004 4.470 0.009 0.000 0.273 110 S C -2.875 171.736 174.600 0.018 0.000 1.274 110 S CA -1.539 56.666 58.200 0.010 0.000 1.023 110 S CB 0.468 63.672 63.200 0.007 0.000 0.962 110 S HN 0.137 nan 8.310 nan 0.000 0.523 111 P HA 0.196 nan 4.420 nan 0.000 0.267 111 P C -0.282 177.034 177.300 0.026 0.000 1.205 111 P CA -0.006 63.108 63.100 0.023 0.000 0.765 111 P CB 0.284 31.990 31.700 0.011 0.000 0.828 112 T N 1.056 115.637 114.554 0.045 0.000 2.885 112 T HA 0.534 4.889 4.350 0.009 0.000 0.285 112 T C -2.796 171.936 174.700 0.053 0.000 1.019 112 T CA -3.064 59.063 62.100 0.046 0.000 1.010 112 T CB 1.057 69.961 68.868 0.060 0.000 1.022 112 T HN 0.016 nan 8.240 nan 0.000 0.466 113 P HA 0.147 nan 4.420 nan 0.000 0.261 113 P C -0.736 176.609 177.300 0.076 0.000 1.173 113 P CA -0.188 62.937 63.100 0.041 0.000 0.760 113 P CB 0.308 32.015 31.700 0.012 0.000 0.783 114 V N 5.723 125.699 119.914 0.104 0.000 2.394 114 V HA 0.279 4.405 4.120 0.009 0.000 0.282 114 V C 0.373 176.563 176.094 0.159 0.000 1.031 114 V CA -0.404 61.982 62.300 0.143 0.000 0.881 114 V CB 1.086 33.007 31.823 0.163 0.000 0.982 114 V HN 0.365 nan 8.190 nan 0.000 0.451 115 L N 6.114 127.446 121.223 0.181 0.000 2.287 115 L HA 0.576 4.922 4.340 0.009 0.000 0.287 115 L C -0.501 176.625 176.870 0.427 0.000 1.022 115 L CA -0.200 54.782 54.840 0.237 0.000 0.814 115 L CB 1.454 43.539 42.059 0.044 0.000 1.217 115 L HN 0.507 nan 8.230 nan 0.000 0.420 116 I N 3.068 123.915 120.570 0.461 0.000 2.330 116 I HA 0.185 4.360 4.170 0.009 0.000 0.289 116 I C -0.516 175.853 176.117 0.419 0.000 1.001 116 I CA -0.430 61.105 61.300 0.391 0.000 1.193 116 I CB 1.154 39.264 38.000 0.184 0.000 1.345 116 I HN 0.644 nan 8.210 nan 0.000 0.461 117 W N 8.440 129.804 121.300 0.107 0.000 2.316 117 W HA 0.518 5.183 4.660 0.008 0.000 0.311 117 W C -1.351 175.046 176.519 -0.204 0.000 1.217 117 W CA -0.581 56.589 57.345 -0.293 0.000 1.199 117 W CB 1.079 30.422 29.460 -0.195 0.000 1.202 117 W HN 0.374 nan 8.180 nan 0.000 0.528 118 I N 9.223 129.204 120.570 -0.982 0.000 2.390 118 I HA 0.064 4.240 4.170 0.009 0.000 0.283 118 I C -0.237 175.030 176.117 -1.417 0.000 1.016 118 I CA -1.119 59.620 61.300 -0.935 0.000 1.151 118 I CB 0.540 38.161 38.000 -0.631 0.000 1.293 118 I HN 0.295 nan 8.210 nan 0.000 0.458 119 Y N 4.517 124.223 120.300 -0.990 0.000 2.457 119 Y HA 0.628 5.183 4.550 0.009 0.000 0.341 119 Y C 0.818 176.490 175.900 -0.378 0.000 1.240 119 Y CA -0.760 56.886 58.100 -0.757 0.000 1.437 119 Y CB -0.051 38.218 38.460 -0.319 0.000 1.328 119 Y HN 0.530 nan 8.280 nan 0.000 0.588 120 G N -0.487 108.275 108.800 -0.063 0.000 2.531 120 G HA2 0.474 4.439 3.960 0.009 0.000 0.281 120 G HA3 0.474 4.439 3.960 0.009 0.000 0.281 120 G C 0.380 175.197 174.900 -0.138 0.000 1.382 120 G CA -0.868 44.132 45.100 -0.167 0.000 1.045 120 G HN 1.761 nan 8.290 nan 0.000 0.533 121 G N -2.993 105.543 108.800 -0.439 0.000 2.165 121 G HA2 0.397 4.362 3.960 0.009 0.000 0.144 121 G HA3 0.397 4.362 3.960 0.009 0.000 0.144 121 G C 1.081 175.350 174.900 -1.052 0.000 1.049 121 G CA 0.718 45.431 45.100 -0.645 0.000 0.741 121 G HN 2.346 nan 8.290 nan 0.000 0.493 122 G N -0.566 107.613 108.800 -1.036 0.000 2.166 122 G HA2 -0.124 3.842 3.960 0.009 0.000 0.260 122 G HA3 -0.124 3.842 3.960 0.009 0.000 0.260 122 G C 0.889 175.360 174.900 -0.715 0.000 0.986 122 G CA 0.847 45.052 45.100 -1.492 0.000 0.683 122 G HN 1.796 nan 8.290 nan 0.000 0.527 123 F N -3.403 116.341 119.950 -0.343 0.000 2.840 123 F HA -0.290 4.243 4.527 0.009 0.000 0.310 123 F C 1.376 177.234 175.800 0.096 0.000 0.688 123 F CA 2.021 59.970 58.000 -0.085 0.000 1.286 123 F CB -2.115 36.702 39.000 -0.304 0.000 1.612 123 F HN 0.923 nan 8.300 nan 0.000 0.335 124 Y N -1.391 118.998 120.300 0.148 0.000 2.471 124 Y HA 0.665 5.221 4.550 0.009 0.000 0.249 124 Y C 0.601 176.630 175.900 0.216 0.000 1.116 124 Y CA 0.218 58.449 58.100 0.217 0.000 1.240 124 Y CB -0.021 38.555 38.460 0.194 0.000 1.251 124 Y HN 0.074 nan 8.280 nan 0.000 0.527 125 S N -0.657 114.821 115.700 -0.370 0.000 2.688 125 S HA 0.910 5.386 4.470 0.009 0.000 0.275 125 S C -0.149 174.324 174.600 -0.213 0.000 1.175 125 S CA -0.548 57.525 58.200 -0.212 0.000 0.818 125 S CB 1.610 64.672 63.200 -0.229 0.000 1.157 125 S HN 1.333 nan 8.310 nan 0.000 0.482 126 G N -0.817 107.823 108.800 -0.267 0.000 2.406 126 G HA2 0.552 4.518 3.960 0.009 0.000 0.680 126 G HA3 0.552 4.518 3.960 0.009 0.000 0.680 126 G C -0.776 173.474 174.900 -1.084 0.000 1.338 126 G CA -0.171 44.574 45.100 -0.592 0.000 0.941 126 G HN 2.177 nan 8.290 nan 0.000 0.633 127 A N -1.032 120.957 122.820 -1.385 0.000 2.582 127 A HA 0.971 5.297 4.320 0.009 0.000 0.297 127 A C 0.476 177.823 177.584 -0.394 0.000 1.059 127 A CA 0.587 52.138 52.037 -0.810 0.000 0.705 127 A CB 0.932 19.706 19.000 -0.377 0.000 1.279 127 A HN 2.587 nan 8.150 nan 0.000 0.404 128 A N 0.660 123.482 122.820 0.003 0.000 2.238 128 A HA 0.317 4.642 4.320 0.009 0.000 0.208 128 A C 1.533 179.166 177.584 0.081 0.000 1.177 128 A CA 1.586 53.817 52.037 0.325 0.000 0.804 128 A CB -0.526 18.746 19.000 0.453 0.000 0.823 128 A HN 1.815 nan 8.150 nan 0.000 0.482 129 S N -0.674 114.827 115.700 -0.331 0.000 2.540 129 S HA 0.359 4.834 4.470 0.009 0.000 0.218 129 S C 0.409 174.566 174.600 -0.739 0.000 0.977 129 S CA -0.501 57.020 58.200 -1.133 0.000 0.918 129 S CB -0.545 61.874 63.200 -1.302 0.000 0.806 129 S HN 0.358 nan 8.310 nan 0.000 0.496 130 L N 2.239 123.195 121.223 -0.445 0.000 2.483 130 L HA 0.172 4.518 4.340 0.009 0.000 0.276 130 L C 1.135 177.676 176.870 -0.548 0.000 1.213 130 L CA -0.461 54.062 54.840 -0.529 0.000 0.843 130 L CB 0.174 41.813 42.059 -0.700 0.000 1.107 130 L HN 0.065 nan 8.230 nan 0.000 0.487 131 D N 1.095 121.218 120.400 -0.463 0.000 2.221 131 D HA -0.138 4.507 4.640 0.009 0.000 0.204 131 D C 1.905 177.934 176.300 -0.451 0.000 0.982 131 D CA 1.286 55.074 54.000 -0.353 0.000 0.857 131 D CB 0.014 40.649 40.800 -0.276 0.000 0.934 131 D HN 0.535 nan 8.370 nan 0.000 0.475 132 V N -1.808 117.679 119.914 -0.711 0.000 3.380 132 V HA -0.072 4.054 4.120 0.009 0.000 0.268 132 V C 0.819 176.310 176.094 -1.005 0.000 1.168 132 V CA 0.734 62.580 62.300 -0.757 0.000 1.156 132 V CB -1.012 30.320 31.823 -0.819 0.000 0.785 132 V HN 0.024 nan 8.190 nan 0.000 0.487 133 Y N 0.121 119.865 120.300 -0.927 0.000 2.607 133 Y HA 0.459 5.014 4.550 0.009 0.000 0.266 133 Y C 0.806 176.156 175.900 -0.916 0.000 1.178 133 Y CA -2.014 55.196 58.100 -1.483 0.000 1.226 133 Y CB -0.671 37.293 38.460 -0.827 0.000 1.144 133 Y HN 0.232 nan 8.280 nan 0.000 0.528 134 D N 0.814 120.929 120.400 -0.476 0.000 2.382 134 D HA 0.037 4.683 4.640 0.009 0.000 0.259 134 D C 1.409 177.361 176.300 -0.580 0.000 1.224 134 D CA 0.500 54.263 54.000 -0.396 0.000 0.894 134 D CB 1.354 42.051 40.800 -0.171 0.000 1.127 134 D HN 0.489 nan 8.370 nan 0.000 0.487 135 G N 4.077 111.875 108.800 -1.670 0.000 2.744 135 G HA2 -0.191 3.775 3.960 0.009 0.000 0.211 135 G HA3 -0.191 3.775 3.960 0.009 0.000 0.211 135 G C 1.524 175.803 174.900 -1.035 0.000 1.143 135 G CA 0.357 44.671 45.100 -1.311 0.000 0.788 135 G HN 0.622 nan 8.290 nan 0.000 0.534 136 R N -0.534 119.276 120.500 -1.150 0.000 2.096 136 R HA -0.036 4.310 4.340 0.009 0.000 0.235 136 R C 1.801 177.829 176.300 -0.454 0.000 1.127 136 R CA 1.424 57.138 56.100 -0.645 0.000 0.968 136 R CB -0.733 29.217 30.300 -0.583 0.000 0.861 136 R HN 0.310 nan 8.270 nan 0.000 0.440 137 F N 1.482 121.332 119.950 -0.166 0.000 2.163 137 F HA 0.045 4.578 4.527 0.010 0.000 0.297 137 F C 2.299 178.033 175.800 -0.109 0.000 1.094 137 F CA 0.763 58.693 58.000 -0.117 0.000 1.290 137 F CB -0.543 38.380 39.000 -0.130 0.000 1.017 137 F HN -0.122 nan 8.300 nan 0.000 0.483 138 L N -0.315 120.923 121.223 0.025 0.000 2.131 138 L HA -0.180 4.166 4.340 0.009 0.000 0.210 138 L C 2.645 179.515 176.870 0.000 0.000 1.092 138 L CA 1.014 55.831 54.840 -0.038 0.000 0.759 138 L CB -0.830 41.150 42.059 -0.132 0.000 0.903 138 L HN 0.191 nan 8.230 nan 0.000 0.435 139 A N -0.959 121.867 122.820 0.010 0.000 1.854 139 A HA -0.209 4.116 4.320 0.009 0.000 0.214 139 A C 2.266 179.895 177.584 0.076 0.000 1.192 139 A CA 1.207 53.294 52.037 0.083 0.000 0.611 139 A CB -0.509 18.588 19.000 0.161 0.000 0.832 139 A HN 0.326 nan 8.150 nan 0.000 0.442 140 Q N -0.030 119.798 119.800 0.046 0.000 2.084 140 Q HA -0.099 4.246 4.340 0.009 0.000 0.202 140 Q C 2.095 178.127 176.000 0.054 0.000 0.978 140 Q CA 2.100 57.935 55.803 0.053 0.000 0.844 140 Q CB -0.241 28.514 28.738 0.028 0.000 0.898 140 Q HN 0.407 nan 8.270 nan 0.000 0.426 141 V N 0.685 120.628 119.914 0.049 0.000 2.725 141 V HA -0.045 4.081 4.120 0.009 0.000 0.247 141 V C 1.481 177.588 176.094 0.022 0.000 1.058 141 V CA 1.187 63.509 62.300 0.037 0.000 1.080 141 V CB 0.063 31.907 31.823 0.034 0.000 0.713 141 V HN 0.181 nan 8.190 nan 0.000 0.465 142 E N -0.239 119.972 120.200 0.020 0.000 2.526 142 E HA 0.233 4.589 4.350 0.009 0.000 0.208 142 E C 1.649 178.266 176.600 0.028 0.000 0.997 142 E CA 0.678 57.086 56.400 0.013 0.000 0.961 142 E CB 0.751 30.448 29.700 -0.006 0.000 1.030 142 E HN 0.525 nan 8.360 nan 0.000 0.483 143 G N 1.867 110.695 108.800 0.047 0.000 2.179 143 G HA2 -0.325 3.641 3.960 0.009 0.000 0.257 143 G HA3 -0.325 3.641 3.960 0.009 0.000 0.257 143 G C 0.541 175.485 174.900 0.073 0.000 1.010 143 G CA 0.440 45.578 45.100 0.064 0.000 0.736 143 G HN 0.466 nan 8.290 nan 0.000 0.513 144 A N -0.737 122.124 122.820 0.068 0.000 2.371 144 A HA 0.673 4.998 4.320 0.009 0.000 0.257 144 A C 0.555 178.219 177.584 0.133 0.000 1.089 144 A CA 0.145 52.229 52.037 0.078 0.000 0.794 144 A CB 1.084 20.110 19.000 0.043 0.000 1.029 144 A HN 1.114 nan 8.150 nan 0.000 0.488 145 V N 3.288 123.289 119.914 0.146 0.000 2.364 145 V HA 0.320 4.446 4.120 0.009 0.000 0.272 145 V C -0.031 176.195 176.094 0.221 0.000 1.036 145 V CA -0.021 62.395 62.300 0.192 0.000 0.880 145 V CB 0.628 32.555 31.823 0.174 0.000 0.991 145 V HN 0.717 nan 8.190 nan 0.000 0.460 146 L N 6.210 127.618 121.223 0.308 0.000 2.322 146 L HA 0.751 5.097 4.340 0.009 0.000 0.281 146 L C -0.833 176.316 176.870 0.465 0.000 1.014 146 L CA -0.280 54.794 54.840 0.390 0.000 0.815 146 L CB 1.886 44.177 42.059 0.387 0.000 1.247 146 L HN 0.431 nan 8.230 nan 0.000 0.421 147 V N 3.108 123.272 119.914 0.417 0.000 2.588 147 V HA 0.677 4.802 4.120 0.009 0.000 0.304 147 V C -0.529 175.794 176.094 0.381 0.000 1.042 147 V CA -0.443 62.051 62.300 0.323 0.000 0.877 147 V CB 2.051 33.993 31.823 0.199 0.000 0.996 147 V HN 0.846 nan 8.190 nan 0.000 0.425 148 S N 5.308 121.231 115.700 0.371 0.000 2.569 148 S HA 0.926 5.401 4.470 0.009 0.000 0.280 148 S C -0.853 173.877 174.600 0.217 0.000 1.111 148 S CA -0.809 57.616 58.200 0.374 0.000 0.887 148 S CB 2.444 66.003 63.200 0.599 0.000 1.095 148 S HN 0.919 nan 8.310 nan 0.000 0.476 149 M N 1.262 120.961 119.600 0.165 0.000 2.572 149 M HA 0.629 5.115 4.480 0.009 0.000 0.299 149 M C -1.965 174.534 176.300 0.332 0.000 1.205 149 M CA -0.556 54.807 55.300 0.105 0.000 0.876 149 M CB 1.358 33.810 32.600 -0.247 0.000 1.728 149 M HN 0.566 nan 8.290 nan 0.000 0.458 150 N N 2.878 121.839 118.700 0.436 0.000 2.529 150 N HA 0.577 5.323 4.740 0.009 0.000 0.278 150 N C -1.380 174.424 175.510 0.490 0.000 1.146 150 N CA 0.197 53.546 53.050 0.499 0.000 0.980 150 N CB 0.429 39.145 38.487 0.383 0.000 1.124 150 N HN 0.705 nan 8.380 nan 0.000 0.458 151 Y N -1.923 118.555 120.300 0.296 0.000 2.524 151 Y HA 0.564 5.120 4.550 0.009 0.000 0.347 151 Y C -0.129 175.912 175.900 0.236 0.000 1.005 151 Y CA -1.367 56.862 58.100 0.214 0.000 1.025 151 Y CB 0.924 39.439 38.460 0.092 0.000 1.275 151 Y HN 0.205 nan 8.280 nan 0.000 0.460 152 R N 1.963 122.606 120.500 0.239 0.000 2.570 152 R HA 0.471 4.817 4.340 0.009 0.000 0.277 152 R C -0.205 176.263 176.300 0.280 0.000 1.039 152 R CA -0.146 56.059 56.100 0.174 0.000 1.065 152 R CB 0.712 31.091 30.300 0.133 0.000 0.964 152 R HN 0.715 nan 8.270 nan 0.000 0.428 153 V N -0.154 119.953 119.914 0.321 0.000 3.166 153 V HA 0.892 5.018 4.120 0.009 0.000 0.317 153 V C 0.799 177.231 176.094 0.563 0.000 1.136 153 V CA -0.119 62.479 62.300 0.498 0.000 1.035 153 V CB 1.175 33.179 31.823 0.302 0.000 1.110 153 V HN 0.966 nan 8.190 nan 0.000 0.450 154 G N 1.667 110.816 108.800 0.581 0.000 2.564 154 G HA2 -0.288 3.678 3.960 0.009 0.000 0.273 154 G HA3 -0.288 3.678 3.960 0.009 0.000 0.273 154 G C 0.973 176.056 174.900 0.307 0.000 1.242 154 G CA 1.422 46.797 45.100 0.459 0.000 0.951 154 G HN 2.302 nan 8.290 nan 0.000 0.564 155 T N -1.664 112.822 114.554 -0.113 0.000 2.788 155 T HA -0.042 4.314 4.350 0.009 0.000 0.268 155 T C 2.140 176.713 174.700 -0.212 0.000 1.044 155 T CA 2.466 64.237 62.100 -0.548 0.000 1.139 155 T CB -0.374 68.005 68.868 -0.814 0.000 0.867 155 T HN 0.549 nan 8.240 nan 0.000 0.454 156 F N 2.119 122.122 119.950 0.088 0.000 2.216 156 F HA 0.237 4.769 4.527 0.009 0.000 0.300 156 F C 2.677 178.473 175.800 -0.007 0.000 1.085 156 F CA 0.804 58.807 58.000 0.004 0.000 1.326 156 F CB -0.724 38.260 39.000 -0.027 0.000 1.027 156 F HN 0.377 nan 8.300 nan 0.000 0.497 157 G N -2.426 106.472 108.800 0.164 0.000 2.921 157 G HA2 0.084 4.050 3.960 0.009 0.000 0.213 157 G HA3 0.084 4.050 3.960 0.009 0.000 0.213 157 G C 0.867 175.346 174.900 -0.702 0.000 1.143 157 G CA 0.187 45.150 45.100 -0.227 0.000 0.764 157 G HN 0.341 nan 8.290 nan 0.000 0.542 158 F N -0.843 119.184 119.950 0.129 0.000 2.964 158 F HA 0.406 4.939 4.527 0.010 0.000 0.371 158 F C 0.579 176.441 175.800 0.104 0.000 1.026 158 F CA -0.921 57.139 58.000 0.099 0.000 1.106 158 F CB 0.345 39.416 39.000 0.119 0.000 1.135 158 F HN -0.087 nan 8.300 nan 0.000 0.557 159 L N 2.200 123.440 121.223 0.028 0.000 2.540 159 L HA 0.468 4.814 4.340 0.009 0.000 0.276 159 L C -0.116 176.713 176.870 -0.069 0.000 1.212 159 L CA 0.042 54.773 54.840 -0.182 0.000 0.893 159 L CB 0.434 42.067 42.059 -0.710 0.000 1.138 159 L HN 0.123 nan 8.230 nan 0.000 0.491 160 A N 6.054 128.884 122.820 0.017 0.000 2.427 160 A HA 0.639 4.964 4.320 0.009 0.000 0.298 160 A C -1.200 176.364 177.584 -0.033 0.000 1.036 160 A CA -0.609 51.420 52.037 -0.013 0.000 0.701 160 A CB 1.301 20.329 19.000 0.046 0.000 1.250 160 A HN 0.675 nan 8.150 nan 0.000 0.412 161 L N 3.574 124.757 121.223 -0.066 0.000 2.314 161 L HA 0.343 4.689 4.340 0.009 0.000 0.275 161 L C -2.351 174.506 176.870 -0.021 0.000 1.068 161 L CA -1.537 53.276 54.840 -0.046 0.000 0.894 161 L CB 1.173 43.191 42.059 -0.068 0.000 1.275 161 L HN 0.393 nan 8.230 nan 0.000 0.432 162 P HA 0.130 nan 4.420 nan 0.000 0.264 162 P C 0.958 178.259 177.300 0.001 0.000 1.193 162 P CA 0.592 63.694 63.100 0.003 0.000 0.763 162 P CB 1.070 32.773 31.700 0.005 0.000 0.810 163 G N 2.013 110.818 108.800 0.007 0.000 2.284 163 G HA2 -0.249 3.716 3.960 0.009 0.000 0.230 163 G HA3 -0.249 3.716 3.960 0.009 0.000 0.230 163 G C 0.493 175.396 174.900 0.005 0.000 1.021 163 G CA 0.229 45.333 45.100 0.006 0.000 0.619 163 G HN 0.799 nan 8.290 nan 0.000 0.510 164 S N 0.069 115.768 115.700 -0.000 0.000 2.589 164 S HA 0.536 5.011 4.470 0.009 0.000 0.265 164 S C 1.249 175.854 174.600 0.009 0.000 1.342 164 S CA 0.647 58.846 58.200 -0.001 0.000 1.005 164 S CB 1.747 64.938 63.200 -0.015 0.000 0.909 164 S HN 0.524 nan 8.310 nan 0.000 0.555 165 R N 0.101 120.609 120.500 0.012 0.000 2.173 165 R HA 0.065 4.410 4.340 0.009 0.000 0.208 165 R C 0.933 177.251 176.300 0.030 0.000 1.035 165 R CA 1.027 57.139 56.100 0.021 0.000 1.004 165 R CB -0.128 30.183 30.300 0.019 0.000 0.917 165 R HN 0.816 nan 8.270 nan 0.000 0.462 166 E N -0.839 119.378 120.200 0.028 0.000 2.474 166 E HA 0.188 4.544 4.350 0.009 0.000 0.195 166 E C -0.493 176.149 176.600 0.071 0.000 1.039 166 E CA 0.247 56.678 56.400 0.052 0.000 0.881 166 E CB 1.621 31.350 29.700 0.048 0.000 0.970 166 E HN 0.237 nan 8.360 nan 0.000 0.486 167 A N 1.237 124.073 122.820 0.027 0.000 3.200 167 A HA 0.244 4.570 4.320 0.009 0.000 0.274 167 A C -2.318 175.265 177.584 -0.003 0.000 1.220 167 A CA -0.794 51.248 52.037 0.008 0.000 0.904 167 A CB 0.460 19.367 19.000 -0.155 0.000 1.415 167 A HN -0.080 nan 8.150 nan 0.000 0.630 168 P HA 0.179 nan 4.420 nan 0.000 0.241 168 P C 0.985 178.300 177.300 0.026 0.000 1.191 168 P CA 1.678 64.793 63.100 0.026 0.000 0.771 168 P CB 0.152 31.876 31.700 0.040 0.000 0.929 169 G N 1.333 110.144 108.800 0.019 0.000 2.829 169 G HA2 -0.246 3.719 3.960 0.009 0.000 0.628 169 G HA3 -0.246 3.719 3.960 0.009 0.000 0.628 169 G C 0.029 174.918 174.900 -0.019 0.000 1.412 169 G CA -0.246 44.866 45.100 0.021 0.000 0.864 169 G HN 0.192 nan 8.290 nan 0.000 0.544 170 N N -2.317 116.359 118.700 -0.040 0.000 2.661 170 N HA -0.292 4.454 4.740 0.009 0.000 0.249 170 N C 1.860 177.189 175.510 -0.303 0.000 1.142 170 N CA 2.341 55.284 53.050 -0.178 0.000 0.727 170 N CB -1.601 36.736 38.487 -0.250 0.000 1.099 170 N HN 1.918 nan 8.380 nan 0.000 0.558 171 V N -2.692 117.045 119.914 -0.295 0.000 2.626 171 V HA 0.006 4.132 4.120 0.009 0.000 0.252 171 V C 2.314 178.262 176.094 -0.243 0.000 1.067 171 V CA 2.180 64.369 62.300 -0.185 0.000 1.081 171 V CB -0.866 30.905 31.823 -0.087 0.000 0.686 171 V HN 0.265 nan 8.190 nan 0.000 0.468 172 G N 0.596 109.031 108.800 -0.608 0.000 2.442 172 G HA2 -0.180 3.786 3.960 0.009 0.000 0.219 172 G HA3 -0.180 3.786 3.960 0.009 0.000 0.219 172 G C 1.555 176.392 174.900 -0.105 0.000 1.141 172 G CA 1.290 46.169 45.100 -0.369 0.000 0.763 172 G HN 0.547 nan 8.290 nan 0.000 0.554 173 L N -0.215 120.874 121.223 -0.224 0.000 2.156 173 L HA 0.125 4.470 4.340 0.009 0.000 0.208 173 L C 2.770 179.689 176.870 0.082 0.000 1.095 173 L CA 0.243 54.961 54.840 -0.203 0.000 0.770 173 L CB -0.228 41.355 42.059 -0.794 0.000 0.914 173 L HN 0.192 nan 8.230 nan 0.000 0.439 174 L N -0.633 120.641 121.223 0.085 0.000 2.156 174 L HA -0.161 4.184 4.340 0.009 0.000 0.208 174 L C 2.096 179.096 176.870 0.218 0.000 1.095 174 L CA 0.687 55.666 54.840 0.232 0.000 0.770 174 L CB -0.535 41.628 42.059 0.174 0.000 0.914 174 L HN 0.259 nan 8.230 nan 0.000 0.439 175 D N 0.077 120.591 120.400 0.190 0.000 2.097 175 D HA -0.201 4.444 4.640 0.009 0.000 0.195 175 D C 2.255 178.744 176.300 0.315 0.000 0.989 175 D CA 1.173 55.370 54.000 0.328 0.000 0.827 175 D CB -0.175 40.831 40.800 0.343 0.000 0.966 175 D HN 0.381 nan 8.370 nan 0.000 0.456 176 Q N 0.187 120.082 119.800 0.159 0.000 2.030 176 Q HA -0.137 4.209 4.340 0.009 0.000 0.204 176 Q C 2.320 178.316 176.000 -0.005 0.000 0.986 176 Q CA 1.092 56.905 55.803 0.017 0.000 0.843 176 Q CB -0.112 28.640 28.738 0.024 0.000 0.904 176 Q HN 0.187 nan 8.270 nan 0.000 0.420 177 R N 0.524 121.118 120.500 0.156 0.000 2.105 177 R HA -0.190 4.156 4.340 0.009 0.000 0.239 177 R C 2.215 178.584 176.300 0.115 0.000 1.135 177 R CA 1.055 57.227 56.100 0.121 0.000 0.967 177 R CB -0.225 30.247 30.300 0.286 0.000 0.861 177 R HN 0.208 nan 8.270 nan 0.000 0.442 178 L N 0.483 121.820 121.223 0.190 0.000 2.083 178 L HA -0.049 4.297 4.340 0.009 0.000 0.209 178 L C 2.185 179.180 176.870 0.208 0.000 1.083 178 L CA 2.121 57.116 54.840 0.258 0.000 0.752 178 L CB -0.615 41.681 42.059 0.395 0.000 0.899 178 L HN 0.231 nan 8.230 nan 0.000 0.433 179 A N -0.844 121.935 122.820 -0.070 0.000 1.968 179 A HA -0.076 4.250 4.320 0.009 0.000 0.217 179 A C 2.191 179.757 177.584 -0.030 0.000 1.169 179 A CA 1.443 53.269 52.037 -0.350 0.000 0.638 179 A CB -0.681 17.786 19.000 -0.888 0.000 0.812 179 A HN 0.483 nan 8.150 nan 0.000 0.446 180 L N -0.934 120.269 121.223 -0.034 0.000 2.083 180 L HA -0.242 4.104 4.340 0.009 0.000 0.209 180 L C 2.789 179.717 176.870 0.098 0.000 1.083 180 L CA 1.529 56.379 54.840 0.016 0.000 0.752 180 L CB -0.801 41.216 42.059 -0.070 0.000 0.899 180 L HN 0.508 nan 8.230 nan 0.000 0.433 181 Q N -0.947 118.925 119.800 0.121 0.000 2.046 181 Q HA -0.250 4.096 4.340 0.009 0.000 0.200 181 Q C 2.058 178.163 176.000 0.175 0.000 0.975 181 Q CA 1.946 57.828 55.803 0.132 0.000 0.836 181 Q CB -0.302 28.517 28.738 0.135 0.000 0.896 181 Q HN 0.522 nan 8.270 nan 0.000 0.428 182 W N 0.621 121.955 121.300 0.056 0.000 2.325 182 W HA -0.246 4.419 4.660 0.009 0.000 0.299 182 W C 1.824 178.381 176.519 0.064 0.000 1.215 182 W CA 1.379 58.772 57.345 0.079 0.000 1.244 182 W CB -0.067 29.452 29.460 0.099 0.000 1.140 182 W HN -0.128 nan 8.180 nan 0.000 0.523 183 V N 0.716 120.864 119.914 0.390 0.000 2.307 183 V HA -0.334 3.792 4.120 0.009 0.000 0.245 183 V C 2.564 178.689 176.094 0.051 0.000 1.045 183 V CA 2.029 64.480 62.300 0.253 0.000 1.024 183 V CB -1.046 30.932 31.823 0.258 0.000 0.651 183 V HN 0.176 nan 8.190 nan 0.000 0.449 184 Q N -0.111 119.725 119.800 0.060 0.000 2.112 184 Q HA -0.291 4.055 4.340 0.009 0.000 0.206 184 Q C 2.248 178.225 176.000 -0.038 0.000 0.987 184 Q CA 2.414 58.234 55.803 0.027 0.000 0.858 184 Q CB -0.293 28.467 28.738 0.037 0.000 0.905 184 Q HN 0.837 nan 8.270 nan 0.000 0.420 185 E N -0.365 119.774 120.200 -0.101 0.000 2.122 185 E HA -0.069 4.287 4.350 0.009 0.000 0.190 185 E C 1.279 177.731 176.600 -0.246 0.000 0.977 185 E CA 0.821 57.126 56.400 -0.157 0.000 0.820 185 E CB 0.263 29.866 29.700 -0.162 0.000 0.770 185 E HN 0.288 nan 8.360 nan 0.000 0.462 186 N N -0.060 118.383 118.700 -0.430 0.000 2.273 186 N HA -0.004 4.742 4.740 0.009 0.000 0.192 186 N C 1.559 176.930 175.510 -0.232 0.000 1.132 186 N CA 0.085 52.828 53.050 -0.513 0.000 0.887 186 N CB 0.320 38.108 38.487 -1.166 0.000 1.048 186 N HN 0.143 nan 8.380 nan 0.000 0.490 187 I N 2.483 122.978 120.570 -0.125 0.000 2.335 187 I HA -0.165 4.011 4.170 0.009 0.000 0.251 187 I C 2.182 178.402 176.117 0.173 0.000 1.129 187 I CA 0.648 62.025 61.300 0.127 0.000 1.402 187 I CB -0.279 37.795 38.000 0.123 0.000 1.069 187 I HN 0.059 nan 8.210 nan 0.000 0.424 188 A N 0.234 123.082 122.820 0.047 0.000 2.024 188 A HA -0.136 4.190 4.320 0.009 0.000 0.220 188 A C 2.489 180.065 177.584 -0.013 0.000 1.164 188 A CA 1.545 53.597 52.037 0.024 0.000 0.643 188 A CB -1.121 17.870 19.000 -0.014 0.000 0.806 188 A HN 0.487 nan 8.150 nan 0.000 0.451 189 A N -1.460 121.311 122.820 -0.082 0.000 2.084 189 A HA -0.043 4.282 4.320 0.009 0.000 0.221 189 A C 1.567 178.922 177.584 -0.382 0.000 1.161 189 A CA 1.487 53.360 52.037 -0.273 0.000 0.653 189 A CB -0.655 18.078 19.000 -0.444 0.000 0.802 189 A HN 0.535 nan 8.150 nan 0.000 0.457 190 F N -1.732 118.172 119.950 -0.078 0.000 2.678 190 F HA 0.395 4.928 4.527 0.010 0.000 0.305 190 F C 1.727 177.537 175.800 0.016 0.000 1.090 190 F CA 0.522 58.498 58.000 -0.041 0.000 1.272 190 F CB 0.434 39.428 39.000 -0.010 0.000 1.060 190 F HN 0.324 nan 8.300 nan 0.000 0.576 191 G N 0.444 109.329 108.800 0.142 0.000 2.141 191 G HA2 -0.180 3.785 3.960 0.009 0.000 0.242 191 G HA3 -0.180 3.785 3.960 0.009 0.000 0.242 191 G C 0.596 175.567 174.900 0.119 0.000 0.982 191 G CA -0.257 44.906 45.100 0.105 0.000 0.662 191 G HN 0.702 nan 8.290 nan 0.000 0.527 192 G N -0.395 108.497 108.800 0.153 0.000 2.444 192 G HA2 0.470 4.436 3.960 0.009 0.000 0.268 192 G HA3 0.470 4.436 3.960 0.009 0.000 0.268 192 G C -0.615 174.338 174.900 0.087 0.000 1.203 192 G CA 0.267 45.444 45.100 0.129 0.000 0.835 192 G HN 0.223 nan 8.290 nan 0.000 0.543 193 D N 2.097 122.540 120.400 0.072 0.000 2.396 193 D HA 0.256 4.902 4.640 0.009 0.000 0.225 193 D C -1.191 175.148 176.300 0.066 0.000 1.121 193 D CA -2.400 51.627 54.000 0.045 0.000 0.853 193 D CB 1.880 42.690 40.800 0.016 0.000 1.043 193 D HN 0.077 nan 8.370 nan 0.000 0.500 194 P HA -0.055 nan 4.420 nan 0.000 0.234 194 P C 1.102 178.505 177.300 0.172 0.000 1.167 194 P CA 0.567 63.734 63.100 0.111 0.000 0.763 194 P CB 0.201 31.944 31.700 0.071 0.000 0.835 195 M N -1.486 118.146 119.600 0.052 0.000 2.428 195 M HA 0.102 4.588 4.480 0.009 0.000 0.239 195 M C 0.564 176.580 176.300 -0.474 0.000 1.121 195 M CA 0.365 55.589 55.300 -0.127 0.000 1.019 195 M CB 0.369 32.888 32.600 -0.135 0.000 1.485 195 M HN -0.213 nan 8.290 nan 0.000 0.484 196 S N 0.936 116.568 115.700 -0.115 0.000 2.279 196 S HA 0.423 4.899 4.470 0.009 0.000 0.176 196 S C -1.022 173.675 174.600 0.163 0.000 1.554 196 S CA -0.479 57.691 58.200 -0.051 0.000 1.242 196 S CB 0.479 63.640 63.200 -0.065 0.000 1.163 196 S HN -0.014 nan 8.310 nan 0.000 0.449 197 V N 4.159 124.318 119.914 0.408 0.000 2.350 197 V HA 0.485 4.611 4.120 0.009 0.000 0.285 197 V C 0.008 176.287 176.094 0.308 0.000 1.014 197 V CA -0.473 62.017 62.300 0.317 0.000 0.831 197 V CB 1.730 33.727 31.823 0.290 0.000 1.000 197 V HN 0.706 nan 8.190 nan 0.000 0.433 198 T N 6.675 121.370 114.554 0.235 0.000 2.749 198 T HA 0.565 4.920 4.350 0.009 0.000 0.287 198 T C -0.118 174.740 174.700 0.264 0.000 0.970 198 T CA -0.328 61.920 62.100 0.246 0.000 0.980 198 T CB 0.815 69.790 68.868 0.178 0.000 0.924 198 T HN 0.333 nan 8.240 nan 0.000 0.456 199 L N 5.118 126.454 121.223 0.189 0.000 2.331 199 L HA 0.584 4.929 4.340 0.009 0.000 0.278 199 L C -0.382 176.677 176.870 0.315 0.000 1.106 199 L CA -0.704 54.202 54.840 0.109 0.000 0.824 199 L CB 0.167 42.060 42.059 -0.276 0.000 1.142 199 L HN 0.635 nan 8.230 nan 0.000 0.443 200 F N 1.037 121.051 119.950 0.107 0.000 2.578 200 F HA 0.954 5.486 4.527 0.009 0.000 0.311 200 F C -0.243 175.571 175.800 0.023 0.000 1.094 200 F CA -1.347 56.763 58.000 0.184 0.000 0.923 200 F CB 1.580 40.822 39.000 0.404 0.000 1.230 200 F HN 0.424 nan 8.300 nan 0.000 0.450 201 G N 1.492 110.169 108.800 -0.205 0.000 2.660 201 G HA2 0.520 4.486 3.960 0.009 0.000 0.290 201 G HA3 0.520 4.486 3.960 0.009 0.000 0.290 201 G C -2.376 172.296 174.900 -0.380 0.000 1.432 201 G CA -0.728 43.853 45.100 -0.865 0.000 0.807 201 G HN 0.871 nan 8.290 nan 0.000 0.485 205 G N 0.482 109.055 108.800 -0.377 0.000 2.394 205 G HA2 0.187 4.152 3.960 0.009 0.000 0.215 205 G HA3 0.187 4.152 3.960 0.009 0.000 0.215 205 G C 1.644 176.351 174.900 -0.321 0.000 1.165 205 G CA 1.530 46.353 45.100 -0.461 0.000 0.784 205 G HN 1.136 nan 8.290 nan 0.000 0.535 206 A N 1.252 123.959 122.820 -0.189 0.000 1.898 206 A HA 0.293 4.619 4.320 0.009 0.000 0.216 206 A C 2.817 180.363 177.584 -0.063 0.000 1.181 206 A CA 2.219 54.208 52.037 -0.080 0.000 0.620 206 A CB -0.839 18.176 19.000 0.025 0.000 0.819 206 A HN 0.743 nan 8.150 nan 0.000 0.442 207 A N -0.568 122.237 122.820 -0.025 0.000 1.883 207 A HA -0.106 4.220 4.320 0.009 0.000 0.217 207 A C 2.448 180.012 177.584 -0.033 0.000 1.186 207 A CA 2.147 54.158 52.037 -0.043 0.000 0.624 207 A CB -1.063 17.922 19.000 -0.026 0.000 0.822 207 A HN 0.442 nan 8.150 nan 0.000 0.444 208 S N -0.523 115.162 115.700 -0.026 0.000 2.368 208 S HA -0.203 4.273 4.470 0.009 0.000 0.226 208 S C 1.933 176.446 174.600 -0.145 0.000 1.044 208 S CA 1.669 59.801 58.200 -0.112 0.000 1.062 208 S CB -0.679 62.396 63.200 -0.209 0.000 0.931 208 S HN 0.360 nan 8.310 nan 0.000 0.440 209 V N 1.413 121.261 119.914 -0.110 0.000 2.282 209 V HA -0.242 3.884 4.120 0.009 0.000 0.249 209 V C 2.586 178.644 176.094 -0.061 0.000 1.057 209 V CA 2.124 64.372 62.300 -0.087 0.000 1.032 209 V CB -1.503 30.254 31.823 -0.110 0.000 0.645 209 V HN 0.630 nan 8.190 nan 0.000 0.447 210 G N -1.241 107.523 108.800 -0.060 0.000 2.432 210 G HA2 -0.266 3.699 3.960 0.009 0.000 0.219 210 G HA3 -0.266 3.699 3.960 0.009 0.000 0.219 210 G C 1.586 176.479 174.900 -0.011 0.000 1.135 210 G CA 1.074 46.148 45.100 -0.042 0.000 0.767 210 G HN 0.473 nan 8.290 nan 0.000 0.550 211 M N -0.256 119.312 119.600 -0.053 0.000 2.254 211 M HA 0.059 4.544 4.480 0.009 0.000 0.265 211 M C 2.306 178.663 176.300 0.095 0.000 1.066 211 M CA 0.722 56.025 55.300 0.005 0.000 1.123 211 M CB -0.227 32.335 32.600 -0.063 0.000 1.388 211 M HN 0.176 nan 8.290 nan 0.000 0.425 212 H N 0.270 119.449 119.070 0.181 0.000 2.353 212 H HA -0.076 4.486 4.556 0.009 0.000 0.300 212 H C 2.144 177.664 175.328 0.319 0.000 1.090 212 H CA 1.571 57.736 56.048 0.196 0.000 1.327 212 H CB -0.527 29.223 29.762 -0.019 0.000 1.383 212 H HN 0.402 nan 8.280 nan 0.000 0.508 213 I N 0.653 121.462 120.570 0.399 0.000 2.264 213 I HA -0.253 3.923 4.170 0.009 0.000 0.248 213 I C 1.994 178.287 176.117 0.293 0.000 1.111 213 I CA 1.098 62.656 61.300 0.430 0.000 1.382 213 I CB -0.105 38.039 38.000 0.239 0.000 1.060 213 I HN 0.129 nan 8.210 nan 0.000 0.418 214 L N -0.969 120.382 121.223 0.213 0.000 2.592 214 L HA 0.102 4.448 4.340 0.009 0.000 0.227 214 L C 0.897 177.837 176.870 0.117 0.000 1.127 214 L CA 0.046 54.997 54.840 0.185 0.000 0.884 214 L CB 0.084 42.227 42.059 0.139 0.000 1.065 214 L HN 0.037 nan 8.230 nan 0.000 0.457 215 S N -0.190 115.556 115.700 0.076 0.000 2.530 215 S HA 0.227 4.702 4.470 0.009 0.000 0.322 215 S C 0.594 175.143 174.600 -0.084 0.000 1.085 215 S CA -0.618 57.521 58.200 -0.100 0.000 1.096 215 S CB 1.453 64.382 63.200 -0.451 0.000 0.988 215 S HN 0.127 nan 8.310 nan 0.000 0.466 216 L N 7.319 128.495 121.223 -0.078 0.000 2.043 216 L HA 0.113 4.459 4.340 0.009 0.000 0.212 216 L C -1.131 175.700 176.870 -0.064 0.000 1.075 216 L CA 2.137 56.945 54.840 -0.054 0.000 0.752 216 L CB -1.118 40.910 42.059 -0.052 0.000 0.891 216 L HN 0.502 nan 8.230 nan 0.000 0.432 217 P HA -0.031 nan 4.420 nan 0.000 0.231 217 P C 1.337 178.620 177.300 -0.027 0.000 1.158 217 P CA 1.052 64.108 63.100 -0.073 0.000 0.763 217 P CB 0.057 31.697 31.700 -0.099 0.000 0.805 218 S N -1.077 114.632 115.700 0.014 0.000 2.492 218 S HA 0.075 4.551 4.470 0.009 0.000 0.218 218 S C 1.774 176.485 174.600 0.186 0.000 1.016 218 S CA 0.032 58.330 58.200 0.164 0.000 0.916 218 S CB -0.192 63.235 63.200 0.379 0.000 0.791 218 S HN 0.028 nan 8.310 nan 0.000 0.513 219 R N 2.302 122.820 120.500 0.030 0.000 2.105 219 R HA -0.021 4.325 4.340 0.009 0.000 0.239 219 R C 2.363 178.454 176.300 -0.349 0.000 1.135 219 R CA 1.552 57.523 56.100 -0.216 0.000 0.967 219 R CB -1.343 28.879 30.300 -0.130 0.000 0.861 219 R HN 0.579 nan 8.270 nan 0.000 0.442 220 S N -0.025 115.569 115.700 -0.176 0.000 2.555 220 S HA 0.037 4.513 4.470 0.009 0.000 0.230 220 S C 1.769 176.262 174.600 -0.178 0.000 0.978 220 S CA 0.434 58.536 58.200 -0.164 0.000 0.934 220 S CB -0.190 62.965 63.200 -0.075 0.000 0.766 220 S HN 0.243 nan 8.310 nan 0.000 0.533 221 L N 0.205 121.354 121.223 -0.123 0.000 2.640 221 L HA 0.461 4.807 4.340 0.009 0.000 0.230 221 L C 0.168 177.054 176.870 0.027 0.000 1.123 221 L CA -0.283 54.554 54.840 -0.006 0.000 0.900 221 L CB -0.146 41.964 42.059 0.084 0.000 1.146 221 L HN 0.505 nan 8.230 nan 0.000 0.484 222 F N -4.212 115.535 119.950 -0.338 0.000 2.745 222 F HA 0.477 5.009 4.527 0.009 0.000 0.316 222 F C 0.412 175.859 175.800 -0.587 0.000 1.155 222 F CA -1.002 56.772 58.000 -0.377 0.000 0.937 222 F CB 0.827 39.762 39.000 -0.108 0.000 1.361 222 F HN -0.173 nan 8.300 nan 0.000 0.472 223 H N -0.689 118.432 119.070 0.085 0.000 3.205 223 H HA 0.454 5.015 4.556 0.009 0.000 0.252 223 H C -0.171 175.190 175.328 0.055 0.000 1.015 223 H CA 0.011 56.033 56.048 -0.044 0.000 1.192 223 H CB 1.002 30.747 29.762 -0.028 0.000 1.474 223 H HN 0.433 nan 8.280 nan 0.000 0.484 224 R N 0.160 120.867 120.500 0.345 0.000 2.739 224 R HA 0.701 5.047 4.340 0.009 0.000 0.271 224 R C -1.481 175.097 176.300 0.463 0.000 1.010 224 R CA -0.663 55.616 56.100 0.299 0.000 0.897 224 R CB 2.964 33.253 30.300 -0.019 0.000 1.236 224 R HN 0.137 nan 8.270 nan 0.000 0.466 225 A N 1.429 124.542 122.820 0.488 0.000 2.455 225 A HA 0.634 4.960 4.320 0.009 0.000 0.300 225 A C -1.392 176.324 177.584 0.220 0.000 1.040 225 A CA -0.586 51.644 52.037 0.321 0.000 0.697 225 A CB 1.800 20.950 19.000 0.250 0.000 1.265 225 A HN 0.310 nan 8.150 nan 0.000 0.407 226 V N 2.656 122.661 119.914 0.153 0.000 2.448 226 V HA 0.511 4.637 4.120 0.009 0.000 0.295 226 V C -1.031 175.142 176.094 0.133 0.000 1.025 226 V CA -0.353 61.975 62.300 0.046 0.000 0.859 226 V CB 1.216 33.081 31.823 0.069 0.000 0.988 226 V HN 0.688 nan 8.190 nan 0.000 0.431 227 L N 5.267 126.543 121.223 0.088 0.000 2.318 227 L HA 0.511 4.857 4.340 0.009 0.000 0.277 227 L C 0.006 176.975 176.870 0.164 0.000 1.008 227 L CA 0.021 54.913 54.840 0.086 0.000 0.846 227 L CB 1.492 43.557 42.059 0.009 0.000 1.220 227 L HN 0.616 nan 8.230 nan 0.000 0.423 228 Q N 1.968 121.911 119.800 0.238 0.000 2.360 228 Q HA 0.429 4.774 4.340 0.009 0.000 0.254 228 Q C 0.085 176.203 176.000 0.197 0.000 0.975 228 Q CA -0.501 55.502 55.803 0.333 0.000 0.912 228 Q CB 1.182 30.205 28.738 0.476 0.000 1.212 228 Q HN 0.633 nan 8.270 nan 0.000 0.452 229 S N 1.223 117.023 115.700 0.167 0.000 3.550 229 S HA -0.154 4.322 4.470 0.009 0.000 0.372 229 S C 0.050 174.826 174.600 0.294 0.000 0.966 229 S CA 0.457 58.777 58.200 0.200 0.000 1.229 229 S CB -1.275 62.033 63.200 0.180 0.000 0.917 229 S HN 1.003 nan 8.310 nan 0.000 0.496 230 G N -0.322 108.609 108.800 0.218 0.000 2.442 230 G HA2 0.637 4.603 3.960 0.009 0.000 0.296 230 G HA3 0.637 4.603 3.960 0.009 0.000 0.296 230 G C -0.923 174.021 174.900 0.074 0.000 1.564 230 G CA 0.143 45.415 45.100 0.287 0.000 0.828 230 G HN 1.127 nan 8.290 nan 0.000 0.571 231 T N -1.170 113.353 114.554 -0.051 0.000 2.889 231 T HA 0.728 5.084 4.350 0.009 0.000 0.315 231 T C -2.327 172.200 174.700 -0.288 0.000 1.291 231 T CA -1.227 60.775 62.100 -0.163 0.000 1.028 231 T CB 3.021 71.783 68.868 -0.177 0.000 1.235 231 T HN 0.296 nan 8.240 nan 0.000 0.491 232 P HA -0.054 nan 4.420 nan 0.000 0.219 232 P C 0.285 177.415 177.300 -0.283 0.000 1.150 232 P CA 0.869 63.837 63.100 -0.221 0.000 0.814 232 P CB -0.266 31.358 31.700 -0.128 0.000 0.787 233 N N -0.633 117.914 118.700 -0.256 0.000 2.413 233 N HA 0.441 5.186 4.740 0.009 0.000 0.266 233 N C 0.505 175.791 175.510 -0.375 0.000 1.238 233 N CA -0.021 52.877 53.050 -0.253 0.000 0.972 233 N CB 0.397 38.785 38.487 -0.166 0.000 1.210 233 N HN 0.196 nan 8.380 nan 0.000 0.547 234 G N -1.209 107.392 108.800 -0.333 0.000 2.525 234 G HA2 -0.098 3.868 3.960 0.009 0.000 0.685 234 G HA3 -0.098 3.868 3.960 0.009 0.000 0.685 234 G C -2.340 172.296 174.900 -0.441 0.000 1.290 234 G CA -0.403 44.445 45.100 -0.419 0.000 0.915 234 G HN 0.573 nan 8.290 nan 0.000 0.548 235 P HA 0.149 nan 4.420 nan 0.000 0.245 235 P C 1.361 178.578 177.300 -0.138 0.000 1.206 235 P CA 1.773 64.713 63.100 -0.265 0.000 0.781 235 P CB -0.056 31.442 31.700 -0.337 0.000 0.994 236 W N -1.816 119.359 121.300 -0.209 0.000 2.835 236 W HA 0.542 5.206 4.660 0.008 0.000 0.278 236 W C 1.060 177.634 176.519 0.093 0.000 1.075 236 W CA 0.449 57.751 57.345 -0.071 0.000 1.439 236 W CB -0.759 28.670 29.460 -0.051 0.000 0.927 236 W HN -0.175 nan 8.180 nan 0.000 0.604 237 A N 2.036 124.546 122.820 -0.516 0.000 2.119 237 A HA 0.123 4.449 4.320 0.009 0.000 0.216 237 A C 1.106 178.556 177.584 -0.223 0.000 1.152 237 A CA 1.839 53.661 52.037 -0.358 0.000 0.708 237 A CB -0.821 17.700 19.000 -0.799 0.000 0.805 237 A HN 0.259 nan 8.150 nan 0.000 0.460 238 T N -3.214 111.215 114.554 -0.209 0.000 2.864 238 T HA 0.610 4.966 4.350 0.009 0.000 0.299 238 T C -0.721 173.903 174.700 -0.127 0.000 1.166 238 T CA -0.137 61.849 62.100 -0.191 0.000 1.007 238 T CB 1.503 70.265 68.868 -0.177 0.000 1.219 238 T HN 0.832 nan 8.240 nan 0.000 0.506 239 V N -1.023 118.824 119.914 -0.112 0.000 2.962 239 V HA 0.887 5.013 4.120 0.009 0.000 0.313 239 V C 0.406 176.462 176.094 -0.064 0.000 1.099 239 V CA -0.870 61.381 62.300 -0.082 0.000 0.971 239 V CB 1.297 33.071 31.823 -0.082 0.000 1.028 239 V HN 1.380 nan 8.190 nan 0.000 0.430 240 S N 2.272 117.941 115.700 -0.053 0.000 2.576 240 S HA 0.472 4.947 4.470 0.009 0.000 0.272 240 S C 1.478 176.060 174.600 -0.030 0.000 1.352 240 S CA 0.208 58.385 58.200 -0.038 0.000 1.021 240 S CB 1.111 64.290 63.200 -0.035 0.000 0.887 240 S HN 1.992 nan 8.310 nan 0.000 0.542 241 A N 2.892 125.700 122.820 -0.019 0.000 1.892 241 A HA 0.052 4.378 4.320 0.009 0.000 0.218 241 A C 2.294 179.870 177.584 -0.014 0.000 1.188 241 A CA 1.976 54.007 52.037 -0.011 0.000 0.631 241 A CB -1.949 17.048 19.000 -0.005 0.000 0.822 241 A HN 1.261 nan 8.150 nan 0.000 0.447 242 G N -0.597 108.192 108.800 -0.018 0.000 2.440 242 G HA2 -0.280 3.686 3.960 0.009 0.000 0.218 242 G HA3 -0.280 3.686 3.960 0.009 0.000 0.218 242 G C 1.483 176.369 174.900 -0.025 0.000 1.154 242 G CA 1.505 46.593 45.100 -0.019 0.000 0.767 242 G HN 0.584 nan 8.290 nan 0.000 0.552 243 E N 0.942 121.122 120.200 -0.033 0.000 2.107 243 E HA 0.138 4.494 4.350 0.009 0.000 0.191 243 E C 2.627 179.194 176.600 -0.056 0.000 0.982 243 E CA 1.289 57.660 56.400 -0.047 0.000 0.809 243 E CB -0.549 29.117 29.700 -0.056 0.000 0.756 243 E HN 0.272 nan 8.360 nan 0.000 0.459 244 A N 0.728 123.525 122.820 -0.039 0.000 1.930 244 A HA -0.121 4.204 4.320 0.009 0.000 0.217 244 A C 2.261 179.856 177.584 0.018 0.000 1.175 244 A CA 1.539 53.570 52.037 -0.011 0.000 0.627 244 A CB -0.544 18.468 19.000 0.021 0.000 0.815 244 A HN 0.250 nan 8.150 nan 0.000 0.443 245 R N -0.409 120.091 120.500 0.001 0.000 2.080 245 R HA -0.157 4.189 4.340 0.009 0.000 0.236 245 R C 2.468 178.767 176.300 -0.002 0.000 1.137 245 R CA 1.771 57.870 56.100 -0.002 0.000 0.943 245 R CB -0.345 29.949 30.300 -0.011 0.000 0.846 245 R HN 0.508 nan 8.270 nan 0.000 0.431 246 R N 0.422 120.914 120.500 -0.014 0.000 2.082 246 R HA -0.162 4.183 4.340 0.009 0.000 0.234 246 R C 2.305 178.596 176.300 -0.014 0.000 1.136 246 R CA 2.122 58.211 56.100 -0.018 0.000 0.935 246 R CB -0.198 30.085 30.300 -0.029 0.000 0.842 246 R HN 0.291 nan 8.270 nan 0.000 0.430 247 R N -0.347 120.127 120.500 -0.043 0.000 2.105 247 R HA -0.110 4.236 4.340 0.009 0.000 0.239 247 R C 2.267 178.638 176.300 0.117 0.000 1.135 247 R CA 1.372 57.427 56.100 -0.075 0.000 0.967 247 R CB -0.280 29.812 30.300 -0.347 0.000 0.861 247 R HN 0.289 nan 8.270 nan 0.000 0.442 248 A N 0.390 123.316 122.820 0.178 0.000 1.898 248 A HA -0.083 4.243 4.320 0.009 0.000 0.214 248 A C 2.163 179.773 177.584 0.042 0.000 1.183 248 A CA 1.515 53.666 52.037 0.189 0.000 0.622 248 A CB -0.623 18.425 19.000 0.080 0.000 0.824 248 A HN 0.215 nan 8.150 nan 0.000 0.444 249 T N 0.379 114.941 114.554 0.014 0.000 2.720 249 T HA -0.154 4.202 4.350 0.009 0.000 0.268 249 T C 1.837 176.538 174.700 0.002 0.000 1.037 249 T CA 1.620 63.714 62.100 -0.010 0.000 1.144 249 T CB -0.371 68.490 68.868 -0.012 0.000 0.864 249 T HN 0.295 nan 8.240 nan 0.000 0.444 250 L N 1.067 122.304 121.223 0.023 0.000 2.056 250 L HA 0.110 4.456 4.340 0.009 0.000 0.207 250 L C 2.210 179.106 176.870 0.045 0.000 1.078 250 L CA 1.437 56.294 54.840 0.028 0.000 0.749 250 L CB -0.980 41.096 42.059 0.029 0.000 0.901 250 L HN 0.221 nan 8.230 nan 0.000 0.433 251 L N -0.276 121.004 121.223 0.095 0.000 2.042 251 L HA -0.153 4.193 4.340 0.009 0.000 0.210 251 L C 2.498 179.370 176.870 0.004 0.000 1.076 251 L CA 1.994 56.897 54.840 0.104 0.000 0.749 251 L CB -0.758 41.418 42.059 0.195 0.000 0.893 251 L HN 0.304 nan 8.230 nan 0.000 0.432 252 A N -0.220 122.586 122.820 -0.024 0.000 1.865 252 A HA -0.256 4.070 4.320 0.009 0.000 0.217 252 A C 2.383 179.936 177.584 -0.051 0.000 1.191 252 A CA 1.988 53.993 52.037 -0.054 0.000 0.623 252 A CB -0.698 18.264 19.000 -0.065 0.000 0.826 252 A HN 0.496 nan 8.150 nan 0.000 0.444 253 R N -0.685 119.793 120.500 -0.038 0.000 2.112 253 R HA -0.194 4.151 4.340 0.009 0.000 0.242 253 R C 2.097 178.354 176.300 -0.072 0.000 1.137 253 R CA 1.872 57.948 56.100 -0.041 0.000 0.944 253 R CB -0.869 29.416 30.300 -0.025 0.000 0.857 253 R HN 0.572 nan 8.270 nan 0.000 0.435 254 L N 0.769 121.938 121.223 -0.090 0.000 2.261 254 L HA -0.140 4.205 4.340 0.009 0.000 0.216 254 L C 2.186 178.833 176.870 -0.371 0.000 1.114 254 L CA 0.909 55.631 54.840 -0.197 0.000 0.777 254 L CB -0.280 41.685 42.059 -0.156 0.000 0.910 254 L HN 0.191 nan 8.230 nan 0.000 0.440 255 V N -4.745 115.019 119.914 -0.250 0.000 3.578 255 V HA 0.533 4.659 4.120 0.009 0.000 0.290 255 V C 1.009 177.053 176.094 -0.084 0.000 1.376 255 V CA 0.273 62.456 62.300 -0.196 0.000 1.083 255 V CB 0.218 31.982 31.823 -0.100 0.000 0.911 255 V HN 0.363 nan 8.190 nan 0.000 0.433 256 G N -0.500 108.257 108.800 -0.072 0.000 2.327 256 G HA2 -0.109 3.857 3.960 0.009 0.000 0.159 256 G HA3 -0.109 3.857 3.960 0.009 0.000 0.159 256 G C -0.295 174.588 174.900 -0.028 0.000 1.056 256 G CA -0.185 44.892 45.100 -0.039 0.000 0.751 256 G HN 0.708 nan 8.290 nan 0.000 0.488 266 D N 1.153 121.542 120.400 -0.019 0.000 2.117 266 D HA -0.105 4.541 4.640 0.009 0.000 0.197 266 D C 1.511 177.795 176.300 -0.027 0.000 0.987 266 D CA 1.754 55.737 54.000 -0.029 0.000 0.829 266 D CB 0.073 40.855 40.800 -0.030 0.000 0.961 266 D HN 0.564 nan 8.370 nan 0.000 0.460 267 T N 0.882 115.428 114.554 -0.013 0.000 2.624 267 T HA -0.239 4.116 4.350 0.009 0.000 0.268 267 T C 1.804 176.502 174.700 -0.003 0.000 1.041 267 T CA 1.671 63.769 62.100 -0.003 0.000 1.159 267 T CB -0.296 68.574 68.868 0.002 0.000 0.863 267 T HN 0.305 nan 8.240 nan 0.000 0.434 268 E N 0.251 120.447 120.200 -0.006 0.000 2.106 268 E HA -0.073 4.283 4.350 0.009 0.000 0.192 268 E C 2.194 178.788 176.600 -0.009 0.000 0.984 268 E CA 0.656 57.053 56.400 -0.004 0.000 0.806 268 E CB -0.151 29.546 29.700 -0.005 0.000 0.750 268 E HN 0.448 nan 8.360 nan 0.000 0.458 269 L N 0.400 121.609 121.223 -0.023 0.000 2.044 269 L HA -0.104 4.242 4.340 0.009 0.000 0.205 269 L C 2.203 179.042 176.870 -0.051 0.000 1.075 269 L CA 1.116 55.933 54.840 -0.040 0.000 0.747 269 L CB -0.100 41.926 42.059 -0.054 0.000 0.903 269 L HN 0.143 nan 8.230 nan 0.000 0.435 270 I N 0.053 120.588 120.570 -0.058 0.000 2.315 270 I HA -0.247 3.929 4.170 0.009 0.000 0.248 270 I C 2.708 178.858 176.117 0.056 0.000 1.117 270 I CA 1.062 62.329 61.300 -0.055 0.000 1.404 270 I CB -0.595 37.374 38.000 -0.052 0.000 1.071 270 I HN 0.334 nan 8.210 nan 0.000 0.419 271 A N -0.297 122.547 122.820 0.041 0.000 1.933 271 A HA -0.290 4.036 4.320 0.009 0.000 0.218 271 A C 2.522 180.137 177.584 0.052 0.000 1.175 271 A CA 1.958 54.026 52.037 0.052 0.000 0.628 271 A CB -1.314 17.704 19.000 0.030 0.000 0.814 271 A HN 0.625 nan 8.150 nan 0.000 0.444 272 c N -0.609 118.010 118.600 0.031 0.000 2.453 272 c HA 0.021 4.596 4.570 0.009 0.000 0.277 272 c C 2.599 176.717 174.090 0.046 0.000 1.262 272 c CA 1.035 57.380 56.329 0.026 0.000 1.718 272 c CB -1.568 40.945 42.510 0.005 0.000 2.031 272 c HN 0.592 nan 8.230 nan 0.000 0.480 273 L N 0.540 121.797 121.223 0.057 0.000 2.079 273 L HA -0.161 4.185 4.340 0.009 0.000 0.210 273 L C 2.931 179.930 176.870 0.214 0.000 1.081 273 L CA 1.715 56.627 54.840 0.120 0.000 0.752 273 L CB -0.648 41.446 42.059 0.059 0.000 0.896 273 L HN 0.370 nan 8.230 nan 0.000 0.433 274 R N -0.626 120.009 120.500 0.225 0.000 2.237 274 R HA -0.101 4.245 4.340 0.009 0.000 0.219 274 R C 2.106 178.436 176.300 0.049 0.000 1.080 274 R CA 1.569 57.740 56.100 0.118 0.000 0.995 274 R CB -0.411 29.949 30.300 0.100 0.000 0.875 274 R HN 0.518 nan 8.270 nan 0.000 0.462 275 T N -1.816 112.769 114.554 0.052 0.000 3.100 275 T HA 0.120 4.476 4.350 0.009 0.000 0.253 275 T C 0.884 175.602 174.700 0.029 0.000 1.118 275 T CA -0.183 61.935 62.100 0.031 0.000 1.058 275 T CB 0.198 69.082 68.868 0.027 0.000 0.953 275 T HN -0.143 nan 8.240 nan 0.000 0.515 276 R N 2.732 123.257 120.500 0.041 0.000 2.441 276 R HA 0.418 4.763 4.340 0.009 0.000 0.284 276 R C -2.732 173.586 176.300 0.031 0.000 1.070 276 R CA -2.676 53.449 56.100 0.040 0.000 1.047 276 R CB -0.063 30.268 30.300 0.051 0.000 1.016 276 R HN 0.253 nan 8.270 nan 0.000 0.477 277 P HA 0.035 nan 4.420 nan 0.000 0.268 277 P C 0.287 177.580 177.300 -0.012 0.000 1.205 277 P CA 0.081 63.180 63.100 -0.002 0.000 0.771 277 P CB 0.579 32.288 31.700 0.015 0.000 0.858 278 A N 2.635 125.385 122.820 -0.118 0.000 1.927 278 A HA -0.300 4.025 4.320 0.009 0.000 0.220 278 A C 2.159 179.689 177.584 -0.089 0.000 1.185 278 A CA 2.102 54.042 52.037 -0.163 0.000 0.639 278 A CB -1.266 17.168 19.000 -0.944 0.000 0.820 278 A HN 0.548 nan 8.150 nan 0.000 0.451 279 Q N -0.214 119.514 119.800 -0.120 0.000 2.167 279 Q HA -0.131 4.215 4.340 0.009 0.000 0.202 279 Q C 1.319 177.431 176.000 0.188 0.000 0.970 279 Q CA 1.845 57.739 55.803 0.151 0.000 0.855 279 Q CB -0.386 28.466 28.738 0.191 0.000 0.911 279 Q HN 0.640 nan 8.270 nan 0.000 0.438 280 D N -0.603 119.888 120.400 0.152 0.000 2.123 280 D HA -0.140 4.505 4.640 0.009 0.000 0.196 280 D C 1.595 178.059 176.300 0.273 0.000 0.992 280 D CA 1.095 55.224 54.000 0.215 0.000 0.833 280 D CB -0.040 40.864 40.800 0.173 0.000 0.954 280 D HN 0.301 nan 8.370 nan 0.000 0.455 281 L N -0.275 121.056 121.223 0.180 0.000 2.072 281 L HA -0.095 4.251 4.340 0.009 0.000 0.205 281 L C 2.430 179.396 176.870 0.160 0.000 1.079 281 L CA 0.496 55.399 54.840 0.104 0.000 0.752 281 L CB -0.488 41.493 42.059 -0.129 0.000 0.906 281 L HN -0.033 nan 8.230 nan 0.000 0.436 282 V N 0.022 120.096 119.914 0.267 0.000 2.343 282 V HA -0.286 3.839 4.120 0.009 0.000 0.247 282 V C 2.049 178.301 176.094 0.263 0.000 1.051 282 V CA 1.868 64.373 62.300 0.341 0.000 1.036 282 V CB -0.552 31.581 31.823 0.517 0.000 0.654 282 V HN 0.419 nan 8.190 nan 0.000 0.451 283 D N -0.744 119.768 120.400 0.187 0.000 2.265 283 D HA -0.146 4.500 4.640 0.009 0.000 0.208 283 D C 1.659 177.817 176.300 -0.237 0.000 0.977 283 D CA 1.428 55.426 54.000 -0.004 0.000 0.871 283 D CB -0.184 40.552 40.800 -0.107 0.000 0.925 283 D HN 0.666 nan 8.370 nan 0.000 0.485 284 H N -1.242 117.921 119.070 0.155 0.000 2.893 284 H HA 0.131 4.693 4.556 0.009 0.000 0.270 284 H C 1.496 176.840 175.328 0.028 0.000 1.095 284 H CA 0.088 56.239 56.048 0.170 0.000 1.186 284 H CB 0.401 30.320 29.762 0.261 0.000 1.562 284 H HN 0.226 nan 8.280 nan 0.000 0.536 285 E N 0.394 120.615 120.200 0.034 0.000 2.204 285 E HA -0.206 4.149 4.350 0.009 0.000 0.195 285 E C 0.642 177.029 176.600 -0.356 0.000 0.990 285 E CA 1.083 57.437 56.400 -0.077 0.000 0.821 285 E CB -0.243 29.376 29.700 -0.135 0.000 0.750 285 E HN 0.560 nan 8.360 nan 0.000 0.477 286 W N 0.424 121.603 121.300 -0.202 0.000 3.139 286 W HA 0.114 4.779 4.660 0.009 0.000 0.260 286 W C 1.322 177.743 176.519 -0.163 0.000 1.312 286 W CA -0.118 57.072 57.345 -0.258 0.000 1.606 286 W CB 0.300 29.521 29.460 -0.397 0.000 1.118 286 W HN 0.170 nan 8.180 nan 0.000 0.675 287 H N -0.142 119.042 119.070 0.190 0.000 2.536 287 H HA 0.092 4.654 4.556 0.010 0.000 0.276 287 H C 1.717 177.099 175.328 0.090 0.000 1.019 287 H CA 0.762 56.902 56.048 0.152 0.000 1.159 287 H CB -0.399 29.477 29.762 0.189 0.000 1.373 287 H HN 0.240 nan 8.280 nan 0.000 0.584 288 V N -2.564 117.423 119.914 0.122 0.000 3.477 288 V HA 0.278 4.403 4.120 0.009 0.000 0.297 288 V C 0.585 176.654 176.094 -0.042 0.000 1.433 288 V CA -0.192 62.126 62.300 0.030 0.000 1.052 288 V CB -0.083 31.732 31.823 -0.014 0.000 0.895 288 V HN -0.031 nan 8.190 nan 0.000 0.438 289 L N 2.501 123.717 121.223 -0.012 0.000 2.380 289 L HA 0.361 4.707 4.340 0.009 0.000 0.273 289 L C -0.435 176.433 176.870 -0.004 0.000 1.138 289 L CA -1.286 53.537 54.840 -0.028 0.000 0.832 289 L CB 1.244 43.313 42.059 0.016 0.000 1.124 289 L HN 0.102 nan 8.230 nan 0.000 0.454 290 P HA -0.097 nan 4.420 nan 0.000 0.218 290 P C -0.230 177.071 177.300 0.002 0.000 1.149 290 P CA 1.156 64.249 63.100 -0.012 0.000 0.817 290 P CB 0.395 32.081 31.700 -0.023 0.000 0.785 291 Q N -1.158 118.644 119.800 0.004 0.000 2.484 291 Q HA 0.348 4.694 4.340 0.009 0.000 0.285 291 Q C -0.551 175.461 176.000 0.019 0.000 1.097 291 Q CA -0.777 55.032 55.803 0.011 0.000 0.802 291 Q CB 1.272 30.012 28.738 0.005 0.000 1.444 291 Q HN -0.034 nan 8.270 nan 0.000 0.429 292 E N 1.090 121.303 120.200 0.022 0.000 2.415 292 E HA 0.236 4.592 4.350 0.009 0.000 0.260 292 E C -1.009 175.600 176.600 0.015 0.000 1.016 292 E CA 0.083 56.498 56.400 0.025 0.000 0.924 292 E CB 0.272 29.987 29.700 0.025 0.000 0.961 292 E HN 0.573 nan 8.360 nan 0.000 0.459 293 S N 3.819 119.526 115.700 0.011 0.000 2.579 293 S HA 0.646 5.122 4.470 0.009 0.000 0.272 293 S C -0.469 174.122 174.600 -0.016 0.000 1.141 293 S CA -1.057 57.139 58.200 -0.007 0.000 0.843 293 S CB 0.947 64.132 63.200 -0.024 0.000 1.122 293 S HN 0.507 nan 8.310 nan 0.000 0.468 294 I N -2.062 118.496 120.570 -0.021 0.000 2.846 294 I HA 0.782 4.957 4.170 0.009 0.000 0.307 294 I C -0.113 175.939 176.117 -0.109 0.000 1.053 294 I CA -1.180 60.108 61.300 -0.020 0.000 1.050 294 I CB 0.992 39.040 38.000 0.080 0.000 1.239 294 I HN 0.749 nan 8.210 nan 0.000 0.439 295 F N 1.681 121.361 119.950 -0.450 0.000 3.093 295 F HA -0.193 4.339 4.527 0.010 0.000 0.287 295 F C -0.161 174.994 175.800 -1.076 0.000 0.882 295 F CA 0.670 58.116 58.000 -0.923 0.000 1.063 295 F CB -0.701 37.690 39.000 -1.016 0.000 1.097 295 F HN 0.585 nan 8.300 nan 0.000 0.604 296 R N 0.227 120.236 120.500 -0.819 0.000 2.686 296 R HA 0.708 5.054 4.340 0.009 0.000 0.286 296 R C -0.924 174.935 176.300 -0.735 0.000 0.969 296 R CA -0.562 55.127 56.100 -0.685 0.000 0.898 296 R CB 1.421 31.588 30.300 -0.222 0.000 1.183 296 R HN 0.003 nan 8.270 nan 0.000 0.456 297 F N -1.055 119.006 119.950 0.186 0.000 2.565 297 F HA 0.348 4.881 4.527 0.009 0.000 0.313 297 F C 1.385 177.116 175.800 -0.115 0.000 1.091 297 F CA -0.849 57.207 58.000 0.094 0.000 0.915 297 F CB 1.834 41.009 39.000 0.292 0.000 1.208 297 F HN 0.334 nan 8.300 nan 0.000 0.453 298 S N 0.583 116.154 115.700 -0.216 0.000 2.355 298 S HA 0.013 4.488 4.470 0.009 0.000 0.222 298 S C -0.021 174.153 174.600 -0.710 0.000 1.031 298 S CA 1.147 59.036 58.200 -0.518 0.000 0.993 298 S CB -0.189 62.614 63.200 -0.662 0.000 0.859 298 S HN 0.366 nan 8.310 nan 0.000 0.453 299 F N 1.638 121.578 119.950 -0.016 0.000 2.430 299 F HA 0.529 5.061 4.527 0.010 0.000 0.362 299 F C -0.038 175.743 175.800 -0.031 0.000 1.103 299 F CA -1.012 57.009 58.000 0.035 0.000 1.045 299 F CB 1.280 40.335 39.000 0.092 0.000 1.276 299 F HN -0.101 nan 8.300 nan 0.000 0.444 300 V N 0.699 120.557 119.914 -0.092 0.000 3.155 300 V HA 0.768 4.893 4.120 0.009 0.000 0.313 300 V C -2.849 172.873 176.094 -0.620 0.000 1.162 300 V CA -3.443 58.481 62.300 -0.627 0.000 1.048 300 V CB 1.990 33.650 31.823 -0.271 0.000 1.092 300 V HN 0.254 nan 8.190 nan 0.000 0.447 301 P HA 0.081 nan 4.420 nan 0.000 0.260 301 P C -0.536 176.639 177.300 -0.210 0.000 1.172 301 P CA 0.623 63.467 63.100 -0.426 0.000 0.760 301 P CB 0.410 31.774 31.700 -0.560 0.000 0.773 302 V N 5.671 125.541 119.914 -0.073 0.000 2.532 302 V HA 0.187 4.313 4.120 0.009 0.000 0.295 302 V C -0.079 175.996 176.094 -0.031 0.000 1.041 302 V CA -0.756 61.518 62.300 -0.043 0.000 0.926 302 V CB 1.799 33.626 31.823 0.007 0.000 0.992 302 V HN 0.138 nan 8.190 nan 0.000 0.457 303 V N 7.717 127.613 119.914 -0.030 0.000 2.359 303 V HA 0.144 4.269 4.120 0.009 0.000 0.248 303 V C 0.847 176.948 176.094 0.011 0.000 1.091 303 V CA 0.414 62.709 62.300 -0.008 0.000 1.103 303 V CB 0.057 31.868 31.823 -0.020 0.000 1.176 303 V HN 1.069 nan 8.190 nan 0.000 0.488 304 D N 2.699 123.120 120.400 0.036 0.000 2.360 304 D HA 0.107 4.753 4.640 0.009 0.000 0.210 304 D C 1.566 177.890 176.300 0.041 0.000 1.047 304 D CA 0.674 54.699 54.000 0.041 0.000 0.854 304 D CB 0.378 41.215 40.800 0.061 0.000 0.936 304 D HN 0.647 nan 8.370 nan 0.000 0.514 305 G N 0.801 109.625 108.800 0.041 0.000 2.155 305 G HA2 -0.342 3.624 3.960 0.009 0.000 0.257 305 G HA3 -0.342 3.624 3.960 0.009 0.000 0.257 305 G C 0.420 175.343 174.900 0.039 0.000 0.983 305 G CA 0.887 46.007 45.100 0.032 0.000 0.676 305 G HN 0.550 nan 8.290 nan 0.000 0.528 306 D N -1.571 118.868 120.400 0.066 0.000 3.040 306 D HA 0.241 4.886 4.640 0.009 0.000 0.221 306 D C 1.782 178.134 176.300 0.086 0.000 1.515 306 D CA 0.321 54.361 54.000 0.068 0.000 1.379 306 D CB -0.604 40.245 40.800 0.082 0.000 0.992 306 D HN 0.051 nan 8.370 nan 0.000 0.234 307 F N 1.084 121.042 119.950 0.014 0.000 2.091 307 F HA 0.104 4.636 4.527 0.009 0.000 0.299 307 F C 0.655 176.457 175.800 0.004 0.000 1.103 307 F CA 1.294 59.302 58.000 0.014 0.000 1.228 307 F CB 0.064 39.069 39.000 0.009 0.000 0.984 307 F HN 0.004 nan 8.300 nan 0.000 0.477 308 L N 0.579 121.977 121.223 0.293 0.000 2.295 308 L HA 0.189 4.535 4.340 0.009 0.000 0.281 308 L C 1.333 178.253 176.870 0.083 0.000 1.018 308 L CA -0.159 54.781 54.840 0.168 0.000 0.841 308 L CB 1.427 43.562 42.059 0.126 0.000 1.218 308 L HN 0.072 nan 8.230 nan 0.000 0.424 309 S N 0.630 116.361 115.700 0.052 0.000 2.428 309 S HA -0.001 4.475 4.470 0.009 0.000 0.230 309 S C 0.492 175.104 174.600 0.021 0.000 1.014 309 S CA 0.461 58.678 58.200 0.028 0.000 0.957 309 S CB 0.227 63.434 63.200 0.012 0.000 0.784 309 S HN 0.680 nan 8.310 nan 0.000 0.499 310 D N 0.422 120.836 120.400 0.023 0.000 2.744 310 D HA 0.337 4.983 4.640 0.009 0.000 0.304 310 D C -0.756 175.549 176.300 0.008 0.000 1.179 310 D CA 0.001 54.009 54.000 0.012 0.000 1.024 310 D CB 1.577 42.382 40.800 0.008 0.000 1.453 310 D HN 0.255 nan 8.370 nan 0.000 0.529 311 T N -0.970 113.581 114.554 -0.006 0.000 2.932 311 T HA 0.189 4.544 4.350 0.009 0.000 0.312 311 T C -1.829 172.862 174.700 -0.016 0.000 1.071 311 T CA -0.692 61.394 62.100 -0.022 0.000 1.128 311 T CB 0.964 69.811 68.868 -0.034 0.000 0.984 311 T HN 0.103 nan 8.240 nan 0.000 0.549 312 P HA -0.113 nan 4.420 nan 0.000 0.215 312 P C 1.436 178.725 177.300 -0.017 0.000 1.157 312 P CA 1.150 64.233 63.100 -0.030 0.000 0.874 312 P CB 0.046 31.695 31.700 -0.085 0.000 0.790 313 E N -0.308 119.869 120.200 -0.038 0.000 2.065 313 E HA -0.229 4.127 4.350 0.009 0.000 0.201 313 E C 2.160 178.766 176.600 0.009 0.000 1.016 313 E CA 1.929 58.316 56.400 -0.022 0.000 0.818 313 E CB -1.269 28.409 29.700 -0.036 0.000 0.749 313 E HN 0.141 nan 8.360 nan 0.000 0.453 314 A N 0.441 123.265 122.820 0.006 0.000 1.908 314 A HA -0.191 4.135 4.320 0.009 0.000 0.218 314 A C 2.243 179.850 177.584 0.038 0.000 1.181 314 A CA 1.514 53.560 52.037 0.016 0.000 0.627 314 A CB -0.745 18.258 19.000 0.005 0.000 0.818 314 A HN 0.213 nan 8.150 nan 0.000 0.445 315 L N -0.312 120.944 121.223 0.055 0.000 2.093 315 L HA -0.114 4.232 4.340 0.009 0.000 0.208 315 L C 2.555 179.550 176.870 0.208 0.000 1.085 315 L CA 1.459 56.359 54.840 0.100 0.000 0.755 315 L CB -0.607 41.515 42.059 0.106 0.000 0.904 315 L HN 0.682 nan 8.230 nan 0.000 0.435 316 I N -3.203 117.483 120.570 0.193 0.000 2.617 316 I HA -0.076 4.099 4.170 0.009 0.000 0.256 316 I C 1.970 178.231 176.117 0.241 0.000 1.167 316 I CA 1.028 62.495 61.300 0.279 0.000 1.469 316 I CB -0.395 37.655 38.000 0.082 0.000 1.098 316 I HN 0.122 nan 8.210 nan 0.000 0.436 317 N N 1.492 120.267 118.700 0.126 0.000 2.223 317 N HA -0.124 4.621 4.740 0.009 0.000 0.185 317 N C 1.734 177.287 175.510 0.072 0.000 1.016 317 N CA 2.147 55.249 53.050 0.087 0.000 0.863 317 N CB -0.263 38.252 38.487 0.047 0.000 0.983 317 N HN 0.713 nan 8.380 nan 0.000 0.429 318 T N -4.168 110.417 114.554 0.051 0.000 3.111 318 T HA 0.340 4.695 4.350 0.009 0.000 0.284 318 T C 0.723 175.358 174.700 -0.109 0.000 0.983 318 T CA -0.429 61.662 62.100 -0.015 0.000 0.900 318 T CB 0.070 68.927 68.868 -0.017 0.000 1.132 318 T HN 0.043 nan 8.240 nan 0.000 0.531 319 G N 0.746 109.438 108.800 -0.180 0.000 2.503 319 G HA2 0.437 4.403 3.960 0.009 0.000 0.257 319 G HA3 0.437 4.403 3.960 0.009 0.000 0.257 319 G C -1.061 173.273 174.900 -0.944 0.000 1.214 319 G CA -0.454 44.249 45.100 -0.662 0.000 0.839 319 G HN 0.307 nan 8.290 nan 0.000 0.559 320 D N 0.536 120.440 120.400 -0.827 0.000 2.428 320 D HA 0.338 4.984 4.640 0.009 0.000 0.221 320 D C -0.410 175.529 176.300 -0.601 0.000 1.123 320 D CA -0.536 53.143 54.000 -0.535 0.000 0.869 320 D CB 0.253 40.892 40.800 -0.268 0.000 1.032 320 D HN 0.105 nan 8.370 nan 0.000 0.506 321 F N 2.622 122.582 119.950 0.016 0.000 2.963 321 F HA 0.242 4.774 4.527 0.009 0.000 0.321 321 F C 1.770 177.584 175.800 0.022 0.000 1.234 321 F CA -0.545 57.469 58.000 0.023 0.000 1.296 321 F CB 0.272 39.295 39.000 0.039 0.000 0.981 321 F HN 0.297 nan 8.300 nan 0.000 0.507 322 Q N 1.584 121.442 119.800 0.096 0.000 2.002 322 Q HA -0.219 4.127 4.340 0.009 0.000 0.204 322 Q C 1.966 178.011 176.000 0.074 0.000 0.988 322 Q CA 2.659 58.501 55.803 0.066 0.000 0.843 322 Q CB -0.099 28.650 28.738 0.018 0.000 0.908 322 Q HN 0.496 nan 8.270 nan 0.000 0.420 323 D N -0.543 119.896 120.400 0.065 0.000 2.144 323 D HA -0.131 4.514 4.640 0.009 0.000 0.200 323 D C 0.258 176.604 176.300 0.077 0.000 0.978 323 D CA 0.056 54.088 54.000 0.053 0.000 0.833 323 D CB -0.700 40.117 40.800 0.029 0.000 0.961 323 D HN 0.196 nan 8.370 nan 0.000 0.470 324 L N 1.233 122.528 121.223 0.119 0.000 2.628 324 L HA -0.004 4.342 4.340 0.009 0.000 0.274 324 L C -0.363 176.595 176.870 0.147 0.000 1.209 324 L CA 0.770 55.695 54.840 0.141 0.000 0.930 324 L CB -0.012 42.159 42.059 0.188 0.000 1.183 324 L HN -0.031 nan 8.230 nan 0.000 0.492 325 Q N 3.183 123.083 119.800 0.168 0.000 2.325 325 Q HA 0.653 4.999 4.340 0.009 0.000 0.262 325 Q C -1.154 175.132 176.000 0.476 0.000 0.968 325 Q CA -0.274 55.685 55.803 0.260 0.000 0.877 325 Q CB 2.157 30.963 28.738 0.113 0.000 1.253 325 Q HN 0.443 nan 8.270 nan 0.000 0.448 326 V N 3.151 123.311 119.914 0.410 0.000 2.638 326 V HA 0.435 4.560 4.120 0.009 0.000 0.306 326 V C -1.379 174.688 176.094 -0.045 0.000 1.052 326 V CA -0.885 61.546 62.300 0.219 0.000 0.885 326 V CB 1.930 33.797 31.823 0.074 0.000 0.999 326 V HN 0.557 nan 8.190 nan 0.000 0.424 327 L N 7.504 128.451 121.223 -0.459 0.000 2.296 327 L HA 0.876 5.221 4.340 0.009 0.000 0.286 327 L C -0.415 176.334 176.870 -0.201 0.000 1.023 327 L CA -0.213 54.282 54.840 -0.575 0.000 0.812 327 L CB 1.542 42.773 42.059 -1.379 0.000 1.223 327 L HN 0.584 nan 8.230 nan 0.000 0.421 328 V N 2.299 122.182 119.914 -0.051 0.000 2.962 328 V HA 1.132 5.258 4.120 0.009 0.000 0.313 328 V C -0.212 175.715 176.094 -0.278 0.000 1.099 328 V CA 0.206 62.462 62.300 -0.074 0.000 0.971 328 V CB 1.219 32.959 31.823 -0.138 0.000 1.028 328 V HN 1.086 nan 8.190 nan 0.000 0.430 329 G N 0.892 109.348 108.800 -0.573 0.000 2.428 329 G HA2 0.808 4.773 3.960 0.009 0.000 0.304 329 G HA3 0.808 4.773 3.960 0.009 0.000 0.304 329 G C -1.143 173.398 174.900 -0.599 0.000 1.303 329 G CA 0.141 44.502 45.100 -1.232 0.000 0.825 329 G HN 2.151 nan 8.290 nan 0.000 0.484 330 V N -2.598 117.085 119.914 -0.385 0.000 3.216 330 V HA 0.894 5.020 4.120 0.009 0.000 0.302 330 V C 0.135 176.384 176.094 0.259 0.000 1.286 330 V CA -0.379 61.938 62.300 0.028 0.000 1.048 330 V CB 1.058 32.885 31.823 0.007 0.000 1.081 330 V HN 1.888 nan 8.190 nan 0.000 0.442 331 V N -0.500 119.593 119.914 0.298 0.000 3.134 331 V HA 0.567 4.692 4.120 0.009 0.000 0.313 331 V C 1.429 177.701 176.094 0.296 0.000 1.069 331 V CA 0.026 62.554 62.300 0.379 0.000 1.048 331 V CB 1.124 33.156 31.823 0.348 0.000 1.119 331 V HN 1.071 nan 8.190 nan 0.000 0.461 332 K N -0.126 120.449 120.400 0.291 0.000 2.063 332 K HA -0.085 4.240 4.320 0.009 0.000 0.208 332 K C 0.334 177.052 176.600 0.198 0.000 1.048 332 K CA 1.961 58.376 56.287 0.215 0.000 0.928 332 K CB 0.039 32.645 32.500 0.177 0.000 0.713 332 K HN 0.908 nan 8.250 nan 0.000 0.442 333 D N 0.970 121.494 120.400 0.206 0.000 2.517 333 D HA 0.035 4.681 4.640 0.009 0.000 0.301 333 D C 0.080 176.515 176.300 0.225 0.000 1.202 333 D CA -0.079 54.035 54.000 0.190 0.000 0.910 333 D CB 1.415 42.302 40.800 0.145 0.000 1.021 333 D HN 0.119 nan 8.370 nan 0.000 0.499 334 E N 0.736 121.091 120.200 0.258 0.000 2.153 334 E HA -0.110 4.246 4.350 0.009 0.000 0.194 334 E C 1.951 178.787 176.600 0.393 0.000 0.988 334 E CA 0.678 57.287 56.400 0.348 0.000 0.811 334 E CB 0.174 30.053 29.700 0.298 0.000 0.746 334 E HN 0.472 nan 8.360 nan 0.000 0.466 335 G N 0.854 109.836 108.800 0.302 0.000 2.603 335 G HA2 -0.144 3.822 3.960 0.009 0.000 0.214 335 G HA3 -0.144 3.822 3.960 0.009 0.000 0.214 335 G C 1.717 176.802 174.900 0.309 0.000 1.140 335 G CA 0.745 46.051 45.100 0.343 0.000 0.800 335 G HN 0.353 nan 8.290 nan 0.000 0.533 336 S N 0.047 115.860 115.700 0.188 0.000 2.368 336 S HA -0.227 4.248 4.470 0.009 0.000 0.225 336 S C 2.088 176.655 174.600 -0.055 0.000 1.030 336 S CA 1.260 59.514 58.200 0.090 0.000 0.999 336 S CB -0.820 62.358 63.200 -0.038 0.000 0.844 336 S HN 0.415 nan 8.310 nan 0.000 0.459 337 Y N 1.820 121.911 120.300 -0.347 0.000 2.102 337 Y HA -0.228 4.327 4.550 0.009 0.000 0.280 337 Y C 1.900 177.572 175.900 -0.381 0.000 1.178 337 Y CA 2.132 59.866 58.100 -0.610 0.000 1.146 337 Y CB -0.565 37.374 38.460 -0.868 0.000 0.968 337 Y HN 0.289 nan 8.280 nan 0.000 0.504 338 F N -0.584 119.476 119.950 0.184 0.000 2.365 338 F HA -0.180 4.352 4.527 0.009 0.000 0.300 338 F C 1.963 177.835 175.800 0.119 0.000 1.090 338 F CA 0.784 58.871 58.000 0.145 0.000 1.408 338 F CB -0.485 38.507 39.000 -0.014 0.000 1.060 338 F HN 0.031 nan 8.300 nan 0.000 0.534 339 L N -0.006 121.314 121.223 0.161 0.000 2.201 339 L HA -0.117 4.228 4.340 0.009 0.000 0.212 339 L C 2.361 179.307 176.870 0.127 0.000 1.105 339 L CA 0.854 55.677 54.840 -0.029 0.000 0.775 339 L CB -0.819 40.976 42.059 -0.441 0.000 0.913 339 L HN 0.204 nan 8.230 nan 0.000 0.440 340 V N -4.766 115.253 119.914 0.175 0.000 3.306 340 V HA -0.135 3.991 4.120 0.009 0.000 0.264 340 V C 1.260 177.297 176.094 -0.094 0.000 1.149 340 V CA 0.640 63.012 62.300 0.120 0.000 1.143 340 V CB -1.017 30.889 31.823 0.139 0.000 0.767 340 V HN 0.290 nan 8.190 nan 0.000 0.476 341 Y N 2.145 122.490 120.300 0.076 0.000 2.676 341 Y HA 0.636 5.192 4.550 0.009 0.000 0.331 341 Y C 1.549 177.452 175.900 0.005 0.000 1.128 341 Y CA 0.297 58.411 58.100 0.024 0.000 1.360 341 Y CB 0.231 38.705 38.460 0.023 0.000 1.176 341 Y HN 0.447 nan 8.280 nan 0.000 0.518 342 G N -0.563 108.304 108.800 0.113 0.000 2.165 342 G HA2 -0.124 3.842 3.960 0.009 0.000 0.144 342 G HA3 -0.124 3.842 3.960 0.009 0.000 0.144 342 G C -0.932 174.026 174.900 0.096 0.000 1.049 342 G CA -0.639 44.510 45.100 0.082 0.000 0.741 342 G HN 0.037 nan 8.290 nan 0.000 0.493 343 V N 1.701 121.697 119.914 0.138 0.000 2.350 343 V HA 0.449 4.574 4.120 0.009 0.000 0.276 343 V C -1.752 174.497 176.094 0.259 0.000 1.028 343 V CA -1.791 60.622 62.300 0.189 0.000 0.860 343 V CB 1.532 33.461 31.823 0.178 0.000 0.990 343 V HN 0.136 nan 8.190 nan 0.000 0.453 344 P HA 0.278 nan 4.420 nan 0.000 0.265 344 P C 1.024 178.382 177.300 0.097 0.000 1.193 344 P CA 1.249 64.414 63.100 0.108 0.000 0.765 344 P CB 0.771 32.509 31.700 0.064 0.000 0.823 345 G N 1.398 110.194 108.800 -0.007 0.000 2.313 345 G HA2 -0.204 3.762 3.960 0.009 0.000 0.215 345 G HA3 -0.204 3.762 3.960 0.009 0.000 0.215 345 G C -0.167 174.517 174.900 -0.359 0.000 1.023 345 G CA -0.573 44.395 45.100 -0.219 0.000 0.626 345 G HN 0.408 nan 8.290 nan 0.000 0.503 346 F N 1.771 121.701 119.950 -0.034 0.000 2.399 346 F HA 0.778 5.310 4.527 0.009 0.000 0.334 346 F C 0.709 176.560 175.800 0.086 0.000 1.097 346 F CA 0.160 58.143 58.000 -0.028 0.000 1.076 346 F CB 2.146 41.174 39.000 0.048 0.000 1.162 346 F HN 0.307 nan 8.300 nan 0.000 0.495 347 S N 1.262 117.171 115.700 0.348 0.000 2.567 347 S HA 0.266 4.741 4.470 0.009 0.000 0.270 347 S C 0.065 174.942 174.600 0.462 0.000 1.152 347 S CA -0.833 57.573 58.200 0.343 0.000 0.835 347 S CB 1.359 64.663 63.200 0.174 0.000 1.115 347 S HN 0.747 nan 8.310 nan 0.000 0.459 348 K N 0.938 121.478 120.400 0.234 0.000 2.366 348 K HA 0.141 4.467 4.320 0.009 0.000 0.198 348 K C 0.194 176.771 176.600 -0.038 0.000 1.044 348 K CA 1.105 57.418 56.287 0.043 0.000 0.973 348 K CB -0.143 32.081 32.500 -0.460 0.000 0.767 348 K HN 0.463 nan 8.250 nan 0.000 0.475 349 D N 0.896 121.272 120.400 -0.040 0.000 2.354 349 D HA -0.007 4.639 4.640 0.009 0.000 0.209 349 D C -0.101 176.205 176.300 0.010 0.000 1.015 349 D CA 0.415 54.375 54.000 -0.066 0.000 0.867 349 D CB 0.053 40.800 40.800 -0.088 0.000 0.933 349 D HN 0.505 nan 8.370 nan 0.000 0.520 350 N N -0.940 117.804 118.700 0.072 0.000 3.102 350 N HA 0.108 4.853 4.740 0.009 0.000 0.299 350 N C 0.445 175.998 175.510 0.071 0.000 1.482 350 N CA -0.556 52.519 53.050 0.042 0.000 0.785 350 N CB 0.824 39.292 38.487 -0.031 0.000 1.680 350 N HN -0.412 nan 8.380 nan 0.000 0.594 351 E N -0.451 119.717 120.200 -0.053 0.000 2.427 351 E HA -0.000 4.356 4.350 0.009 0.000 0.196 351 E C -0.369 175.858 176.600 -0.621 0.000 1.028 351 E CA 0.579 56.874 56.400 -0.174 0.000 0.864 351 E CB -0.562 29.080 29.700 -0.097 0.000 0.813 351 E HN 0.611 nan 8.360 nan 0.000 0.514 352 S N 0.300 115.663 115.700 -0.562 0.000 3.614 352 S HA -0.195 4.281 4.470 0.009 0.000 0.360 352 S C 0.433 174.593 174.600 -0.733 0.000 1.023 352 S CA 0.194 57.934 58.200 -0.765 0.000 1.114 352 S CB -2.176 60.337 63.200 -1.144 0.000 0.907 352 S HN 0.310 nan 8.310 nan 0.000 0.470 353 L N 1.544 122.493 121.223 -0.458 0.000 2.477 353 L HA 0.383 4.729 4.340 0.009 0.000 0.272 353 L C 0.767 177.422 176.870 -0.357 0.000 1.157 353 L CA 0.132 54.767 54.840 -0.342 0.000 0.889 353 L CB 0.011 41.942 42.059 -0.213 0.000 1.158 353 L HN 0.494 nan 8.230 nan 0.000 0.473 354 I N 0.153 120.516 120.570 -0.345 0.000 2.910 354 I HA 0.657 4.833 4.170 0.009 0.000 0.310 354 I C 0.386 176.420 176.117 -0.139 0.000 1.043 354 I CA -0.658 60.466 61.300 -0.294 0.000 1.053 354 I CB 2.066 39.838 38.000 -0.381 0.000 1.242 354 I HN 0.552 nan 8.210 nan 0.000 0.452 355 S N 2.368 118.020 115.700 -0.080 0.000 2.669 355 S HA 0.404 4.879 4.470 0.009 0.000 0.270 355 S C 0.892 175.517 174.600 0.041 0.000 1.225 355 S CA -0.502 57.683 58.200 -0.025 0.000 0.991 355 S CB 1.576 64.766 63.200 -0.017 0.000 0.987 355 S HN 0.878 nan 8.310 nan 0.000 0.552 356 R N 0.316 120.847 120.500 0.052 0.000 2.120 356 R HA -0.022 4.324 4.340 0.009 0.000 0.234 356 R C 2.237 178.637 176.300 0.167 0.000 1.123 356 R CA 1.458 57.630 56.100 0.119 0.000 0.975 356 R CB -1.034 29.312 30.300 0.078 0.000 0.866 356 R HN 0.818 nan 8.270 nan 0.000 0.446 357 A N 0.557 123.436 122.820 0.099 0.000 1.873 357 A HA -0.197 4.128 4.320 0.009 0.000 0.215 357 A C 2.009 179.648 177.584 0.091 0.000 1.186 357 A CA 1.469 53.555 52.037 0.082 0.000 0.616 357 A CB -0.500 18.529 19.000 0.048 0.000 0.823 357 A HN 0.492 nan 8.150 nan 0.000 0.442 358 Q N -1.840 118.013 119.800 0.087 0.000 2.226 358 Q HA -0.129 4.216 4.340 0.009 0.000 0.204 358 Q C 1.808 177.922 176.000 0.189 0.000 0.975 358 Q CA 1.434 57.295 55.803 0.098 0.000 0.866 358 Q CB -0.280 28.476 28.738 0.031 0.000 0.915 358 Q HN 0.808 nan 8.270 nan 0.000 0.440 359 F N 0.900 120.885 119.950 0.058 0.000 2.098 359 F HA -0.153 4.379 4.527 0.009 0.000 0.294 359 F C 1.757 177.601 175.800 0.073 0.000 1.107 359 F CA 0.917 58.966 58.000 0.083 0.000 1.234 359 F CB 0.068 39.100 39.000 0.055 0.000 1.002 359 F HN -0.058 nan 8.300 nan 0.000 0.472 360 L N 0.330 121.528 121.223 -0.043 0.000 2.079 360 L HA -0.244 4.102 4.340 0.009 0.000 0.210 360 L C 2.795 179.605 176.870 -0.100 0.000 1.081 360 L CA 1.230 55.995 54.840 -0.125 0.000 0.752 360 L CB -1.339 40.729 42.059 0.016 0.000 0.896 360 L HN 0.292 nan 8.230 nan 0.000 0.433 361 A N 0.342 123.147 122.820 -0.025 0.000 1.929 361 A HA -0.043 4.282 4.320 0.009 0.000 0.216 361 A C 2.428 180.005 177.584 -0.012 0.000 1.176 361 A CA 1.441 53.475 52.037 -0.004 0.000 0.628 361 A CB -1.090 17.928 19.000 0.031 0.000 0.816 361 A HN 0.422 nan 8.150 nan 0.000 0.444 362 G N -0.512 108.287 108.800 -0.000 0.000 2.422 362 G HA2 -0.102 3.864 3.960 0.009 0.000 0.218 362 G HA3 -0.102 3.864 3.960 0.009 0.000 0.218 362 G C 1.467 176.315 174.900 -0.087 0.000 1.146 362 G CA 1.206 46.313 45.100 0.011 0.000 0.769 362 G HN 0.300 nan 8.290 nan 0.000 0.547 363 V N 0.806 120.592 119.914 -0.215 0.000 2.407 363 V HA -0.119 4.007 4.120 0.009 0.000 0.248 363 V C 2.979 179.012 176.094 -0.102 0.000 1.055 363 V CA 1.554 63.723 62.300 -0.218 0.000 1.049 363 V CB -0.366 31.241 31.823 -0.359 0.000 0.662 363 V HN 0.192 nan 8.190 nan 0.000 0.455 364 R N -0.046 120.409 120.500 -0.076 0.000 2.096 364 R HA 0.019 4.364 4.340 0.009 0.000 0.235 364 R C 2.013 178.302 176.300 -0.019 0.000 1.127 364 R CA 1.415 57.495 56.100 -0.035 0.000 0.968 364 R CB -0.801 29.487 30.300 -0.020 0.000 0.861 364 R HN 0.499 nan 8.270 nan 0.000 0.440 365 I N -0.822 119.738 120.570 -0.016 0.000 2.400 365 I HA -0.028 4.148 4.170 0.009 0.000 0.248 365 I C 2.309 178.423 176.117 -0.005 0.000 1.109 365 I CA 1.228 62.528 61.300 -0.001 0.000 1.425 365 I CB -0.576 37.433 38.000 0.015 0.000 1.094 365 I HN 0.165 nan 8.210 nan 0.000 0.425 366 G N 0.761 109.551 108.800 -0.018 0.000 2.443 366 G HA2 -0.078 3.887 3.960 0.009 0.000 0.219 366 G HA3 -0.078 3.887 3.960 0.009 0.000 0.219 366 G C 0.916 175.817 174.900 0.002 0.000 1.131 366 G CA 0.551 45.642 45.100 -0.015 0.000 0.775 366 G HN 0.268 nan 8.290 nan 0.000 0.547 367 V N 1.644 121.545 119.914 -0.022 0.000 2.446 367 V HA 0.224 4.350 4.120 0.009 0.000 0.257 367 V C -1.507 174.583 176.094 -0.007 0.000 1.036 367 V CA -1.104 61.167 62.300 -0.048 0.000 1.196 367 V CB 1.323 33.090 31.823 -0.092 0.000 1.446 367 V HN 0.089 nan 8.190 nan 0.000 0.558 368 P HA -0.100 nan 4.420 nan 0.000 0.228 368 P C 1.000 178.306 177.300 0.010 0.000 1.151 368 P CA 0.943 64.048 63.100 0.008 0.000 0.770 368 P CB 0.581 32.285 31.700 0.005 0.000 0.786 369 Q N -0.388 119.426 119.800 0.024 0.000 2.425 369 Q HA 0.250 4.596 4.340 0.009 0.000 0.204 369 Q C 0.892 176.896 176.000 0.006 0.000 0.933 369 Q CA 0.021 55.835 55.803 0.019 0.000 0.939 369 Q CB -0.449 28.314 28.738 0.040 0.000 1.044 369 Q HN 0.161 nan 8.270 nan 0.000 0.513 370 A N 0.878 123.699 122.820 0.001 0.000 2.450 370 A HA 0.421 4.746 4.320 0.009 0.000 0.255 370 A C 0.530 178.110 177.584 -0.005 0.000 1.096 370 A CA -0.166 51.867 52.037 -0.007 0.000 0.778 370 A CB 0.108 19.106 19.000 -0.004 0.000 1.031 370 A HN 0.349 nan 8.150 nan 0.000 0.494 371 S N 1.997 117.691 115.700 -0.010 0.000 2.634 371 S HA 0.064 4.540 4.470 0.009 0.000 0.254 371 S C 0.533 175.136 174.600 0.006 0.000 1.299 371 S CA 0.403 58.600 58.200 -0.005 0.000 0.974 371 S CB 0.233 63.425 63.200 -0.013 0.000 1.001 371 S HN 0.634 nan 8.310 nan 0.000 0.584 372 D N -0.043 120.363 120.400 0.010 0.000 2.117 372 D HA -0.057 4.588 4.640 0.009 0.000 0.197 372 D C 1.771 178.091 176.300 0.035 0.000 0.987 372 D CA 0.925 54.937 54.000 0.021 0.000 0.829 372 D CB -0.500 40.312 40.800 0.020 0.000 0.961 372 D HN 0.393 nan 8.370 nan 0.000 0.460 373 L N 0.809 122.053 121.223 0.034 0.000 2.056 373 L HA -0.000 4.345 4.340 0.009 0.000 0.207 373 L C 2.104 179.019 176.870 0.076 0.000 1.078 373 L CA 1.638 56.511 54.840 0.055 0.000 0.749 373 L CB -0.907 41.180 42.059 0.045 0.000 0.901 373 L HN -0.029 nan 8.230 nan 0.000 0.433 374 A N -0.388 122.457 122.820 0.041 0.000 1.883 374 A HA -0.170 4.156 4.320 0.009 0.000 0.217 374 A C 2.445 180.080 177.584 0.086 0.000 1.186 374 A CA 2.077 54.139 52.037 0.042 0.000 0.624 374 A CB -1.234 17.751 19.000 -0.024 0.000 0.822 374 A HN 0.563 nan 8.150 nan 0.000 0.444 375 A N -0.616 122.237 122.820 0.056 0.000 1.930 375 A HA -0.110 4.216 4.320 0.009 0.000 0.217 375 A C 1.939 179.567 177.584 0.075 0.000 1.175 375 A CA 2.066 54.132 52.037 0.048 0.000 0.627 375 A CB -0.461 18.546 19.000 0.013 0.000 0.815 375 A HN 0.564 nan 8.150 nan 0.000 0.443 376 E N 0.402 120.656 120.200 0.091 0.000 2.058 376 E HA -0.121 4.235 4.350 0.009 0.000 0.194 376 E C 2.053 178.752 176.600 0.164 0.000 0.997 376 E CA 1.720 58.192 56.400 0.120 0.000 0.801 376 E CB -0.476 29.289 29.700 0.108 0.000 0.746 376 E HN 0.478 nan 8.360 nan 0.000 0.450 377 A N 0.019 122.959 122.820 0.199 0.000 1.883 377 A HA -0.182 4.144 4.320 0.009 0.000 0.217 377 A C 2.519 180.202 177.584 0.165 0.000 1.186 377 A CA 1.837 54.031 52.037 0.262 0.000 0.624 377 A CB -0.917 18.383 19.000 0.501 0.000 0.822 377 A HN 0.207 nan 8.150 nan 0.000 0.444 378 V N -0.487 119.554 119.914 0.211 0.000 2.255 378 V HA -0.254 3.872 4.120 0.009 0.000 0.247 378 V C 2.563 178.813 176.094 0.261 0.000 1.051 378 V CA 2.079 64.474 62.300 0.158 0.000 1.018 378 V CB -0.919 30.998 31.823 0.157 0.000 0.641 378 V HN 0.369 nan 8.190 nan 0.000 0.445 379 V N -0.467 119.565 119.914 0.196 0.000 2.332 379 V HA -0.242 3.884 4.120 0.009 0.000 0.248 379 V C 2.378 178.695 176.094 0.372 0.000 1.055 379 V CA 1.687 64.152 62.300 0.275 0.000 1.038 379 V CB -0.470 31.453 31.823 0.167 0.000 0.651 379 V HN 0.401 nan 8.190 nan 0.000 0.450 380 L N -0.443 120.978 121.223 0.330 0.000 1.994 380 L HA -0.237 4.109 4.340 0.009 0.000 0.208 380 L C 2.517 179.594 176.870 0.345 0.000 1.071 380 L CA 2.718 57.817 54.840 0.431 0.000 0.745 380 L CB -1.213 41.010 42.059 0.273 0.000 0.892 380 L HN 0.510 nan 8.230 nan 0.000 0.431 381 H N -1.186 117.885 119.070 0.002 0.000 2.387 381 H HA -0.223 4.338 4.556 0.008 0.000 0.299 381 H C 1.814 177.052 175.328 -0.149 0.000 1.099 381 H CA 2.066 57.977 56.048 -0.228 0.000 1.315 381 H CB -0.001 29.293 29.762 -0.780 0.000 1.380 381 H HN 0.268 nan 8.280 nan 0.000 0.513 382 Y N -0.350 120.039 120.300 0.148 0.000 2.478 382 Y HA 0.148 4.705 4.550 0.011 0.000 0.261 382 Y C 0.821 176.788 175.900 0.113 0.000 1.127 382 Y CA 0.270 58.484 58.100 0.190 0.000 1.288 382 Y CB 0.319 39.005 38.460 0.377 0.000 1.084 382 Y HN 0.023 nan 8.280 nan 0.000 0.530 383 T N 1.593 116.192 114.554 0.076 0.000 2.888 383 T HA -0.055 4.300 4.350 0.009 0.000 0.301 383 T C -0.240 174.128 174.700 -0.553 0.000 1.001 383 T CA -0.131 61.742 62.100 -0.380 0.000 1.147 383 T CB 0.213 68.472 68.868 -1.014 0.000 0.931 383 T HN 0.080 nan 8.240 nan 0.000 0.541 384 D N 2.351 122.365 120.400 -0.644 0.000 2.393 384 D HA 0.097 4.743 4.640 0.009 0.000 0.232 384 D C 0.162 176.136 176.300 -0.545 0.000 1.192 384 D CA -0.812 52.812 54.000 -0.627 0.000 0.882 384 D CB 0.234 40.490 40.800 -0.906 0.000 1.038 384 D HN 0.600 nan 8.370 nan 0.000 0.499 385 W N 3.095 124.297 121.300 -0.164 0.000 2.632 385 W HA 0.004 4.668 4.660 0.008 0.000 0.248 385 W C 1.782 178.186 176.519 -0.193 0.000 1.259 385 W CA -0.234 57.028 57.345 -0.138 0.000 1.288 385 W CB -0.187 29.212 29.460 -0.103 0.000 1.136 385 W HN 0.421 nan 8.180 nan 0.000 0.640 386 L N -1.216 119.911 121.223 -0.161 0.000 2.095 386 L HA -0.095 4.251 4.340 0.009 0.000 0.204 386 L C 0.448 176.948 176.870 -0.617 0.000 1.080 386 L CA 1.289 55.871 54.840 -0.431 0.000 0.759 386 L CB -0.445 41.238 42.059 -0.627 0.000 0.914 386 L HN 0.020 nan 8.230 nan 0.000 0.439 387 H N -1.867 117.114 119.070 -0.148 0.000 2.439 387 H HA 0.178 4.739 4.556 0.009 0.000 0.230 387 H C -1.902 173.297 175.328 -0.214 0.000 1.420 387 H CA -1.520 54.440 56.048 -0.148 0.000 1.305 387 H CB -0.048 29.630 29.762 -0.141 0.000 1.667 387 H HN -0.022 nan 8.280 nan 0.000 0.515 388 P HA -0.148 nan 4.420 nan 0.000 0.228 388 P C 0.685 177.895 177.300 -0.150 0.000 1.151 388 P CA 1.117 64.059 63.100 -0.264 0.000 0.770 388 P CB 0.682 32.249 31.700 -0.222 0.000 0.786 389 E N -0.751 119.412 120.200 -0.062 0.000 2.498 389 E HA 0.037 4.392 4.350 0.009 0.000 0.203 389 E C 0.304 176.884 176.600 -0.034 0.000 1.013 389 E CA -0.078 56.301 56.400 -0.035 0.000 0.927 389 E CB 0.078 29.774 29.700 -0.006 0.000 1.012 389 E HN 0.319 nan 8.360 nan 0.000 0.482 390 D N 2.126 122.510 120.400 -0.027 0.000 2.371 390 D HA 0.010 4.656 4.640 0.009 0.000 0.256 390 D C -1.745 174.530 176.300 -0.042 0.000 1.193 390 D CA -1.705 52.278 54.000 -0.029 0.000 0.881 390 D CB 1.784 42.565 40.800 -0.032 0.000 1.143 390 D HN -0.123 nan 8.370 nan 0.000 0.473 391 P HA -0.072 nan 4.420 nan 0.000 0.217 391 P C 1.296 178.531 177.300 -0.108 0.000 1.151 391 P CA 0.898 63.938 63.100 -0.099 0.000 0.828 391 P CB 0.269 31.904 31.700 -0.110 0.000 0.788 392 T N -1.655 112.854 114.554 -0.074 0.000 2.737 392 T HA -0.182 4.174 4.350 0.009 0.000 0.265 392 T C 1.733 176.415 174.700 -0.030 0.000 1.038 392 T CA 1.631 63.698 62.100 -0.055 0.000 1.144 392 T CB -0.983 67.865 68.868 -0.033 0.000 0.866 392 T HN 0.267 nan 8.240 nan 0.000 0.434 393 H N 1.111 120.124 119.070 -0.094 0.000 2.293 393 H HA 0.044 4.605 4.556 0.008 0.000 0.300 393 H C 2.047 177.290 175.328 -0.141 0.000 1.082 393 H CA 1.463 57.455 56.048 -0.095 0.000 1.308 393 H CB -0.600 29.093 29.762 -0.115 0.000 1.375 393 H HN 0.226 nan 8.280 nan 0.000 0.495 394 L N 0.222 121.299 121.223 -0.244 0.000 2.079 394 L HA -0.214 4.131 4.340 0.009 0.000 0.210 394 L C 2.947 179.705 176.870 -0.186 0.000 1.081 394 L CA 1.647 56.237 54.840 -0.416 0.000 0.752 394 L CB -0.527 41.363 42.059 -0.282 0.000 0.896 394 L HN 0.343 nan 8.230 nan 0.000 0.433 395 R N 0.502 120.956 120.500 -0.078 0.000 2.070 395 R HA -0.185 4.160 4.340 0.009 0.000 0.233 395 R C 1.671 178.070 176.300 0.166 0.000 1.137 395 R CA 2.180 58.342 56.100 0.102 0.000 0.945 395 R CB -0.435 29.806 30.300 -0.099 0.000 0.845 395 R HN 0.346 nan 8.270 nan 0.000 0.430 396 D N 0.409 120.827 120.400 0.030 0.000 2.219 396 D HA -0.083 4.563 4.640 0.009 0.000 0.205 396 D C 1.684 177.994 176.300 0.016 0.000 0.970 396 D CA 1.304 55.343 54.000 0.065 0.000 0.851 396 D CB -0.124 40.698 40.800 0.038 0.000 0.943 396 D HN 0.397 nan 8.370 nan 0.000 0.488 397 A N 0.631 123.353 122.820 -0.164 0.000 1.897 397 A HA -0.108 4.218 4.320 0.009 0.000 0.215 397 A C 2.129 179.808 177.584 0.158 0.000 1.181 397 A CA 1.188 53.172 52.037 -0.087 0.000 0.620 397 A CB -0.414 18.306 19.000 -0.467 0.000 0.821 397 A HN 0.121 nan 8.150 nan 0.000 0.443 398 M N 0.114 119.870 119.600 0.260 0.000 2.108 398 M HA -0.110 4.375 4.480 0.009 0.000 0.261 398 M C 2.293 178.630 176.300 0.061 0.000 1.066 398 M CA 2.148 57.616 55.300 0.280 0.000 1.107 398 M CB -0.563 32.247 32.600 0.350 0.000 1.356 398 M HN 0.414 nan 8.290 nan 0.000 0.406 399 S N -0.355 115.395 115.700 0.083 0.000 2.356 399 S HA -0.092 4.383 4.470 0.009 0.000 0.223 399 S C 2.070 176.736 174.600 0.110 0.000 1.032 399 S CA 1.551 59.815 58.200 0.106 0.000 1.005 399 S CB -0.634 62.693 63.200 0.210 0.000 0.867 399 S HN 0.627 nan 8.310 nan 0.000 0.449 400 A N 0.897 123.797 122.820 0.134 0.000 1.908 400 A HA -0.018 4.307 4.320 0.009 0.000 0.218 400 A C 2.375 180.007 177.584 0.079 0.000 1.181 400 A CA 1.857 54.011 52.037 0.196 0.000 0.627 400 A CB -1.162 18.059 19.000 0.368 0.000 0.818 400 A HN 0.469 nan 8.150 nan 0.000 0.445 401 V N -0.543 119.265 119.914 -0.177 0.000 2.287 401 V HA -0.243 3.883 4.120 0.009 0.000 0.248 401 V C 2.564 178.569 176.094 -0.149 0.000 1.053 401 V CA 2.156 64.257 62.300 -0.331 0.000 1.027 401 V CB -0.669 30.962 31.823 -0.320 0.000 0.646 401 V HN 0.386 nan 8.190 nan 0.000 0.447 402 V N 0.437 120.304 119.914 -0.079 0.000 2.407 402 V HA -0.073 4.053 4.120 0.009 0.000 0.245 402 V C 2.607 178.640 176.094 -0.101 0.000 1.041 402 V CA 1.890 64.147 62.300 -0.071 0.000 1.040 402 V CB -1.224 30.605 31.823 0.011 0.000 0.671 402 V HN 0.599 nan 8.190 nan 0.000 0.455 403 G N 0.052 108.855 108.800 0.006 0.000 2.459 403 G HA2 -0.276 3.690 3.960 0.009 0.000 0.217 403 G HA3 -0.276 3.690 3.960 0.009 0.000 0.217 403 G C 1.237 176.096 174.900 -0.069 0.000 1.183 403 G CA 1.238 46.361 45.100 0.038 0.000 0.776 403 G HN 0.503 nan 8.290 nan 0.000 0.552 404 D N -0.415 119.939 120.400 -0.075 0.000 2.117 404 D HA -0.064 4.582 4.640 0.009 0.000 0.198 404 D C 2.113 178.109 176.300 -0.506 0.000 0.982 404 D CA 1.248 55.161 54.000 -0.144 0.000 0.828 404 D CB -0.471 40.394 40.800 0.109 0.000 0.967 404 D HN 0.427 nan 8.370 nan 0.000 0.464 405 H N 0.850 119.350 119.070 -0.949 0.000 2.389 405 H HA 0.040 4.602 4.556 0.009 0.000 0.299 405 H C 1.444 176.371 175.328 -0.668 0.000 1.081 405 H CA 1.507 56.802 56.048 -1.256 0.000 1.345 405 H CB 0.109 29.054 29.762 -1.362 0.000 1.393 405 H HN -0.021 nan 8.280 nan 0.000 0.520 406 N N -0.864 117.410 118.700 -0.710 0.000 2.409 406 N HA 0.014 4.759 4.740 0.009 0.000 0.174 406 N C 1.160 176.427 175.510 -0.405 0.000 1.037 406 N CA 1.057 53.628 53.050 -0.798 0.000 0.898 406 N CB 1.101 38.604 38.487 -1.639 0.000 1.010 406 N HN 0.276 nan 8.380 nan 0.000 0.445 407 V N -0.540 119.207 119.914 -0.279 0.000 3.278 407 V HA 0.064 4.190 4.120 0.009 0.000 0.215 407 V C 2.132 178.187 176.094 -0.066 0.000 1.287 407 V CA 0.192 62.457 62.300 -0.058 0.000 1.302 407 V CB -0.066 31.811 31.823 0.090 0.000 1.228 407 V HN -0.180 nan 8.190 nan 0.000 0.523 408 V N 0.062 119.939 119.914 -0.062 0.000 2.343 408 V HA -0.279 3.847 4.120 0.009 0.000 0.247 408 V C 2.469 178.526 176.094 -0.061 0.000 1.051 408 V CA 2.551 64.826 62.300 -0.042 0.000 1.036 408 V CB -0.780 31.049 31.823 0.010 0.000 0.654 408 V HN 0.662 nan 8.190 nan 0.000 0.451 409 c N -0.573 117.979 118.600 -0.078 0.000 2.486 409 c HA 0.037 4.613 4.570 0.009 0.000 0.279 409 c C 0.605 174.658 174.090 -0.061 0.000 1.302 409 c CA 0.744 57.056 56.329 -0.028 0.000 1.720 409 c CB -1.754 40.775 42.510 0.032 0.000 2.030 409 c HN 0.439 nan 8.230 nan 0.000 0.490 410 P HA -0.124 nan 4.420 nan 0.000 0.216 410 P C 1.741 178.971 177.300 -0.118 0.000 1.157 410 P CA 1.616 64.631 63.100 -0.142 0.000 0.880 410 P CB -0.183 31.395 31.700 -0.203 0.000 0.791 411 V N -0.261 119.586 119.914 -0.112 0.000 2.343 411 V HA -0.266 3.860 4.120 0.009 0.000 0.247 411 V C 2.436 178.433 176.094 -0.162 0.000 1.051 411 V CA 2.233 64.453 62.300 -0.134 0.000 1.036 411 V CB -1.701 30.039 31.823 -0.139 0.000 0.654 411 V HN 0.115 nan 8.190 nan 0.000 0.451 412 A N -0.427 122.317 122.820 -0.127 0.000 1.877 412 A HA -0.304 4.022 4.320 0.009 0.000 0.216 412 A C 2.183 179.744 177.584 -0.039 0.000 1.186 412 A CA 2.189 54.166 52.037 -0.098 0.000 0.620 412 A CB -0.600 18.391 19.000 -0.015 0.000 0.822 412 A HN 0.535 nan 8.150 nan 0.000 0.443 413 Q N -0.477 119.310 119.800 -0.021 0.000 2.061 413 Q HA -0.177 4.168 4.340 0.009 0.000 0.204 413 Q C 1.867 177.853 176.000 -0.024 0.000 0.984 413 Q CA 2.038 57.840 55.803 -0.002 0.000 0.846 413 Q CB -0.580 28.151 28.738 -0.012 0.000 0.902 413 Q HN 0.528 nan 8.270 nan 0.000 0.421 414 L N 0.094 121.272 121.223 -0.074 0.000 1.994 414 L HA -0.063 4.282 4.340 0.009 0.000 0.208 414 L C 2.168 178.980 176.870 -0.096 0.000 1.071 414 L CA 2.423 57.203 54.840 -0.099 0.000 0.745 414 L CB -1.242 40.737 42.059 -0.132 0.000 0.892 414 L HN 0.265 nan 8.230 nan 0.000 0.431 415 A N -0.477 122.255 122.820 -0.147 0.000 1.883 415 A HA -0.143 4.183 4.320 0.009 0.000 0.217 415 A C 2.343 179.975 177.584 0.080 0.000 1.186 415 A CA 1.885 53.805 52.037 -0.195 0.000 0.624 415 A CB -1.742 16.870 19.000 -0.645 0.000 0.822 415 A HN 0.574 nan 8.150 nan 0.000 0.444 416 G N -0.576 108.321 108.800 0.162 0.000 2.459 416 G HA2 -0.258 3.708 3.960 0.009 0.000 0.217 416 G HA3 -0.258 3.708 3.960 0.009 0.000 0.217 416 G C 1.677 176.676 174.900 0.165 0.000 1.183 416 G CA 1.068 46.331 45.100 0.271 0.000 0.776 416 G HN 0.409 nan 8.290 nan 0.000 0.552 417 R N 0.367 120.929 120.500 0.103 0.000 2.070 417 R HA 0.092 4.437 4.340 0.009 0.000 0.233 417 R C 2.737 179.124 176.300 0.145 0.000 1.137 417 R CA 0.641 56.808 56.100 0.112 0.000 0.945 417 R CB -1.402 28.955 30.300 0.096 0.000 0.845 417 R HN 0.427 nan 8.270 nan 0.000 0.430 418 L N 0.274 121.535 121.223 0.064 0.000 2.012 418 L HA -0.194 4.151 4.340 0.009 0.000 0.210 418 L C 2.572 179.526 176.870 0.141 0.000 1.073 418 L CA 1.680 56.546 54.840 0.043 0.000 0.748 418 L CB -0.847 41.126 42.059 -0.144 0.000 0.891 418 L HN 0.182 nan 8.230 nan 0.000 0.431 419 A N 0.305 123.210 122.820 0.141 0.000 1.865 419 A HA -0.226 4.099 4.320 0.009 0.000 0.217 419 A C 2.492 180.143 177.584 0.111 0.000 1.191 419 A CA 1.951 54.071 52.037 0.139 0.000 0.623 419 A CB -0.918 18.196 19.000 0.190 0.000 0.826 419 A HN 0.424 nan 8.150 nan 0.000 0.444 420 A N -1.484 121.404 122.820 0.113 0.000 2.194 420 A HA -0.142 4.184 4.320 0.009 0.000 0.220 420 A C 1.664 179.306 177.584 0.096 0.000 1.162 420 A CA 1.694 53.784 52.037 0.089 0.000 0.674 420 A CB -0.364 18.688 19.000 0.086 0.000 0.789 420 A HN 0.684 nan 8.150 nan 0.000 0.470 421 Q N -2.307 117.579 119.800 0.144 0.000 2.115 421 Q HA 0.399 4.745 4.340 0.009 0.000 0.249 421 Q C 0.705 176.795 176.000 0.151 0.000 0.830 421 Q CA 0.300 56.189 55.803 0.144 0.000 1.104 421 Q CB 0.800 29.657 28.738 0.199 0.000 1.207 421 Q HN 0.751 nan 8.270 nan 0.000 0.464 422 G N 0.043 108.918 108.800 0.124 0.000 2.195 422 G HA2 -0.237 3.728 3.960 0.009 0.000 0.224 422 G HA3 -0.237 3.728 3.960 0.009 0.000 0.224 422 G C 0.282 175.256 174.900 0.123 0.000 0.990 422 G CA -0.200 44.963 45.100 0.104 0.000 0.639 422 G HN 0.511 nan 8.290 nan 0.000 0.514 423 A N -0.028 122.885 122.820 0.155 0.000 2.322 423 A HA 0.768 5.094 4.320 0.009 0.000 0.269 423 A C 0.562 178.195 177.584 0.081 0.000 1.094 423 A CA 0.230 52.347 52.037 0.133 0.000 0.807 423 A CB 0.412 19.481 19.000 0.115 0.000 1.047 423 A HN 0.640 nan 8.150 nan 0.000 0.487 424 R N 1.526 122.073 120.500 0.078 0.000 2.196 424 R HA 0.477 4.823 4.340 0.009 0.000 0.340 424 R C -1.389 174.928 176.300 0.029 0.000 1.043 424 R CA -0.043 56.071 56.100 0.023 0.000 0.883 424 R CB 0.371 30.715 30.300 0.075 0.000 1.078 424 R HN 0.464 nan 8.270 nan 0.000 0.462 425 V N 5.959 125.832 119.914 -0.067 0.000 2.417 425 V HA 0.359 4.485 4.120 0.009 0.000 0.291 425 V C -0.916 175.067 176.094 -0.184 0.000 1.024 425 V CA -0.722 61.563 62.300 -0.025 0.000 0.861 425 V CB 1.335 33.200 31.823 0.069 0.000 0.985 425 V HN 0.634 nan 8.190 nan 0.000 0.436 426 Y N 2.399 122.686 120.300 -0.021 0.000 2.377 426 Y HA 0.774 5.329 4.550 0.009 0.000 0.339 426 Y C 0.375 176.396 175.900 0.202 0.000 1.011 426 Y CA -0.548 57.539 58.100 -0.022 0.000 1.093 426 Y CB 2.105 40.186 38.460 -0.632 0.000 1.201 426 Y HN 0.720 nan 8.280 nan 0.000 0.455 427 A N 3.348 126.609 122.820 0.735 0.000 2.371 427 A HA 0.805 5.130 4.320 0.009 0.000 0.311 427 A C -1.843 176.121 177.584 0.632 0.000 1.068 427 A CA -0.686 51.633 52.037 0.469 0.000 0.744 427 A CB 0.734 19.841 19.000 0.179 0.000 1.239 427 A HN 0.745 nan 8.150 nan 0.000 0.435 428 Y N 0.002 120.522 120.300 0.368 0.000 2.581 428 Y HA 0.801 5.355 4.550 0.007 0.000 0.345 428 Y C -1.087 174.963 175.900 0.250 0.000 1.036 428 Y CA -1.617 56.632 58.100 0.249 0.000 1.042 428 Y CB 1.463 40.068 38.460 0.242 0.000 1.289 428 Y HN 0.645 nan 8.280 nan 0.000 0.471 429 I N 3.990 124.822 120.570 0.436 0.000 2.418 429 I HA 0.405 4.581 4.170 0.009 0.000 0.287 429 I C -1.739 174.688 176.117 0.517 0.000 1.008 429 I CA -0.982 60.541 61.300 0.372 0.000 1.104 429 I CB 0.845 39.019 38.000 0.291 0.000 1.264 429 I HN 0.763 nan 8.210 nan 0.000 0.438 430 F N 7.490 127.723 119.950 0.472 0.000 2.411 430 F HA 0.359 4.892 4.527 0.010 0.000 0.355 430 F C 0.565 176.520 175.800 0.257 0.000 1.117 430 F CA 0.125 58.358 58.000 0.388 0.000 1.139 430 F CB 0.840 40.101 39.000 0.434 0.000 1.120 430 F HN 0.535 nan 8.300 nan 0.000 0.493 431 E N 2.908 123.017 120.200 -0.150 0.000 2.676 431 E HA -0.004 4.352 4.350 0.009 0.000 0.222 431 E C -0.779 175.719 176.600 -0.169 0.000 0.968 431 E CA -0.228 56.145 56.400 -0.046 0.000 1.090 431 E CB 0.272 29.965 29.700 -0.013 0.000 1.066 431 E HN 0.549 nan 8.360 nan 0.000 0.496 432 H N 2.003 120.729 119.070 -0.575 0.000 2.562 432 H HA 0.230 4.791 4.556 0.009 0.000 0.314 432 H C -0.308 174.983 175.328 -0.062 0.000 1.079 432 H CA -0.451 55.328 56.048 -0.449 0.000 1.349 432 H CB 0.613 29.873 29.762 -0.837 0.000 1.432 432 H HN -0.116 nan 8.280 nan 0.000 0.479 433 R N 4.231 124.330 120.500 -0.670 0.000 2.221 433 R HA 0.495 4.840 4.340 0.009 0.000 0.327 433 R C -0.619 175.413 176.300 -0.447 0.000 1.033 433 R CA -0.646 55.261 56.100 -0.321 0.000 0.887 433 R CB 0.448 30.648 30.300 -0.167 0.000 1.057 433 R HN 0.808 nan 8.270 nan 0.000 0.455 434 A N 3.240 126.135 122.820 0.125 0.000 2.567 434 A HA -0.013 4.312 4.320 0.009 0.000 0.240 434 A C 1.378 179.081 177.584 0.198 0.000 1.053 434 A CA 0.603 52.912 52.037 0.454 0.000 0.755 434 A CB 0.237 19.608 19.000 0.620 0.000 0.978 434 A HN 1.036 nan 8.150 nan 0.000 0.507 435 S N 1.689 117.546 115.700 0.262 0.000 2.442 435 S HA -0.165 4.311 4.470 0.009 0.000 0.236 435 S C 1.341 175.942 174.600 0.003 0.000 1.007 435 S CA 1.721 59.991 58.200 0.117 0.000 0.965 435 S CB -0.757 62.537 63.200 0.156 0.000 0.773 435 S HN 1.300 nan 8.310 nan 0.000 0.504 436 T N -1.098 113.423 114.554 -0.055 0.000 3.086 436 T HA 0.385 4.741 4.350 0.009 0.000 0.250 436 T C 0.353 174.992 174.700 -0.102 0.000 1.074 436 T CA -0.566 61.430 62.100 -0.173 0.000 0.988 436 T CB -0.488 68.125 68.868 -0.425 0.000 0.988 436 T HN 0.274 nan 8.240 nan 0.000 0.530 437 L N 3.626 124.834 121.223 -0.025 0.000 2.485 437 L HA 0.239 4.584 4.340 0.009 0.000 0.275 437 L C 1.613 178.432 176.870 -0.085 0.000 1.207 437 L CA 0.865 55.680 54.840 -0.042 0.000 0.855 437 L CB 0.884 42.922 42.059 -0.035 0.000 1.114 437 L HN 0.430 nan 8.230 nan 0.000 0.485 438 T N -1.084 113.376 114.554 -0.157 0.000 3.023 438 T HA 0.134 4.490 4.350 0.009 0.000 0.253 438 T C 0.250 174.893 174.700 -0.094 0.000 1.038 438 T CA -0.488 61.507 62.100 -0.176 0.000 0.962 438 T CB -0.269 68.379 68.868 -0.366 0.000 1.018 438 T HN 0.402 nan 8.240 nan 0.000 0.521 439 W N 3.517 124.797 121.300 -0.034 0.000 2.150 439 W HA 0.423 5.090 4.660 0.010 0.000 0.341 439 W C -1.980 174.426 176.519 -0.187 0.000 1.276 439 W CA -2.172 55.122 57.345 -0.085 0.000 1.238 439 W CB 0.190 29.505 29.460 -0.240 0.000 1.128 439 W HN -0.027 nan 8.180 nan 0.000 0.581 440 P HA -0.021 nan 4.420 nan 0.000 0.271 440 P C 0.528 177.757 177.300 -0.118 0.000 1.233 440 P CA 0.029 63.088 63.100 -0.069 0.000 0.789 440 P CB 0.844 32.518 31.700 -0.043 0.000 0.951 441 L N 0.115 121.333 121.223 -0.008 0.000 2.127 441 L HA -0.134 4.212 4.340 0.009 0.000 0.211 441 L C 2.517 179.417 176.870 0.050 0.000 1.089 441 L CA 1.492 56.345 54.840 0.021 0.000 0.757 441 L CB -0.919 41.180 42.059 0.067 0.000 0.899 441 L HN 0.605 nan 8.230 nan 0.000 0.434 442 W N -1.139 120.197 121.300 0.059 0.000 2.421 442 W HA -0.157 4.508 4.660 0.008 0.000 0.270 442 W C 1.682 178.249 176.519 0.079 0.000 1.233 442 W CA 0.578 57.963 57.345 0.067 0.000 1.226 442 W CB -0.788 28.716 29.460 0.073 0.000 1.121 442 W HN 0.197 nan 8.180 nan 0.000 0.579 443 M N 1.165 120.443 119.600 -0.536 0.000 2.558 443 M HA 0.139 4.625 4.480 0.009 0.000 0.255 443 M C 1.827 178.022 176.300 -0.175 0.000 1.113 443 M CA 1.431 56.385 55.300 -0.578 0.000 1.097 443 M CB -0.564 31.529 32.600 -0.846 0.000 1.426 443 M HN 0.200 nan 8.290 nan 0.000 0.488 444 G N 0.826 109.581 108.800 -0.076 0.000 2.565 444 G HA2 -0.286 3.679 3.960 0.009 0.000 0.295 444 G HA3 -0.286 3.679 3.960 0.009 0.000 0.295 444 G C -0.090 174.817 174.900 0.012 0.000 1.165 444 G CA -0.124 44.982 45.100 0.011 0.000 0.977 444 G HN 0.234 nan 8.290 nan 0.000 0.546 445 V N 3.787 123.749 119.914 0.080 0.000 2.259 445 V HA 0.466 4.592 4.120 0.009 0.000 0.267 445 V C -1.871 174.337 176.094 0.190 0.000 1.051 445 V CA -0.806 61.590 62.300 0.160 0.000 0.830 445 V CB 1.132 33.104 31.823 0.248 0.000 1.080 445 V HN 0.503 nan 8.190 nan 0.000 0.467 446 P HA 0.145 nan 4.420 nan 0.000 0.274 446 P C -0.102 177.394 177.300 0.326 0.000 1.246 446 P CA -0.438 62.757 63.100 0.158 0.000 0.795 446 P CB 0.353 32.035 31.700 -0.029 0.000 1.006 447 H N 0.832 119.972 119.070 0.116 0.000 3.195 447 H HA 0.165 4.726 4.556 0.009 0.000 0.302 447 H C 1.617 176.900 175.328 -0.074 0.000 0.950 447 H CA 2.486 58.542 56.048 0.013 0.000 1.398 447 H CB -0.715 28.959 29.762 -0.146 0.000 1.377 447 H HN 0.750 nan 8.280 nan 0.000 0.572 448 G N 3.396 111.975 108.800 -0.367 0.000 2.213 448 G HA2 -0.316 3.649 3.960 0.009 0.000 0.236 448 G HA3 -0.316 3.649 3.960 0.009 0.000 0.236 448 G C 0.604 175.411 174.900 -0.156 0.000 0.991 448 G CA 0.355 45.229 45.100 -0.376 0.000 0.629 448 G HN 0.642 nan 8.290 nan 0.000 0.517 449 Y N 1.533 121.925 120.300 0.153 0.000 2.470 449 Y HA 0.245 4.800 4.550 0.009 0.000 0.284 449 Y C 2.314 178.324 175.900 0.184 0.000 1.188 449 Y CA 0.903 59.153 58.100 0.250 0.000 1.269 449 Y CB 0.433 39.078 38.460 0.308 0.000 1.094 449 Y HN 0.496 nan 8.280 nan 0.000 0.518 450 E N 0.299 120.446 120.200 -0.089 0.000 2.340 450 E HA -0.064 4.291 4.350 0.009 0.000 0.194 450 E C 1.603 178.095 176.600 -0.180 0.000 0.996 450 E CA 0.654 56.672 56.400 -0.635 0.000 0.869 450 E CB -0.393 28.531 29.700 -1.294 0.000 0.835 450 E HN 0.538 nan 8.360 nan 0.000 0.493 451 I N 2.839 123.396 120.570 -0.023 0.000 2.127 451 I HA -0.329 3.847 4.170 0.009 0.000 0.241 451 I C 2.689 178.808 176.117 0.002 0.000 1.075 451 I CA 2.226 63.557 61.300 0.053 0.000 1.334 451 I CB -0.636 37.453 38.000 0.149 0.000 1.040 451 I HN 0.196 nan 8.210 nan 0.000 0.405 452 E N 1.073 121.215 120.200 -0.096 0.000 2.219 452 E HA -0.252 4.104 4.350 0.009 0.000 0.198 452 E C 2.019 178.372 176.600 -0.411 0.000 0.998 452 E CA 1.601 57.839 56.400 -0.269 0.000 0.818 452 E CB -0.564 28.953 29.700 -0.305 0.000 0.741 452 E HN 0.468 nan 8.360 nan 0.000 0.477 453 F N 1.210 121.054 119.950 -0.177 0.000 2.118 453 F HA -0.042 4.492 4.527 0.012 0.000 0.293 453 F C 2.341 177.914 175.800 -0.378 0.000 1.102 453 F CA 0.497 58.339 58.000 -0.262 0.000 1.247 453 F CB -0.206 38.735 39.000 -0.098 0.000 1.017 453 F HN -0.053 nan 8.300 nan 0.000 0.475 454 I N -0.465 119.943 120.570 -0.269 0.000 2.194 454 I HA -0.315 3.861 4.170 0.009 0.000 0.246 454 I C 2.148 178.018 176.117 -0.412 0.000 1.093 454 I CA 1.681 62.650 61.300 -0.552 0.000 1.355 454 I CB -1.688 35.879 38.000 -0.723 0.000 1.046 454 I HN 0.078 nan 8.210 nan 0.000 0.413 455 F N 0.844 120.611 119.950 -0.305 0.000 2.780 455 F HA 0.229 4.762 4.527 0.010 0.000 0.299 455 F C 1.877 177.541 175.800 -0.227 0.000 1.146 455 F CA 0.822 58.686 58.000 -0.226 0.000 1.428 455 F CB -0.315 38.538 39.000 -0.245 0.000 1.115 455 F HN 0.307 nan 8.300 nan 0.000 0.583 456 G N 0.373 109.022 108.800 -0.252 0.000 2.160 456 G HA2 -0.271 3.694 3.960 0.009 0.000 0.244 456 G HA3 -0.271 3.694 3.960 0.009 0.000 0.244 456 G C 1.087 175.435 174.900 -0.919 0.000 1.022 456 G CA 0.351 45.180 45.100 -0.452 0.000 0.741 456 G HN 0.358 nan 8.290 nan 0.000 0.508 457 L N -0.535 120.179 121.223 -0.848 0.000 2.042 457 L HA -0.086 4.260 4.340 0.009 0.000 0.210 457 L C 0.340 176.650 176.870 -0.935 0.000 1.076 457 L CA 2.141 56.398 54.840 -0.972 0.000 0.749 457 L CB -1.617 40.131 42.059 -0.519 0.000 0.893 457 L HN 0.190 nan 8.230 nan 0.000 0.432 458 P HA -0.189 nan 4.420 nan 0.000 0.221 458 P C 1.802 178.853 177.300 -0.416 0.000 1.141 458 P CA 1.281 63.825 63.100 -0.927 0.000 0.794 458 P CB -0.027 31.125 31.700 -0.913 0.000 0.764 459 L N -1.607 119.311 121.223 -0.508 0.000 2.456 459 L HA -0.056 4.290 4.340 0.009 0.000 0.224 459 L C 1.034 177.793 176.870 -0.185 0.000 1.148 459 L CA 0.580 55.236 54.840 -0.306 0.000 0.825 459 L CB -0.593 41.291 42.059 -0.291 0.000 0.937 459 L HN -0.040 nan 8.230 nan 0.000 0.450 460 D N 0.675 120.930 120.400 -0.241 0.000 2.365 460 D HA 0.084 4.730 4.640 0.009 0.000 0.237 460 D C -1.467 174.840 176.300 0.011 0.000 1.190 460 D CA -2.234 51.754 54.000 -0.019 0.000 0.867 460 D CB 1.386 42.223 40.800 0.061 0.000 1.050 460 D HN -0.055 nan 8.370 nan 0.000 0.491 461 P HA -0.148 nan 4.420 nan 0.000 0.220 461 P C 1.199 178.512 177.300 0.021 0.000 1.148 461 P CA 0.704 63.818 63.100 0.024 0.000 0.803 461 P CB 0.070 31.781 31.700 0.019 0.000 0.782 462 S N -0.588 115.124 115.700 0.020 0.000 2.507 462 S HA -0.050 4.426 4.470 0.009 0.000 0.235 462 S C 1.792 176.386 174.600 -0.010 0.000 0.988 462 S CA 0.565 58.767 58.200 0.004 0.000 0.944 462 S CB -1.394 61.810 63.200 0.006 0.000 0.762 462 S HN 0.133 nan 8.310 nan 0.000 0.526 463 L N 0.583 121.813 121.223 0.013 0.000 2.591 463 L HA 0.216 4.561 4.340 0.009 0.000 0.228 463 L C 0.311 177.099 176.870 -0.136 0.000 1.133 463 L CA -0.048 54.780 54.840 -0.020 0.000 0.880 463 L CB -0.635 41.484 42.059 0.099 0.000 1.033 463 L HN 0.229 nan 8.230 nan 0.000 0.450 464 N N -1.823 116.839 118.700 -0.063 0.000 2.850 464 N HA -0.229 4.517 4.740 0.009 0.000 0.249 464 N C -0.394 175.044 175.510 -0.120 0.000 1.060 464 N CA 0.820 53.811 53.050 -0.097 0.000 0.825 464 N CB -1.824 36.582 38.487 -0.134 0.000 1.132 464 N HN 0.276 nan 8.380 nan 0.000 0.564 465 Y N 1.270 121.551 120.300 -0.031 0.000 2.480 465 Y HA 0.117 4.673 4.550 0.009 0.000 0.338 465 Y C 1.944 177.862 175.900 0.029 0.000 1.220 465 Y CA 0.331 58.437 58.100 0.010 0.000 1.430 465 Y CB 0.426 38.873 38.460 -0.023 0.000 1.311 465 Y HN 0.087 nan 8.280 nan 0.000 0.575 466 T N -1.750 112.938 114.554 0.223 0.000 2.856 466 T HA -0.009 4.346 4.350 0.009 0.000 0.306 466 T C 1.220 175.999 174.700 0.131 0.000 1.062 466 T CA -0.198 61.987 62.100 0.143 0.000 1.083 466 T CB 0.783 69.728 68.868 0.129 0.000 0.984 466 T HN 0.770 nan 8.240 nan 0.000 0.542 467 T N 1.955 116.556 114.554 0.079 0.000 2.759 467 T HA -0.117 4.238 4.350 0.009 0.000 0.269 467 T C 1.755 176.489 174.700 0.056 0.000 1.042 467 T CA 2.048 64.181 62.100 0.055 0.000 1.140 467 T CB -0.410 68.479 68.868 0.034 0.000 0.864 467 T HN 0.812 nan 8.240 nan 0.000 0.455 468 E N 1.099 121.330 120.200 0.052 0.000 2.150 468 E HA -0.080 4.276 4.350 0.009 0.000 0.193 468 E C 2.200 178.842 176.600 0.069 0.000 0.985 468 E CA 0.875 57.293 56.400 0.029 0.000 0.814 468 E CB -0.155 29.534 29.700 -0.019 0.000 0.752 468 E HN 0.558 nan 8.360 nan 0.000 0.466 469 E N 0.458 120.739 120.200 0.135 0.000 2.106 469 E HA -0.135 4.221 4.350 0.009 0.000 0.192 469 E C 2.090 178.821 176.600 0.218 0.000 0.984 469 E CA 0.480 57.060 56.400 0.299 0.000 0.806 469 E CB 0.008 30.009 29.700 0.501 0.000 0.750 469 E HN 0.102 nan 8.360 nan 0.000 0.458 470 R N 0.796 121.354 120.500 0.097 0.000 2.073 470 R HA -0.154 4.192 4.340 0.009 0.000 0.234 470 R C 2.210 178.514 176.300 0.007 0.000 1.134 470 R CA 1.304 57.404 56.100 0.000 0.000 0.952 470 R CB -0.218 30.079 30.300 -0.005 0.000 0.850 470 R HN 0.138 nan 8.270 nan 0.000 0.433 471 I N 0.279 120.874 120.570 0.042 0.000 2.226 471 I HA -0.265 3.911 4.170 0.009 0.000 0.245 471 I C 2.182 178.340 176.117 0.068 0.000 1.100 471 I CA 0.950 62.270 61.300 0.035 0.000 1.374 471 I CB -0.327 37.695 38.000 0.035 0.000 1.057 471 I HN 0.177 nan 8.210 nan 0.000 0.413 472 F N 1.839 121.751 119.950 -0.062 0.000 2.102 472 F HA -0.223 4.308 4.527 0.008 0.000 0.298 472 F C 2.429 178.219 175.800 -0.018 0.000 1.105 472 F CA 1.287 59.241 58.000 -0.077 0.000 1.239 472 F CB -0.691 38.205 39.000 -0.173 0.000 0.991 472 F HN 0.025 nan 8.300 nan 0.000 0.474 473 A N 0.109 122.857 122.820 -0.120 0.000 1.877 473 A HA -0.248 4.078 4.320 0.009 0.000 0.216 473 A C 2.171 179.604 177.584 -0.252 0.000 1.186 473 A CA 1.863 53.766 52.037 -0.223 0.000 0.620 473 A CB -0.983 17.902 19.000 -0.191 0.000 0.822 473 A HN 0.597 nan 8.150 nan 0.000 0.443 474 Q N -0.931 118.765 119.800 -0.173 0.000 2.096 474 Q HA -0.221 4.125 4.340 0.009 0.000 0.204 474 Q C 2.416 178.304 176.000 -0.187 0.000 0.982 474 Q CA 1.737 57.451 55.803 -0.149 0.000 0.850 474 Q CB -0.215 28.466 28.738 -0.095 0.000 0.901 474 Q HN 0.620 nan 8.270 nan 0.000 0.422 475 R N 0.318 120.692 120.500 -0.211 0.000 2.094 475 R HA -0.160 4.186 4.340 0.009 0.000 0.239 475 R C 2.334 178.365 176.300 -0.449 0.000 1.137 475 R CA 1.397 57.299 56.100 -0.330 0.000 0.943 475 R CB -0.315 29.864 30.300 -0.201 0.000 0.850 475 R HN 0.257 nan 8.270 nan 0.000 0.433 476 L N -0.078 120.947 121.223 -0.329 0.000 2.017 476 L HA -0.224 4.122 4.340 0.009 0.000 0.208 476 L C 2.587 179.390 176.870 -0.111 0.000 1.073 476 L CA 1.431 56.164 54.840 -0.177 0.000 0.745 476 L CB -0.378 41.411 42.059 -0.449 0.000 0.894 476 L HN 0.300 nan 8.230 nan 0.000 0.432 477 M N -0.759 118.719 119.600 -0.204 0.000 2.149 477 M HA -0.211 4.275 4.480 0.009 0.000 0.261 477 M C 2.331 178.617 176.300 -0.024 0.000 1.064 477 M CA 1.594 56.810 55.300 -0.141 0.000 1.102 477 M CB -0.307 32.200 32.600 -0.155 0.000 1.369 477 M HN 0.101 nan 8.290 nan 0.000 0.408 478 K N -0.235 120.120 120.400 -0.074 0.000 2.025 478 K HA -0.138 4.188 4.320 0.009 0.000 0.207 478 K C 1.923 178.570 176.600 0.079 0.000 1.049 478 K CA 1.633 57.886 56.287 -0.056 0.000 0.933 478 K CB -0.438 31.958 32.500 -0.173 0.000 0.714 478 K HN 0.300 nan 8.250 nan 0.000 0.438 479 Y N 0.025 120.446 120.300 0.202 0.000 2.081 479 Y HA -0.256 4.301 4.550 0.012 0.000 0.280 479 Y C 2.433 178.469 175.900 0.226 0.000 1.163 479 Y CA 0.888 59.151 58.100 0.271 0.000 1.135 479 Y CB -0.882 37.900 38.460 0.536 0.000 0.970 479 Y HN 0.244 nan 8.280 nan 0.000 0.498 480 W N 0.498 121.863 121.300 0.107 0.000 2.355 480 W HA -0.229 4.436 4.660 0.008 0.000 0.309 480 W C 2.492 179.000 176.519 -0.019 0.000 1.206 480 W CA 2.225 59.564 57.345 -0.010 0.000 1.284 480 W CB -0.640 28.733 29.460 -0.144 0.000 1.145 480 W HN 0.229 nan 8.180 nan 0.000 0.502 481 T N -2.281 112.371 114.554 0.163 0.000 2.985 481 T HA -0.114 4.242 4.350 0.009 0.000 0.266 481 T C 1.366 176.086 174.700 0.033 0.000 1.076 481 T CA 1.088 63.218 62.100 0.049 0.000 1.135 481 T CB -0.511 68.364 68.868 0.012 0.000 0.890 481 T HN -0.080 nan 8.240 nan 0.000 0.480 482 N N 1.038 119.773 118.700 0.058 0.000 2.084 482 N HA 0.017 4.763 4.740 0.009 0.000 0.190 482 N C 1.337 176.826 175.510 -0.035 0.000 1.030 482 N CA 0.972 54.032 53.050 0.017 0.000 0.849 482 N CB -0.716 37.798 38.487 0.046 0.000 1.012 482 N HN 0.480 nan 8.380 nan 0.000 0.423 483 F N 1.703 121.551 119.950 -0.170 0.000 2.095 483 F HA -0.133 4.400 4.527 0.009 0.000 0.298 483 F C 2.158 177.864 175.800 -0.157 0.000 1.104 483 F CA 1.477 59.323 58.000 -0.257 0.000 1.232 483 F CB -0.469 38.280 39.000 -0.418 0.000 0.987 483 F HN 0.043 nan 8.300 nan 0.000 0.475 484 A N 0.721 123.487 122.820 -0.091 0.000 1.883 484 A HA -0.229 4.096 4.320 0.009 0.000 0.217 484 A C 2.356 179.838 177.584 -0.170 0.000 1.186 484 A CA 1.998 53.958 52.037 -0.127 0.000 0.624 484 A CB -0.815 18.171 19.000 -0.024 0.000 0.822 484 A HN 0.482 nan 8.150 nan 0.000 0.444 485 R N -1.303 119.124 120.500 -0.121 0.000 2.075 485 R HA -0.084 4.262 4.340 0.009 0.000 0.232 485 R C 2.071 178.285 176.300 -0.143 0.000 1.126 485 R CA 1.902 57.942 56.100 -0.100 0.000 0.963 485 R CB -0.243 30.023 30.300 -0.057 0.000 0.858 485 R HN 0.761 nan 8.270 nan 0.000 0.435 486 T N -5.889 108.546 114.554 -0.198 0.000 2.969 486 T HA 0.249 4.605 4.350 0.009 0.000 0.258 486 T C 1.203 175.761 174.700 -0.237 0.000 0.962 486 T CA 0.421 62.417 62.100 -0.173 0.000 0.903 486 T CB 1.362 70.163 68.868 -0.111 0.000 1.177 486 T HN 0.325 nan 8.240 nan 0.000 0.511 487 G N 1.164 109.690 108.800 -0.458 0.000 2.157 487 G HA2 -0.157 3.809 3.960 0.009 0.000 0.248 487 G HA3 -0.157 3.809 3.960 0.009 0.000 0.248 487 G C -0.373 174.369 174.900 -0.263 0.000 0.979 487 G CA 0.177 44.944 45.100 -0.554 0.000 0.650 487 G HN 0.769 nan 8.290 nan 0.000 0.529 488 D N -0.411 119.834 120.400 -0.258 0.000 2.788 488 D HA 0.461 5.106 4.640 0.009 0.000 0.247 488 D C -1.522 174.595 176.300 -0.305 0.000 1.236 488 D CA -1.620 52.203 54.000 -0.294 0.000 0.898 488 D CB 2.273 43.014 40.800 -0.099 0.000 1.401 488 D HN 0.005 nan 8.370 nan 0.000 0.549 489 P HA -0.025 nan 4.420 nan 0.000 0.233 489 P C 0.054 177.371 177.300 0.028 0.000 1.167 489 P CA 0.083 63.003 63.100 -0.300 0.000 0.770 489 P CB 0.444 31.642 31.700 -0.836 0.000 0.837 490 N N 1.496 120.178 118.700 -0.030 0.000 2.508 490 N HA 0.024 4.770 4.740 0.009 0.000 0.264 490 N C 0.018 175.595 175.510 0.112 0.000 1.216 490 N CA 0.302 53.432 53.050 0.135 0.000 0.943 490 N CB 0.530 39.090 38.487 0.121 0.000 1.113 490 N HN 0.003 nan 8.380 nan 0.000 0.447 491 D N 1.731 122.214 120.400 0.140 0.000 2.336 491 D HA 0.155 4.800 4.640 0.009 0.000 0.249 491 D C -1.600 174.742 176.300 0.070 0.000 1.213 491 D CA -1.717 52.333 54.000 0.085 0.000 0.870 491 D CB 1.215 42.060 40.800 0.075 0.000 1.076 491 D HN 0.236 nan 8.370 nan 0.000 0.483 492 P HA -0.004 nan 4.420 nan 0.000 0.226 492 P C 0.818 178.142 177.300 0.040 0.000 1.153 492 P CA 0.786 63.912 63.100 0.042 0.000 0.777 492 P CB 0.569 32.285 31.700 0.027 0.000 0.794 493 R N -0.492 120.031 120.500 0.038 0.000 2.023 493 R HA 0.046 4.391 4.340 0.009 0.000 0.217 493 R C 1.055 177.380 176.300 0.042 0.000 1.255 493 R CA 0.319 56.439 56.100 0.034 0.000 0.981 493 R CB -1.307 29.009 30.300 0.027 0.000 0.853 493 R HN -0.018 nan 8.270 nan 0.000 0.463 494 D N 1.708 122.135 120.400 0.045 0.000 2.552 494 D HA -0.070 4.576 4.640 0.009 0.000 0.274 494 D C 0.307 176.647 176.300 0.067 0.000 1.406 494 D CA 0.253 54.285 54.000 0.052 0.000 1.311 494 D CB 0.250 41.082 40.800 0.053 0.000 1.146 494 D HN 0.331 nan 8.370 nan 0.000 0.541 495 S N 2.417 118.153 115.700 0.059 0.000 2.528 495 S HA -0.037 4.439 4.470 0.009 0.000 0.219 495 S C 1.595 176.232 174.600 0.063 0.000 0.985 495 S CA -0.129 58.109 58.200 0.064 0.000 0.914 495 S CB 0.226 63.459 63.200 0.054 0.000 0.776 495 S HN 0.377 nan 8.310 nan 0.000 0.526 496 K N 2.143 122.576 120.400 0.055 0.000 1.991 496 K HA 0.001 4.327 4.320 0.009 0.000 0.212 496 K C 0.803 177.442 176.600 0.064 0.000 1.049 496 K CA 1.061 57.379 56.287 0.052 0.000 0.932 496 K CB -0.940 31.585 32.500 0.042 0.000 0.717 496 K HN 0.281 nan 8.250 nan 0.000 0.441 497 S N 3.184 118.931 115.700 0.078 0.000 2.573 497 S HA 0.029 4.505 4.470 0.009 0.000 0.297 497 S C -2.295 172.376 174.600 0.118 0.000 1.280 497 S CA -0.885 57.377 58.200 0.104 0.000 1.061 497 S CB 0.155 63.434 63.200 0.132 0.000 0.812 497 S HN 0.075 nan 8.310 nan 0.000 0.500 498 P HA 0.138 nan 4.420 nan 0.000 0.271 498 P C -0.391 177.002 177.300 0.155 0.000 1.216 498 P CA -0.343 62.823 63.100 0.109 0.000 0.776 498 P CB 0.417 32.164 31.700 0.079 0.000 0.881 499 Q N 1.215 121.108 119.800 0.155 0.000 2.340 499 Q HA 0.125 4.470 4.340 0.009 0.000 0.249 499 Q C -0.533 175.633 176.000 0.277 0.000 0.957 499 Q CA 0.155 56.086 55.803 0.212 0.000 0.882 499 Q CB 0.691 29.538 28.738 0.181 0.000 1.235 499 Q HN 0.561 nan 8.270 nan 0.000 0.439 500 W N 6.042 127.409 121.300 0.112 0.000 2.311 500 W HA 0.319 4.984 4.660 0.008 0.000 0.317 500 W C -2.496 174.171 176.519 0.246 0.000 1.065 500 W CA -2.666 54.756 57.345 0.129 0.000 1.364 500 W CB 0.445 29.926 29.460 0.035 0.000 1.233 500 W HN 0.373 nan 8.180 nan 0.000 0.409 501 P HA 0.224 nan 4.420 nan 0.000 0.278 501 P C -2.509 174.993 177.300 0.336 0.000 1.238 501 P CA -1.467 61.847 63.100 0.357 0.000 0.794 501 P CB 0.675 32.503 31.700 0.214 0.000 0.955 502 P HA -0.013 nan 4.420 nan 0.000 0.269 502 P C -0.651 176.655 177.300 0.011 0.000 1.211 502 P CA 0.319 63.210 63.100 -0.348 0.000 0.781 502 P CB 0.076 31.535 31.700 -0.402 0.000 0.877 503 Y N 1.755 122.007 120.300 -0.081 0.000 2.316 503 Y HA 0.425 4.983 4.550 0.013 0.000 0.331 503 Y C 0.118 176.018 175.900 -0.000 0.000 1.083 503 Y CA 0.190 58.311 58.100 0.035 0.000 1.206 503 Y CB 0.471 38.980 38.460 0.082 0.000 1.195 503 Y HN 0.372 nan 8.280 nan 0.000 0.497 504 T N 0.274 114.534 114.554 -0.490 0.000 2.916 504 T HA 0.244 4.600 4.350 0.009 0.000 0.292 504 T C 0.890 175.293 174.700 -0.495 0.000 1.055 504 T CA -0.199 61.698 62.100 -0.338 0.000 1.009 504 T CB 1.329 70.097 68.868 -0.167 0.000 1.118 504 T HN 0.671 nan 8.240 nan 0.000 0.497 505 T N -0.510 113.905 114.554 -0.232 0.000 2.821 505 T HA -0.014 4.341 4.350 0.009 0.000 0.267 505 T C 2.288 176.915 174.700 -0.122 0.000 1.046 505 T CA 0.956 62.968 62.100 -0.147 0.000 1.139 505 T CB -0.840 68.008 68.868 -0.033 0.000 0.871 505 T HN 0.852 nan 8.240 nan 0.000 0.454 506 A N 1.992 124.750 122.820 -0.102 0.000 1.845 506 A HA 0.380 4.706 4.320 0.009 0.000 0.215 506 A C 2.642 180.182 177.584 -0.073 0.000 1.195 506 A CA 1.928 53.925 52.037 -0.065 0.000 0.616 506 A CB -1.179 17.794 19.000 -0.045 0.000 0.832 506 A HN 0.805 nan 8.150 nan 0.000 0.443 507 A N -2.512 120.242 122.820 -0.109 0.000 2.288 507 A HA 0.345 4.671 4.320 0.009 0.000 0.216 507 A C 0.828 178.356 177.584 -0.093 0.000 1.199 507 A CA 0.721 52.713 52.037 -0.075 0.000 0.891 507 A CB -0.160 18.813 19.000 -0.044 0.000 0.923 507 A HN 0.522 nan 8.150 nan 0.000 0.500 508 Q N 0.067 119.709 119.800 -0.264 0.000 2.416 508 Q HA -0.238 4.107 4.340 0.009 0.000 0.319 508 Q C -0.560 175.506 176.000 0.110 0.000 1.318 508 Q CA 0.696 56.310 55.803 -0.314 0.000 0.915 508 Q CB -1.574 27.159 28.738 -0.009 0.000 1.184 508 Q HN 0.814 nan 8.270 nan 0.000 0.444 509 Q N 0.316 120.170 119.800 0.091 0.000 2.288 509 Q HA 0.466 4.812 4.340 0.009 0.000 0.254 509 Q C -0.445 175.845 176.000 0.484 0.000 0.932 509 Q CA -0.049 55.888 55.803 0.224 0.000 0.902 509 Q CB 0.629 29.441 28.738 0.123 0.000 1.203 509 Q HN 0.350 nan 8.270 nan 0.000 0.415 510 Y N -1.489 118.947 120.300 0.227 0.000 2.655 510 Y HA 0.732 5.293 4.550 0.020 0.000 0.336 510 Y C -1.240 174.658 175.900 -0.003 0.000 1.154 510 Y CA -1.510 56.702 58.100 0.187 0.000 1.055 510 Y CB 0.590 39.152 38.460 0.171 0.000 1.295 510 Y HN 0.325 nan 8.280 nan 0.000 0.465 511 V N -0.407 119.434 119.914 -0.121 0.000 2.769 511 V HA 0.819 4.944 4.120 0.009 0.000 0.312 511 V C -0.225 175.783 176.094 -0.143 0.000 1.061 511 V CA -0.655 61.423 62.300 -0.369 0.000 0.931 511 V CB 1.215 32.553 31.823 -0.808 0.000 1.010 511 V HN 1.145 nan 8.190 nan 0.000 0.433 512 S N 3.990 119.608 115.700 -0.137 0.000 2.545 512 S HA 0.718 5.194 4.470 0.009 0.000 0.275 512 S C -0.463 174.107 174.600 -0.051 0.000 1.299 512 S CA -0.633 57.555 58.200 -0.020 0.000 1.048 512 S CB 0.607 63.785 63.200 -0.037 0.000 0.938 512 S HN 0.749 nan 8.310 nan 0.000 0.496 513 L N 3.766 125.001 121.223 0.020 0.000 2.316 513 L HA 0.558 4.904 4.340 0.009 0.000 0.280 513 L C -0.394 176.362 176.870 -0.189 0.000 1.006 513 L CA -0.453 54.417 54.840 0.049 0.000 0.836 513 L CB 0.595 42.783 42.059 0.215 0.000 1.221 513 L HN 0.970 nan 8.230 nan 0.000 0.418 514 N N 2.142 120.651 118.700 -0.319 0.000 3.449 514 N HA 0.327 5.073 4.740 0.009 0.000 0.312 514 N C 0.145 175.073 175.510 -0.970 0.000 1.557 514 N CA -0.968 51.624 53.050 -0.762 0.000 0.864 514 N CB 0.574 38.827 38.487 -0.390 0.000 1.799 514 N HN 0.211 nan 8.380 nan 0.000 0.554 515 L N -0.852 119.862 121.223 -0.848 0.000 2.201 515 L HA 0.110 4.456 4.340 0.009 0.000 0.212 515 L C 0.567 177.268 176.870 -0.282 0.000 1.105 515 L CA 0.897 55.359 54.840 -0.629 0.000 0.775 515 L CB -0.540 41.233 42.059 -0.475 0.000 0.913 515 L HN 0.370 nan 8.230 nan 0.000 0.440 516 K N 0.374 120.646 120.400 -0.213 0.000 2.276 516 K HA 0.170 4.496 4.320 0.009 0.000 0.259 516 K C -2.129 174.436 176.600 -0.057 0.000 1.001 516 K CA -1.672 54.551 56.287 -0.106 0.000 0.927 516 K CB -0.083 32.364 32.500 -0.087 0.000 0.969 516 K HN -0.189 nan 8.250 nan 0.000 0.490 517 P HA -0.074 nan 4.420 nan 0.000 0.269 517 P C -0.330 176.984 177.300 0.023 0.000 1.217 517 P CA -0.076 63.044 63.100 0.032 0.000 0.783 517 P CB 0.383 32.102 31.700 0.032 0.000 0.898 518 L N 1.254 122.514 121.223 0.061 0.000 2.615 518 L HA -0.092 4.253 4.340 0.009 0.000 0.284 518 L C 1.121 177.971 176.870 -0.033 0.000 1.237 518 L CA 0.947 55.788 54.840 0.001 0.000 0.905 518 L CB -0.300 41.769 42.059 0.018 0.000 1.149 518 L HN 0.518 nan 8.230 nan 0.000 0.499 519 E N 3.156 123.309 120.200 -0.079 0.000 2.212 519 E HA 0.455 4.811 4.350 0.009 0.000 0.268 519 E C -1.428 175.085 176.600 -0.145 0.000 0.902 519 E CA -0.802 55.547 56.400 -0.086 0.000 0.779 519 E CB 2.074 31.727 29.700 -0.077 0.000 1.172 519 E HN 0.295 nan 8.360 nan 0.000 0.409 520 V N 4.745 124.583 119.914 -0.127 0.000 2.407 520 V HA 0.464 4.589 4.120 0.009 0.000 0.278 520 V C 0.099 176.059 176.094 -0.224 0.000 1.037 520 V CA -0.434 61.765 62.300 -0.169 0.000 0.900 520 V CB 1.174 32.954 31.823 -0.072 0.000 0.983 520 V HN 0.688 nan 8.190 nan 0.000 0.459 521 R N 3.935 124.175 120.500 -0.432 0.000 2.854 521 R HA 0.736 5.082 4.340 0.009 0.000 0.271 521 R C -0.884 175.189 176.300 -0.378 0.000 0.996 521 R CA -1.028 54.789 56.100 -0.473 0.000 0.961 521 R CB 2.561 32.440 30.300 -0.702 0.000 1.182 521 R HN 0.589 nan 8.270 nan 0.000 0.479 522 R N 0.143 120.594 120.500 -0.082 0.000 2.562 522 R HA 0.509 4.855 4.340 0.009 0.000 0.298 522 R C -0.579 175.891 176.300 0.283 0.000 0.961 522 R CA -0.567 55.597 56.100 0.107 0.000 0.881 522 R CB 2.131 32.467 30.300 0.061 0.000 1.159 522 R HN 0.897 nan 8.270 nan 0.000 0.450 523 G N 2.099 111.125 108.800 0.377 0.000 3.396 523 G HA2 -0.209 3.757 3.960 0.009 0.000 0.682 523 G HA3 -0.209 3.757 3.960 0.009 0.000 0.682 523 G C -1.137 173.980 174.900 0.362 0.000 0.924 523 G CA -0.920 44.383 45.100 0.337 0.000 0.770 523 G HN 0.348 nan 8.290 nan 0.000 0.484 524 L N 4.489 125.824 121.223 0.186 0.000 2.302 524 L HA 0.512 4.858 4.340 0.009 0.000 0.285 524 L C 1.551 178.444 176.870 0.037 0.000 1.090 524 L CA -0.613 54.177 54.840 -0.082 0.000 0.866 524 L CB -0.061 41.871 42.059 -0.212 0.000 1.244 524 L HN 0.700 nan 8.230 nan 0.000 0.435 525 R N 3.077 123.627 120.500 0.083 0.000 3.109 525 R HA -0.277 4.069 4.340 0.009 0.000 0.241 525 R C 1.311 177.709 176.300 0.164 0.000 0.882 525 R CA 0.696 56.883 56.100 0.144 0.000 0.604 525 R CB -2.018 28.381 30.300 0.165 0.000 1.040 525 R HN 0.751 nan 8.270 nan 0.000 0.480 526 A N 0.749 123.665 122.820 0.160 0.000 1.883 526 A HA -0.253 4.073 4.320 0.009 0.000 0.217 526 A C 2.085 179.764 177.584 0.159 0.000 1.186 526 A CA 1.268 53.399 52.037 0.156 0.000 0.624 526 A CB -0.110 18.978 19.000 0.146 0.000 0.822 526 A HN 0.413 nan 8.150 nan 0.000 0.444 527 Q N -0.580 119.311 119.800 0.153 0.000 1.993 527 Q HA -0.120 4.226 4.340 0.009 0.000 0.202 527 Q C 2.334 178.459 176.000 0.209 0.000 0.984 527 Q CA 2.222 58.119 55.803 0.157 0.000 0.837 527 Q CB -1.307 27.509 28.738 0.130 0.000 0.902 527 Q HN 0.663 nan 8.270 nan 0.000 0.423 528 T N 0.606 115.306 114.554 0.243 0.000 2.720 528 T HA -0.148 4.208 4.350 0.009 0.000 0.268 528 T C 2.036 176.940 174.700 0.339 0.000 1.037 528 T CA 1.391 63.650 62.100 0.266 0.000 1.144 528 T CB -0.384 68.687 68.868 0.338 0.000 0.864 528 T HN 0.320 nan 8.240 nan 0.000 0.444 529 c N 1.543 120.344 118.600 0.335 0.000 2.448 529 c HA 0.263 4.839 4.570 0.009 0.000 0.280 529 c C 3.111 177.366 174.090 0.276 0.000 1.398 529 c CA -0.089 56.456 56.329 0.359 0.000 1.774 529 c CB -1.472 41.182 42.510 0.240 0.000 1.888 529 c HN 0.642 nan 8.230 nan 0.000 0.519 530 A N 0.003 122.953 122.820 0.217 0.000 1.969 530 A HA -0.153 4.173 4.320 0.009 0.000 0.218 530 A C 1.830 179.522 177.584 0.180 0.000 1.169 530 A CA 1.311 53.452 52.037 0.174 0.000 0.635 530 A CB -0.693 18.396 19.000 0.148 0.000 0.810 530 A HN 0.560 nan 8.150 nan 0.000 0.445 531 F N -0.835 119.113 119.950 -0.003 0.000 2.113 531 F HA -0.139 4.393 4.527 0.008 0.000 0.297 531 F C 1.893 177.646 175.800 -0.079 0.000 1.103 531 F CA 1.671 59.595 58.000 -0.126 0.000 1.248 531 F CB -0.469 38.209 39.000 -0.537 0.000 0.999 531 F HN 0.369 nan 8.300 nan 0.000 0.475 532 W N 0.540 121.822 121.300 -0.030 0.000 2.409 532 W HA -0.095 4.569 4.660 0.007 0.000 0.299 532 W C 2.178 178.641 176.519 -0.095 0.000 1.203 532 W CA 0.919 58.197 57.345 -0.113 0.000 1.298 532 W CB -0.525 28.997 29.460 0.103 0.000 1.127 532 W HN -0.039 nan 8.180 nan 0.000 0.528 533 N N -0.294 118.528 118.700 0.203 0.000 2.336 533 N HA 0.025 4.771 4.740 0.009 0.000 0.177 533 N C 1.541 177.085 175.510 0.057 0.000 1.018 533 N CA 0.986 54.107 53.050 0.118 0.000 0.878 533 N CB -0.299 38.260 38.487 0.120 0.000 0.997 533 N HN 0.199 nan 8.380 nan 0.000 0.433 534 R N -1.093 119.444 120.500 0.063 0.000 2.121 534 R HA 0.223 4.568 4.340 0.009 0.000 0.206 534 R C 1.558 177.886 176.300 0.046 0.000 1.094 534 R CA 0.160 56.295 56.100 0.059 0.000 1.055 534 R CB -0.232 30.124 30.300 0.093 0.000 0.964 534 R HN 0.070 nan 8.270 nan 0.000 0.473 535 F N 1.283 121.155 119.950 -0.131 0.000 2.147 535 F HA 0.053 4.586 4.527 0.010 0.000 0.291 535 F C 1.887 177.533 175.800 -0.257 0.000 1.093 535 F CA 0.800 58.696 58.000 -0.173 0.000 1.263 535 F CB -0.327 38.581 39.000 -0.154 0.000 1.036 535 F HN -0.141 nan 8.300 nan 0.000 0.481 536 L N 0.958 121.833 121.223 -0.580 0.000 2.042 536 L HA -0.118 4.227 4.340 0.009 0.000 0.210 536 L C -0.868 175.743 176.870 -0.432 0.000 1.076 536 L CA 1.919 56.362 54.840 -0.663 0.000 0.749 536 L CB -1.527 40.174 42.059 -0.598 0.000 0.893 536 L HN 0.043 nan 8.230 nan 0.000 0.432 537 P HA -0.218 nan 4.420 nan 0.000 0.214 537 P C 1.342 178.507 177.300 -0.225 0.000 1.163 537 P CA 1.675 64.667 63.100 -0.180 0.000 0.889 537 P CB -0.034 31.602 31.700 -0.107 0.000 0.790 538 K N -1.052 119.187 120.400 -0.269 0.000 2.074 538 K HA -0.184 4.142 4.320 0.009 0.000 0.209 538 K C 1.992 178.394 176.600 -0.331 0.000 1.048 538 K CA 1.164 57.298 56.287 -0.254 0.000 0.926 538 K CB -1.005 31.372 32.500 -0.204 0.000 0.713 538 K HN 0.025 nan 8.250 nan 0.000 0.444 539 L N 1.579 122.447 121.223 -0.591 0.000 1.956 539 L HA -0.184 4.161 4.340 0.009 0.000 0.216 539 L C 1.622 178.338 176.870 -0.257 0.000 1.073 539 L CA 1.738 56.283 54.840 -0.491 0.000 0.762 539 L CB -0.682 40.983 42.059 -0.658 0.000 0.889 539 L HN 0.149 nan 8.230 nan 0.000 0.433 540 L N -0.140 120.941 121.223 -0.236 0.000 2.834 540 L HA -0.052 4.294 4.340 0.009 0.000 0.252 540 L C 0.616 177.421 176.870 -0.107 0.000 1.152 540 L CA 0.146 54.903 54.840 -0.140 0.000 0.898 540 L CB -0.898 41.091 42.059 -0.116 0.000 1.078 540 L HN 0.181 nan 8.230 nan 0.000 0.439 541 S N 0.545 116.176 115.700 -0.116 0.000 2.694 541 S HA 0.691 5.166 4.470 0.009 0.000 0.211 541 S C 0.232 174.792 174.600 -0.067 0.000 1.328 541 S CA 0.035 58.187 58.200 -0.079 0.000 1.236 541 S CB 0.452 63.608 63.200 -0.074 0.000 1.121 541 S HN 0.440 nan 8.310 nan 0.000 0.517 542 A N 0.000 122.783 122.820 -0.061 0.000 2.254 542 A HA 0.000 4.326 4.320 0.009 0.000 0.244 542 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 542 A CB 0.000 18.972 19.000 -0.046 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486