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 2whr_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.614 176.600 0.024 0.000 1.382 1 E CA 0.000 56.419 56.400 0.032 0.000 0.976 1 E CB 0.000 29.723 29.700 0.038 0.000 0.812 2 G N 0.747 109.560 108.800 0.023 0.000 3.180 2 G HA2 -0.189 3.775 3.960 0.006 0.000 0.197 2 G HA3 -0.189 3.775 3.960 0.006 0.000 0.197 2 G C 0.902 175.813 174.900 0.017 0.000 1.149 2 G CA 0.137 45.248 45.100 0.018 0.000 0.847 2 G HN 0.383 nan 8.290 nan 0.000 0.469 3 R N 1.600 122.110 120.500 0.016 0.000 2.393 3 R HA 0.418 4.762 4.340 0.006 0.000 0.244 3 R C 0.631 176.941 176.300 0.017 0.000 0.920 3 R CA 0.221 56.329 56.100 0.015 0.000 1.076 3 R CB 0.233 30.539 30.300 0.010 0.000 1.119 3 R HN 0.563 nan 8.270 nan 0.000 0.524 4 E N -0.071 120.143 120.200 0.023 0.000 2.292 4 E HA 0.051 4.404 4.350 0.006 0.000 0.258 4 E C -0.782 175.840 176.600 0.037 0.000 1.115 4 E CA -0.836 55.580 56.400 0.027 0.000 0.929 4 E CB 0.582 30.301 29.700 0.032 0.000 1.161 4 E HN -0.040 nan 8.360 nan 0.000 0.453 5 D N 1.438 121.865 120.400 0.046 0.000 2.363 5 D HA 0.027 4.671 4.640 0.006 0.000 0.263 5 D C -1.793 174.554 176.300 0.078 0.000 1.258 5 D CA -1.838 52.205 54.000 0.072 0.000 0.907 5 D CB 0.952 41.810 40.800 0.097 0.000 1.107 5 D HN 0.034 nan 8.370 nan 0.000 0.495 6 P HA -0.076 nan 4.420 nan 0.000 0.225 6 P C 0.830 178.161 177.300 0.052 0.000 1.148 6 P CA 0.782 63.912 63.100 0.049 0.000 0.779 6 P CB 0.271 31.989 31.700 0.030 0.000 0.780 7 Q N -1.059 118.780 119.800 0.065 0.000 2.403 7 Q HA 0.151 4.495 4.340 0.006 0.000 0.203 7 Q C 1.278 177.366 176.000 0.146 0.000 0.932 7 Q CA 0.659 56.480 55.803 0.030 0.000 0.945 7 Q CB 0.138 28.794 28.738 -0.136 0.000 1.045 7 Q HN 0.404 nan 8.270 nan 0.000 0.511 8 L N 0.336 121.668 121.223 0.182 0.000 2.906 8 L HA 0.284 4.628 4.340 0.006 0.000 0.255 8 L C -0.053 177.008 176.870 0.319 0.000 1.166 8 L CA -0.032 54.951 54.840 0.240 0.000 0.977 8 L CB 0.499 42.611 42.059 0.087 0.000 1.313 8 L HN 0.002 nan 8.230 nan 0.000 0.549 9 L N 0.779 122.133 121.223 0.219 0.000 2.282 9 L HA 0.593 4.937 4.340 0.006 0.000 0.288 9 L C -0.631 176.301 176.870 0.103 0.000 1.033 9 L CA -0.507 54.439 54.840 0.176 0.000 0.807 9 L CB 1.818 43.938 42.059 0.102 0.000 1.209 9 L HN -0.243 nan 8.230 nan 0.000 0.423 10 V N 3.168 123.119 119.914 0.062 0.000 2.971 10 V HA 0.491 4.615 4.120 0.006 0.000 0.309 10 V C -0.556 175.468 176.094 -0.116 0.000 1.130 10 V CA -0.735 61.465 62.300 -0.167 0.000 0.964 10 V CB 2.829 34.312 31.823 -0.566 0.000 1.029 10 V HN 0.759 nan 8.190 nan 0.000 0.427 11 R N 2.426 122.823 120.500 -0.172 0.000 2.460 11 R HA 0.858 5.202 4.340 0.006 0.000 0.303 11 R C -0.922 175.283 176.300 -0.158 0.000 0.968 11 R CA -0.327 55.710 56.100 -0.105 0.000 0.889 11 R CB 1.916 32.158 30.300 -0.098 0.000 1.123 11 R HN 0.701 nan 8.270 nan 0.000 0.455 12 V N 1.582 121.459 119.914 -0.061 0.000 3.158 12 V HA 0.501 4.625 4.120 0.006 0.000 0.315 12 V C 1.070 177.081 176.094 -0.139 0.000 1.148 12 V CA -1.014 61.238 62.300 -0.080 0.000 1.042 12 V CB 1.627 33.539 31.823 0.148 0.000 1.101 12 V HN 0.864 nan 8.190 nan 0.000 0.448 13 R N 1.426 121.829 120.500 -0.161 0.000 2.154 13 R HA -0.040 4.304 4.340 0.006 0.000 0.248 13 R C 1.718 177.895 176.300 -0.206 0.000 1.155 13 R CA 2.466 58.471 56.100 -0.157 0.000 0.979 13 R CB -1.136 29.085 30.300 -0.130 0.000 0.869 13 R HN 1.051 nan 8.270 nan 0.000 0.452 14 G N -2.134 106.507 108.800 -0.265 0.000 2.838 14 G HA2 0.409 4.373 3.960 0.006 0.000 0.210 14 G HA3 0.409 4.373 3.960 0.006 0.000 0.210 14 G C 0.350 174.345 174.900 -1.509 0.000 1.153 14 G CA 0.317 45.032 45.100 -0.641 0.000 0.778 14 G HN 0.726 nan 8.290 nan 0.000 0.539 15 G N -1.032 107.100 108.800 -1.113 0.000 2.339 15 G HA2 0.197 4.161 3.960 0.006 0.000 0.275 15 G HA3 0.197 4.161 3.960 0.006 0.000 0.275 15 G C -1.382 173.435 174.900 -0.138 0.000 1.323 15 G CA -0.948 43.584 45.100 -0.947 0.000 0.927 15 G HN 0.264 nan 8.290 nan 0.000 0.486 16 Q N -0.492 119.424 119.800 0.193 0.000 2.235 16 Q HA 0.719 5.063 4.340 0.006 0.000 0.250 16 Q C -0.448 175.851 176.000 0.498 0.000 0.909 16 Q CA -0.252 55.732 55.803 0.301 0.000 0.910 16 Q CB 1.717 30.573 28.738 0.195 0.000 1.223 16 Q HN 0.442 nan 8.270 nan 0.000 0.432 17 L N 1.679 123.112 121.223 0.349 0.000 2.381 17 L HA 0.599 4.943 4.340 0.006 0.000 0.268 17 L C -0.535 176.530 176.870 0.325 0.000 0.997 17 L CA -0.764 54.289 54.840 0.355 0.000 0.818 17 L CB 2.133 44.446 42.059 0.423 0.000 1.310 17 L HN 0.457 nan 8.230 nan 0.000 0.416 18 R N 1.152 121.807 120.500 0.259 0.000 2.288 18 R HA 0.592 4.936 4.340 0.006 0.000 0.326 18 R C -0.125 176.245 176.300 0.117 0.000 0.959 18 R CA -0.295 55.924 56.100 0.199 0.000 0.834 18 R CB 1.477 31.834 30.300 0.095 0.000 1.157 18 R HN 0.826 nan 8.270 nan 0.000 0.470 19 G N 3.358 112.153 108.800 -0.007 0.000 2.531 19 G HA2 0.425 4.389 3.960 0.006 0.000 0.281 19 G HA3 0.425 4.389 3.960 0.006 0.000 0.281 19 G C -0.872 173.776 174.900 -0.420 0.000 1.382 19 G CA -0.672 44.048 45.100 -0.633 0.000 1.045 19 G HN 0.601 nan 8.290 nan 0.000 0.533 20 I N -1.094 119.182 120.570 -0.490 0.000 2.686 20 I HA 0.498 4.672 4.170 0.006 0.000 0.295 20 I C -0.210 175.749 176.117 -0.264 0.000 1.114 20 I CA -1.135 59.989 61.300 -0.294 0.000 1.038 20 I CB 2.154 39.999 38.000 -0.258 0.000 1.238 20 I HN 0.437 nan 8.210 nan 0.000 0.420 21 R N 7.806 128.174 120.500 -0.220 0.000 2.210 21 R HA 0.488 4.832 4.340 0.006 0.000 0.338 21 R C -1.619 174.536 176.300 -0.241 0.000 1.062 21 R CA -0.351 55.568 56.100 -0.302 0.000 0.902 21 R CB 0.441 30.474 30.300 -0.444 0.000 1.050 21 R HN 0.644 nan 8.270 nan 0.000 0.461 22 L N 3.579 124.687 121.223 -0.192 0.000 2.334 22 L HA 0.387 4.731 4.340 0.006 0.000 0.275 22 L C -0.144 176.647 176.870 -0.131 0.000 1.036 22 L CA -1.092 53.669 54.840 -0.131 0.000 0.807 22 L CB 1.583 43.605 42.059 -0.061 0.000 1.231 22 L HN 0.428 nan 8.230 nan 0.000 0.438 23 K N 2.531 122.866 120.400 -0.109 0.000 2.267 23 K HA 0.587 4.911 4.320 0.006 0.000 0.282 23 K C -0.726 175.818 176.600 -0.093 0.000 1.078 23 K CA -0.143 56.089 56.287 -0.092 0.000 0.903 23 K CB 1.159 33.617 32.500 -0.070 0.000 1.111 23 K HN 0.592 nan 8.250 nan 0.000 0.475 24 A N 5.722 128.488 122.820 -0.090 0.000 2.281 24 A HA 0.550 4.873 4.320 0.006 0.000 0.329 24 A C -1.800 175.791 177.584 0.013 0.000 1.122 24 A CA -1.760 50.219 52.037 -0.096 0.000 0.850 24 A CB 0.507 19.423 19.000 -0.140 0.000 1.207 24 A HN 0.692 nan 8.150 nan 0.000 0.495 25 P HA -0.130 nan 4.420 nan 0.000 0.217 25 P C 1.148 178.484 177.300 0.059 0.000 1.148 25 P CA 2.110 65.267 63.100 0.096 0.000 0.834 25 P CB 0.226 32.011 31.700 0.142 0.000 0.783 26 G N -2.483 106.353 108.800 0.061 0.000 3.233 26 G HA2 0.493 4.457 3.960 0.006 0.000 0.234 26 G HA3 0.493 4.457 3.960 0.006 0.000 0.234 26 G C 0.434 175.355 174.900 0.035 0.000 1.137 26 G CA 0.345 45.472 45.100 0.045 0.000 0.763 26 G HN 0.584 nan 8.290 nan 0.000 0.549 27 G N -0.468 108.345 108.800 0.023 0.000 2.369 27 G HA2 0.302 4.266 3.960 0.006 0.000 0.295 27 G HA3 0.302 4.266 3.960 0.006 0.000 0.295 27 G C -3.476 171.420 174.900 -0.007 0.000 1.298 27 G CA -0.880 44.229 45.100 0.015 0.000 0.940 27 G HN 0.054 nan 8.290 nan 0.000 0.536 28 P HA 0.537 nan 4.420 nan 0.000 0.278 28 P C -0.001 177.305 177.300 0.010 0.000 1.238 28 P CA -0.413 62.628 63.100 -0.099 0.000 0.794 28 P CB 1.535 33.067 31.700 -0.280 0.000 0.955 29 V N -1.124 118.784 119.914 -0.009 0.000 3.001 29 V HA 0.687 4.810 4.120 0.006 0.000 0.314 29 V C -0.465 175.706 176.094 0.130 0.000 1.099 29 V CA -0.918 61.460 62.300 0.130 0.000 0.989 29 V CB 1.919 33.825 31.823 0.137 0.000 1.040 29 V HN 0.392 nan 8.190 nan 0.000 0.434 30 S N 1.894 117.750 115.700 0.259 0.000 2.475 30 S HA 0.821 5.295 4.470 0.006 0.000 0.281 30 S C 0.072 174.685 174.600 0.022 0.000 1.198 30 S CA 0.016 58.323 58.200 0.178 0.000 1.063 30 S CB 1.142 64.564 63.200 0.369 0.000 0.972 30 S HN 1.569 nan 8.310 nan 0.000 0.486 31 A N 2.872 125.519 122.820 -0.288 0.000 2.343 31 A HA 0.787 5.111 4.320 0.006 0.000 0.316 31 A C -1.105 176.062 177.584 -0.694 0.000 1.104 31 A CA -0.654 51.101 52.037 -0.470 0.000 0.768 31 A CB 0.386 19.090 19.000 -0.493 0.000 1.213 31 A HN 0.688 nan 8.150 nan 0.000 0.456 32 F N 2.841 122.601 119.950 -0.316 0.000 2.366 32 F HA 0.488 5.018 4.527 0.006 0.000 0.366 32 F C -0.211 175.389 175.800 -0.335 0.000 1.096 32 F CA -0.292 57.592 58.000 -0.193 0.000 1.060 32 F CB 1.359 40.375 39.000 0.026 0.000 1.282 32 F HN 0.345 nan 8.300 nan 0.000 0.450 33 L N 2.285 123.355 121.223 -0.254 0.000 2.329 33 L HA 0.717 5.061 4.340 0.006 0.000 0.279 33 L C 0.794 177.556 176.870 -0.179 0.000 1.014 33 L CA -1.055 53.575 54.840 -0.350 0.000 0.814 33 L CB 1.813 43.461 42.059 -0.687 0.000 1.257 33 L HN 0.810 nan 8.230 nan 0.000 0.424 34 G N 3.107 111.860 108.800 -0.077 0.000 2.225 34 G HA2 -0.241 3.723 3.960 0.006 0.000 0.264 34 G HA3 -0.241 3.723 3.960 0.006 0.000 0.264 34 G C -0.150 174.784 174.900 0.058 0.000 1.060 34 G CA -0.376 44.689 45.100 -0.058 0.000 0.833 34 G HN 0.491 nan 8.290 nan 0.000 0.498 35 I N 1.234 121.863 120.570 0.098 0.000 2.396 35 I HA 0.240 4.414 4.170 0.006 0.000 0.289 35 I C -1.812 174.396 176.117 0.152 0.000 1.056 35 I CA -2.172 59.188 61.300 0.099 0.000 1.365 35 I CB 1.079 39.103 38.000 0.040 0.000 1.407 35 I HN -0.074 nan 8.210 nan 0.000 0.509 36 P HA 0.084 nan 4.420 nan 0.000 0.281 36 P C -0.173 177.112 177.300 -0.026 0.000 1.252 36 P CA -0.073 62.940 63.100 -0.145 0.000 0.778 36 P CB 0.308 31.940 31.700 -0.114 0.000 0.895 37 F N 1.250 121.066 119.950 -0.222 0.000 2.706 37 F HA 0.763 5.295 4.527 0.007 0.000 0.313 37 F C 0.100 175.899 175.800 -0.001 0.000 1.096 37 F CA -0.696 57.233 58.000 -0.118 0.000 1.219 37 F CB 0.176 38.977 39.000 -0.332 0.000 1.051 37 F HN 0.268 nan 8.300 nan 0.000 0.568 38 A N 0.050 122.603 122.820 -0.445 0.000 2.587 38 A HA 0.594 4.918 4.320 0.006 0.000 0.293 38 A C -0.901 176.530 177.584 -0.255 0.000 1.087 38 A CA -0.785 51.078 52.037 -0.290 0.000 0.692 38 A CB 1.020 19.768 19.000 -0.419 0.000 1.291 38 A HN 0.051 nan 8.150 nan 0.000 0.407 39 E N 1.158 121.281 120.200 -0.128 0.000 2.392 39 E HA 0.255 4.609 4.350 0.006 0.000 0.264 39 E C -2.322 174.183 176.600 -0.159 0.000 1.024 39 E CA -1.409 54.929 56.400 -0.104 0.000 0.903 39 E CB 0.044 29.720 29.700 -0.041 0.000 0.963 39 E HN 0.237 nan 8.360 nan 0.000 0.432 40 P HA 0.003 nan 4.420 nan 0.000 0.260 40 P C -2.284 174.949 177.300 -0.111 0.000 1.185 40 P CA -0.709 62.305 63.100 -0.143 0.000 0.763 40 P CB -0.104 31.547 31.700 -0.082 0.000 0.776 41 P HA 0.021 nan 4.420 nan 0.000 0.218 41 P C -0.304 176.935 177.300 -0.102 0.000 1.793 41 P CA 0.101 63.142 63.100 -0.098 0.000 0.941 41 P CB -0.155 31.488 31.700 -0.095 0.000 1.919 42 V N -3.233 116.629 119.914 -0.088 0.000 3.096 42 V HA 0.927 5.051 4.120 0.006 0.000 0.319 42 V C 0.950 177.000 176.094 -0.073 0.000 1.103 42 V CA 0.066 62.312 62.300 -0.089 0.000 1.016 42 V CB 0.940 32.719 31.823 -0.073 0.000 1.090 42 V HN 0.535 nan 8.190 nan 0.000 0.449 43 G N 2.430 111.187 108.800 -0.072 0.000 2.622 43 G HA2 -0.349 3.615 3.960 0.006 0.000 0.307 43 G HA3 -0.349 3.615 3.960 0.006 0.000 0.307 43 G C 1.242 176.115 174.900 -0.046 0.000 1.226 43 G CA 1.743 46.814 45.100 -0.049 0.000 0.997 43 G HN 2.415 nan 8.290 nan 0.000 0.551 44 S N 0.394 116.081 115.700 -0.022 0.000 2.547 44 S HA 0.037 4.511 4.470 0.006 0.000 0.235 44 S C 1.891 176.487 174.600 -0.007 0.000 0.980 44 S CA 1.614 59.812 58.200 -0.003 0.000 0.941 44 S CB -0.054 63.150 63.200 0.007 0.000 0.763 44 S HN 0.658 nan 8.310 nan 0.000 0.532 45 R N 0.742 121.223 120.500 -0.032 0.000 2.317 45 R HA 0.231 4.575 4.340 0.006 0.000 0.208 45 R C 0.888 177.147 176.300 -0.069 0.000 0.914 45 R CA -0.228 55.852 56.100 -0.033 0.000 1.060 45 R CB 0.008 30.287 30.300 -0.035 0.000 1.015 45 R HN 0.436 nan 8.270 nan 0.000 0.498 46 R N 0.778 121.190 120.500 -0.147 0.000 2.585 46 R HA -0.132 4.212 4.340 0.006 0.000 0.275 46 R C -0.276 175.833 176.300 -0.319 0.000 1.018 46 R CA 0.611 56.496 56.100 -0.359 0.000 1.072 46 R CB 0.146 30.091 30.300 -0.593 0.000 0.953 46 R HN 0.077 nan 8.270 nan 0.000 0.419 47 F N -0.823 119.137 119.950 0.018 0.000 2.705 47 F HA -0.293 4.238 4.527 0.006 0.000 0.413 47 F C 0.135 175.923 175.800 -0.019 0.000 0.588 47 F CA 0.572 58.560 58.000 -0.020 0.000 1.187 47 F CB -1.413 37.566 39.000 -0.036 0.000 1.737 47 F HN 0.448 nan 8.300 nan 0.000 0.285 48 M N 1.360 121.024 119.600 0.107 0.000 2.288 48 M HA 0.372 4.855 4.480 0.006 0.000 0.334 48 M C -1.837 174.488 176.300 0.042 0.000 1.150 48 M CA -1.741 53.602 55.300 0.071 0.000 1.118 48 M CB 0.258 32.886 32.600 0.047 0.000 1.501 48 M HN -0.332 nan 8.290 nan 0.000 0.462 49 P HA 0.088 nan 4.420 nan 0.000 0.266 49 P C -2.418 174.905 177.300 0.038 0.000 1.193 49 P CA -0.492 62.636 63.100 0.046 0.000 0.770 49 P CB -0.527 31.210 31.700 0.062 0.000 0.836 50 P HA 0.176 nan 4.420 nan 0.000 0.275 50 P C -0.644 176.684 177.300 0.046 0.000 1.227 50 P CA 0.061 63.179 63.100 0.030 0.000 0.781 50 P CB 0.878 32.612 31.700 0.056 0.000 0.906 51 E N 3.722 123.935 120.200 0.022 0.000 2.204 51 E HA 0.354 4.708 4.350 0.006 0.000 0.276 51 E C -2.241 174.387 176.600 0.046 0.000 0.974 51 E CA -2.341 54.082 56.400 0.038 0.000 0.815 51 E CB 0.379 30.094 29.700 0.025 0.000 1.119 51 E HN 0.348 nan 8.360 nan 0.000 0.393 52 P HA -0.110 nan 4.420 nan 0.000 0.265 52 P C -0.675 176.683 177.300 0.096 0.000 1.187 52 P CA 0.053 63.225 63.100 0.119 0.000 0.766 52 P CB 0.388 32.161 31.700 0.121 0.000 0.820 53 K N 3.846 124.323 120.400 0.128 0.000 2.447 53 K HA 0.032 4.356 4.320 0.006 0.000 0.281 53 K C -0.129 176.562 176.600 0.152 0.000 1.031 53 K CA 0.411 56.775 56.287 0.128 0.000 1.019 53 K CB 0.097 32.713 32.500 0.193 0.000 0.918 53 K HN 0.249 nan 8.250 nan 0.000 0.476 54 R N 5.548 126.122 120.500 0.123 0.000 2.389 54 R HA 0.187 4.531 4.340 0.006 0.000 0.295 54 R C -2.011 174.376 176.300 0.144 0.000 1.075 54 R CA -1.661 54.501 56.100 0.103 0.000 1.005 54 R CB 0.225 30.571 30.300 0.077 0.000 0.987 54 R HN 0.582 nan 8.270 nan 0.000 0.452 55 P HA -0.126 nan 4.420 nan 0.000 0.266 55 P C -1.139 176.186 177.300 0.041 0.000 1.186 55 P CA 0.208 63.250 63.100 -0.096 0.000 0.767 55 P CB 0.307 31.907 31.700 -0.166 0.000 0.820 56 W N 1.107 122.441 121.300 0.057 0.000 2.655 56 W HA 0.674 5.338 4.660 0.006 0.000 0.358 56 W C -0.607 175.938 176.519 0.043 0.000 1.100 56 W CA -1.029 56.346 57.345 0.051 0.000 1.195 56 W CB 0.022 29.520 29.460 0.063 0.000 1.403 56 W HN 0.369 nan 8.180 nan 0.000 0.589 57 S N 1.583 117.459 115.700 0.294 0.000 2.616 57 S HA 0.794 5.268 4.470 0.006 0.000 0.277 57 S C 0.505 175.279 174.600 0.292 0.000 1.234 57 S CA 0.071 58.382 58.200 0.184 0.000 1.028 57 S CB 0.823 64.094 63.200 0.119 0.000 0.988 57 S HN 2.129 nan 8.310 nan 0.000 0.522 58 G N 0.434 109.352 108.800 0.195 0.000 2.645 58 G HA2 -0.160 3.803 3.960 0.006 0.000 0.239 58 G HA3 -0.160 3.803 3.960 0.006 0.000 0.239 58 G C -0.675 174.402 174.900 0.295 0.000 1.331 58 G CA -0.340 44.875 45.100 0.193 0.000 0.890 58 G HN 1.648 nan 8.290 nan 0.000 0.572 59 V N 1.002 121.045 119.914 0.216 0.000 2.333 59 V HA 0.492 4.616 4.120 0.006 0.000 0.274 59 V C 0.907 177.090 176.094 0.150 0.000 1.028 59 V CA -0.218 62.217 62.300 0.225 0.000 0.851 59 V CB 1.111 33.020 31.823 0.143 0.000 1.000 59 V HN 0.790 nan 8.190 nan 0.000 0.456 60 L N 5.032 126.339 121.223 0.140 0.000 2.418 60 L HA 0.259 4.603 4.340 0.006 0.000 0.274 60 L C 0.665 177.504 176.870 -0.053 0.000 1.135 60 L CA 0.100 54.836 54.840 -0.173 0.000 0.870 60 L CB 0.507 42.142 42.059 -0.707 0.000 1.154 60 L HN 0.693 nan 8.230 nan 0.000 0.462 61 D N 5.042 125.397 120.400 -0.076 0.000 2.383 61 D HA 0.141 4.785 4.640 0.006 0.000 0.252 61 D C -0.426 175.829 176.300 -0.076 0.000 1.166 61 D CA 0.066 54.035 54.000 -0.052 0.000 0.879 61 D CB 1.544 42.305 40.800 -0.066 0.000 1.164 61 D HN 0.663 nan 8.370 nan 0.000 0.462 62 A N 3.150 125.948 122.820 -0.037 0.000 3.105 62 A HA 0.245 4.569 4.320 0.006 0.000 0.297 62 A C 0.788 178.278 177.584 -0.157 0.000 0.977 62 A CA -0.433 51.573 52.037 -0.053 0.000 1.020 62 A CB -0.082 18.990 19.000 0.120 0.000 1.098 62 A HN 0.574 nan 8.150 nan 0.000 0.497 63 T N -3.191 111.251 114.554 -0.187 0.000 3.044 63 T HA 0.297 4.651 4.350 0.006 0.000 0.260 63 T C 0.628 175.161 174.700 -0.278 0.000 1.019 63 T CA 0.713 62.672 62.100 -0.235 0.000 0.921 63 T CB -0.145 68.620 68.868 -0.173 0.000 1.053 63 T HN 0.805 nan 8.240 nan 0.000 0.533 64 T N -0.474 113.914 114.554 -0.278 0.000 2.900 64 T HA 0.692 5.046 4.350 0.006 0.000 0.303 64 T C -0.791 173.739 174.700 -0.285 0.000 1.142 64 T CA -0.878 61.051 62.100 -0.284 0.000 1.007 64 T CB 1.055 69.827 68.868 -0.161 0.000 1.156 64 T HN -0.009 nan 8.240 nan 0.000 0.490 65 F N 2.090 121.966 119.950 -0.122 0.000 2.553 65 F HA 0.315 4.846 4.527 0.006 0.000 0.356 65 F C 1.476 177.171 175.800 -0.175 0.000 1.142 65 F CA -0.009 57.920 58.000 -0.119 0.000 1.322 65 F CB 0.445 39.404 39.000 -0.068 0.000 1.126 65 F HN 0.498 nan 8.300 nan 0.000 0.599 66 Q N 1.168 120.969 119.800 0.001 0.000 2.162 66 Q HA 0.229 4.573 4.340 0.006 0.000 0.197 66 Q C -0.203 175.713 176.000 -0.140 0.000 1.013 66 Q CA -0.795 54.854 55.803 -0.258 0.000 1.040 66 Q CB 0.539 28.836 28.738 -0.736 0.000 1.114 66 Q HN 0.507 nan 8.270 nan 0.000 0.547 67 N N -0.170 118.418 118.700 -0.188 0.000 2.345 67 N HA -0.013 4.731 4.740 0.006 0.000 0.243 67 N C -0.585 174.903 175.510 -0.036 0.000 1.246 67 N CA 0.202 53.201 53.050 -0.085 0.000 0.863 67 N CB 0.347 38.807 38.487 -0.046 0.000 1.096 67 N HN 0.165 nan 8.380 nan 0.000 0.446 68 V N 1.934 121.799 119.914 -0.083 0.000 2.509 68 V HA 0.094 4.217 4.120 0.006 0.000 0.284 68 V C 0.573 176.608 176.094 -0.098 0.000 1.047 68 V CA -0.848 61.392 62.300 -0.100 0.000 0.952 68 V CB 1.104 32.830 31.823 -0.163 0.000 0.988 68 V HN 0.713 nan 8.190 nan 0.000 0.469 69 c N 4.503 123.065 118.600 -0.063 0.000 2.611 69 c HA 0.078 4.652 4.570 0.006 0.000 0.416 69 c C 0.562 174.601 174.090 -0.086 0.000 1.366 69 c CA -0.567 55.730 56.329 -0.053 0.000 1.761 69 c CB -1.179 41.328 42.510 -0.006 0.000 2.619 69 c HN 0.752 nan 8.230 nan 0.000 0.606 70 Y N 4.058 124.212 120.300 -0.244 0.000 2.805 70 Y HA 0.139 4.693 4.550 0.006 0.000 0.331 70 Y C 0.880 176.761 175.900 -0.030 0.000 1.241 70 Y CA 1.090 59.036 58.100 -0.257 0.000 1.546 70 Y CB 0.118 38.197 38.460 -0.636 0.000 1.248 70 Y HN 0.745 nan 8.280 nan 0.000 0.559 71 Q N 4.295 124.150 119.800 0.091 0.000 2.575 71 Q HA 0.229 4.573 4.340 0.006 0.000 0.290 71 Q C -1.783 174.366 176.000 0.248 0.000 0.963 71 Q CA -1.207 54.747 55.803 0.253 0.000 0.783 71 Q CB 1.257 30.073 28.738 0.130 0.000 1.467 71 Q HN 0.659 nan 8.270 nan 0.000 0.402 72 Y N 1.069 121.507 120.300 0.230 0.000 2.578 72 Y HA 0.351 4.904 4.550 0.006 0.000 0.339 72 Y C -0.965 175.021 175.900 0.143 0.000 1.231 72 Y CA 0.233 58.444 58.100 0.185 0.000 1.461 72 Y CB 0.951 39.507 38.460 0.160 0.000 1.323 72 Y HN 0.437 nan 8.280 nan 0.000 0.590 73 V N 6.501 126.034 119.914 -0.635 0.000 2.409 73 V HA 0.102 4.226 4.120 0.006 0.000 0.291 73 V C -0.534 175.177 176.094 -0.638 0.000 1.020 73 V CA -1.042 60.993 62.300 -0.442 0.000 0.848 73 V CB 1.407 33.082 31.823 -0.247 0.000 0.990 73 V HN 0.822 nan 8.190 nan 0.000 0.430 74 D N 3.211 123.499 120.400 -0.187 0.000 2.488 74 D HA 0.159 4.803 4.640 0.006 0.000 0.238 74 D C 1.001 177.358 176.300 0.096 0.000 1.138 74 D CA 0.913 54.970 54.000 0.096 0.000 0.873 74 D CB 1.083 42.078 40.800 0.325 0.000 1.183 74 D HN 0.774 nan 8.370 nan 0.000 0.458 75 T N 1.061 115.730 114.554 0.192 0.000 3.144 75 T HA 0.036 4.390 4.350 0.006 0.000 0.290 75 T C 1.379 176.151 174.700 0.120 0.000 0.966 75 T CA -0.493 61.687 62.100 0.133 0.000 0.907 75 T CB -0.050 68.876 68.868 0.098 0.000 1.152 75 T HN 0.255 nan 8.240 nan 0.000 0.532 76 L N 1.202 122.514 121.223 0.149 0.000 1.970 76 L HA 0.147 4.491 4.340 0.006 0.000 0.212 76 L C -0.083 176.562 176.870 -0.374 0.000 1.071 76 L CA 1.705 56.440 54.840 -0.175 0.000 0.751 76 L CB -0.592 41.239 42.059 -0.380 0.000 0.889 76 L HN 0.421 nan 8.230 nan 0.000 0.432 77 Y N 0.062 120.441 120.300 0.132 0.000 2.837 77 Y HA 0.418 4.971 4.550 0.006 0.000 0.356 77 Y C -2.152 173.823 175.900 0.126 0.000 1.035 77 Y CA -3.465 54.679 58.100 0.073 0.000 1.165 77 Y CB -0.298 38.154 38.460 -0.013 0.000 1.147 77 Y HN 0.127 nan 8.280 nan 0.000 0.628 78 P HA 0.106 nan 4.420 nan 0.000 0.262 78 P C 1.043 178.418 177.300 0.125 0.000 1.199 78 P CA 1.448 64.625 63.100 0.128 0.000 0.763 78 P CB 0.686 32.432 31.700 0.075 0.000 0.790 79 G N 2.883 111.744 108.800 0.101 0.000 2.241 79 G HA2 -0.282 3.682 3.960 0.006 0.000 0.244 79 G HA3 -0.282 3.682 3.960 0.006 0.000 0.244 79 G C -0.014 174.930 174.900 0.074 0.000 0.998 79 G CA -0.416 44.721 45.100 0.061 0.000 0.621 79 G HN 0.539 nan 8.290 nan 0.000 0.519 80 F N 2.369 122.290 119.950 -0.049 0.000 2.467 80 F HA 0.615 5.146 4.527 0.006 0.000 0.362 80 F C 1.367 177.070 175.800 -0.161 0.000 1.090 80 F CA -0.295 57.621 58.000 -0.141 0.000 1.202 80 F CB 1.431 40.318 39.000 -0.189 0.000 1.113 80 F HN 0.101 nan 8.300 nan 0.000 0.541 81 E N 3.933 123.659 120.200 -0.790 0.000 2.153 81 E HA -0.045 4.309 4.350 0.006 0.000 0.194 81 E C 2.179 178.282 176.600 -0.829 0.000 0.988 81 E CA 1.684 57.681 56.400 -0.671 0.000 0.811 81 E CB -0.541 28.850 29.700 -0.515 0.000 0.746 81 E HN 0.881 nan 8.360 nan 0.000 0.466 82 G N -0.708 107.082 108.800 -1.684 0.000 2.448 82 G HA2 -0.273 3.691 3.960 0.006 0.000 0.219 82 G HA3 -0.273 3.691 3.960 0.006 0.000 0.219 82 G C 1.654 176.566 174.900 0.020 0.000 1.127 82 G CA 1.608 46.091 45.100 -1.030 0.000 0.766 82 G HN 0.489 nan 8.290 nan 0.000 0.552 83 T N -2.389 112.167 114.554 0.004 0.000 3.034 83 T HA 0.151 4.505 4.350 0.006 0.000 0.248 83 T C 1.871 176.722 174.700 0.252 0.000 1.040 83 T CA 0.630 63.025 62.100 0.492 0.000 1.107 83 T CB 0.119 69.361 68.868 0.622 0.000 0.932 83 T HN 0.117 nan 8.240 nan 0.000 0.474 84 E N 2.329 122.533 120.200 0.007 0.000 2.150 84 E HA -0.075 4.279 4.350 0.006 0.000 0.193 84 E C 2.280 178.783 176.600 -0.163 0.000 0.985 84 E CA 1.285 57.651 56.400 -0.057 0.000 0.814 84 E CB -0.489 29.148 29.700 -0.106 0.000 0.752 84 E HN 0.789 nan 8.360 nan 0.000 0.466 85 M N -1.973 117.433 119.600 -0.323 0.000 2.267 85 M HA -0.109 4.375 4.480 0.006 0.000 0.263 85 M C 1.477 177.423 176.300 -0.590 0.000 1.063 85 M CA 1.581 56.549 55.300 -0.553 0.000 1.090 85 M CB -0.704 31.420 32.600 -0.793 0.000 1.392 85 M HN 0.020 nan 8.290 nan 0.000 0.422 86 W N 1.089 122.312 121.300 -0.128 0.000 2.942 86 W HA 0.238 4.901 4.660 0.006 0.000 0.263 86 W C 0.595 177.014 176.519 -0.167 0.000 1.296 86 W CA -0.947 56.299 57.345 -0.165 0.000 1.504 86 W CB -0.214 29.188 29.460 -0.098 0.000 1.096 86 W HN 0.121 nan 8.180 nan 0.000 0.639 87 N N 1.545 120.269 118.700 0.040 0.000 2.444 87 N HA 0.107 4.851 4.740 0.006 0.000 0.255 87 N C -2.388 173.058 175.510 -0.108 0.000 1.255 87 N CA -1.289 51.747 53.050 -0.023 0.000 0.933 87 N CB -0.212 38.263 38.487 -0.020 0.000 1.143 87 N HN -0.333 nan 8.380 nan 0.000 0.453 88 P HA 0.028 nan 4.420 nan 0.000 0.264 88 P C 0.276 177.482 177.300 -0.158 0.000 1.183 88 P CA 0.147 63.149 63.100 -0.164 0.000 0.763 88 P CB 0.334 31.933 31.700 -0.169 0.000 0.807 89 N N 2.181 120.776 118.700 -0.176 0.000 2.200 89 N HA 0.079 4.823 4.740 0.006 0.000 0.224 89 N C 0.085 175.520 175.510 -0.126 0.000 1.179 89 N CA -0.017 52.940 53.050 -0.155 0.000 0.877 89 N CB 0.621 38.997 38.487 -0.184 0.000 1.072 89 N HN 0.228 nan 8.380 nan 0.000 0.519 90 R N 0.113 120.535 120.500 -0.130 0.000 2.855 90 R HA 0.262 4.605 4.340 0.006 0.000 0.266 90 R C -0.690 175.539 176.300 -0.119 0.000 1.034 90 R CA -0.710 55.328 56.100 -0.103 0.000 0.944 90 R CB 1.458 31.707 30.300 -0.085 0.000 1.219 90 R HN 0.222 nan 8.270 nan 0.000 0.474 91 E N 1.712 121.848 120.200 -0.106 0.000 2.452 91 E HA -0.005 4.349 4.350 0.006 0.000 0.261 91 E C -0.529 175.978 176.600 -0.155 0.000 0.987 91 E CA -0.034 56.295 56.400 -0.118 0.000 0.926 91 E CB 0.537 30.184 29.700 -0.088 0.000 0.934 91 E HN 0.278 nan 8.360 nan 0.000 0.452 92 L N 3.700 124.784 121.223 -0.233 0.000 2.410 92 L HA 0.192 4.536 4.340 0.006 0.000 0.273 92 L C 0.361 177.095 176.870 -0.227 0.000 1.152 92 L CA 0.121 54.734 54.840 -0.379 0.000 0.855 92 L CB 0.949 42.531 42.059 -0.794 0.000 1.129 92 L HN 0.468 nan 8.230 nan 0.000 0.463 93 S N 1.264 116.902 115.700 -0.103 0.000 2.552 93 S HA 0.203 4.677 4.470 0.006 0.000 0.272 93 S C 0.240 174.851 174.600 0.018 0.000 1.150 93 S CA -0.683 57.553 58.200 0.060 0.000 0.849 93 S CB 1.649 64.856 63.200 0.013 0.000 1.113 93 S HN 0.738 nan 8.310 nan 0.000 0.458 94 E N 0.848 121.023 120.200 -0.041 0.000 2.274 94 E HA -0.053 4.301 4.350 0.006 0.000 0.194 94 E C -0.330 176.213 176.600 -0.095 0.000 0.996 94 E CA 0.496 56.791 56.400 -0.175 0.000 0.840 94 E CB 0.100 29.649 29.700 -0.253 0.000 0.772 94 E HN 0.551 nan 8.360 nan 0.000 0.491 95 D N 0.314 120.694 120.400 -0.033 0.000 2.470 95 D HA -0.006 4.638 4.640 0.006 0.000 0.226 95 D C 0.050 176.429 176.300 0.132 0.000 1.196 95 D CA -0.257 53.750 54.000 0.013 0.000 0.979 95 D CB -0.012 40.815 40.800 0.045 0.000 1.059 95 D HN 0.139 nan 8.370 nan 0.000 0.515 96 c N 2.370 121.011 118.600 0.068 0.000 4.095 96 c HA 0.347 4.921 4.570 0.006 0.000 0.327 96 c C 0.643 174.799 174.090 0.111 0.000 1.811 96 c CA -0.653 55.788 56.329 0.187 0.000 1.785 96 c CB -1.204 41.346 42.510 0.067 0.000 3.120 96 c HN 0.435 nan 8.230 nan 0.000 0.621 97 L N 2.567 123.597 121.223 -0.320 0.000 2.384 97 L HA 0.379 4.723 4.340 0.006 0.000 0.258 97 L C -0.906 175.378 176.870 -0.976 0.000 1.266 97 L CA 0.607 55.069 54.840 -0.630 0.000 1.162 97 L CB -0.742 40.799 42.059 -0.863 0.000 1.375 97 L HN 0.402 nan 8.230 nan 0.000 0.420 98 Y N 1.927 122.213 120.300 -0.023 0.000 2.576 98 Y HA 0.654 5.208 4.550 0.006 0.000 0.346 98 Y C -0.074 176.023 175.900 0.327 0.000 1.018 98 Y CA -1.237 56.926 58.100 0.105 0.000 1.050 98 Y CB 2.025 40.496 38.460 0.019 0.000 1.280 98 Y HN 0.199 nan 8.280 nan 0.000 0.474 99 L N -0.233 121.179 121.223 0.316 0.000 2.303 99 L HA 0.778 5.122 4.340 0.006 0.000 0.256 99 L C -1.363 175.506 176.870 -0.001 0.000 1.034 99 L CA -1.226 53.669 54.840 0.092 0.000 0.832 99 L CB 1.806 43.724 42.059 -0.234 0.000 1.403 99 L HN 0.494 nan 8.230 nan 0.000 0.419 100 N N 0.040 118.738 118.700 -0.005 0.000 2.238 100 N HA 0.733 5.477 4.740 0.006 0.000 0.302 100 N C -1.547 173.860 175.510 -0.172 0.000 1.072 100 N CA -0.419 52.545 53.050 -0.143 0.000 0.792 100 N CB 2.897 41.287 38.487 -0.161 0.000 1.425 100 N HN 0.512 nan 8.380 nan 0.000 0.478 101 V N 1.373 121.107 119.914 -0.300 0.000 2.531 101 V HA 0.481 4.605 4.120 0.006 0.000 0.301 101 V C -0.770 175.232 176.094 -0.153 0.000 1.034 101 V CA -0.775 61.431 62.300 -0.156 0.000 0.865 101 V CB 2.155 33.749 31.823 -0.381 0.000 0.995 101 V HN 0.542 nan 8.190 nan 0.000 0.424 102 W N 2.769 124.146 121.300 0.128 0.000 2.606 102 W HA 0.724 5.388 4.660 0.007 0.000 0.332 102 W C 0.120 176.731 176.519 0.153 0.000 1.052 102 W CA -0.452 56.975 57.345 0.137 0.000 1.223 102 W CB 2.476 32.002 29.460 0.111 0.000 1.383 102 W HN 0.662 nan 8.180 nan 0.000 0.524 103 T N -0.253 114.537 114.554 0.393 0.000 2.843 103 T HA 0.476 4.830 4.350 0.006 0.000 0.302 103 T C -2.888 171.978 174.700 0.276 0.000 1.232 103 T CA -2.238 60.049 62.100 0.311 0.000 1.009 103 T CB 2.108 71.173 68.868 0.329 0.000 1.254 103 T HN -0.099 nan 8.240 nan 0.000 0.504 104 P HA 0.187 nan 4.420 nan 0.000 0.270 104 P C -1.525 175.918 177.300 0.238 0.000 1.221 104 P CA -0.057 63.158 63.100 0.191 0.000 0.788 104 P CB 0.074 31.855 31.700 0.135 0.000 0.904 105 Y N 2.026 122.379 120.300 0.090 0.000 2.346 105 Y HA 0.413 4.967 4.550 0.006 0.000 0.332 105 Y C -2.194 173.741 175.900 0.058 0.000 0.985 105 Y CA -2.394 55.753 58.100 0.078 0.000 1.112 105 Y CB 1.126 39.620 38.460 0.057 0.000 1.170 105 Y HN 0.335 nan 8.280 nan 0.000 0.447 106 P HA 0.197 nan 4.420 nan 0.000 0.274 106 P C -0.761 176.466 177.300 -0.120 0.000 1.260 106 P CA -0.309 62.492 63.100 -0.497 0.000 0.793 106 P CB 1.043 32.528 31.700 -0.359 0.000 1.048 107 R N 0.163 120.631 120.500 -0.054 0.000 2.784 107 R HA 0.190 4.534 4.340 0.006 0.000 0.266 107 R C -1.853 174.474 176.300 0.044 0.000 1.044 107 R CA -1.099 55.042 56.100 0.068 0.000 1.151 107 R CB -1.134 29.233 30.300 0.111 0.000 1.037 107 R HN 0.421 nan 8.270 nan 0.000 0.478 108 P HA -0.066 nan 4.420 nan 0.000 0.267 108 P C -0.286 177.033 177.300 0.031 0.000 1.200 108 P CA 0.346 63.478 63.100 0.054 0.000 0.772 108 P CB 0.735 32.479 31.700 0.072 0.000 0.855 109 A N 2.327 125.158 122.820 0.019 0.000 1.861 109 A HA 0.040 4.364 4.320 0.006 0.000 0.212 109 A C 1.034 178.622 177.584 0.007 0.000 1.199 109 A CA 1.446 53.487 52.037 0.007 0.000 0.613 109 A CB -0.965 18.037 19.000 0.003 0.000 0.846 109 A HN 0.627 nan 8.150 nan 0.000 0.446 110 S N -0.464 115.242 115.700 0.011 0.000 2.687 110 S HA 0.582 5.056 4.470 0.006 0.000 0.283 110 S C -3.018 171.591 174.600 0.015 0.000 1.170 110 S CA -1.697 56.508 58.200 0.007 0.000 1.008 110 S CB 0.639 63.841 63.200 0.003 0.000 1.026 110 S HN 0.057 nan 8.310 nan 0.000 0.541 111 P HA 0.174 nan 4.420 nan 0.000 0.260 111 P C -0.705 176.607 177.300 0.020 0.000 1.185 111 P CA 0.347 63.456 63.100 0.016 0.000 0.763 111 P CB 0.071 31.772 31.700 0.001 0.000 0.776 112 T N 5.985 120.562 114.554 0.039 0.000 2.824 112 T HA 0.406 4.760 4.350 0.006 0.000 0.280 112 T C -2.414 172.312 174.700 0.043 0.000 0.995 112 T CA -1.849 60.276 62.100 0.043 0.000 1.009 112 T CB 0.833 69.740 68.868 0.066 0.000 0.955 112 T HN 0.141 nan 8.240 nan 0.000 0.452 113 P HA 0.177 nan 4.420 nan 0.000 0.265 113 P C -0.868 176.465 177.300 0.055 0.000 1.193 113 P CA -0.273 62.838 63.100 0.018 0.000 0.765 113 P CB 0.398 32.090 31.700 -0.013 0.000 0.823 114 V N 5.051 125.014 119.914 0.082 0.000 2.483 114 V HA 0.329 4.453 4.120 0.006 0.000 0.295 114 V C 0.315 176.491 176.094 0.138 0.000 1.035 114 V CA -0.550 61.824 62.300 0.125 0.000 0.896 114 V CB 1.313 33.226 31.823 0.151 0.000 0.986 114 V HN 0.375 nan 8.190 nan 0.000 0.447 115 L N 5.664 126.985 121.223 0.163 0.000 2.313 115 L HA 0.593 4.937 4.340 0.006 0.000 0.283 115 L C -0.696 176.411 176.870 0.394 0.000 1.013 115 L CA -0.335 54.626 54.840 0.202 0.000 0.816 115 L CB 1.643 43.726 42.059 0.040 0.000 1.236 115 L HN 0.509 nan 8.230 nan 0.000 0.419 116 I N 3.233 124.076 120.570 0.454 0.000 2.355 116 I HA 0.211 4.385 4.170 0.006 0.000 0.288 116 I C -0.508 175.904 176.117 0.492 0.000 0.999 116 I CA -0.416 61.131 61.300 0.412 0.000 1.163 116 I CB 1.343 39.463 38.000 0.200 0.000 1.316 116 I HN 0.621 nan 8.210 nan 0.000 0.454 117 W N 8.450 129.859 121.300 0.182 0.000 2.315 117 W HA 0.577 5.240 4.660 0.005 0.000 0.316 117 W C -1.463 174.938 176.519 -0.196 0.000 1.211 117 W CA -0.564 56.619 57.345 -0.270 0.000 1.201 117 W CB 1.182 30.496 29.460 -0.243 0.000 1.184 117 W HN 0.342 nan 8.180 nan 0.000 0.544 118 I N 8.681 128.554 120.570 -1.161 0.000 2.439 118 I HA 0.073 4.247 4.170 0.006 0.000 0.283 118 I C -0.345 174.930 176.117 -1.404 0.000 1.023 118 I CA -1.105 59.594 61.300 -1.002 0.000 1.100 118 I CB 0.856 38.452 38.000 -0.673 0.000 1.238 118 I HN 0.299 nan 8.210 nan 0.000 0.445 119 Y N 4.519 124.324 120.300 -0.825 0.000 2.426 119 Y HA 0.686 5.240 4.550 0.006 0.000 0.344 119 Y C 0.762 176.456 175.900 -0.343 0.000 1.256 119 Y CA -0.748 56.999 58.100 -0.589 0.000 1.451 119 Y CB -0.065 38.277 38.460 -0.198 0.000 1.342 119 Y HN 0.514 nan 8.280 nan 0.000 0.600 120 G N -1.081 107.703 108.800 -0.026 0.000 2.583 120 G HA2 0.500 4.464 3.960 0.006 0.000 0.280 120 G HA3 0.500 4.464 3.960 0.006 0.000 0.280 120 G C 0.199 174.968 174.900 -0.218 0.000 1.376 120 G CA -0.944 44.038 45.100 -0.197 0.000 1.043 120 G HN 1.710 nan 8.290 nan 0.000 0.538 121 G N -2.735 105.751 108.800 -0.524 0.000 2.223 121 G HA2 0.413 4.377 3.960 0.006 0.000 0.200 121 G HA3 0.413 4.377 3.960 0.006 0.000 0.200 121 G C 0.996 175.232 174.900 -1.106 0.000 1.061 121 G CA 0.689 45.342 45.100 -0.746 0.000 0.790 121 G HN 2.310 nan 8.290 nan 0.000 0.498 122 G N -0.418 107.695 108.800 -1.145 0.000 2.233 122 G HA2 -0.136 3.828 3.960 0.006 0.000 0.270 122 G HA3 -0.136 3.828 3.960 0.006 0.000 0.270 122 G C 0.933 175.412 174.900 -0.702 0.000 1.011 122 G CA 0.776 44.894 45.100 -1.637 0.000 0.762 122 G HN 1.765 nan 8.290 nan 0.000 0.511 123 F N -3.371 116.332 119.950 -0.411 0.000 2.935 123 F HA -0.331 4.200 4.527 0.006 0.000 0.317 123 F C 1.504 177.339 175.800 0.059 0.000 0.699 123 F CA 2.234 60.149 58.000 -0.141 0.000 1.127 123 F CB -2.064 36.738 39.000 -0.331 0.000 1.491 123 F HN 0.893 nan 8.300 nan 0.000 0.337 124 Y N -1.217 119.113 120.300 0.050 0.000 2.453 124 Y HA 0.643 5.197 4.550 0.006 0.000 0.247 124 Y C 0.651 176.593 175.900 0.071 0.000 1.124 124 Y CA 0.252 58.418 58.100 0.110 0.000 1.243 124 Y CB -0.022 38.454 38.460 0.026 0.000 1.213 124 Y HN 0.077 nan 8.280 nan 0.000 0.523 125 S N -0.767 114.607 115.700 -0.543 0.000 2.688 125 S HA 0.900 5.374 4.470 0.006 0.000 0.275 125 S C -0.171 174.207 174.600 -0.369 0.000 1.175 125 S CA -0.502 57.452 58.200 -0.409 0.000 0.818 125 S CB 1.548 64.419 63.200 -0.547 0.000 1.157 125 S HN 1.332 nan 8.310 nan 0.000 0.482 126 G N -0.739 107.823 108.800 -0.397 0.000 2.406 126 G HA2 0.556 4.520 3.960 0.006 0.000 0.680 126 G HA3 0.556 4.520 3.960 0.006 0.000 0.680 126 G C -0.714 173.510 174.900 -1.126 0.000 1.338 126 G CA -0.217 44.479 45.100 -0.673 0.000 0.941 126 G HN 2.247 nan 8.290 nan 0.000 0.633 127 A N -1.173 120.804 122.820 -1.405 0.000 2.594 127 A HA 0.972 5.296 4.320 0.006 0.000 0.296 127 A C 0.438 177.821 177.584 -0.335 0.000 1.056 127 A CA 0.644 52.166 52.037 -0.858 0.000 0.693 127 A CB 0.833 19.591 19.000 -0.403 0.000 1.278 127 A HN 2.591 nan 8.150 nan 0.000 0.408 128 A N 0.528 123.395 122.820 0.077 0.000 2.251 128 A HA 0.331 4.654 4.320 0.006 0.000 0.209 128 A C 1.579 179.220 177.584 0.095 0.000 1.187 128 A CA 1.533 53.791 52.037 0.367 0.000 0.823 128 A CB -0.513 18.777 19.000 0.484 0.000 0.846 128 A HN 1.847 nan 8.150 nan 0.000 0.486 129 S N -0.544 114.975 115.700 -0.301 0.000 2.556 129 S HA 0.335 4.809 4.470 0.006 0.000 0.216 129 S C 0.470 174.623 174.600 -0.744 0.000 0.970 129 S CA -0.454 57.093 58.200 -1.088 0.000 0.912 129 S CB -0.560 61.950 63.200 -1.150 0.000 0.790 129 S HN 0.371 nan 8.310 nan 0.000 0.504 130 L N 2.110 123.078 121.223 -0.425 0.000 2.483 130 L HA 0.155 4.499 4.340 0.006 0.000 0.276 130 L C 1.247 177.799 176.870 -0.529 0.000 1.213 130 L CA -0.408 54.127 54.840 -0.509 0.000 0.843 130 L CB 0.206 41.854 42.059 -0.686 0.000 1.107 130 L HN 0.086 nan 8.230 nan 0.000 0.487 131 D N 0.965 121.085 120.400 -0.466 0.000 2.149 131 D HA -0.135 4.509 4.640 0.006 0.000 0.198 131 D C 1.939 177.963 176.300 -0.461 0.000 0.990 131 D CA 1.243 55.029 54.000 -0.358 0.000 0.839 131 D CB 0.038 40.668 40.800 -0.284 0.000 0.948 131 D HN 0.508 nan 8.370 nan 0.000 0.460 132 V N -1.390 118.101 119.914 -0.706 0.000 3.305 132 V HA -0.128 3.996 4.120 0.006 0.000 0.269 132 V C 0.988 176.488 176.094 -0.990 0.000 1.157 132 V CA 0.949 62.793 62.300 -0.760 0.000 1.157 132 V CB -1.139 30.192 31.823 -0.821 0.000 0.772 132 V HN 0.070 nan 8.190 nan 0.000 0.498 133 Y N 0.014 119.764 120.300 -0.917 0.000 2.555 133 Y HA 0.441 4.995 4.550 0.006 0.000 0.259 133 Y C 0.864 176.140 175.900 -1.040 0.000 1.179 133 Y CA -1.962 55.240 58.100 -1.495 0.000 1.230 133 Y CB -0.658 37.312 38.460 -0.816 0.000 1.146 133 Y HN 0.236 nan 8.280 nan 0.000 0.526 134 D N 0.928 121.008 120.400 -0.533 0.000 2.389 134 D HA 0.029 4.673 4.640 0.006 0.000 0.263 134 D C 1.370 177.343 176.300 -0.544 0.000 1.255 134 D CA 0.528 54.297 54.000 -0.384 0.000 0.914 134 D CB 1.224 41.946 40.800 -0.129 0.000 1.116 134 D HN 0.463 nan 8.370 nan 0.000 0.502 135 G N 3.912 111.794 108.800 -1.529 0.000 2.985 135 G HA2 -0.143 3.821 3.960 0.006 0.000 0.209 135 G HA3 -0.143 3.821 3.960 0.006 0.000 0.209 135 G C 1.481 175.819 174.900 -0.935 0.000 1.165 135 G CA 0.176 44.566 45.100 -1.183 0.000 0.776 135 G HN 0.620 nan 8.290 nan 0.000 0.541 136 R N -0.643 119.266 120.500 -0.985 0.000 2.120 136 R HA -0.013 4.331 4.340 0.006 0.000 0.234 136 R C 1.651 177.698 176.300 -0.422 0.000 1.123 136 R CA 1.275 57.041 56.100 -0.557 0.000 0.975 136 R CB -0.651 29.324 30.300 -0.542 0.000 0.866 136 R HN 0.308 nan 8.270 nan 0.000 0.446 137 F N 1.358 121.229 119.950 -0.132 0.000 2.163 137 F HA 0.074 4.605 4.527 0.007 0.000 0.297 137 F C 2.231 177.983 175.800 -0.080 0.000 1.094 137 F CA 0.693 58.640 58.000 -0.088 0.000 1.290 137 F CB -0.487 38.451 39.000 -0.103 0.000 1.017 137 F HN -0.128 nan 8.300 nan 0.000 0.483 138 L N -0.287 120.976 121.223 0.068 0.000 2.141 138 L HA -0.155 4.189 4.340 0.006 0.000 0.209 138 L C 2.638 179.523 176.870 0.024 0.000 1.094 138 L CA 0.993 55.833 54.840 0.000 0.000 0.763 138 L CB -0.782 41.228 42.059 -0.081 0.000 0.908 138 L HN 0.177 nan 8.230 nan 0.000 0.437 139 A N -1.029 121.810 122.820 0.031 0.000 1.873 139 A HA -0.210 4.114 4.320 0.006 0.000 0.215 139 A C 2.276 179.908 177.584 0.080 0.000 1.186 139 A CA 1.324 53.414 52.037 0.089 0.000 0.616 139 A CB -0.392 18.702 19.000 0.156 0.000 0.823 139 A HN 0.348 nan 8.150 nan 0.000 0.442 140 Q N -0.174 119.658 119.800 0.054 0.000 2.062 140 Q HA -0.040 4.304 4.340 0.006 0.000 0.196 140 Q C 2.149 178.185 176.000 0.060 0.000 0.967 140 Q CA 1.828 57.667 55.803 0.060 0.000 0.832 140 Q CB -0.196 28.563 28.738 0.035 0.000 0.899 140 Q HN 0.393 nan 8.270 nan 0.000 0.442 141 V N 1.207 121.157 119.914 0.060 0.000 2.446 141 V HA -0.091 4.033 4.120 0.006 0.000 0.244 141 V C 1.685 177.797 176.094 0.030 0.000 1.039 141 V CA 1.425 63.752 62.300 0.046 0.000 1.045 141 V CB -0.085 31.765 31.823 0.045 0.000 0.681 141 V HN 0.221 nan 8.190 nan 0.000 0.459 142 E N -0.234 119.983 120.200 0.028 0.000 2.481 142 E HA 0.197 4.551 4.350 0.006 0.000 0.198 142 E C 1.681 178.300 176.600 0.032 0.000 1.027 142 E CA 0.690 57.102 56.400 0.019 0.000 0.900 142 E CB 0.505 30.208 29.700 0.004 0.000 0.993 142 E HN 0.568 nan 8.360 nan 0.000 0.482 143 G N 1.869 110.699 108.800 0.049 0.000 2.225 143 G HA2 -0.322 3.642 3.960 0.006 0.000 0.267 143 G HA3 -0.322 3.642 3.960 0.006 0.000 0.267 143 G C 0.518 175.461 174.900 0.072 0.000 1.024 143 G CA 0.481 45.619 45.100 0.064 0.000 0.784 143 G HN 0.467 nan 8.290 nan 0.000 0.507 144 A N -0.972 121.890 122.820 0.071 0.000 2.351 144 A HA 0.712 5.036 4.320 0.006 0.000 0.257 144 A C 0.502 178.163 177.584 0.128 0.000 1.087 144 A CA 0.047 52.131 52.037 0.078 0.000 0.798 144 A CB 1.209 20.238 19.000 0.048 0.000 1.033 144 A HN 1.090 nan 8.150 nan 0.000 0.488 145 V N 2.599 122.596 119.914 0.138 0.000 2.383 145 V HA 0.375 4.499 4.120 0.006 0.000 0.275 145 V C -0.128 176.095 176.094 0.214 0.000 1.036 145 V CA -0.066 62.344 62.300 0.184 0.000 0.889 145 V CB 0.753 32.674 31.823 0.164 0.000 0.985 145 V HN 0.712 nan 8.190 nan 0.000 0.459 146 L N 6.138 127.542 121.223 0.302 0.000 2.362 146 L HA 0.771 5.115 4.340 0.006 0.000 0.275 146 L C -1.022 176.139 176.870 0.484 0.000 0.998 146 L CA -0.371 54.702 54.840 0.387 0.000 0.820 146 L CB 2.012 44.296 42.059 0.375 0.000 1.270 146 L HN 0.427 nan 8.230 nan 0.000 0.415 147 V N 2.994 123.171 119.914 0.440 0.000 2.638 147 V HA 0.636 4.760 4.120 0.006 0.000 0.306 147 V C -0.538 175.801 176.094 0.409 0.000 1.052 147 V CA -0.469 62.045 62.300 0.358 0.000 0.885 147 V CB 2.008 33.966 31.823 0.224 0.000 0.999 147 V HN 0.832 nan 8.190 nan 0.000 0.424 148 S N 5.504 121.449 115.700 0.409 0.000 2.536 148 S HA 0.892 5.366 4.470 0.006 0.000 0.287 148 S C -0.767 173.982 174.600 0.249 0.000 1.101 148 S CA -0.814 57.624 58.200 0.396 0.000 0.950 148 S CB 2.269 65.831 63.200 0.604 0.000 1.056 148 S HN 0.856 nan 8.310 nan 0.000 0.481 149 M N 1.448 121.154 119.600 0.177 0.000 2.535 149 M HA 0.632 5.116 4.480 0.006 0.000 0.314 149 M C -1.690 174.817 176.300 0.345 0.000 1.153 149 M CA -0.552 54.841 55.300 0.155 0.000 0.924 149 M CB 1.231 33.751 32.600 -0.134 0.000 1.710 149 M HN 0.535 nan 8.290 nan 0.000 0.451 150 N N 2.927 121.895 118.700 0.446 0.000 2.529 150 N HA 0.546 5.290 4.740 0.006 0.000 0.278 150 N C -1.383 174.403 175.510 0.460 0.000 1.146 150 N CA 0.127 53.458 53.050 0.469 0.000 0.980 150 N CB 0.520 39.214 38.487 0.344 0.000 1.124 150 N HN 0.714 nan 8.380 nan 0.000 0.458 151 Y N -1.790 118.674 120.300 0.273 0.000 2.524 151 Y HA 0.557 5.111 4.550 0.006 0.000 0.347 151 Y C -0.044 175.982 175.900 0.211 0.000 1.005 151 Y CA -1.348 56.867 58.100 0.192 0.000 1.025 151 Y CB 0.909 39.419 38.460 0.084 0.000 1.275 151 Y HN 0.208 nan 8.280 nan 0.000 0.460 152 R N 2.080 122.702 120.500 0.203 0.000 2.522 152 R HA 0.414 4.758 4.340 0.006 0.000 0.284 152 R C -0.130 176.309 176.300 0.231 0.000 1.032 152 R CA 0.028 56.210 56.100 0.137 0.000 1.049 152 R CB 0.559 30.913 30.300 0.090 0.000 0.956 152 R HN 0.721 nan 8.270 nan 0.000 0.422 153 V N 0.134 120.213 119.914 0.276 0.000 3.204 153 V HA 0.867 4.991 4.120 0.006 0.000 0.316 153 V C 0.900 177.310 176.094 0.526 0.000 1.160 153 V CA -0.132 62.441 62.300 0.455 0.000 1.044 153 V CB 1.096 33.075 31.823 0.260 0.000 1.136 153 V HN 0.960 nan 8.190 nan 0.000 0.455 154 G N 1.549 110.689 108.800 0.567 0.000 2.582 154 G HA2 -0.324 3.639 3.960 0.006 0.000 0.288 154 G HA3 -0.324 3.639 3.960 0.006 0.000 0.288 154 G C 1.047 176.103 174.900 0.260 0.000 1.247 154 G CA 1.735 47.109 45.100 0.456 0.000 0.972 154 G HN 2.294 nan 8.290 nan 0.000 0.557 155 T N -1.743 112.686 114.554 -0.209 0.000 2.746 155 T HA -0.032 4.322 4.350 0.006 0.000 0.267 155 T C 2.172 176.762 174.700 -0.183 0.000 1.039 155 T CA 2.483 64.234 62.100 -0.582 0.000 1.142 155 T CB -0.418 67.939 68.868 -0.851 0.000 0.866 155 T HN 0.567 nan 8.240 nan 0.000 0.444 156 F N 2.269 122.275 119.950 0.092 0.000 2.202 156 F HA 0.187 4.717 4.527 0.006 0.000 0.301 156 F C 2.679 178.477 175.800 -0.003 0.000 1.082 156 F CA 0.883 58.887 58.000 0.007 0.000 1.313 156 F CB -0.869 38.105 39.000 -0.044 0.000 1.024 156 F HN 0.399 nan 8.300 nan 0.000 0.495 157 G N -2.431 106.454 108.800 0.142 0.000 2.833 157 G HA2 0.086 4.050 3.960 0.006 0.000 0.210 157 G HA3 0.086 4.050 3.960 0.006 0.000 0.210 157 G C 0.795 175.229 174.900 -0.776 0.000 1.139 157 G CA 0.152 45.093 45.100 -0.265 0.000 0.771 157 G HN 0.356 nan 8.290 nan 0.000 0.535 158 F N -0.669 119.371 119.950 0.151 0.000 2.974 158 F HA 0.410 4.941 4.527 0.007 0.000 0.357 158 F C 0.380 176.273 175.800 0.155 0.000 1.114 158 F CA -0.924 57.151 58.000 0.125 0.000 1.099 158 F CB 0.357 39.437 39.000 0.133 0.000 1.205 158 F HN -0.081 nan 8.300 nan 0.000 0.535 159 L N 2.239 123.534 121.223 0.121 0.000 2.455 159 L HA 0.575 4.919 4.340 0.006 0.000 0.272 159 L C -0.073 176.796 176.870 -0.003 0.000 1.174 159 L CA 0.022 54.857 54.840 -0.009 0.000 0.869 159 L CB 0.554 42.332 42.059 -0.469 0.000 1.130 159 L HN 0.124 nan 8.230 nan 0.000 0.474 160 A N 6.322 129.180 122.820 0.063 0.000 2.398 160 A HA 0.626 4.950 4.320 0.006 0.000 0.301 160 A C -1.088 176.490 177.584 -0.009 0.000 1.041 160 A CA -0.590 51.456 52.037 0.015 0.000 0.711 160 A CB 1.266 20.301 19.000 0.059 0.000 1.240 160 A HN 0.718 nan 8.150 nan 0.000 0.420 161 L N 3.507 124.705 121.223 -0.042 0.000 2.360 161 L HA 0.315 4.659 4.340 0.006 0.000 0.265 161 L C -2.381 174.484 176.870 -0.010 0.000 1.066 161 L CA -1.830 52.993 54.840 -0.029 0.000 0.929 161 L CB 1.231 43.260 42.059 -0.050 0.000 1.306 161 L HN 0.406 nan 8.230 nan 0.000 0.434 162 P HA 0.031 nan 4.420 nan 0.000 0.262 162 P C 0.982 178.287 177.300 0.008 0.000 1.182 162 P CA 0.849 63.955 63.100 0.010 0.000 0.761 162 P CB 0.898 32.605 31.700 0.011 0.000 0.795 163 G N 1.925 110.733 108.800 0.014 0.000 2.258 163 G HA2 -0.251 3.712 3.960 0.006 0.000 0.233 163 G HA3 -0.251 3.712 3.960 0.006 0.000 0.233 163 G C 0.496 175.404 174.900 0.012 0.000 1.006 163 G CA 0.238 45.346 45.100 0.013 0.000 0.620 163 G HN 0.817 nan 8.290 nan 0.000 0.511 164 S N -0.022 115.682 115.700 0.008 0.000 2.600 164 S HA 0.557 5.030 4.470 0.006 0.000 0.265 164 S C 1.244 175.854 174.600 0.016 0.000 1.325 164 S CA 0.643 58.847 58.200 0.007 0.000 1.002 164 S CB 1.765 64.962 63.200 -0.005 0.000 0.921 164 S HN 0.506 nan 8.310 nan 0.000 0.554 165 R N 0.018 120.530 120.500 0.019 0.000 2.156 165 R HA 0.085 4.429 4.340 0.006 0.000 0.207 165 R C 1.065 177.387 176.300 0.037 0.000 1.040 165 R CA 0.878 56.995 56.100 0.028 0.000 1.013 165 R CB -0.151 30.165 30.300 0.026 0.000 0.931 165 R HN 0.804 nan 8.270 nan 0.000 0.465 166 E N -0.612 119.609 120.200 0.035 0.000 2.474 166 E HA 0.141 4.495 4.350 0.006 0.000 0.194 166 E C -0.270 176.372 176.600 0.071 0.000 1.041 166 E CA 0.405 56.840 56.400 0.057 0.000 0.874 166 E CB 1.324 31.056 29.700 0.053 0.000 0.914 166 E HN 0.237 nan 8.360 nan 0.000 0.498 167 A N 0.967 123.804 122.820 0.028 0.000 3.399 167 A HA 0.242 4.566 4.320 0.006 0.000 0.262 167 A C -2.159 175.427 177.584 0.004 0.000 1.145 167 A CA -0.805 51.234 52.037 0.004 0.000 0.916 167 A CB 0.410 19.326 19.000 -0.140 0.000 1.360 167 A HN -0.080 nan 8.150 nan 0.000 0.628 168 P HA 0.103 nan 4.420 nan 0.000 0.221 168 P C 0.963 178.282 177.300 0.033 0.000 1.150 168 P CA 2.003 65.123 63.100 0.033 0.000 0.800 168 P CB 0.181 31.909 31.700 0.046 0.000 0.787 169 G N 0.302 109.119 108.800 0.028 0.000 2.663 169 G HA2 -0.157 3.807 3.960 0.006 0.000 0.686 169 G HA3 -0.157 3.807 3.960 0.006 0.000 0.686 169 G C -0.121 174.775 174.900 -0.006 0.000 1.288 169 G CA -0.282 44.836 45.100 0.031 0.000 0.836 169 G HN 0.116 nan 8.290 nan 0.000 0.584 170 N N -2.325 116.367 118.700 -0.012 0.000 2.732 170 N HA -0.292 4.452 4.740 0.006 0.000 0.250 170 N C 1.967 177.315 175.510 -0.270 0.000 1.097 170 N CA 2.454 55.430 53.050 -0.124 0.000 0.812 170 N CB -1.612 36.742 38.487 -0.220 0.000 1.148 170 N HN 1.919 nan 8.380 nan 0.000 0.572 171 V N -2.605 117.160 119.914 -0.247 0.000 2.594 171 V HA -0.037 4.087 4.120 0.006 0.000 0.253 171 V C 2.330 178.280 176.094 -0.240 0.000 1.069 171 V CA 2.316 64.515 62.300 -0.170 0.000 1.082 171 V CB -0.955 30.822 31.823 -0.076 0.000 0.680 171 V HN 0.281 nan 8.190 nan 0.000 0.469 172 G N 0.491 108.932 108.800 -0.598 0.000 2.422 172 G HA2 -0.160 3.804 3.960 0.006 0.000 0.218 172 G HA3 -0.160 3.804 3.960 0.006 0.000 0.218 172 G C 1.549 176.396 174.900 -0.089 0.000 1.146 172 G CA 1.198 46.047 45.100 -0.418 0.000 0.769 172 G HN 0.541 nan 8.290 nan 0.000 0.547 173 L N -0.152 120.967 121.223 -0.173 0.000 2.093 173 L HA 0.057 4.401 4.340 0.006 0.000 0.208 173 L C 2.850 179.720 176.870 0.001 0.000 1.085 173 L CA 0.374 55.091 54.840 -0.206 0.000 0.755 173 L CB -0.310 41.300 42.059 -0.747 0.000 0.904 173 L HN 0.190 nan 8.230 nan 0.000 0.435 174 L N -0.556 120.673 121.223 0.011 0.000 2.083 174 L HA -0.217 4.127 4.340 0.006 0.000 0.209 174 L C 2.209 179.189 176.870 0.184 0.000 1.083 174 L CA 0.917 55.861 54.840 0.172 0.000 0.752 174 L CB -0.636 41.501 42.059 0.130 0.000 0.899 174 L HN 0.281 nan 8.230 nan 0.000 0.433 175 D N 0.009 120.504 120.400 0.159 0.000 2.104 175 D HA -0.215 4.428 4.640 0.006 0.000 0.194 175 D C 2.280 178.736 176.300 0.261 0.000 0.994 175 D CA 1.243 55.411 54.000 0.282 0.000 0.830 175 D CB -0.236 40.742 40.800 0.296 0.000 0.959 175 D HN 0.398 nan 8.370 nan 0.000 0.452 176 Q N 0.087 119.969 119.800 0.137 0.000 2.061 176 Q HA -0.171 4.173 4.340 0.006 0.000 0.204 176 Q C 2.317 178.318 176.000 0.002 0.000 0.984 176 Q CA 1.253 57.066 55.803 0.017 0.000 0.846 176 Q CB -0.125 28.622 28.738 0.015 0.000 0.902 176 Q HN 0.220 nan 8.270 nan 0.000 0.421 177 R N 0.590 121.184 120.500 0.157 0.000 2.081 177 R HA -0.171 4.173 4.340 0.006 0.000 0.235 177 R C 2.234 178.587 176.300 0.089 0.000 1.131 177 R CA 1.001 57.174 56.100 0.121 0.000 0.960 177 R CB -0.250 30.224 30.300 0.291 0.000 0.856 177 R HN 0.228 nan 8.270 nan 0.000 0.436 178 L N 0.892 122.205 121.223 0.149 0.000 2.042 178 L HA -0.072 4.272 4.340 0.006 0.000 0.210 178 L C 2.237 179.174 176.870 0.112 0.000 1.076 178 L CA 2.171 57.128 54.840 0.196 0.000 0.749 178 L CB -0.776 41.482 42.059 0.333 0.000 0.893 178 L HN 0.274 nan 8.230 nan 0.000 0.432 179 A N -0.675 122.038 122.820 -0.178 0.000 1.930 179 A HA -0.117 4.207 4.320 0.006 0.000 0.217 179 A C 2.234 179.771 177.584 -0.079 0.000 1.175 179 A CA 1.666 53.421 52.037 -0.471 0.000 0.627 179 A CB -0.754 17.676 19.000 -0.950 0.000 0.815 179 A HN 0.504 nan 8.150 nan 0.000 0.443 180 L N -0.856 120.330 121.223 -0.062 0.000 2.083 180 L HA -0.262 4.082 4.340 0.006 0.000 0.209 180 L C 2.837 179.756 176.870 0.081 0.000 1.083 180 L CA 1.648 56.488 54.840 -0.001 0.000 0.752 180 L CB -0.789 41.227 42.059 -0.073 0.000 0.899 180 L HN 0.521 nan 8.230 nan 0.000 0.433 181 Q N -1.127 118.732 119.800 0.098 0.000 2.079 181 Q HA -0.248 4.096 4.340 0.006 0.000 0.200 181 Q C 2.049 178.142 176.000 0.155 0.000 0.974 181 Q CA 1.796 57.666 55.803 0.112 0.000 0.840 181 Q CB -0.284 28.522 28.738 0.114 0.000 0.898 181 Q HN 0.536 nan 8.270 nan 0.000 0.430 182 W N 0.779 122.093 121.300 0.023 0.000 2.325 182 W HA -0.242 4.421 4.660 0.006 0.000 0.299 182 W C 1.821 178.370 176.519 0.049 0.000 1.215 182 W CA 1.369 58.745 57.345 0.051 0.000 1.244 182 W CB -0.005 29.485 29.460 0.050 0.000 1.140 182 W HN -0.139 nan 8.180 nan 0.000 0.523 183 V N 0.627 120.768 119.914 0.379 0.000 2.358 183 V HA -0.311 3.813 4.120 0.006 0.000 0.246 183 V C 2.509 178.641 176.094 0.064 0.000 1.047 183 V CA 1.913 64.368 62.300 0.259 0.000 1.035 183 V CB -0.933 31.040 31.823 0.249 0.000 0.658 183 V HN 0.188 nan 8.190 nan 0.000 0.452 184 Q N -0.082 119.752 119.800 0.057 0.000 2.096 184 Q HA -0.262 4.082 4.340 0.006 0.000 0.204 184 Q C 2.258 178.232 176.000 -0.043 0.000 0.982 184 Q CA 2.122 57.938 55.803 0.022 0.000 0.850 184 Q CB -0.223 28.532 28.738 0.028 0.000 0.901 184 Q HN 0.811 nan 8.270 nan 0.000 0.422 185 E N -0.170 119.968 120.200 -0.105 0.000 2.112 185 E HA -0.083 4.271 4.350 0.006 0.000 0.190 185 E C 1.213 177.660 176.600 -0.254 0.000 0.979 185 E CA 0.814 57.115 56.400 -0.166 0.000 0.814 185 E CB 0.300 29.893 29.700 -0.178 0.000 0.762 185 E HN 0.275 nan 8.360 nan 0.000 0.460 186 N N -0.199 118.255 118.700 -0.410 0.000 2.317 186 N HA -0.006 4.738 4.740 0.006 0.000 0.199 186 N C 1.438 176.830 175.510 -0.196 0.000 1.145 186 N CA 0.049 52.798 53.050 -0.501 0.000 0.882 186 N CB 0.321 38.084 38.487 -1.207 0.000 1.113 186 N HN 0.133 nan 8.380 nan 0.000 0.486 187 I N 2.478 123.006 120.570 -0.069 0.000 2.454 187 I HA -0.089 4.085 4.170 0.006 0.000 0.254 187 I C 2.122 178.353 176.117 0.190 0.000 1.156 187 I CA 0.464 61.867 61.300 0.172 0.000 1.433 187 I CB -0.358 37.732 38.000 0.151 0.000 1.082 187 I HN 0.046 nan 8.210 nan 0.000 0.432 188 A N 0.269 123.120 122.820 0.052 0.000 2.019 188 A HA -0.112 4.212 4.320 0.006 0.000 0.219 188 A C 2.449 180.020 177.584 -0.022 0.000 1.164 188 A CA 1.521 53.570 52.037 0.019 0.000 0.644 188 A CB -1.041 17.945 19.000 -0.024 0.000 0.805 188 A HN 0.466 nan 8.150 nan 0.000 0.449 189 A N -1.706 121.052 122.820 -0.103 0.000 2.125 189 A HA 0.123 4.447 4.320 0.006 0.000 0.219 189 A C 1.485 178.799 177.584 -0.449 0.000 1.156 189 A CA 1.129 52.975 52.037 -0.318 0.000 0.671 189 A CB -0.607 18.095 19.000 -0.497 0.000 0.794 189 A HN 0.511 nan 8.150 nan 0.000 0.459 190 F N -1.809 118.097 119.950 -0.073 0.000 2.678 190 F HA 0.396 4.927 4.527 0.007 0.000 0.305 190 F C 1.711 177.520 175.800 0.015 0.000 1.090 190 F CA 0.503 58.479 58.000 -0.040 0.000 1.272 190 F CB 0.486 39.473 39.000 -0.021 0.000 1.060 190 F HN 0.299 nan 8.300 nan 0.000 0.576 191 G N 0.408 109.295 108.800 0.144 0.000 2.144 191 G HA2 -0.135 3.828 3.960 0.006 0.000 0.218 191 G HA3 -0.135 3.828 3.960 0.006 0.000 0.218 191 G C 0.519 175.487 174.900 0.114 0.000 0.988 191 G CA -0.361 44.800 45.100 0.101 0.000 0.659 191 G HN 0.688 nan 8.290 nan 0.000 0.522 192 G N -0.400 108.488 108.800 0.148 0.000 2.420 192 G HA2 0.485 4.449 3.960 0.006 0.000 0.284 192 G HA3 0.485 4.449 3.960 0.006 0.000 0.284 192 G C -0.731 174.219 174.900 0.084 0.000 1.177 192 G CA 0.210 45.386 45.100 0.127 0.000 0.841 192 G HN 0.213 nan 8.290 nan 0.000 0.527 193 D N 1.778 122.218 120.400 0.067 0.000 2.396 193 D HA 0.327 4.971 4.640 0.006 0.000 0.225 193 D C -1.490 174.844 176.300 0.056 0.000 1.121 193 D CA -2.373 51.649 54.000 0.037 0.000 0.853 193 D CB 1.900 42.704 40.800 0.006 0.000 1.043 193 D HN -0.010 nan 8.370 nan 0.000 0.500 194 P HA -0.032 nan 4.420 nan 0.000 0.225 194 P C 1.164 178.566 177.300 0.170 0.000 1.148 194 P CA 0.914 64.076 63.100 0.103 0.000 0.779 194 P CB 0.097 31.835 31.700 0.063 0.000 0.780 195 M N -2.151 117.479 119.600 0.051 0.000 2.495 195 M HA 0.118 4.602 4.480 0.006 0.000 0.237 195 M C 0.606 176.578 176.300 -0.547 0.000 1.131 195 M CA 0.599 55.841 55.300 -0.097 0.000 1.032 195 M CB 0.152 32.690 32.600 -0.104 0.000 1.513 195 M HN -0.183 nan 8.290 nan 0.000 0.488 196 S N 1.312 116.875 115.700 -0.229 0.000 2.216 196 S HA 0.423 4.897 4.470 0.006 0.000 0.156 196 S C -0.924 173.730 174.600 0.090 0.000 1.665 196 S CA -0.442 57.631 58.200 -0.212 0.000 1.262 196 S CB 0.414 63.528 63.200 -0.143 0.000 1.207 196 S HN 0.032 nan 8.310 nan 0.000 0.427 197 V N 3.658 123.826 119.914 0.424 0.000 2.384 197 V HA 0.534 4.658 4.120 0.006 0.000 0.287 197 V C 0.050 176.331 176.094 0.312 0.000 1.020 197 V CA -0.428 62.074 62.300 0.337 0.000 0.850 197 V CB 1.819 33.825 31.823 0.305 0.000 0.987 197 V HN 0.673 nan 8.190 nan 0.000 0.436 198 T N 6.639 121.322 114.554 0.214 0.000 2.791 198 T HA 0.555 4.908 4.350 0.006 0.000 0.288 198 T C -0.193 174.653 174.700 0.243 0.000 0.999 198 T CA -0.332 61.893 62.100 0.208 0.000 0.952 198 T CB 0.727 69.663 68.868 0.113 0.000 0.938 198 T HN 0.346 nan 8.240 nan 0.000 0.444 199 L N 5.033 126.379 121.223 0.205 0.000 2.380 199 L HA 0.626 4.970 4.340 0.006 0.000 0.273 199 L C -0.337 176.751 176.870 0.362 0.000 1.138 199 L CA -0.643 54.297 54.840 0.167 0.000 0.832 199 L CB 0.167 42.136 42.059 -0.151 0.000 1.124 199 L HN 0.619 nan 8.230 nan 0.000 0.454 200 F N 0.563 120.575 119.950 0.103 0.000 2.619 200 F HA 0.938 5.468 4.527 0.006 0.000 0.308 200 F C -0.355 175.405 175.800 -0.067 0.000 1.097 200 F CA -1.425 56.675 58.000 0.167 0.000 0.953 200 F CB 1.506 40.753 39.000 0.412 0.000 1.287 200 F HN 0.468 nan 8.300 nan 0.000 0.446 201 G N 1.295 109.914 108.800 -0.303 0.000 2.646 201 G HA2 0.505 4.469 3.960 0.006 0.000 0.291 201 G HA3 0.505 4.469 3.960 0.006 0.000 0.291 201 G C -2.525 172.134 174.900 -0.402 0.000 1.445 201 G CA -0.788 43.714 45.100 -0.998 0.000 0.814 201 G HN 0.874 nan 8.290 nan 0.000 0.495 202 E N 0.219 120.162 120.200 -0.429 0.000 2.288 202 E HA 0.642 4.996 4.350 0.006 0.000 0.268 202 E C 0.664 177.195 176.600 -0.116 0.000 0.885 202 E CA 0.235 56.611 56.400 -0.039 0.000 0.767 202 E CB 2.214 32.039 29.700 0.209 0.000 1.220 202 E HN 0.801 nan 8.360 nan 0.000 0.427 203 S N 2.365 118.063 115.700 -0.003 0.000 4.139 203 S HA -0.390 4.083 4.470 0.006 0.000 0.603 203 S C 1.424 176.080 174.600 0.093 0.000 1.897 203 S CA 2.148 60.401 58.200 0.088 0.000 4.241 203 S CB -1.616 61.546 63.200 -0.063 0.000 0.221 203 S HN 0.942 nan 8.310 nan 0.000 0.488 204 A N 1.043 123.748 122.820 -0.192 0.000 2.015 204 A HA 0.239 4.563 4.320 0.006 0.000 0.219 204 A C 2.394 179.702 177.584 -0.460 0.000 1.163 204 A CA 2.177 53.941 52.037 -0.456 0.000 0.646 204 A CB -1.423 16.830 19.000 -1.245 0.000 0.806 204 A HN 1.460 nan 8.150 nan 0.000 0.448 205 G N -0.364 108.204 108.800 -0.387 0.000 2.402 205 G HA2 0.032 3.995 3.960 0.006 0.000 0.216 205 G HA3 0.032 3.995 3.960 0.006 0.000 0.216 205 G C 1.744 176.446 174.900 -0.330 0.000 1.162 205 G CA 1.254 46.081 45.100 -0.456 0.000 0.777 205 G HN 0.728 nan 8.290 nan 0.000 0.539 206 A N 1.284 123.983 122.820 -0.201 0.000 1.902 206 A HA 0.226 4.550 4.320 0.006 0.000 0.217 206 A C 2.820 180.369 177.584 -0.059 0.000 1.181 206 A CA 2.348 54.334 52.037 -0.084 0.000 0.623 206 A CB -0.845 18.170 19.000 0.025 0.000 0.818 206 A HN 0.806 nan 8.150 nan 0.000 0.443 207 A N -0.639 122.172 122.820 -0.015 0.000 1.933 207 A HA -0.069 4.255 4.320 0.006 0.000 0.218 207 A C 2.435 180.000 177.584 -0.033 0.000 1.175 207 A CA 2.063 54.084 52.037 -0.027 0.000 0.628 207 A CB -0.837 18.174 19.000 0.018 0.000 0.814 207 A HN 0.454 nan 8.150 nan 0.000 0.444 208 S N -0.439 115.231 115.700 -0.051 0.000 2.356 208 S HA -0.143 4.331 4.470 0.006 0.000 0.223 208 S C 1.912 176.414 174.600 -0.163 0.000 1.032 208 S CA 1.443 59.565 58.200 -0.129 0.000 1.005 208 S CB -0.524 62.536 63.200 -0.233 0.000 0.867 208 S HN 0.353 nan 8.310 nan 0.000 0.449 209 V N 1.718 121.565 119.914 -0.112 0.000 2.287 209 V HA -0.195 3.929 4.120 0.006 0.000 0.248 209 V C 2.628 178.675 176.094 -0.078 0.000 1.053 209 V CA 2.016 64.267 62.300 -0.081 0.000 1.027 209 V CB -1.517 30.244 31.823 -0.104 0.000 0.646 209 V HN 0.606 nan 8.190 nan 0.000 0.447 210 G N -1.063 107.694 108.800 -0.072 0.000 2.450 210 G HA2 -0.282 3.681 3.960 0.006 0.000 0.220 210 G HA3 -0.282 3.681 3.960 0.006 0.000 0.220 210 G C 1.599 176.485 174.900 -0.024 0.000 1.130 210 G CA 1.102 46.169 45.100 -0.055 0.000 0.760 210 G HN 0.466 nan 8.290 nan 0.000 0.557 211 M N -0.414 119.151 119.600 -0.058 0.000 2.349 211 M HA 0.093 4.576 4.480 0.006 0.000 0.266 211 M C 2.258 178.599 176.300 0.069 0.000 1.076 211 M CA 0.600 55.903 55.300 0.005 0.000 1.126 211 M CB -0.100 32.485 32.600 -0.025 0.000 1.392 211 M HN 0.182 nan 8.290 nan 0.000 0.440 212 H N 0.180 119.324 119.070 0.123 0.000 2.389 212 H HA -0.031 4.529 4.556 0.006 0.000 0.299 212 H C 2.128 177.596 175.328 0.234 0.000 1.081 212 H CA 1.462 57.576 56.048 0.110 0.000 1.345 212 H CB -0.372 29.314 29.762 -0.128 0.000 1.393 212 H HN 0.391 nan 8.280 nan 0.000 0.520 213 I N 0.755 121.520 120.570 0.325 0.000 2.264 213 I HA -0.262 3.912 4.170 0.006 0.000 0.248 213 I C 1.987 178.280 176.117 0.295 0.000 1.111 213 I CA 1.175 62.727 61.300 0.421 0.000 1.382 213 I CB -0.172 37.973 38.000 0.242 0.000 1.060 213 I HN 0.136 nan 8.210 nan 0.000 0.418 214 L N -0.742 120.597 121.223 0.193 0.000 2.591 214 L HA 0.072 4.416 4.340 0.006 0.000 0.228 214 L C 0.974 177.889 176.870 0.074 0.000 1.133 214 L CA 0.051 54.986 54.840 0.158 0.000 0.880 214 L CB -0.027 42.103 42.059 0.118 0.000 1.033 214 L HN 0.044 nan 8.230 nan 0.000 0.450 215 S N -0.169 115.545 115.700 0.023 0.000 2.474 215 S HA 0.224 4.698 4.470 0.006 0.000 0.321 215 S C 0.640 175.172 174.600 -0.114 0.000 1.080 215 S CA -0.641 57.456 58.200 -0.171 0.000 1.106 215 S CB 1.461 64.282 63.200 -0.630 0.000 0.984 215 S HN 0.129 nan 8.310 nan 0.000 0.464 216 L N 7.710 128.869 121.223 -0.107 0.000 2.013 216 L HA 0.099 4.442 4.340 0.006 0.000 0.212 216 L C -1.117 175.710 176.870 -0.072 0.000 1.073 216 L CA 2.208 57.006 54.840 -0.070 0.000 0.753 216 L CB -1.347 40.673 42.059 -0.066 0.000 0.890 216 L HN 0.494 nan 8.230 nan 0.000 0.432 217 P HA -0.079 nan 4.420 nan 0.000 0.223 217 P C 1.454 178.740 177.300 -0.023 0.000 1.144 217 P CA 1.339 64.398 63.100 -0.068 0.000 0.783 217 P CB -0.013 31.632 31.700 -0.091 0.000 0.771 218 S N -1.253 114.453 115.700 0.010 0.000 2.503 218 S HA 0.023 4.497 4.470 0.006 0.000 0.217 218 S C 1.863 176.543 174.600 0.132 0.000 0.999 218 S CA -0.079 58.213 58.200 0.153 0.000 0.914 218 S CB -0.395 63.011 63.200 0.343 0.000 0.782 218 S HN 0.161 nan 8.310 nan 0.000 0.520 219 R N 2.336 122.828 120.500 -0.013 0.000 2.113 219 R HA -0.162 4.182 4.340 0.006 0.000 0.244 219 R C 1.952 178.047 176.300 -0.342 0.000 1.142 219 R CA 2.191 58.154 56.100 -0.228 0.000 0.953 219 R CB -0.559 29.652 30.300 -0.147 0.000 0.860 219 R HN 0.467 nan 8.270 nan 0.000 0.438 220 S N -0.252 115.338 115.700 -0.183 0.000 2.607 220 S HA 0.034 4.508 4.470 0.006 0.000 0.224 220 S C 1.630 176.123 174.600 -0.178 0.000 0.969 220 S CA 0.366 58.461 58.200 -0.174 0.000 0.927 220 S CB 0.028 63.175 63.200 -0.088 0.000 0.772 220 S HN 0.409 nan 8.310 nan 0.000 0.533 221 L N 0.104 121.247 121.223 -0.132 0.000 2.616 221 L HA 0.464 4.808 4.340 0.006 0.000 0.229 221 L C 0.149 177.033 176.870 0.023 0.000 1.110 221 L CA -0.205 54.628 54.840 -0.012 0.000 0.884 221 L CB -0.039 42.069 42.059 0.082 0.000 1.115 221 L HN 0.535 nan 8.230 nan 0.000 0.481 222 F N -4.111 115.647 119.950 -0.320 0.000 2.741 222 F HA 0.459 4.989 4.527 0.006 0.000 0.313 222 F C 0.390 175.883 175.800 -0.510 0.000 1.153 222 F CA -0.983 56.810 58.000 -0.344 0.000 0.931 222 F CB 0.828 39.761 39.000 -0.111 0.000 1.335 222 F HN -0.152 nan 8.300 nan 0.000 0.460 223 H N -0.529 118.588 119.070 0.079 0.000 3.091 223 H HA 0.448 5.007 4.556 0.006 0.000 0.249 223 H C -0.127 175.235 175.328 0.057 0.000 0.985 223 H CA -0.036 55.983 56.048 -0.047 0.000 1.177 223 H CB 1.016 30.752 29.762 -0.043 0.000 1.456 223 H HN 0.426 nan 8.280 nan 0.000 0.467 224 R N 0.227 120.923 120.500 0.328 0.000 2.774 224 R HA 0.703 5.047 4.340 0.006 0.000 0.272 224 R C -1.456 175.081 176.300 0.395 0.000 1.000 224 R CA -0.670 55.584 56.100 0.256 0.000 0.906 224 R CB 2.957 33.199 30.300 -0.096 0.000 1.227 224 R HN 0.139 nan 8.270 nan 0.000 0.468 225 A N 1.393 124.468 122.820 0.426 0.000 2.422 225 A HA 0.647 4.971 4.320 0.006 0.000 0.302 225 A C -1.310 176.420 177.584 0.243 0.000 1.041 225 A CA -0.603 51.611 52.037 0.294 0.000 0.708 225 A CB 1.772 20.887 19.000 0.191 0.000 1.257 225 A HN 0.315 nan 8.150 nan 0.000 0.414 226 V N 2.535 122.555 119.914 0.177 0.000 2.448 226 V HA 0.496 4.620 4.120 0.006 0.000 0.295 226 V C -0.987 175.194 176.094 0.145 0.000 1.025 226 V CA -0.346 61.995 62.300 0.068 0.000 0.859 226 V CB 1.186 33.057 31.823 0.080 0.000 0.988 226 V HN 0.683 nan 8.190 nan 0.000 0.431 227 L N 5.360 126.643 121.223 0.099 0.000 2.324 227 L HA 0.486 4.830 4.340 0.006 0.000 0.274 227 L C 0.059 177.034 176.870 0.174 0.000 1.012 227 L CA 0.043 54.942 54.840 0.098 0.000 0.859 227 L CB 1.463 43.533 42.059 0.018 0.000 1.224 227 L HN 0.637 nan 8.230 nan 0.000 0.429 228 Q N 2.127 122.082 119.800 0.259 0.000 2.360 228 Q HA 0.438 4.781 4.340 0.006 0.000 0.254 228 Q C 0.143 176.276 176.000 0.221 0.000 0.975 228 Q CA -0.488 55.523 55.803 0.347 0.000 0.912 228 Q CB 1.061 30.095 28.738 0.492 0.000 1.212 228 Q HN 0.606 nan 8.270 nan 0.000 0.452 229 S N 0.913 116.729 115.700 0.193 0.000 3.682 229 S HA -0.145 4.329 4.470 0.006 0.000 0.354 229 S C 0.050 174.839 174.600 0.314 0.000 1.034 229 S CA 0.502 58.843 58.200 0.235 0.000 1.084 229 S CB -1.253 62.088 63.200 0.235 0.000 0.903 229 S HN 1.010 nan 8.310 nan 0.000 0.470 230 G N -0.361 108.577 108.800 0.230 0.000 2.616 230 G HA2 0.671 4.635 3.960 0.006 0.000 0.294 230 G HA3 0.671 4.635 3.960 0.006 0.000 0.294 230 G C -0.930 174.020 174.900 0.083 0.000 1.489 230 G CA 0.220 45.496 45.100 0.294 0.000 0.836 230 G HN 1.033 nan 8.290 nan 0.000 0.527 231 T N -1.220 113.309 114.554 -0.041 0.000 2.889 231 T HA 0.688 5.042 4.350 0.006 0.000 0.315 231 T C -2.568 171.960 174.700 -0.286 0.000 1.291 231 T CA -1.359 60.647 62.100 -0.158 0.000 1.028 231 T CB 2.726 71.490 68.868 -0.173 0.000 1.235 231 T HN 0.197 nan 8.240 nan 0.000 0.491 232 P HA -0.007 nan 4.420 nan 0.000 0.219 232 P C 0.475 177.608 177.300 -0.278 0.000 1.150 232 P CA 0.759 63.728 63.100 -0.219 0.000 0.814 232 P CB -0.044 31.581 31.700 -0.124 0.000 0.787 233 N N 0.255 118.805 118.700 -0.250 0.000 2.379 233 N HA 0.347 5.091 4.740 0.006 0.000 0.260 233 N C 0.705 175.997 175.510 -0.363 0.000 1.254 233 N CA 0.438 53.340 53.050 -0.245 0.000 0.958 233 N CB 0.328 38.716 38.487 -0.165 0.000 1.208 233 N HN 0.209 nan 8.380 nan 0.000 0.532 234 G N -0.745 107.862 108.800 -0.322 0.000 2.498 234 G HA2 -0.106 3.858 3.960 0.006 0.000 0.651 234 G HA3 -0.106 3.858 3.960 0.006 0.000 0.651 234 G C -2.417 172.235 174.900 -0.414 0.000 1.284 234 G CA -0.280 44.577 45.100 -0.404 0.000 0.950 234 G HN 0.518 nan 8.290 nan 0.000 0.511 235 P HA 0.181 nan 4.420 nan 0.000 0.240 235 P C 1.422 178.636 177.300 -0.143 0.000 1.190 235 P CA 1.781 64.722 63.100 -0.266 0.000 0.781 235 P CB -0.021 31.462 31.700 -0.361 0.000 0.931 236 W N -1.975 119.219 121.300 -0.176 0.000 2.835 236 W HA 0.562 5.225 4.660 0.005 0.000 0.278 236 W C 1.032 177.610 176.519 0.099 0.000 1.075 236 W CA 0.420 57.741 57.345 -0.040 0.000 1.439 236 W CB -0.738 28.727 29.460 0.010 0.000 0.927 236 W HN -0.187 nan 8.180 nan 0.000 0.604 237 A N 2.054 124.571 122.820 -0.506 0.000 2.066 237 A HA 0.099 4.423 4.320 0.006 0.000 0.218 237 A C 1.175 178.626 177.584 -0.222 0.000 1.157 237 A CA 1.922 53.736 52.037 -0.371 0.000 0.670 237 A CB -0.841 17.690 19.000 -0.781 0.000 0.804 237 A HN 0.260 nan 8.150 nan 0.000 0.453 238 T N -3.194 111.238 114.554 -0.205 0.000 2.883 238 T HA 0.612 4.966 4.350 0.006 0.000 0.296 238 T C -0.677 173.955 174.700 -0.114 0.000 1.117 238 T CA -0.135 61.858 62.100 -0.179 0.000 1.006 238 T CB 1.493 70.261 68.868 -0.166 0.000 1.191 238 T HN 0.864 nan 8.240 nan 0.000 0.508 239 V N -0.902 118.953 119.914 -0.099 0.000 2.914 239 V HA 0.888 5.012 4.120 0.006 0.000 0.314 239 V C 0.417 176.478 176.094 -0.056 0.000 1.084 239 V CA -0.828 61.430 62.300 -0.070 0.000 0.963 239 V CB 1.273 33.055 31.823 -0.068 0.000 1.025 239 V HN 1.375 nan 8.190 nan 0.000 0.432 240 S N 2.236 117.909 115.700 -0.045 0.000 2.587 240 S HA 0.487 4.961 4.470 0.006 0.000 0.260 240 S C 1.435 176.021 174.600 -0.023 0.000 1.353 240 S CA 0.182 58.363 58.200 -0.032 0.000 0.995 240 S CB 1.021 64.204 63.200 -0.029 0.000 0.912 240 S HN 1.954 nan 8.310 nan 0.000 0.568 241 A N 1.747 124.559 122.820 -0.013 0.000 1.933 241 A HA 0.142 4.466 4.320 0.006 0.000 0.218 241 A C 2.229 179.808 177.584 -0.008 0.000 1.175 241 A CA 1.634 53.668 52.037 -0.005 0.000 0.628 241 A CB -1.829 17.171 19.000 -0.000 0.000 0.814 241 A HN 1.145 nan 8.150 nan 0.000 0.444 242 G N -0.318 108.475 108.800 -0.012 0.000 2.421 242 G HA2 -0.259 3.705 3.960 0.006 0.000 0.216 242 G HA3 -0.259 3.705 3.960 0.006 0.000 0.216 242 G C 1.471 176.360 174.900 -0.018 0.000 1.171 242 G CA 1.382 46.474 45.100 -0.013 0.000 0.775 242 G HN 0.583 nan 8.290 nan 0.000 0.543 243 E N 0.971 121.156 120.200 -0.025 0.000 2.106 243 E HA 0.091 4.445 4.350 0.006 0.000 0.192 243 E C 2.600 179.173 176.600 -0.045 0.000 0.984 243 E CA 1.396 57.774 56.400 -0.037 0.000 0.806 243 E CB -0.507 29.166 29.700 -0.045 0.000 0.750 243 E HN 0.286 nan 8.360 nan 0.000 0.458 244 A N 0.892 123.694 122.820 -0.031 0.000 1.898 244 A HA -0.152 4.172 4.320 0.006 0.000 0.216 244 A C 2.299 179.892 177.584 0.014 0.000 1.181 244 A CA 1.674 53.704 52.037 -0.011 0.000 0.620 244 A CB -0.625 18.386 19.000 0.018 0.000 0.819 244 A HN 0.282 nan 8.150 nan 0.000 0.442 245 R N -0.456 120.047 120.500 0.006 0.000 2.091 245 R HA -0.157 4.187 4.340 0.006 0.000 0.238 245 R C 2.449 178.752 176.300 0.005 0.000 1.136 245 R CA 1.696 57.800 56.100 0.006 0.000 0.959 245 R CB -0.331 29.968 30.300 -0.002 0.000 0.856 245 R HN 0.518 nan 8.270 nan 0.000 0.437 246 R N 0.497 120.994 120.500 -0.005 0.000 2.083 246 R HA -0.143 4.201 4.340 0.006 0.000 0.237 246 R C 2.196 178.496 176.300 -0.001 0.000 1.137 246 R CA 1.888 57.984 56.100 -0.007 0.000 0.951 246 R CB -0.123 30.166 30.300 -0.017 0.000 0.851 246 R HN 0.289 nan 8.270 nan 0.000 0.434 247 R N -0.276 120.211 120.500 -0.022 0.000 2.092 247 R HA -0.040 4.304 4.340 0.006 0.000 0.231 247 R C 2.350 178.723 176.300 0.121 0.000 1.119 247 R CA 1.223 57.301 56.100 -0.037 0.000 0.970 247 R CB -0.290 29.851 30.300 -0.265 0.000 0.864 247 R HN 0.249 nan 8.270 nan 0.000 0.440 248 A N 0.990 123.905 122.820 0.159 0.000 1.898 248 A HA -0.183 4.140 4.320 0.006 0.000 0.216 248 A C 2.331 179.952 177.584 0.061 0.000 1.181 248 A CA 2.063 54.200 52.037 0.166 0.000 0.620 248 A CB -0.979 18.061 19.000 0.066 0.000 0.819 248 A HN 0.498 nan 8.150 nan 0.000 0.442 249 T N -1.944 112.630 114.554 0.032 0.000 2.821 249 T HA -0.127 4.226 4.350 0.006 0.000 0.267 249 T C 1.780 176.494 174.700 0.023 0.000 1.046 249 T CA 1.491 63.597 62.100 0.010 0.000 1.139 249 T CB -0.484 68.385 68.868 0.002 0.000 0.871 249 T HN 0.210 nan 8.240 nan 0.000 0.454 250 L N 0.866 122.114 121.223 0.042 0.000 2.046 250 L HA 0.196 4.539 4.340 0.006 0.000 0.208 250 L C 2.347 179.259 176.870 0.070 0.000 1.077 250 L CA 1.569 56.438 54.840 0.049 0.000 0.747 250 L CB -1.223 40.868 42.059 0.053 0.000 0.896 250 L HN 0.383 nan 8.230 nan 0.000 0.432 251 L N -0.188 121.105 121.223 0.117 0.000 2.046 251 L HA -0.074 4.270 4.340 0.006 0.000 0.208 251 L C 2.518 179.404 176.870 0.026 0.000 1.077 251 L CA 2.025 56.941 54.840 0.126 0.000 0.747 251 L CB -0.973 41.216 42.059 0.217 0.000 0.896 251 L HN 0.270 nan 8.230 nan 0.000 0.432 252 A N -0.008 122.815 122.820 0.005 0.000 1.873 252 A HA -0.286 4.038 4.320 0.006 0.000 0.218 252 A C 2.409 179.975 177.584 -0.030 0.000 1.193 252 A CA 2.242 54.263 52.037 -0.027 0.000 0.629 252 A CB -0.729 18.252 19.000 -0.033 0.000 0.826 252 A HN 0.537 nan 8.150 nan 0.000 0.447 253 R N -0.630 119.860 120.500 -0.017 0.000 2.096 253 R HA -0.127 4.217 4.340 0.006 0.000 0.240 253 R C 2.038 178.310 176.300 -0.046 0.000 1.139 253 R CA 1.625 57.712 56.100 -0.021 0.000 0.952 253 R CB -0.709 29.588 30.300 -0.005 0.000 0.854 253 R HN 0.565 nan 8.270 nan 0.000 0.436 254 L N 1.004 122.193 121.223 -0.057 0.000 2.353 254 L HA -0.090 4.254 4.340 0.006 0.000 0.220 254 L C 1.818 178.493 176.870 -0.324 0.000 1.133 254 L CA 0.668 55.426 54.840 -0.137 0.000 0.798 254 L CB -0.178 41.840 42.059 -0.067 0.000 0.922 254 L HN 0.153 nan 8.230 nan 0.000 0.445 255 V N -4.310 115.472 119.914 -0.221 0.000 3.176 255 V HA 0.541 4.665 4.120 0.006 0.000 0.332 255 V C 0.938 176.984 176.094 -0.079 0.000 1.414 255 V CA 0.056 62.243 62.300 -0.189 0.000 1.133 255 V CB -0.126 31.615 31.823 -0.136 0.000 1.088 255 V HN 0.341 nan 8.190 nan 0.000 0.473 256 G N -0.055 108.708 108.800 -0.062 0.000 2.289 256 G HA2 -0.210 3.754 3.960 0.006 0.000 0.280 256 G HA3 -0.210 3.754 3.960 0.006 0.000 0.280 256 G C -0.043 174.846 174.900 -0.019 0.000 1.089 256 G CA 0.173 45.255 45.100 -0.030 0.000 0.939 256 G HN 0.774 nan 8.290 nan 0.000 0.499 266 D N 1.520 121.914 120.400 -0.010 0.000 2.116 266 D HA -0.137 4.507 4.640 0.006 0.000 0.193 266 D C 1.477 177.768 176.300 -0.015 0.000 0.998 266 D CA 2.015 56.004 54.000 -0.018 0.000 0.836 266 D CB -0.050 40.740 40.800 -0.017 0.000 0.951 266 D HN 0.604 nan 8.370 nan 0.000 0.449 267 T N 0.539 115.091 114.554 -0.003 0.000 2.699 267 T HA -0.213 4.141 4.350 0.006 0.000 0.268 267 T C 1.797 176.502 174.700 0.008 0.000 1.036 267 T CA 1.626 63.729 62.100 0.006 0.000 1.147 267 T CB -0.188 68.686 68.868 0.010 0.000 0.862 267 T HN 0.342 nan 8.240 nan 0.000 0.446 268 E N 0.494 120.697 120.200 0.004 0.000 2.072 268 E HA -0.039 4.315 4.350 0.006 0.000 0.190 268 E C 2.273 178.874 176.600 0.002 0.000 0.982 268 E CA 0.515 56.918 56.400 0.006 0.000 0.803 268 E CB -0.179 29.523 29.700 0.004 0.000 0.755 268 E HN 0.468 nan 8.360 nan 0.000 0.453 269 L N 0.832 122.049 121.223 -0.009 0.000 1.994 269 L HA -0.190 4.154 4.340 0.006 0.000 0.208 269 L C 2.395 179.250 176.870 -0.025 0.000 1.071 269 L CA 1.401 56.228 54.840 -0.021 0.000 0.745 269 L CB -0.228 41.810 42.059 -0.035 0.000 0.892 269 L HN 0.221 nan 8.230 nan 0.000 0.431 270 I N 0.174 120.723 120.570 -0.035 0.000 2.208 270 I HA -0.296 3.877 4.170 0.006 0.000 0.245 270 I C 2.783 178.943 176.117 0.071 0.000 1.097 270 I CA 1.170 62.453 61.300 -0.028 0.000 1.363 270 I CB -0.578 37.406 38.000 -0.026 0.000 1.051 270 I HN 0.371 nan 8.210 nan 0.000 0.413 271 A N -0.358 122.494 122.820 0.053 0.000 1.940 271 A HA -0.294 4.030 4.320 0.006 0.000 0.219 271 A C 2.523 180.144 177.584 0.061 0.000 1.176 271 A CA 1.968 54.042 52.037 0.062 0.000 0.631 271 A CB -1.274 17.749 19.000 0.038 0.000 0.814 271 A HN 0.644 nan 8.150 nan 0.000 0.446 272 c N -0.676 117.950 118.600 0.043 0.000 2.466 272 c HA 0.055 4.629 4.570 0.006 0.000 0.278 272 c C 2.560 176.684 174.090 0.057 0.000 1.288 272 c CA 0.977 57.328 56.329 0.037 0.000 1.722 272 c CB -1.516 41.004 42.510 0.017 0.000 2.017 272 c HN 0.590 nan 8.230 nan 0.000 0.488 273 L N 0.443 121.711 121.223 0.076 0.000 2.079 273 L HA -0.143 4.201 4.340 0.006 0.000 0.210 273 L C 2.919 179.917 176.870 0.213 0.000 1.081 273 L CA 1.568 56.491 54.840 0.138 0.000 0.752 273 L CB -0.647 41.484 42.059 0.120 0.000 0.896 273 L HN 0.377 nan 8.230 nan 0.000 0.433 274 R N -0.653 119.973 120.500 0.211 0.000 2.280 274 R HA -0.089 4.254 4.340 0.006 0.000 0.207 274 R C 2.048 178.377 176.300 0.049 0.000 1.043 274 R CA 1.502 57.673 56.100 0.118 0.000 1.006 274 R CB -0.231 30.130 30.300 0.101 0.000 0.885 274 R HN 0.500 nan 8.270 nan 0.000 0.467 275 T N -1.967 112.619 114.554 0.054 0.000 3.081 275 T HA 0.144 4.498 4.350 0.006 0.000 0.250 275 T C 0.858 175.575 174.700 0.029 0.000 1.100 275 T CA -0.236 61.883 62.100 0.032 0.000 1.038 275 T CB 0.229 69.114 68.868 0.029 0.000 0.962 275 T HN -0.154 nan 8.240 nan 0.000 0.516 276 R N 2.756 123.281 120.500 0.041 0.000 2.441 276 R HA 0.423 4.767 4.340 0.006 0.000 0.284 276 R C -2.706 173.612 176.300 0.029 0.000 1.070 276 R CA -2.620 53.504 56.100 0.040 0.000 1.047 276 R CB -0.062 30.267 30.300 0.050 0.000 1.016 276 R HN 0.256 nan 8.270 nan 0.000 0.477 277 P HA 0.021 nan 4.420 nan 0.000 0.269 277 P C 0.236 177.523 177.300 -0.022 0.000 1.209 277 P CA 0.093 63.188 63.100 -0.008 0.000 0.776 277 P CB 0.564 32.273 31.700 0.014 0.000 0.876 278 A N 2.454 125.180 122.820 -0.156 0.000 1.908 278 A HA -0.273 4.050 4.320 0.006 0.000 0.218 278 A C 2.176 179.685 177.584 -0.126 0.000 1.181 278 A CA 1.937 53.846 52.037 -0.212 0.000 0.627 278 A CB -1.327 17.039 19.000 -1.057 0.000 0.818 278 A HN 0.545 nan 8.150 nan 0.000 0.445 279 Q N 0.003 119.706 119.800 -0.162 0.000 2.181 279 Q HA -0.208 4.136 4.340 0.006 0.000 0.205 279 Q C 1.560 177.672 176.000 0.187 0.000 0.980 279 Q CA 2.073 57.972 55.803 0.160 0.000 0.862 279 Q CB -0.424 28.439 28.738 0.208 0.000 0.905 279 Q HN 0.629 nan 8.270 nan 0.000 0.429 280 D N -0.986 119.502 120.400 0.147 0.000 2.178 280 D HA -0.098 4.546 4.640 0.006 0.000 0.202 280 D C 1.636 178.096 176.300 0.267 0.000 0.974 280 D CA 0.832 54.957 54.000 0.209 0.000 0.841 280 D CB 0.006 40.901 40.800 0.158 0.000 0.953 280 D HN 0.366 nan 8.370 nan 0.000 0.478 281 L N -0.490 120.834 121.223 0.167 0.000 2.072 281 L HA -0.079 4.265 4.340 0.006 0.000 0.205 281 L C 2.550 179.503 176.870 0.139 0.000 1.079 281 L CA 0.431 55.325 54.840 0.090 0.000 0.752 281 L CB -0.384 41.595 42.059 -0.133 0.000 0.906 281 L HN -0.036 nan 8.230 nan 0.000 0.436 282 V N -0.038 120.018 119.914 0.235 0.000 2.407 282 V HA -0.275 3.849 4.120 0.006 0.000 0.248 282 V C 1.937 178.166 176.094 0.225 0.000 1.055 282 V CA 1.793 64.276 62.300 0.305 0.000 1.049 282 V CB -0.519 31.585 31.823 0.468 0.000 0.662 282 V HN 0.419 nan 8.190 nan 0.000 0.455 283 D N -1.062 119.442 120.400 0.173 0.000 2.309 283 D HA -0.118 4.526 4.640 0.006 0.000 0.212 283 D C 1.714 177.853 176.300 -0.268 0.000 0.968 283 D CA 1.261 55.260 54.000 -0.002 0.000 0.882 283 D CB -0.105 40.659 40.800 -0.059 0.000 0.918 283 D HN 0.643 nan 8.370 nan 0.000 0.503 284 H N -1.094 118.001 119.070 0.041 0.000 3.046 284 H HA 0.099 4.659 4.556 0.006 0.000 0.262 284 H C 1.721 177.041 175.328 -0.014 0.000 1.044 284 H CA 0.202 56.253 56.048 0.005 0.000 1.209 284 H CB 0.519 30.369 29.762 0.147 0.000 1.507 284 H HN 0.181 nan 8.280 nan 0.000 0.507 285 E N 0.545 120.838 120.200 0.154 0.000 2.097 285 E HA -0.260 4.094 4.350 0.006 0.000 0.196 285 E C 1.333 178.076 176.600 0.238 0.000 1.000 285 E CA 1.138 57.714 56.400 0.294 0.000 0.804 285 E CB -0.397 29.471 29.700 0.280 0.000 0.740 285 E HN 0.431 nan 8.360 nan 0.000 0.454 286 W N 1.905 123.080 121.300 -0.209 0.000 2.611 286 W HA -0.056 4.608 4.660 0.006 0.000 0.251 286 W C 1.054 177.510 176.519 -0.106 0.000 1.265 286 W CA 0.841 58.038 57.345 -0.246 0.000 1.295 286 W CB -0.181 29.029 29.460 -0.417 0.000 1.129 286 W HN 0.285 nan 8.180 nan 0.000 0.630 287 H N -0.753 118.445 119.070 0.214 0.000 2.547 287 H HA 0.030 4.590 4.556 0.006 0.000 0.266 287 H C 2.046 177.426 175.328 0.085 0.000 0.988 287 H CA 1.288 57.395 56.048 0.097 0.000 1.147 287 H CB -0.935 28.896 29.762 0.115 0.000 1.365 287 H HN 0.179 nan 8.280 nan 0.000 0.589 288 V N -1.902 118.128 119.914 0.193 0.000 3.647 288 V HA 0.210 4.334 4.120 0.006 0.000 0.279 288 V C 0.787 176.891 176.094 0.018 0.000 1.314 288 V CA -0.140 62.214 62.300 0.090 0.000 1.125 288 V CB -0.611 31.243 31.823 0.053 0.000 0.907 288 V HN -0.002 nan 8.190 nan 0.000 0.434 289 L N 1.658 122.912 121.223 0.051 0.000 2.456 289 L HA 0.242 4.586 4.340 0.006 0.000 0.272 289 L C -0.694 176.182 176.870 0.010 0.000 1.189 289 L CA -1.028 53.826 54.840 0.022 0.000 0.846 289 L CB 0.724 42.826 42.059 0.072 0.000 1.111 289 L HN 0.145 nan 8.230 nan 0.000 0.475 290 P HA -0.058 nan 4.420 nan 0.000 0.219 290 P C -0.472 176.826 177.300 -0.004 0.000 1.150 290 P CA 1.016 64.111 63.100 -0.009 0.000 0.814 290 P CB 0.398 32.089 31.700 -0.016 0.000 0.787 291 Q N -1.674 118.126 119.800 0.000 0.000 2.587 291 Q HA 0.335 4.679 4.340 0.006 0.000 0.293 291 Q C -0.617 175.385 176.000 0.004 0.000 1.083 291 Q CA -0.810 54.993 55.803 0.000 0.000 0.792 291 Q CB 1.178 29.916 28.738 0.001 0.000 1.484 291 Q HN -0.086 nan 8.270 nan 0.000 0.446 292 E N 0.963 121.162 120.200 -0.000 0.000 2.257 292 E HA 0.368 4.722 4.350 0.006 0.000 0.278 292 E C -1.090 175.521 176.600 0.019 0.000 1.049 292 E CA -0.001 56.401 56.400 0.002 0.000 0.876 292 E CB 0.388 30.085 29.700 -0.005 0.000 1.035 292 E HN 0.590 nan 8.360 nan 0.000 0.419 293 S N 3.843 119.567 115.700 0.040 0.000 2.615 293 S HA 0.645 5.119 4.470 0.006 0.000 0.269 293 S C -0.466 174.183 174.600 0.082 0.000 1.161 293 S CA -1.027 57.200 58.200 0.045 0.000 0.817 293 S CB 0.793 64.004 63.200 0.019 0.000 1.131 293 S HN 0.536 nan 8.310 nan 0.000 0.467 294 I N -2.998 117.610 120.570 0.064 0.000 3.002 294 I HA 0.780 4.954 4.170 0.006 0.000 0.310 294 I C -0.315 175.786 176.117 -0.027 0.000 1.087 294 I CA -1.230 60.123 61.300 0.090 0.000 1.017 294 I CB 1.143 39.249 38.000 0.177 0.000 1.226 294 I HN 0.755 nan 8.210 nan 0.000 0.443 295 F N 1.591 121.335 119.950 -0.344 0.000 3.067 295 F HA -0.186 4.345 4.527 0.007 0.000 0.279 295 F C -0.286 174.932 175.800 -0.970 0.000 0.945 295 F CA 0.663 58.165 58.000 -0.831 0.000 0.948 295 F CB -0.630 37.796 39.000 -0.957 0.000 0.898 295 F HN 0.570 nan 8.300 nan 0.000 0.746 296 R N 0.419 120.404 120.500 -0.859 0.000 2.621 296 R HA 0.630 4.974 4.340 0.006 0.000 0.284 296 R C -1.064 174.693 176.300 -0.905 0.000 0.998 296 R CA -0.581 55.092 56.100 -0.712 0.000 0.895 296 R CB 1.449 31.612 30.300 -0.228 0.000 1.195 296 R HN 0.004 nan 8.270 nan 0.000 0.450 297 F N -0.652 119.344 119.950 0.076 0.000 2.540 297 F HA 0.342 4.873 4.527 0.006 0.000 0.317 297 F C 1.460 177.248 175.800 -0.020 0.000 1.104 297 F CA -0.804 57.206 58.000 0.018 0.000 0.913 297 F CB 1.947 41.038 39.000 0.152 0.000 1.170 297 F HN 0.352 nan 8.300 nan 0.000 0.450 298 S N 0.883 116.627 115.700 0.072 0.000 2.368 298 S HA -0.023 4.451 4.470 0.006 0.000 0.224 298 S C -0.028 174.273 174.600 -0.498 0.000 1.029 298 S CA 1.202 59.273 58.200 -0.216 0.000 0.988 298 S CB -0.217 62.882 63.200 -0.169 0.000 0.838 298 S HN 0.376 nan 8.310 nan 0.000 0.462 299 F N 1.349 121.391 119.950 0.155 0.000 2.513 299 F HA 0.536 5.067 4.527 0.007 0.000 0.358 299 F C -0.089 175.733 175.800 0.037 0.000 1.118 299 F CA -0.959 57.125 58.000 0.140 0.000 1.037 299 F CB 1.417 40.535 39.000 0.198 0.000 1.276 299 F HN -0.114 nan 8.300 nan 0.000 0.446 300 V N 0.591 120.473 119.914 -0.054 0.000 3.167 300 V HA 0.771 4.895 4.120 0.006 0.000 0.310 300 V C -2.906 172.824 176.094 -0.607 0.000 1.207 300 V CA -3.358 58.553 62.300 -0.648 0.000 1.059 300 V CB 2.017 33.638 31.823 -0.337 0.000 1.079 300 V HN 0.234 nan 8.190 nan 0.000 0.446 301 P HA 0.148 nan 4.420 nan 0.000 0.264 301 P C -0.605 176.575 177.300 -0.200 0.000 1.183 301 P CA 0.504 63.361 63.100 -0.405 0.000 0.763 301 P CB 0.575 31.965 31.700 -0.517 0.000 0.807 302 V N 5.255 125.127 119.914 -0.070 0.000 2.532 302 V HA 0.200 4.324 4.120 0.006 0.000 0.295 302 V C -0.157 175.923 176.094 -0.024 0.000 1.041 302 V CA -0.824 61.454 62.300 -0.038 0.000 0.926 302 V CB 1.904 33.732 31.823 0.009 0.000 0.992 302 V HN 0.147 nan 8.190 nan 0.000 0.457 303 V N 7.426 127.326 119.914 -0.023 0.000 2.359 303 V HA 0.135 4.259 4.120 0.006 0.000 0.248 303 V C 0.858 176.961 176.094 0.016 0.000 1.091 303 V CA 0.389 62.688 62.300 -0.002 0.000 1.103 303 V CB -0.048 31.766 31.823 -0.014 0.000 1.176 303 V HN 1.061 nan 8.190 nan 0.000 0.488 304 D N 2.637 123.061 120.400 0.040 0.000 2.350 304 D HA 0.104 4.748 4.640 0.006 0.000 0.213 304 D C 1.554 177.881 176.300 0.045 0.000 1.031 304 D CA 0.640 54.667 54.000 0.045 0.000 0.861 304 D CB 0.307 41.145 40.800 0.065 0.000 0.926 304 D HN 0.660 nan 8.370 nan 0.000 0.520 305 G N 0.695 109.522 108.800 0.044 0.000 2.153 305 G HA2 -0.329 3.635 3.960 0.006 0.000 0.252 305 G HA3 -0.329 3.635 3.960 0.006 0.000 0.252 305 G C 0.357 175.284 174.900 0.043 0.000 0.994 305 G CA 0.826 45.947 45.100 0.035 0.000 0.698 305 G HN 0.553 nan 8.290 nan 0.000 0.521 306 D N -1.723 118.720 120.400 0.072 0.000 3.054 306 D HA 0.210 4.854 4.640 0.006 0.000 0.209 306 D C 1.695 178.055 176.300 0.101 0.000 1.527 306 D CA 0.372 54.419 54.000 0.079 0.000 1.427 306 D CB -0.659 40.198 40.800 0.094 0.000 1.059 306 D HN 0.074 nan 8.370 nan 0.000 0.243 307 F N 1.185 121.146 119.950 0.018 0.000 2.126 307 F HA 0.178 4.709 4.527 0.006 0.000 0.299 307 F C 0.542 176.347 175.800 0.009 0.000 1.096 307 F CA 1.205 59.217 58.000 0.020 0.000 1.255 307 F CB 0.172 39.183 39.000 0.018 0.000 0.997 307 F HN -0.012 nan 8.300 nan 0.000 0.479 308 L N 0.699 122.088 121.223 0.277 0.000 2.295 308 L HA 0.201 4.545 4.340 0.006 0.000 0.281 308 L C 1.336 178.251 176.870 0.075 0.000 1.018 308 L CA -0.264 54.668 54.840 0.152 0.000 0.841 308 L CB 1.410 43.549 42.059 0.133 0.000 1.218 308 L HN 0.024 nan 8.230 nan 0.000 0.424 309 S N 0.212 115.936 115.700 0.040 0.000 2.447 309 S HA -0.028 4.446 4.470 0.006 0.000 0.233 309 S C 0.439 175.050 174.600 0.018 0.000 1.006 309 S CA 0.541 58.754 58.200 0.022 0.000 0.957 309 S CB 0.091 63.293 63.200 0.005 0.000 0.773 309 S HN 0.716 nan 8.310 nan 0.000 0.507 310 D N 0.150 120.562 120.400 0.020 0.000 2.768 310 D HA 0.304 4.948 4.640 0.006 0.000 0.327 310 D C -0.773 175.531 176.300 0.008 0.000 1.302 310 D CA -0.000 54.006 54.000 0.011 0.000 0.897 310 D CB 1.229 42.033 40.800 0.007 0.000 1.420 310 D HN 0.177 nan 8.370 nan 0.000 0.494 311 T N -0.950 113.601 114.554 -0.005 0.000 2.903 311 T HA 0.255 4.608 4.350 0.006 0.000 0.314 311 T C -1.807 172.885 174.700 -0.014 0.000 1.078 311 T CA -0.623 61.466 62.100 -0.019 0.000 1.114 311 T CB 1.027 69.877 68.868 -0.030 0.000 0.987 311 T HN 0.107 nan 8.240 nan 0.000 0.548 312 P HA -0.106 nan 4.420 nan 0.000 0.215 312 P C 1.522 178.810 177.300 -0.020 0.000 1.153 312 P CA 1.138 64.221 63.100 -0.029 0.000 0.853 312 P CB 0.039 31.690 31.700 -0.080 0.000 0.788 313 E N -0.131 120.046 120.200 -0.038 0.000 2.070 313 E HA -0.262 4.092 4.350 0.006 0.000 0.197 313 E C 1.892 178.494 176.600 0.004 0.000 1.004 313 E CA 1.608 57.992 56.400 -0.025 0.000 0.805 313 E CB -0.570 29.108 29.700 -0.037 0.000 0.744 313 E HN 0.077 nan 8.360 nan 0.000 0.451 314 A N 1.068 123.890 122.820 0.004 0.000 1.902 314 A HA -0.145 4.179 4.320 0.006 0.000 0.217 314 A C 2.274 179.879 177.584 0.036 0.000 1.181 314 A CA 1.324 53.369 52.037 0.014 0.000 0.623 314 A CB -0.679 18.324 19.000 0.005 0.000 0.818 314 A HN 0.330 nan 8.150 nan 0.000 0.443 315 L N -0.098 121.153 121.223 0.048 0.000 2.083 315 L HA -0.155 4.189 4.340 0.006 0.000 0.209 315 L C 2.579 179.557 176.870 0.180 0.000 1.083 315 L CA 1.603 56.495 54.840 0.086 0.000 0.752 315 L CB -0.650 41.461 42.059 0.088 0.000 0.899 315 L HN 0.689 nan 8.230 nan 0.000 0.433 316 I N -3.149 117.523 120.570 0.170 0.000 2.617 316 I HA -0.098 4.076 4.170 0.006 0.000 0.256 316 I C 1.928 178.187 176.117 0.237 0.000 1.167 316 I CA 1.118 62.569 61.300 0.252 0.000 1.469 316 I CB -0.364 37.676 38.000 0.067 0.000 1.098 316 I HN 0.152 nan 8.210 nan 0.000 0.436 317 N N 1.486 120.261 118.700 0.125 0.000 2.270 317 N HA -0.091 4.653 4.740 0.006 0.000 0.181 317 N C 1.711 177.264 175.510 0.072 0.000 1.016 317 N CA 2.045 55.147 53.050 0.088 0.000 0.870 317 N CB -0.213 38.302 38.487 0.047 0.000 0.979 317 N HN 0.675 nan 8.380 nan 0.000 0.431 318 T N -3.760 110.824 114.554 0.050 0.000 3.084 318 T HA 0.371 4.725 4.350 0.006 0.000 0.270 318 T C 0.794 175.444 174.700 -0.083 0.000 1.008 318 T CA -0.518 61.577 62.100 -0.007 0.000 0.900 318 T CB 0.162 69.022 68.868 -0.013 0.000 1.084 318 T HN 0.032 nan 8.240 nan 0.000 0.538 319 G N 0.554 109.277 108.800 -0.129 0.000 2.537 319 G HA2 0.446 4.410 3.960 0.006 0.000 0.273 319 G HA3 0.446 4.410 3.960 0.006 0.000 0.273 319 G C -1.195 173.233 174.900 -0.787 0.000 1.189 319 G CA -0.449 44.337 45.100 -0.524 0.000 0.881 319 G HN 0.341 nan 8.290 nan 0.000 0.535 320 D N 0.145 120.036 120.400 -0.848 0.000 2.256 320 D HA 0.345 4.989 4.640 0.006 0.000 0.240 320 D C -0.881 174.985 176.300 -0.723 0.000 1.062 320 D CA -0.531 53.116 54.000 -0.590 0.000 0.832 320 D CB 1.245 41.876 40.800 -0.281 0.000 1.135 320 D HN 0.100 nan 8.370 nan 0.000 0.484 321 F N 2.224 122.182 119.950 0.014 0.000 2.835 321 F HA 0.192 4.722 4.527 0.006 0.000 0.342 321 F C 1.845 177.658 175.800 0.021 0.000 1.202 321 F CA -0.422 57.591 58.000 0.022 0.000 1.240 321 F CB 0.423 39.446 39.000 0.037 0.000 1.005 321 F HN 0.295 nan 8.300 nan 0.000 0.507 322 Q N 0.017 119.880 119.800 0.104 0.000 1.975 322 Q HA -0.210 4.134 4.340 0.006 0.000 0.205 322 Q C 0.820 176.862 176.000 0.071 0.000 0.990 322 Q CA 1.750 57.597 55.803 0.072 0.000 0.845 322 Q CB -0.258 28.494 28.738 0.024 0.000 0.913 322 Q HN 0.159 nan 8.270 nan 0.000 0.420 323 D N 0.254 120.683 120.400 0.048 0.000 2.982 323 D HA 0.173 4.817 4.640 0.006 0.000 0.238 323 D C -1.426 174.903 176.300 0.048 0.000 1.168 323 D CA 0.097 54.116 54.000 0.032 0.000 0.947 323 D CB -0.269 40.532 40.800 0.003 0.000 1.147 323 D HN -0.081 nan 8.370 nan 0.000 0.450 324 L N 1.243 122.518 121.223 0.086 0.000 2.543 324 L HA 0.410 4.754 4.340 0.006 0.000 0.265 324 L C -1.625 175.326 176.870 0.135 0.000 0.945 324 L CA -0.476 54.434 54.840 0.117 0.000 0.869 324 L CB 1.993 44.155 42.059 0.172 0.000 1.294 324 L HN -0.154 nan 8.230 nan 0.000 0.405 325 Q N 3.039 122.930 119.800 0.152 0.000 2.309 325 Q HA 0.858 5.202 4.340 0.006 0.000 0.264 325 Q C -1.369 174.883 176.000 0.420 0.000 1.008 325 Q CA -0.558 55.392 55.803 0.245 0.000 0.853 325 Q CB 2.834 31.674 28.738 0.170 0.000 1.314 325 Q HN 0.458 nan 8.270 nan 0.000 0.448 326 V N 2.391 122.540 119.914 0.392 0.000 2.686 326 V HA 0.446 4.570 4.120 0.006 0.000 0.306 326 V C -1.488 174.584 176.094 -0.036 0.000 1.065 326 V CA -0.850 61.586 62.300 0.227 0.000 0.894 326 V CB 1.959 33.827 31.823 0.075 0.000 1.004 326 V HN 0.599 nan 8.190 nan 0.000 0.424 327 L N 7.095 128.061 121.223 -0.429 0.000 2.296 327 L HA 0.901 5.245 4.340 0.006 0.000 0.286 327 L C -0.394 176.369 176.870 -0.179 0.000 1.023 327 L CA -0.092 54.420 54.840 -0.546 0.000 0.812 327 L CB 1.621 42.910 42.059 -1.282 0.000 1.223 327 L HN 0.617 nan 8.230 nan 0.000 0.421 328 V N 1.981 121.874 119.914 -0.035 0.000 3.078 328 V HA 1.130 5.254 4.120 0.006 0.000 0.311 328 V C -0.259 175.682 176.094 -0.255 0.000 1.138 328 V CA 0.135 62.403 62.300 -0.054 0.000 1.007 328 V CB 1.263 33.007 31.823 -0.132 0.000 1.045 328 V HN 1.115 nan 8.190 nan 0.000 0.432 329 G N 0.490 108.986 108.800 -0.507 0.000 2.441 329 G HA2 0.762 4.726 3.960 0.006 0.000 0.294 329 G HA3 0.762 4.726 3.960 0.006 0.000 0.294 329 G C -1.236 173.335 174.900 -0.548 0.000 1.393 329 G CA 0.116 44.455 45.100 -1.267 0.000 0.796 329 G HN 2.119 nan 8.290 nan 0.000 0.494 330 V N -2.420 117.286 119.914 -0.347 0.000 3.181 330 V HA 0.927 5.051 4.120 0.006 0.000 0.308 330 V C 0.255 176.515 176.094 0.277 0.000 1.214 330 V CA -0.383 61.948 62.300 0.052 0.000 1.053 330 V CB 1.165 33.003 31.823 0.026 0.000 1.069 330 V HN 1.912 nan 8.190 nan 0.000 0.441 331 V N -0.632 119.473 119.914 0.318 0.000 3.109 331 V HA 0.570 4.694 4.120 0.006 0.000 0.317 331 V C 1.383 177.665 176.094 0.314 0.000 1.074 331 V CA -0.106 62.434 62.300 0.400 0.000 1.033 331 V CB 1.209 33.261 31.823 0.382 0.000 1.111 331 V HN 1.053 nan 8.190 nan 0.000 0.458 332 K N -0.238 120.350 120.400 0.314 0.000 2.152 332 K HA -0.075 4.249 4.320 0.006 0.000 0.206 332 K C 0.196 176.923 176.600 0.211 0.000 1.048 332 K CA 1.864 58.290 56.287 0.232 0.000 0.933 332 K CB 0.061 32.679 32.500 0.197 0.000 0.721 332 K HN 0.905 nan 8.250 nan 0.000 0.447 333 D N 0.806 121.342 120.400 0.227 0.000 2.613 333 D HA 0.033 4.677 4.640 0.006 0.000 0.312 333 D C 0.038 176.485 176.300 0.245 0.000 1.202 333 D CA -0.086 54.039 54.000 0.209 0.000 0.825 333 D CB 1.341 42.242 40.800 0.168 0.000 1.113 333 D HN 0.093 nan 8.370 nan 0.000 0.502 334 E N 0.569 120.922 120.200 0.255 0.000 2.160 334 E HA -0.115 4.238 4.350 0.006 0.000 0.195 334 E C 1.917 178.713 176.600 0.327 0.000 0.991 334 E CA 0.737 57.324 56.400 0.312 0.000 0.810 334 E CB 0.213 30.055 29.700 0.238 0.000 0.742 334 E HN 0.461 nan 8.360 nan 0.000 0.466 335 G N 0.892 109.847 108.800 0.257 0.000 2.662 335 G HA2 -0.148 3.816 3.960 0.006 0.000 0.212 335 G HA3 -0.148 3.816 3.960 0.006 0.000 0.212 335 G C 1.705 176.796 174.900 0.319 0.000 1.141 335 G CA 0.719 45.984 45.100 0.275 0.000 0.797 335 G HN 0.358 nan 8.290 nan 0.000 0.531 336 S N 0.042 115.888 115.700 0.243 0.000 2.370 336 S HA -0.262 4.212 4.470 0.006 0.000 0.226 336 S C 2.099 176.759 174.600 0.100 0.000 1.033 336 S CA 1.369 59.678 58.200 0.182 0.000 1.011 336 S CB -0.890 62.318 63.200 0.013 0.000 0.852 336 S HN 0.466 nan 8.310 nan 0.000 0.457 337 Y N 1.166 121.390 120.300 -0.127 0.000 2.193 337 Y HA -0.178 4.376 4.550 0.006 0.000 0.285 337 Y C 1.777 177.552 175.900 -0.208 0.000 1.166 337 Y CA 1.826 59.708 58.100 -0.364 0.000 1.181 337 Y CB -0.296 37.850 38.460 -0.523 0.000 0.976 337 Y HN 0.299 nan 8.280 nan 0.000 0.520 338 F N -0.734 119.348 119.950 0.220 0.000 2.456 338 F HA -0.125 4.405 4.527 0.006 0.000 0.298 338 F C 1.919 177.839 175.800 0.201 0.000 1.104 338 F CA 0.666 58.768 58.000 0.170 0.000 1.435 338 F CB -0.420 38.570 39.000 -0.017 0.000 1.078 338 F HN -0.011 nan 8.300 nan 0.000 0.546 339 L N 0.032 121.411 121.223 0.260 0.000 2.079 339 L HA -0.173 4.171 4.340 0.006 0.000 0.210 339 L C 2.403 179.392 176.870 0.199 0.000 1.081 339 L CA 1.303 56.159 54.840 0.027 0.000 0.752 339 L CB -1.048 40.785 42.059 -0.377 0.000 0.896 339 L HN 0.186 nan 8.230 nan 0.000 0.433 340 V N -4.773 115.336 119.914 0.326 0.000 3.510 340 V HA -0.158 3.965 4.120 0.006 0.000 0.270 340 V C 1.342 177.504 176.094 0.113 0.000 1.201 340 V CA 0.846 63.324 62.300 0.297 0.000 1.166 340 V CB -1.114 30.915 31.823 0.342 0.000 0.825 340 V HN 0.314 nan 8.190 nan 0.000 0.484 341 Y N 1.414 121.858 120.300 0.239 0.000 2.524 341 Y HA 0.650 5.203 4.550 0.006 0.000 0.266 341 Y C 1.764 177.785 175.900 0.202 0.000 1.180 341 Y CA 0.355 58.598 58.100 0.239 0.000 1.244 341 Y CB 0.871 39.501 38.460 0.283 0.000 1.125 341 Y HN 0.417 nan 8.280 nan 0.000 0.524 342 G N -1.167 107.787 108.800 0.256 0.000 4.511 342 G HA2 -0.009 3.955 3.960 0.006 0.000 0.220 342 G HA3 -0.009 3.955 3.960 0.006 0.000 0.220 342 G C -0.926 174.063 174.900 0.149 0.000 0.733 342 G CA -0.424 44.783 45.100 0.179 0.000 0.897 342 G HN -0.061 nan 8.290 nan 0.000 0.691 343 V N 2.743 122.763 119.914 0.176 0.000 2.348 343 V HA 0.388 4.512 4.120 0.006 0.000 0.270 343 V C -2.015 174.273 176.094 0.323 0.000 1.037 343 V CA -1.743 60.683 62.300 0.209 0.000 0.872 343 V CB 1.248 33.135 31.823 0.107 0.000 1.002 343 V HN 0.045 nan 8.190 nan 0.000 0.464 344 P HA 0.255 nan 4.420 nan 0.000 0.264 344 P C 1.030 178.423 177.300 0.155 0.000 1.193 344 P CA 1.229 64.421 63.100 0.153 0.000 0.763 344 P CB 0.696 32.450 31.700 0.090 0.000 0.810 345 G N 1.518 110.347 108.800 0.048 0.000 2.278 345 G HA2 -0.199 3.764 3.960 0.006 0.000 0.210 345 G HA3 -0.199 3.764 3.960 0.006 0.000 0.210 345 G C -0.222 174.472 174.900 -0.343 0.000 1.000 345 G CA -0.607 44.390 45.100 -0.172 0.000 0.635 345 G HN 0.395 nan 8.290 nan 0.000 0.495 346 F N 1.764 121.716 119.950 0.004 0.000 2.420 346 F HA 0.807 5.338 4.527 0.006 0.000 0.342 346 F C 0.610 176.493 175.800 0.138 0.000 1.113 346 F CA -0.154 57.862 58.000 0.026 0.000 1.059 346 F CB 2.205 41.267 39.000 0.104 0.000 1.128 346 F HN 0.137 nan 8.300 nan 0.000 0.475 347 S N 1.460 117.371 115.700 0.352 0.000 2.550 347 S HA 0.286 4.760 4.470 0.006 0.000 0.270 347 S C 0.284 175.182 174.600 0.496 0.000 1.145 347 S CA -0.897 57.528 58.200 0.374 0.000 0.852 347 S CB 1.381 64.706 63.200 0.207 0.000 1.119 347 S HN 0.763 nan 8.310 nan 0.000 0.465 348 K N 0.920 121.515 120.400 0.325 0.000 2.432 348 K HA 0.141 4.465 4.320 0.006 0.000 0.196 348 K C -0.091 176.528 176.600 0.032 0.000 1.038 348 K CA 0.971 57.340 56.287 0.135 0.000 0.986 348 K CB -0.035 32.266 32.500 -0.331 0.000 0.782 348 K HN 0.387 nan 8.250 nan 0.000 0.485 349 D N 0.839 121.267 120.400 0.045 0.000 2.369 349 D HA 0.029 4.673 4.640 0.006 0.000 0.211 349 D C -0.281 176.048 176.300 0.049 0.000 1.077 349 D CA 0.237 54.232 54.000 -0.008 0.000 0.842 349 D CB 0.204 40.983 40.800 -0.035 0.000 0.947 349 D HN 0.515 nan 8.370 nan 0.000 0.509 350 N N -1.140 117.624 118.700 0.107 0.000 3.278 350 N HA 0.136 4.880 4.740 0.006 0.000 0.307 350 N C 0.419 175.971 175.510 0.070 0.000 1.551 350 N CA -0.525 52.561 53.050 0.060 0.000 0.794 350 N CB 0.852 39.331 38.487 -0.013 0.000 1.770 350 N HN -0.441 nan 8.380 nan 0.000 0.612 351 E N -0.447 119.721 120.200 -0.053 0.000 2.427 351 E HA 0.017 4.371 4.350 0.006 0.000 0.196 351 E C -0.303 175.939 176.600 -0.597 0.000 1.028 351 E CA 0.497 56.798 56.400 -0.166 0.000 0.864 351 E CB -0.591 29.054 29.700 -0.092 0.000 0.813 351 E HN 0.596 nan 8.360 nan 0.000 0.514 352 S N 0.042 115.414 115.700 -0.546 0.000 3.587 352 S HA -0.196 4.278 4.470 0.006 0.000 0.337 352 S C 0.445 174.593 174.600 -0.754 0.000 1.119 352 S CA 0.180 57.909 58.200 -0.785 0.000 0.976 352 S CB -1.990 60.474 63.200 -1.226 0.000 0.922 352 S HN 0.309 nan 8.310 nan 0.000 0.503 353 L N 1.583 122.528 121.223 -0.463 0.000 2.513 353 L HA 0.316 4.660 4.340 0.006 0.000 0.272 353 L C 0.754 177.413 176.870 -0.351 0.000 1.187 353 L CA 0.383 55.019 54.840 -0.341 0.000 0.895 353 L CB -0.038 41.896 42.059 -0.209 0.000 1.147 353 L HN 0.465 nan 8.230 nan 0.000 0.483 354 I N 0.087 120.462 120.570 -0.325 0.000 2.957 354 I HA 0.642 4.815 4.170 0.006 0.000 0.310 354 I C 0.302 176.345 176.117 -0.123 0.000 1.063 354 I CA -0.710 60.434 61.300 -0.259 0.000 1.033 354 I CB 2.121 39.941 38.000 -0.301 0.000 1.230 354 I HN 0.548 nan 8.210 nan 0.000 0.447 355 S N 2.218 117.879 115.700 -0.065 0.000 2.652 355 S HA 0.394 4.868 4.470 0.006 0.000 0.270 355 S C 0.931 175.559 174.600 0.047 0.000 1.243 355 S CA -0.521 57.669 58.200 -0.017 0.000 0.999 355 S CB 1.687 64.882 63.200 -0.008 0.000 0.973 355 S HN 0.899 nan 8.310 nan 0.000 0.544 356 R N 0.780 121.312 120.500 0.053 0.000 2.117 356 R HA -0.146 4.198 4.340 0.006 0.000 0.243 356 R C 2.241 178.642 176.300 0.168 0.000 1.143 356 R CA 1.790 57.963 56.100 0.121 0.000 0.968 356 R CB -1.098 29.249 30.300 0.078 0.000 0.863 356 R HN 0.846 nan 8.270 nan 0.000 0.444 357 A N 0.371 123.251 122.820 0.101 0.000 1.902 357 A HA -0.192 4.132 4.320 0.006 0.000 0.217 357 A C 2.025 179.665 177.584 0.093 0.000 1.181 357 A CA 1.490 53.577 52.037 0.084 0.000 0.623 357 A CB -0.432 18.599 19.000 0.051 0.000 0.818 357 A HN 0.526 nan 8.150 nan 0.000 0.443 358 Q N -1.824 118.036 119.800 0.100 0.000 2.224 358 Q HA -0.101 4.242 4.340 0.006 0.000 0.203 358 Q C 1.841 177.962 176.000 0.201 0.000 0.970 358 Q CA 1.343 57.216 55.803 0.116 0.000 0.865 358 Q CB -0.272 28.509 28.738 0.070 0.000 0.922 358 Q HN 0.811 nan 8.270 nan 0.000 0.445 359 F N 1.134 121.121 119.950 0.061 0.000 2.102 359 F HA -0.206 4.325 4.527 0.006 0.000 0.298 359 F C 1.761 177.599 175.800 0.065 0.000 1.105 359 F CA 0.981 59.026 58.000 0.075 0.000 1.239 359 F CB 0.106 39.132 39.000 0.043 0.000 0.991 359 F HN -0.034 nan 8.300 nan 0.000 0.474 360 L N 0.184 121.371 121.223 -0.059 0.000 2.046 360 L HA -0.201 4.142 4.340 0.006 0.000 0.208 360 L C 2.867 179.672 176.870 -0.107 0.000 1.077 360 L CA 1.173 55.921 54.840 -0.153 0.000 0.747 360 L CB -1.487 40.562 42.059 -0.016 0.000 0.896 360 L HN 0.248 nan 8.230 nan 0.000 0.432 361 A N 0.605 123.412 122.820 -0.022 0.000 1.933 361 A HA -0.100 4.224 4.320 0.006 0.000 0.218 361 A C 2.413 179.994 177.584 -0.005 0.000 1.175 361 A CA 1.697 53.734 52.037 0.001 0.000 0.628 361 A CB -1.120 17.902 19.000 0.036 0.000 0.814 361 A HN 0.447 nan 8.150 nan 0.000 0.444 362 G N -0.746 108.058 108.800 0.006 0.000 2.408 362 G HA2 -0.059 3.905 3.960 0.006 0.000 0.217 362 G HA3 -0.059 3.905 3.960 0.006 0.000 0.217 362 G C 1.472 176.329 174.900 -0.072 0.000 1.150 362 G CA 1.087 46.197 45.100 0.017 0.000 0.776 362 G HN 0.298 nan 8.290 nan 0.000 0.542 363 V N 0.934 120.731 119.914 -0.194 0.000 2.407 363 V HA -0.132 3.992 4.120 0.006 0.000 0.248 363 V C 2.991 179.028 176.094 -0.094 0.000 1.055 363 V CA 1.573 63.750 62.300 -0.205 0.000 1.049 363 V CB -0.360 31.252 31.823 -0.352 0.000 0.662 363 V HN 0.206 nan 8.190 nan 0.000 0.455 364 R N -0.111 120.346 120.500 -0.071 0.000 2.092 364 R HA 0.018 4.362 4.340 0.006 0.000 0.231 364 R C 2.038 178.330 176.300 -0.014 0.000 1.119 364 R CA 1.397 57.477 56.100 -0.033 0.000 0.970 364 R CB -0.814 29.473 30.300 -0.022 0.000 0.864 364 R HN 0.484 nan 8.270 nan 0.000 0.440 365 I N -0.594 119.971 120.570 -0.008 0.000 2.333 365 I HA -0.067 4.106 4.170 0.006 0.000 0.246 365 I C 2.249 178.374 176.117 0.014 0.000 1.106 365 I CA 1.400 62.707 61.300 0.012 0.000 1.411 365 I CB -0.527 37.491 38.000 0.030 0.000 1.082 365 I HN 0.184 nan 8.210 nan 0.000 0.420 366 G N 0.406 109.205 108.800 -0.000 0.000 2.511 366 G HA2 -0.013 3.951 3.960 0.006 0.000 0.217 366 G HA3 -0.013 3.951 3.960 0.006 0.000 0.217 366 G C 0.856 175.769 174.900 0.021 0.000 1.133 366 G CA 0.327 45.430 45.100 0.004 0.000 0.792 366 G HN 0.245 nan 8.290 nan 0.000 0.539 367 V N 2.075 121.987 119.914 -0.004 0.000 2.446 367 V HA 0.209 4.333 4.120 0.006 0.000 0.257 367 V C -1.389 174.709 176.094 0.007 0.000 1.036 367 V CA -1.084 61.203 62.300 -0.021 0.000 1.196 367 V CB 1.381 33.171 31.823 -0.056 0.000 1.446 367 V HN 0.070 nan 8.190 nan 0.000 0.558 368 P HA -0.166 nan 4.420 nan 0.000 0.220 368 P C 0.933 178.241 177.300 0.014 0.000 1.148 368 P CA 1.153 64.263 63.100 0.016 0.000 0.803 368 P CB 0.387 32.097 31.700 0.017 0.000 0.782 369 Q N -0.148 119.667 119.800 0.026 0.000 2.451 369 Q HA 0.275 4.619 4.340 0.006 0.000 0.206 369 Q C 1.065 177.066 176.000 0.003 0.000 0.947 369 Q CA 0.109 55.922 55.803 0.016 0.000 0.937 369 Q CB -0.991 27.764 28.738 0.029 0.000 1.025 369 Q HN 0.130 nan 8.270 nan 0.000 0.511 370 A N 1.410 124.230 122.820 -0.000 0.000 2.440 370 A HA 0.455 4.779 4.320 0.006 0.000 0.251 370 A C 0.518 178.097 177.584 -0.009 0.000 1.089 370 A CA -0.199 51.833 52.037 -0.009 0.000 0.779 370 A CB 0.176 19.172 19.000 -0.006 0.000 1.022 370 A HN 0.399 nan 8.150 nan 0.000 0.492 371 S N 1.697 117.388 115.700 -0.014 0.000 2.626 371 S HA 0.141 4.615 4.470 0.006 0.000 0.257 371 S C 0.406 175.006 174.600 0.000 0.000 1.288 371 S CA 0.136 58.331 58.200 -0.009 0.000 0.980 371 S CB 0.356 63.547 63.200 -0.015 0.000 0.975 371 S HN 0.626 nan 8.310 nan 0.000 0.577 372 D N -0.007 120.397 120.400 0.005 0.000 2.117 372 D HA -0.063 4.581 4.640 0.006 0.000 0.197 372 D C 1.752 178.069 176.300 0.027 0.000 0.987 372 D CA 0.844 54.852 54.000 0.014 0.000 0.829 372 D CB -0.481 40.328 40.800 0.015 0.000 0.961 372 D HN 0.395 nan 8.370 nan 0.000 0.460 373 L N 0.800 122.040 121.223 0.027 0.000 2.056 373 L HA -0.007 4.337 4.340 0.006 0.000 0.207 373 L C 2.094 179.004 176.870 0.066 0.000 1.078 373 L CA 1.576 56.444 54.840 0.047 0.000 0.749 373 L CB -0.773 41.309 42.059 0.040 0.000 0.901 373 L HN -0.029 nan 8.230 nan 0.000 0.433 374 A N -0.641 122.199 122.820 0.033 0.000 1.933 374 A HA -0.084 4.240 4.320 0.006 0.000 0.218 374 A C 2.423 180.049 177.584 0.071 0.000 1.175 374 A CA 1.693 53.750 52.037 0.033 0.000 0.628 374 A CB -1.032 17.948 19.000 -0.034 0.000 0.814 374 A HN 0.548 nan 8.150 nan 0.000 0.444 375 A N -0.397 122.450 122.820 0.045 0.000 1.898 375 A HA -0.130 4.194 4.320 0.006 0.000 0.216 375 A C 1.927 179.546 177.584 0.058 0.000 1.181 375 A CA 1.571 53.630 52.037 0.035 0.000 0.620 375 A CB -0.500 18.503 19.000 0.005 0.000 0.819 375 A HN 0.600 nan 8.150 nan 0.000 0.442 376 E N -0.275 119.970 120.200 0.075 0.000 2.085 376 E HA -0.154 4.200 4.350 0.006 0.000 0.194 376 E C 2.311 179.000 176.600 0.148 0.000 0.994 376 E CA 0.980 57.443 56.400 0.105 0.000 0.801 376 E CB -0.276 29.484 29.700 0.100 0.000 0.743 376 E HN 0.614 nan 8.360 nan 0.000 0.453 377 A N 0.649 123.574 122.820 0.176 0.000 1.883 377 A HA -0.197 4.127 4.320 0.006 0.000 0.217 377 A C 2.472 180.148 177.584 0.154 0.000 1.186 377 A CA 1.520 53.701 52.037 0.240 0.000 0.624 377 A CB -0.803 18.456 19.000 0.430 0.000 0.822 377 A HN 0.146 nan 8.150 nan 0.000 0.444 378 V N -0.485 119.538 119.914 0.182 0.000 2.255 378 V HA -0.253 3.871 4.120 0.006 0.000 0.247 378 V C 2.581 178.809 176.094 0.224 0.000 1.051 378 V CA 2.089 64.467 62.300 0.130 0.000 1.018 378 V CB -0.869 31.034 31.823 0.132 0.000 0.641 378 V HN 0.376 nan 8.190 nan 0.000 0.445 379 V N -0.169 119.842 119.914 0.160 0.000 2.343 379 V HA -0.260 3.864 4.120 0.006 0.000 0.247 379 V C 2.294 178.598 176.094 0.349 0.000 1.051 379 V CA 1.998 64.437 62.300 0.231 0.000 1.036 379 V CB -0.536 31.358 31.823 0.119 0.000 0.654 379 V HN 0.449 nan 8.190 nan 0.000 0.451 380 L N -0.686 120.728 121.223 0.320 0.000 2.046 380 L HA -0.212 4.132 4.340 0.006 0.000 0.208 380 L C 2.551 179.644 176.870 0.372 0.000 1.077 380 L CA 2.194 57.306 54.840 0.453 0.000 0.747 380 L CB -0.866 41.387 42.059 0.323 0.000 0.896 380 L HN 0.446 nan 8.230 nan 0.000 0.432 381 H N -0.845 118.251 119.070 0.042 0.000 2.389 381 H HA -0.186 4.373 4.556 0.005 0.000 0.299 381 H C 1.853 177.116 175.328 -0.109 0.000 1.081 381 H CA 1.840 57.780 56.048 -0.180 0.000 1.345 381 H CB 0.074 29.411 29.762 -0.708 0.000 1.393 381 H HN 0.234 nan 8.280 nan 0.000 0.520 382 Y N -0.145 120.257 120.300 0.169 0.000 2.500 382 Y HA 0.118 4.672 4.550 0.008 0.000 0.270 382 Y C 0.863 176.834 175.900 0.119 0.000 1.134 382 Y CA 0.352 58.574 58.100 0.205 0.000 1.293 382 Y CB 0.251 38.931 38.460 0.367 0.000 1.063 382 Y HN 0.036 nan 8.280 nan 0.000 0.534 383 T N 1.360 115.979 114.554 0.108 0.000 2.928 383 T HA -0.055 4.299 4.350 0.006 0.000 0.305 383 T C -0.282 174.166 174.700 -0.420 0.000 1.035 383 T CA -0.121 61.800 62.100 -0.297 0.000 1.145 383 T CB 0.233 68.541 68.868 -0.933 0.000 0.963 383 T HN 0.077 nan 8.240 nan 0.000 0.545 384 D N 2.006 122.140 120.400 -0.443 0.000 2.411 384 D HA 0.132 4.775 4.640 0.006 0.000 0.225 384 D C 0.022 176.077 176.300 -0.408 0.000 1.156 384 D CA -0.716 52.983 54.000 -0.503 0.000 0.874 384 D CB 0.247 40.495 40.800 -0.921 0.000 1.034 384 D HN 0.599 nan 8.370 nan 0.000 0.502 385 W N 3.095 124.336 121.300 -0.099 0.000 2.825 385 W HA 0.098 4.761 4.660 0.005 0.000 0.243 385 W C 1.872 178.318 176.519 -0.123 0.000 1.293 385 W CA -0.284 57.012 57.345 -0.082 0.000 1.403 385 W CB 0.135 29.554 29.460 -0.068 0.000 1.134 385 W HN 0.428 nan 8.180 nan 0.000 0.666 386 L N -0.909 120.300 121.223 -0.023 0.000 2.341 386 L HA -0.045 4.299 4.340 0.006 0.000 0.214 386 L C 0.058 176.599 176.870 -0.548 0.000 1.115 386 L CA 1.211 55.907 54.840 -0.239 0.000 0.820 386 L CB -0.127 41.798 42.059 -0.223 0.000 0.944 386 L HN 0.052 nan 8.230 nan 0.000 0.452 387 H N -2.375 116.620 119.070 -0.125 0.000 2.823 387 H HA 0.154 4.714 4.556 0.006 0.000 0.222 387 H C -1.968 173.249 175.328 -0.185 0.000 1.414 387 H CA -0.933 55.034 56.048 -0.136 0.000 1.289 387 H CB 0.369 30.040 29.762 -0.152 0.000 1.970 387 H HN -0.041 nan 8.280 nan 0.000 0.517 388 P HA -0.129 nan 4.420 nan 0.000 0.225 388 P C 0.957 178.182 177.300 -0.126 0.000 1.148 388 P CA 1.153 64.113 63.100 -0.233 0.000 0.779 388 P CB 0.563 32.138 31.700 -0.208 0.000 0.780 389 E N -0.949 119.223 120.200 -0.046 0.000 2.526 389 E HA 0.042 4.396 4.350 0.006 0.000 0.208 389 E C -0.147 176.441 176.600 -0.020 0.000 0.997 389 E CA -0.009 56.377 56.400 -0.024 0.000 0.961 389 E CB -0.079 29.620 29.700 -0.001 0.000 1.030 389 E HN 0.276 nan 8.360 nan 0.000 0.483 390 D N 1.999 122.395 120.400 -0.007 0.000 2.382 390 D HA 0.008 4.652 4.640 0.006 0.000 0.259 390 D C -1.638 174.641 176.300 -0.035 0.000 1.224 390 D CA -1.636 52.358 54.000 -0.009 0.000 0.894 390 D CB 1.381 42.177 40.800 -0.006 0.000 1.127 390 D HN -0.169 nan 8.370 nan 0.000 0.487 391 P HA -0.130 nan 4.420 nan 0.000 0.216 391 P C 1.099 178.333 177.300 -0.109 0.000 1.150 391 P CA 1.085 64.128 63.100 -0.095 0.000 0.837 391 P CB 0.219 31.860 31.700 -0.099 0.000 0.786 392 T N -1.961 112.549 114.554 -0.074 0.000 2.812 392 T HA -0.171 4.183 4.350 0.006 0.000 0.264 392 T C 1.748 176.426 174.700 -0.036 0.000 1.042 392 T CA 1.565 63.630 62.100 -0.058 0.000 1.140 392 T CB -1.003 67.846 68.868 -0.032 0.000 0.870 392 T HN 0.271 nan 8.240 nan 0.000 0.445 393 H N 1.003 120.010 119.070 -0.105 0.000 2.387 393 H HA 0.106 4.665 4.556 0.006 0.000 0.299 393 H C 1.969 177.200 175.328 -0.161 0.000 1.090 393 H CA 1.221 57.204 56.048 -0.108 0.000 1.332 393 H CB -0.514 29.173 29.762 -0.126 0.000 1.386 393 H HN 0.235 nan 8.280 nan 0.000 0.516 394 L N 0.058 121.100 121.223 -0.301 0.000 2.083 394 L HA -0.143 4.200 4.340 0.006 0.000 0.209 394 L C 2.902 179.612 176.870 -0.268 0.000 1.083 394 L CA 1.378 55.920 54.840 -0.498 0.000 0.752 394 L CB -0.463 41.386 42.059 -0.350 0.000 0.899 394 L HN 0.293 nan 8.230 nan 0.000 0.433 395 R N 0.542 120.968 120.500 -0.124 0.000 2.073 395 R HA -0.184 4.159 4.340 0.006 0.000 0.234 395 R C 1.575 177.950 176.300 0.125 0.000 1.134 395 R CA 2.122 58.249 56.100 0.046 0.000 0.952 395 R CB -0.344 29.871 30.300 -0.142 0.000 0.850 395 R HN 0.339 nan 8.270 nan 0.000 0.433 396 D N 0.264 120.669 120.400 0.009 0.000 2.224 396 D HA -0.040 4.604 4.640 0.006 0.000 0.205 396 D C 1.673 177.981 176.300 0.013 0.000 0.965 396 D CA 1.210 55.249 54.000 0.066 0.000 0.852 396 D CB -0.116 40.716 40.800 0.053 0.000 0.947 396 D HN 0.363 nan 8.370 nan 0.000 0.494 397 A N 0.614 123.322 122.820 -0.187 0.000 1.929 397 A HA -0.118 4.206 4.320 0.006 0.000 0.216 397 A C 2.124 179.776 177.584 0.113 0.000 1.176 397 A CA 1.224 53.196 52.037 -0.108 0.000 0.628 397 A CB -0.416 18.296 19.000 -0.480 0.000 0.816 397 A HN 0.132 nan 8.150 nan 0.000 0.444 398 M N -0.097 119.622 119.600 0.198 0.000 2.117 398 M HA -0.089 4.395 4.480 0.006 0.000 0.262 398 M C 2.287 178.638 176.300 0.084 0.000 1.065 398 M CA 2.051 57.511 55.300 0.268 0.000 1.114 398 M CB -0.542 32.263 32.600 0.342 0.000 1.361 398 M HN 0.395 nan 8.290 nan 0.000 0.408 399 S N -0.331 115.439 115.700 0.117 0.000 2.359 399 S HA -0.123 4.351 4.470 0.006 0.000 0.224 399 S C 2.047 176.719 174.600 0.120 0.000 1.035 399 S CA 1.635 59.920 58.200 0.141 0.000 1.018 399 S CB -0.609 62.739 63.200 0.248 0.000 0.876 399 S HN 0.634 nan 8.310 nan 0.000 0.448 400 A N 0.853 123.758 122.820 0.141 0.000 1.902 400 A HA -0.001 4.323 4.320 0.006 0.000 0.217 400 A C 2.363 179.997 177.584 0.084 0.000 1.181 400 A CA 1.760 53.913 52.037 0.193 0.000 0.623 400 A CB -1.171 18.046 19.000 0.361 0.000 0.818 400 A HN 0.451 nan 8.150 nan 0.000 0.443 401 V N -0.275 119.528 119.914 -0.185 0.000 2.252 401 V HA -0.293 3.830 4.120 0.006 0.000 0.249 401 V C 2.597 178.596 176.094 -0.159 0.000 1.056 401 V CA 2.305 64.402 62.300 -0.338 0.000 1.022 401 V CB -0.854 30.776 31.823 -0.321 0.000 0.641 401 V HN 0.393 nan 8.190 nan 0.000 0.445 402 V N 0.561 120.417 119.914 -0.096 0.000 2.358 402 V HA -0.160 3.964 4.120 0.006 0.000 0.246 402 V C 2.605 178.597 176.094 -0.169 0.000 1.047 402 V CA 2.156 64.391 62.300 -0.108 0.000 1.035 402 V CB -1.387 30.427 31.823 -0.016 0.000 0.658 402 V HN 0.622 nan 8.190 nan 0.000 0.452 403 G N -0.314 108.453 108.800 -0.055 0.000 2.418 403 G HA2 -0.230 3.734 3.960 0.006 0.000 0.217 403 G HA3 -0.230 3.734 3.960 0.006 0.000 0.217 403 G C 1.228 176.059 174.900 -0.115 0.000 1.158 403 G CA 1.036 46.117 45.100 -0.031 0.000 0.771 403 G HN 0.508 nan 8.290 nan 0.000 0.545 404 D N -0.407 119.930 120.400 -0.105 0.000 2.123 404 D HA -0.052 4.592 4.640 0.006 0.000 0.200 404 D C 2.105 178.069 176.300 -0.559 0.000 0.976 404 D CA 1.053 54.951 54.000 -0.170 0.000 0.831 404 D CB -0.426 40.448 40.800 0.124 0.000 0.974 404 D HN 0.371 nan 8.370 nan 0.000 0.469 405 H N 0.929 119.406 119.070 -0.988 0.000 2.389 405 H HA 0.036 4.595 4.556 0.006 0.000 0.299 405 H C 1.460 176.374 175.328 -0.690 0.000 1.081 405 H CA 1.544 56.844 56.048 -1.246 0.000 1.345 405 H CB 0.108 29.122 29.762 -1.247 0.000 1.393 405 H HN 0.008 nan 8.280 nan 0.000 0.520 406 N N -0.897 117.360 118.700 -0.739 0.000 2.432 406 N HA 0.003 4.747 4.740 0.006 0.000 0.174 406 N C 1.387 176.645 175.510 -0.420 0.000 1.037 406 N CA 1.143 53.688 53.050 -0.840 0.000 0.892 406 N CB 0.947 38.348 38.487 -1.811 0.000 1.049 406 N HN 0.257 nan 8.380 nan 0.000 0.442 407 V N -0.133 119.599 119.914 -0.304 0.000 3.134 407 V HA 0.069 4.193 4.120 0.006 0.000 0.222 407 V C 2.245 178.289 176.094 -0.083 0.000 1.247 407 V CA 0.222 62.473 62.300 -0.081 0.000 1.281 407 V CB -0.243 31.613 31.823 0.054 0.000 1.169 407 V HN -0.165 nan 8.190 nan 0.000 0.512 408 V N 0.052 119.921 119.914 -0.076 0.000 2.332 408 V HA -0.299 3.825 4.120 0.006 0.000 0.248 408 V C 2.485 178.538 176.094 -0.068 0.000 1.055 408 V CA 2.585 64.853 62.300 -0.054 0.000 1.038 408 V CB -0.742 31.079 31.823 -0.004 0.000 0.651 408 V HN 0.669 nan 8.190 nan 0.000 0.450 409 c N -0.715 117.834 118.600 -0.085 0.000 2.475 409 c HA 0.047 4.621 4.570 0.006 0.000 0.279 409 c C 0.502 174.553 174.090 -0.066 0.000 1.322 409 c CA 0.725 57.033 56.329 -0.034 0.000 1.734 409 c CB -1.616 40.905 42.510 0.019 0.000 2.005 409 c HN 0.461 nan 8.230 nan 0.000 0.495 410 P HA -0.059 nan 4.420 nan 0.000 0.217 410 P C 1.744 178.969 177.300 -0.124 0.000 1.150 410 P CA 1.298 64.312 63.100 -0.143 0.000 0.832 410 P CB -0.129 31.443 31.700 -0.214 0.000 0.787 411 V N 0.226 120.070 119.914 -0.118 0.000 2.307 411 V HA -0.251 3.873 4.120 0.006 0.000 0.245 411 V C 2.470 178.467 176.094 -0.162 0.000 1.045 411 V CA 2.264 64.484 62.300 -0.134 0.000 1.024 411 V CB -1.689 30.054 31.823 -0.132 0.000 0.651 411 V HN 0.091 nan 8.190 nan 0.000 0.449 412 A N -0.237 122.501 122.820 -0.136 0.000 1.883 412 A HA -0.366 3.958 4.320 0.006 0.000 0.217 412 A C 2.207 179.750 177.584 -0.068 0.000 1.186 412 A CA 2.511 54.476 52.037 -0.120 0.000 0.624 412 A CB -0.707 18.272 19.000 -0.035 0.000 0.822 412 A HN 0.612 nan 8.150 nan 0.000 0.444 413 Q N -0.641 119.136 119.800 -0.039 0.000 2.096 413 Q HA -0.219 4.125 4.340 0.006 0.000 0.208 413 Q C 1.882 177.856 176.000 -0.044 0.000 0.993 413 Q CA 2.251 58.042 55.803 -0.020 0.000 0.862 413 Q CB -0.484 28.237 28.738 -0.029 0.000 0.915 413 Q HN 0.559 nan 8.270 nan 0.000 0.416 414 L N 0.109 121.277 121.223 -0.092 0.000 2.027 414 L HA -0.006 4.338 4.340 0.006 0.000 0.206 414 L C 2.239 179.032 176.870 -0.128 0.000 1.074 414 L CA 2.253 57.023 54.840 -0.118 0.000 0.745 414 L CB -1.110 40.863 42.059 -0.143 0.000 0.898 414 L HN 0.309 nan 8.230 nan 0.000 0.433 415 A N -0.319 122.396 122.820 -0.175 0.000 1.917 415 A HA -0.145 4.179 4.320 0.006 0.000 0.219 415 A C 2.340 179.916 177.584 -0.012 0.000 1.182 415 A CA 1.843 53.748 52.037 -0.220 0.000 0.633 415 A CB -1.725 16.907 19.000 -0.614 0.000 0.819 415 A HN 0.565 nan 8.150 nan 0.000 0.448 416 G N -0.530 108.309 108.800 0.065 0.000 2.459 416 G HA2 -0.241 3.723 3.960 0.006 0.000 0.217 416 G HA3 -0.241 3.723 3.960 0.006 0.000 0.217 416 G C 1.681 176.652 174.900 0.118 0.000 1.183 416 G CA 0.920 46.132 45.100 0.187 0.000 0.776 416 G HN 0.430 nan 8.290 nan 0.000 0.552 417 R N -0.161 120.379 120.500 0.066 0.000 2.073 417 R HA 0.024 4.368 4.340 0.006 0.000 0.234 417 R C 2.546 178.909 176.300 0.106 0.000 1.134 417 R CA 0.536 56.687 56.100 0.085 0.000 0.952 417 R CB -1.394 28.947 30.300 0.069 0.000 0.850 417 R HN 0.306 nan 8.270 nan 0.000 0.433 418 L N 0.868 122.083 121.223 -0.013 0.000 1.990 418 L HA -0.159 4.185 4.340 0.006 0.000 0.213 418 L C 2.508 179.433 176.870 0.091 0.000 1.072 418 L CA 2.139 56.937 54.840 -0.070 0.000 0.755 418 L CB -1.431 40.506 42.059 -0.203 0.000 0.889 418 L HN 0.206 nan 8.230 nan 0.000 0.432 419 A N -0.837 122.043 122.820 0.100 0.000 1.865 419 A HA -0.171 4.153 4.320 0.006 0.000 0.217 419 A C 2.389 180.040 177.584 0.111 0.000 1.191 419 A CA 2.002 54.111 52.037 0.121 0.000 0.623 419 A CB -1.069 18.040 19.000 0.181 0.000 0.826 419 A HN 0.424 nan 8.150 nan 0.000 0.444 420 A N -1.482 121.406 122.820 0.115 0.000 2.131 420 A HA -0.115 4.209 4.320 0.006 0.000 0.220 420 A C 1.628 179.276 177.584 0.107 0.000 1.158 420 A CA 1.596 53.691 52.037 0.096 0.000 0.665 420 A CB -0.325 18.730 19.000 0.091 0.000 0.795 420 A HN 0.664 nan 8.150 nan 0.000 0.460 421 Q N -2.256 117.641 119.800 0.162 0.000 2.129 421 Q HA 0.403 4.747 4.340 0.006 0.000 0.274 421 Q C 0.752 176.866 176.000 0.189 0.000 0.854 421 Q CA 0.286 56.195 55.803 0.176 0.000 1.123 421 Q CB 0.784 29.671 28.738 0.249 0.000 1.226 421 Q HN 0.712 nan 8.270 nan 0.000 0.454 422 G N 0.225 109.112 108.800 0.145 0.000 2.259 422 G HA2 -0.260 3.704 3.960 0.006 0.000 0.217 422 G HA3 -0.260 3.704 3.960 0.006 0.000 0.217 422 G C 0.367 175.349 174.900 0.137 0.000 1.001 422 G CA -0.274 44.897 45.100 0.119 0.000 0.627 422 G HN 0.536 nan 8.290 nan 0.000 0.501 423 A N 0.374 123.305 122.820 0.185 0.000 2.407 423 A HA 0.698 5.022 4.320 0.006 0.000 0.248 423 A C 0.602 178.239 177.584 0.090 0.000 1.082 423 A CA 0.734 52.858 52.037 0.145 0.000 0.785 423 A CB 0.300 19.368 19.000 0.114 0.000 1.020 423 A HN 0.884 nan 8.150 nan 0.000 0.489 424 R N 1.778 122.330 120.500 0.085 0.000 2.234 424 R HA 0.491 4.835 4.340 0.006 0.000 0.324 424 R C -1.398 174.927 176.300 0.042 0.000 1.054 424 R CA -0.088 56.037 56.100 0.041 0.000 0.912 424 R CB 0.481 30.825 30.300 0.073 0.000 1.030 424 R HN 0.448 nan 8.270 nan 0.000 0.455 425 V N 5.952 125.828 119.914 -0.062 0.000 2.540 425 V HA 0.394 4.518 4.120 0.006 0.000 0.302 425 V C -1.046 174.934 176.094 -0.190 0.000 1.035 425 V CA -0.759 61.523 62.300 -0.031 0.000 0.873 425 V CB 1.361 33.209 31.823 0.041 0.000 0.992 425 V HN 0.663 nan 8.190 nan 0.000 0.428 426 Y N 2.213 122.486 120.300 -0.045 0.000 2.409 426 Y HA 0.820 5.373 4.550 0.006 0.000 0.339 426 Y C 0.361 176.346 175.900 0.142 0.000 1.033 426 Y CA -0.577 57.496 58.100 -0.045 0.000 1.094 426 Y CB 2.199 40.281 38.460 -0.631 0.000 1.210 426 Y HN 0.761 nan 8.280 nan 0.000 0.456 427 A N 2.708 125.917 122.820 0.649 0.000 2.475 427 A HA 0.847 5.171 4.320 0.006 0.000 0.301 427 A C -1.917 176.068 177.584 0.669 0.000 1.059 427 A CA -0.706 51.599 52.037 0.447 0.000 0.710 427 A CB 1.116 20.187 19.000 0.119 0.000 1.288 427 A HN 0.763 nan 8.150 nan 0.000 0.408 428 Y N -0.371 120.168 120.300 0.398 0.000 2.615 428 Y HA 0.817 5.369 4.550 0.004 0.000 0.341 428 Y C -1.135 174.934 175.900 0.281 0.000 1.089 428 Y CA -1.548 56.728 58.100 0.292 0.000 1.049 428 Y CB 1.385 39.994 38.460 0.248 0.000 1.296 428 Y HN 0.747 nan 8.280 nan 0.000 0.470 429 I N 2.853 123.715 120.570 0.486 0.000 2.498 429 I HA 0.483 4.657 4.170 0.006 0.000 0.290 429 I C -1.949 174.507 176.117 0.564 0.000 1.032 429 I CA -1.062 60.489 61.300 0.419 0.000 1.073 429 I CB 1.460 39.642 38.000 0.303 0.000 1.251 429 I HN 0.747 nan 8.210 nan 0.000 0.426 430 F N 7.332 127.564 119.950 0.470 0.000 2.385 430 F HA 0.421 4.952 4.527 0.007 0.000 0.360 430 F C 0.447 176.402 175.800 0.259 0.000 1.122 430 F CA -0.046 58.178 58.000 0.373 0.000 1.090 430 F CB 0.965 40.206 39.000 0.403 0.000 1.150 430 F HN 0.550 nan 8.300 nan 0.000 0.472 431 E N 2.894 123.011 120.200 -0.138 0.000 2.562 431 E HA -0.022 4.332 4.350 0.006 0.000 0.214 431 E C -0.655 175.855 176.600 -0.151 0.000 0.979 431 E CA -0.148 56.230 56.400 -0.037 0.000 1.002 431 E CB 0.254 29.946 29.700 -0.013 0.000 1.048 431 E HN 0.542 nan 8.360 nan 0.000 0.488 432 H N 1.946 120.671 119.070 -0.575 0.000 2.668 432 H HA 0.170 4.729 4.556 0.006 0.000 0.303 432 H C -0.224 175.099 175.328 -0.009 0.000 1.074 432 H CA -0.468 55.328 56.048 -0.420 0.000 1.406 432 H CB 0.470 29.769 29.762 -0.771 0.000 1.442 432 H HN -0.126 nan 8.280 nan 0.000 0.482 433 R N 4.446 124.635 120.500 -0.518 0.000 2.221 433 R HA 0.488 4.832 4.340 0.006 0.000 0.327 433 R C -0.657 175.366 176.300 -0.462 0.000 1.033 433 R CA -0.626 55.305 56.100 -0.281 0.000 0.887 433 R CB 0.426 30.653 30.300 -0.121 0.000 1.057 433 R HN 0.772 nan 8.270 nan 0.000 0.455 434 A N 3.328 126.170 122.820 0.036 0.000 2.546 434 A HA 0.004 4.328 4.320 0.006 0.000 0.243 434 A C 1.380 179.055 177.584 0.151 0.000 1.063 434 A CA 0.504 52.758 52.037 0.361 0.000 0.757 434 A CB 0.268 19.617 19.000 0.583 0.000 0.991 434 A HN 1.037 nan 8.150 nan 0.000 0.503 435 S N 1.536 117.367 115.700 0.219 0.000 2.440 435 S HA -0.179 4.295 4.470 0.006 0.000 0.238 435 S C 1.355 175.947 174.600 -0.014 0.000 1.010 435 S CA 1.746 59.999 58.200 0.090 0.000 0.972 435 S CB -0.791 62.482 63.200 0.121 0.000 0.774 435 S HN 1.370 nan 8.310 nan 0.000 0.501 436 T N -1.307 113.210 114.554 -0.062 0.000 3.086 436 T HA 0.365 4.719 4.350 0.006 0.000 0.250 436 T C 0.333 174.964 174.700 -0.116 0.000 1.074 436 T CA -0.592 61.401 62.100 -0.179 0.000 0.988 436 T CB -0.406 68.204 68.868 -0.429 0.000 0.988 436 T HN 0.223 nan 8.240 nan 0.000 0.530 437 L N 4.040 125.235 121.223 -0.047 0.000 2.490 437 L HA 0.295 4.639 4.340 0.006 0.000 0.274 437 L C 1.546 178.359 176.870 -0.095 0.000 1.201 437 L CA 0.775 55.577 54.840 -0.063 0.000 0.869 437 L CB 0.925 42.957 42.059 -0.045 0.000 1.123 437 L HN 0.447 nan 8.230 nan 0.000 0.484 438 T N -0.452 114.001 114.554 -0.167 0.000 3.044 438 T HA 0.108 4.461 4.350 0.006 0.000 0.250 438 T C 0.369 175.016 174.700 -0.088 0.000 1.081 438 T CA -0.445 61.542 62.100 -0.188 0.000 1.040 438 T CB -0.295 68.334 68.868 -0.398 0.000 0.962 438 T HN 0.403 nan 8.240 nan 0.000 0.506 439 W N 3.337 124.610 121.300 -0.045 0.000 2.161 439 W HA 0.449 5.113 4.660 0.007 0.000 0.344 439 W C -2.046 174.359 176.519 -0.190 0.000 1.262 439 W CA -2.221 55.056 57.345 -0.113 0.000 1.270 439 W CB 0.060 29.361 29.460 -0.266 0.000 1.126 439 W HN -0.055 nan 8.180 nan 0.000 0.598 440 P HA 0.024 nan 4.420 nan 0.000 0.272 440 P C 0.532 177.759 177.300 -0.121 0.000 1.230 440 P CA 0.015 63.078 63.100 -0.062 0.000 0.788 440 P CB 0.867 32.547 31.700 -0.034 0.000 0.949 441 L N 0.473 121.688 121.223 -0.014 0.000 2.127 441 L HA -0.150 4.194 4.340 0.006 0.000 0.211 441 L C 2.620 179.515 176.870 0.043 0.000 1.089 441 L CA 1.495 56.344 54.840 0.014 0.000 0.757 441 L CB -1.032 41.063 42.059 0.061 0.000 0.899 441 L HN 0.610 nan 8.230 nan 0.000 0.434 442 W N -0.374 120.965 121.300 0.064 0.000 2.421 442 W HA -0.174 4.489 4.660 0.005 0.000 0.270 442 W C 1.686 178.259 176.519 0.090 0.000 1.233 442 W CA 0.605 57.994 57.345 0.074 0.000 1.226 442 W CB -0.667 28.839 29.460 0.076 0.000 1.121 442 W HN 0.194 nan 8.180 nan 0.000 0.579 443 M N 1.323 120.572 119.600 -0.585 0.000 2.595 443 M HA 0.132 4.616 4.480 0.006 0.000 0.248 443 M C 1.799 177.991 176.300 -0.180 0.000 1.119 443 M CA 1.211 56.146 55.300 -0.609 0.000 1.079 443 M CB -0.448 31.614 32.600 -0.897 0.000 1.472 443 M HN 0.191 nan 8.290 nan 0.000 0.501 444 G N 0.712 109.472 108.800 -0.067 0.000 2.622 444 G HA2 -0.303 3.661 3.960 0.006 0.000 0.307 444 G HA3 -0.303 3.661 3.960 0.006 0.000 0.307 444 G C -0.100 174.812 174.900 0.020 0.000 1.226 444 G CA -0.033 45.078 45.100 0.017 0.000 0.997 444 G HN 0.242 nan 8.290 nan 0.000 0.551 445 V N 3.699 123.672 119.914 0.097 0.000 2.259 445 V HA 0.459 4.583 4.120 0.006 0.000 0.267 445 V C -1.856 174.374 176.094 0.227 0.000 1.051 445 V CA -0.835 61.573 62.300 0.180 0.000 0.830 445 V CB 1.168 33.157 31.823 0.278 0.000 1.080 445 V HN 0.512 nan 8.190 nan 0.000 0.467 446 P HA 0.191 nan 4.420 nan 0.000 0.276 446 P C -0.178 177.396 177.300 0.458 0.000 1.244 446 P CA -0.539 62.717 63.100 0.260 0.000 0.801 446 P CB 0.365 32.104 31.700 0.065 0.000 1.006 447 H N 1.172 120.403 119.070 0.268 0.000 3.214 447 H HA 0.150 4.710 4.556 0.006 0.000 0.291 447 H C 1.601 176.959 175.328 0.050 0.000 0.926 447 H CA 2.494 58.634 56.048 0.153 0.000 1.409 447 H CB -0.762 29.052 29.762 0.087 0.000 1.406 447 H HN 0.766 nan 8.280 nan 0.000 0.561 448 G N 3.511 112.142 108.800 -0.281 0.000 2.194 448 G HA2 -0.305 3.659 3.960 0.006 0.000 0.236 448 G HA3 -0.305 3.659 3.960 0.006 0.000 0.236 448 G C 0.525 175.345 174.900 -0.134 0.000 0.987 448 G CA 0.321 45.222 45.100 -0.331 0.000 0.635 448 G HN 0.642 nan 8.290 nan 0.000 0.520 449 Y N 1.432 121.847 120.300 0.193 0.000 2.532 449 Y HA 0.278 4.832 4.550 0.006 0.000 0.283 449 Y C 2.202 178.176 175.900 0.124 0.000 1.181 449 Y CA 0.738 58.986 58.100 0.246 0.000 1.256 449 Y CB 0.465 39.113 38.460 0.314 0.000 1.112 449 Y HN 0.482 nan 8.280 nan 0.000 0.521 450 E N 0.115 120.239 120.200 -0.127 0.000 2.364 450 E HA -0.043 4.311 4.350 0.006 0.000 0.196 450 E C 1.589 178.081 176.600 -0.179 0.000 0.990 450 E CA 0.580 56.573 56.400 -0.678 0.000 0.886 450 E CB -0.340 28.597 29.700 -1.272 0.000 0.866 450 E HN 0.541 nan 8.360 nan 0.000 0.493 451 I N 2.849 123.404 120.570 -0.025 0.000 2.151 451 I HA -0.321 3.853 4.170 0.006 0.000 0.243 451 I C 2.679 178.806 176.117 0.016 0.000 1.080 451 I CA 2.216 63.545 61.300 0.048 0.000 1.339 451 I CB -0.553 37.538 38.000 0.152 0.000 1.039 451 I HN 0.221 nan 8.210 nan 0.000 0.409 452 E N 1.012 121.172 120.200 -0.068 0.000 2.209 452 E HA -0.234 4.120 4.350 0.006 0.000 0.196 452 E C 2.018 178.391 176.600 -0.378 0.000 0.993 452 E CA 1.491 57.744 56.400 -0.244 0.000 0.819 452 E CB -0.505 29.023 29.700 -0.287 0.000 0.745 452 E HN 0.460 nan 8.360 nan 0.000 0.477 453 F N 1.256 121.111 119.950 -0.158 0.000 2.187 453 F HA -0.005 4.527 4.527 0.009 0.000 0.295 453 F C 2.345 177.934 175.800 -0.351 0.000 1.091 453 F CA 0.422 58.276 58.000 -0.244 0.000 1.308 453 F CB -0.130 38.810 39.000 -0.099 0.000 1.030 453 F HN -0.052 nan 8.300 nan 0.000 0.487 454 I N -0.673 119.759 120.570 -0.229 0.000 2.264 454 I HA -0.301 3.873 4.170 0.006 0.000 0.248 454 I C 2.015 177.887 176.117 -0.407 0.000 1.111 454 I CA 1.777 62.768 61.300 -0.515 0.000 1.382 454 I CB -1.393 36.188 38.000 -0.699 0.000 1.060 454 I HN 0.104 nan 8.210 nan 0.000 0.418 455 F N 0.720 120.491 119.950 -0.298 0.000 2.789 455 F HA 0.238 4.769 4.527 0.007 0.000 0.300 455 F C 1.872 177.535 175.800 -0.229 0.000 1.132 455 F CA 0.741 58.607 58.000 -0.224 0.000 1.404 455 F CB -0.170 38.687 39.000 -0.238 0.000 1.114 455 F HN 0.273 nan 8.300 nan 0.000 0.584 456 G N 0.264 108.920 108.800 -0.239 0.000 2.147 456 G HA2 -0.312 3.652 3.960 0.006 0.000 0.244 456 G HA3 -0.312 3.652 3.960 0.006 0.000 0.244 456 G C 1.001 175.349 174.900 -0.921 0.000 1.005 456 G CA 0.354 45.189 45.100 -0.441 0.000 0.713 456 G HN 0.298 nan 8.290 nan 0.000 0.515 457 L N 0.404 121.129 121.223 -0.830 0.000 2.081 457 L HA -0.011 4.333 4.340 0.006 0.000 0.212 457 L C 0.479 176.815 176.870 -0.890 0.000 1.080 457 L CA 2.819 57.108 54.840 -0.918 0.000 0.754 457 L CB -0.994 40.768 42.059 -0.495 0.000 0.893 457 L HN 0.229 nan 8.230 nan 0.000 0.433 458 P HA -0.148 nan 4.420 nan 0.000 0.223 458 P C 1.625 178.665 177.300 -0.435 0.000 1.144 458 P CA 0.826 63.320 63.100 -1.011 0.000 0.783 458 P CB 0.052 31.137 31.700 -1.024 0.000 0.771 459 L N -0.949 119.966 121.223 -0.515 0.000 2.275 459 L HA -0.048 4.296 4.340 0.006 0.000 0.215 459 L C 1.028 177.801 176.870 -0.162 0.000 1.119 459 L CA 1.221 55.881 54.840 -0.300 0.000 0.790 459 L CB -1.313 40.578 42.059 -0.281 0.000 0.919 459 L HN 0.001 nan 8.230 nan 0.000 0.443 460 D N 0.079 120.342 120.400 -0.229 0.000 2.342 460 D HA 0.027 4.671 4.640 0.006 0.000 0.260 460 D C -1.573 174.744 176.300 0.028 0.000 1.278 460 D CA -1.597 52.413 54.000 0.017 0.000 0.910 460 D CB 1.563 42.417 40.800 0.090 0.000 1.079 460 D HN 0.011 nan 8.370 nan 0.000 0.496 461 P HA -0.163 nan 4.420 nan 0.000 0.216 461 P C 1.177 178.495 177.300 0.030 0.000 1.150 461 P CA 1.125 64.245 63.100 0.034 0.000 0.843 461 P CB 0.030 31.748 31.700 0.029 0.000 0.787 462 S N -1.722 113.994 115.700 0.026 0.000 2.660 462 S HA 0.031 4.505 4.470 0.006 0.000 0.228 462 S C 1.467 176.062 174.600 -0.008 0.000 0.966 462 S CA 0.379 58.583 58.200 0.006 0.000 0.940 462 S CB -1.307 61.895 63.200 0.004 0.000 0.773 462 S HN 0.095 nan 8.310 nan 0.000 0.535 463 L N 0.033 121.265 121.223 0.016 0.000 2.554 463 L HA 0.270 4.614 4.340 0.006 0.000 0.225 463 L C 0.371 177.158 176.870 -0.139 0.000 1.104 463 L CA -0.057 54.774 54.840 -0.016 0.000 0.866 463 L CB -0.424 41.717 42.059 0.137 0.000 1.047 463 L HN 0.244 nan 8.230 nan 0.000 0.468 464 N N -1.887 116.776 118.700 -0.063 0.000 2.901 464 N HA -0.203 4.541 4.740 0.006 0.000 0.248 464 N C -0.364 175.073 175.510 -0.123 0.000 1.044 464 N CA 0.731 53.719 53.050 -0.103 0.000 0.847 464 N CB -1.689 36.704 38.487 -0.157 0.000 1.127 464 N HN 0.235 nan 8.380 nan 0.000 0.562 465 Y N 1.213 121.498 120.300 -0.025 0.000 2.426 465 Y HA 0.151 4.705 4.550 0.006 0.000 0.344 465 Y C 1.997 177.920 175.900 0.037 0.000 1.256 465 Y CA 0.498 58.609 58.100 0.019 0.000 1.451 465 Y CB 0.372 38.830 38.460 -0.003 0.000 1.342 465 Y HN 0.091 nan 8.280 nan 0.000 0.600 466 T N -2.618 112.080 114.554 0.240 0.000 2.813 466 T HA 0.045 4.399 4.350 0.006 0.000 0.297 466 T C 1.109 175.891 174.700 0.136 0.000 1.036 466 T CA -0.305 61.885 62.100 0.150 0.000 1.044 466 T CB 0.849 69.798 68.868 0.134 0.000 0.993 466 T HN 0.719 nan 8.240 nan 0.000 0.535 467 T N 1.374 115.978 114.554 0.083 0.000 2.788 467 T HA -0.074 4.280 4.350 0.006 0.000 0.268 467 T C 1.765 176.500 174.700 0.059 0.000 1.044 467 T CA 1.731 63.867 62.100 0.060 0.000 1.139 467 T CB -0.383 68.508 68.868 0.038 0.000 0.867 467 T HN 0.766 nan 8.240 nan 0.000 0.454 468 E N 1.355 121.586 120.200 0.053 0.000 2.110 468 E HA -0.096 4.258 4.350 0.006 0.000 0.193 468 E C 2.192 178.828 176.600 0.060 0.000 0.988 468 E CA 0.948 57.364 56.400 0.027 0.000 0.804 468 E CB -0.196 29.493 29.700 -0.018 0.000 0.745 468 E HN 0.570 nan 8.360 nan 0.000 0.458 469 E N 0.380 120.656 120.200 0.127 0.000 2.072 469 E HA -0.166 4.188 4.350 0.006 0.000 0.191 469 E C 2.136 178.864 176.600 0.213 0.000 0.985 469 E CA 0.679 57.241 56.400 0.269 0.000 0.801 469 E CB -0.051 29.940 29.700 0.485 0.000 0.750 469 E HN 0.115 nan 8.360 nan 0.000 0.452 470 R N 0.952 121.512 120.500 0.101 0.000 2.080 470 R HA -0.174 4.170 4.340 0.006 0.000 0.236 470 R C 2.260 178.569 176.300 0.015 0.000 1.137 470 R CA 1.469 57.572 56.100 0.006 0.000 0.943 470 R CB -0.291 30.010 30.300 0.002 0.000 0.846 470 R HN 0.134 nan 8.270 nan 0.000 0.431 471 I N 0.351 120.950 120.570 0.047 0.000 2.286 471 I HA -0.271 3.903 4.170 0.006 0.000 0.248 471 I C 2.210 178.374 176.117 0.078 0.000 1.115 471 I CA 0.990 62.315 61.300 0.041 0.000 1.392 471 I CB -0.334 37.690 38.000 0.039 0.000 1.065 471 I HN 0.207 nan 8.210 nan 0.000 0.418 472 F N 1.885 121.799 119.950 -0.061 0.000 2.102 472 F HA -0.228 4.302 4.527 0.005 0.000 0.298 472 F C 2.440 178.225 175.800 -0.024 0.000 1.105 472 F CA 1.285 59.237 58.000 -0.080 0.000 1.239 472 F CB -0.696 38.194 39.000 -0.184 0.000 0.991 472 F HN 0.024 nan 8.300 nan 0.000 0.474 473 A N 0.022 122.784 122.820 -0.098 0.000 1.908 473 A HA -0.252 4.072 4.320 0.006 0.000 0.218 473 A C 2.161 179.616 177.584 -0.215 0.000 1.181 473 A CA 1.866 53.784 52.037 -0.199 0.000 0.627 473 A CB -0.945 17.957 19.000 -0.163 0.000 0.818 473 A HN 0.597 nan 8.150 nan 0.000 0.445 474 Q N -0.731 118.984 119.800 -0.142 0.000 2.096 474 Q HA -0.199 4.145 4.340 0.006 0.000 0.204 474 Q C 2.389 178.290 176.000 -0.165 0.000 0.982 474 Q CA 1.732 57.460 55.803 -0.125 0.000 0.850 474 Q CB -0.200 28.492 28.738 -0.076 0.000 0.901 474 Q HN 0.628 nan 8.270 nan 0.000 0.422 475 R N 0.243 120.633 120.500 -0.183 0.000 2.083 475 R HA -0.135 4.209 4.340 0.006 0.000 0.237 475 R C 2.354 178.404 176.300 -0.417 0.000 1.137 475 R CA 1.281 57.197 56.100 -0.306 0.000 0.951 475 R CB -0.421 29.777 30.300 -0.170 0.000 0.851 475 R HN 0.255 nan 8.270 nan 0.000 0.434 476 L N 0.142 121.199 121.223 -0.277 0.000 2.046 476 L HA -0.194 4.150 4.340 0.006 0.000 0.208 476 L C 2.559 179.392 176.870 -0.063 0.000 1.077 476 L CA 1.393 56.161 54.840 -0.119 0.000 0.747 476 L CB -0.367 41.455 42.059 -0.396 0.000 0.896 476 L HN 0.248 nan 8.230 nan 0.000 0.432 477 M N -0.905 118.599 119.600 -0.159 0.000 2.213 477 M HA -0.182 4.302 4.480 0.006 0.000 0.263 477 M C 2.296 178.592 176.300 -0.005 0.000 1.062 477 M CA 1.449 56.690 55.300 -0.098 0.000 1.105 477 M CB -0.272 32.255 32.600 -0.122 0.000 1.385 477 M HN 0.065 nan 8.290 nan 0.000 0.417 478 K N 0.011 120.366 120.400 -0.075 0.000 2.002 478 K HA -0.136 4.188 4.320 0.006 0.000 0.209 478 K C 1.906 178.541 176.600 0.058 0.000 1.048 478 K CA 1.770 58.015 56.287 -0.071 0.000 0.930 478 K CB -0.584 31.797 32.500 -0.198 0.000 0.714 478 K HN 0.302 nan 8.250 nan 0.000 0.438 479 Y N -0.046 120.378 120.300 0.207 0.000 2.081 479 Y HA -0.267 4.288 4.550 0.009 0.000 0.280 479 Y C 2.503 178.532 175.900 0.215 0.000 1.163 479 Y CA 1.018 59.277 58.100 0.265 0.000 1.135 479 Y CB -0.909 37.864 38.460 0.522 0.000 0.970 479 Y HN 0.257 nan 8.280 nan 0.000 0.498 480 W N 0.576 121.939 121.300 0.106 0.000 2.354 480 W HA -0.244 4.419 4.660 0.005 0.000 0.315 480 W C 2.604 179.114 176.519 -0.016 0.000 1.206 480 W CA 2.303 59.645 57.345 -0.005 0.000 1.290 480 W CB -0.731 28.653 29.460 -0.127 0.000 1.152 480 W HN 0.251 nan 8.180 nan 0.000 0.489 481 T N -1.795 112.857 114.554 0.162 0.000 2.821 481 T HA -0.170 4.184 4.350 0.006 0.000 0.267 481 T C 1.422 176.139 174.700 0.028 0.000 1.046 481 T CA 1.349 63.478 62.100 0.049 0.000 1.139 481 T CB -0.648 68.232 68.868 0.019 0.000 0.871 481 T HN -0.077 nan 8.240 nan 0.000 0.454 482 N N 0.950 119.681 118.700 0.052 0.000 2.120 482 N HA -0.008 4.736 4.740 0.006 0.000 0.188 482 N C 1.353 176.848 175.510 -0.024 0.000 1.024 482 N CA 1.078 54.139 53.050 0.017 0.000 0.852 482 N CB -0.663 37.851 38.487 0.046 0.000 1.003 482 N HN 0.543 nan 8.380 nan 0.000 0.424 483 F N 1.370 121.216 119.950 -0.174 0.000 2.186 483 F HA 0.031 4.562 4.527 0.006 0.000 0.299 483 F C 2.104 177.802 175.800 -0.170 0.000 1.090 483 F CA 1.085 58.930 58.000 -0.259 0.000 1.307 483 F CB -0.292 38.453 39.000 -0.425 0.000 1.019 483 F HN 0.016 nan 8.300 nan 0.000 0.489 484 A N 0.845 123.583 122.820 -0.136 0.000 1.902 484 A HA -0.176 4.148 4.320 0.006 0.000 0.217 484 A C 2.356 179.821 177.584 -0.198 0.000 1.181 484 A CA 1.746 53.679 52.037 -0.174 0.000 0.623 484 A CB -0.709 18.255 19.000 -0.060 0.000 0.818 484 A HN 0.451 nan 8.150 nan 0.000 0.443 485 R N -1.199 119.217 120.500 -0.141 0.000 2.075 485 R HA -0.077 4.267 4.340 0.006 0.000 0.232 485 R C 2.091 178.299 176.300 -0.154 0.000 1.126 485 R CA 1.891 57.921 56.100 -0.116 0.000 0.963 485 R CB -0.244 30.015 30.300 -0.068 0.000 0.858 485 R HN 0.730 nan 8.270 nan 0.000 0.435 486 T N -5.312 109.126 114.554 -0.193 0.000 2.975 486 T HA 0.229 4.583 4.350 0.006 0.000 0.261 486 T C 1.114 175.676 174.700 -0.231 0.000 0.984 486 T CA 0.409 62.408 62.100 -0.167 0.000 0.911 486 T CB 1.322 70.129 68.868 -0.102 0.000 1.127 486 T HN 0.334 nan 8.240 nan 0.000 0.514 487 G N 1.310 109.838 108.800 -0.454 0.000 2.147 487 G HA2 -0.148 3.816 3.960 0.006 0.000 0.244 487 G HA3 -0.148 3.816 3.960 0.006 0.000 0.244 487 G C -0.392 174.393 174.900 -0.191 0.000 1.005 487 G CA 0.191 44.936 45.100 -0.592 0.000 0.713 487 G HN 0.803 nan 8.290 nan 0.000 0.515 488 D N -0.812 119.475 120.400 -0.188 0.000 2.616 488 D HA 0.382 5.026 4.640 0.006 0.000 0.238 488 D C -1.369 174.763 176.300 -0.280 0.000 1.354 488 D CA -1.373 52.478 54.000 -0.248 0.000 0.970 488 D CB 1.938 42.694 40.800 -0.074 0.000 1.369 488 D HN -0.006 nan 8.370 nan 0.000 0.585 489 P HA -0.072 nan 4.420 nan 0.000 0.226 489 P C 0.077 177.403 177.300 0.044 0.000 1.153 489 P CA 0.217 63.140 63.100 -0.295 0.000 0.777 489 P CB 0.387 31.588 31.700 -0.831 0.000 0.794 490 N N 1.756 120.446 118.700 -0.016 0.000 2.513 490 N HA 0.006 4.750 4.740 0.006 0.000 0.268 490 N C 0.168 175.743 175.510 0.108 0.000 1.180 490 N CA 0.368 53.504 53.050 0.143 0.000 0.948 490 N CB 0.523 39.089 38.487 0.133 0.000 1.083 490 N HN 0.073 nan 8.380 nan 0.000 0.455 491 D N 2.114 122.592 120.400 0.129 0.000 2.383 491 D HA 0.072 4.716 4.640 0.006 0.000 0.252 491 D C -1.420 174.916 176.300 0.061 0.000 1.166 491 D CA -1.421 52.623 54.000 0.073 0.000 0.879 491 D CB 1.350 42.186 40.800 0.059 0.000 1.164 491 D HN 0.259 nan 8.370 nan 0.000 0.462 492 P HA -0.083 nan 4.420 nan 0.000 0.217 492 P C 1.006 178.327 177.300 0.035 0.000 1.150 492 P CA 1.210 64.330 63.100 0.034 0.000 0.832 492 P CB 0.444 32.156 31.700 0.019 0.000 0.787 493 R N -0.583 119.936 120.500 0.031 0.000 2.046 493 R HA 0.022 4.366 4.340 0.006 0.000 0.223 493 R C 1.025 177.347 176.300 0.037 0.000 1.179 493 R CA 0.665 56.783 56.100 0.029 0.000 0.952 493 R CB -1.378 28.935 30.300 0.022 0.000 0.843 493 R HN 0.034 nan 8.270 nan 0.000 0.439 494 D N 1.591 122.015 120.400 0.039 0.000 2.483 494 D HA -0.048 4.596 4.640 0.006 0.000 0.261 494 D C 0.201 176.539 176.300 0.063 0.000 1.318 494 D CA 0.094 54.121 54.000 0.046 0.000 1.201 494 D CB 0.235 41.060 40.800 0.042 0.000 1.127 494 D HN 0.275 nan 8.370 nan 0.000 0.519 495 S N 1.257 116.992 115.700 0.058 0.000 2.556 495 S HA 0.059 4.533 4.470 0.006 0.000 0.216 495 S C 1.887 176.524 174.600 0.061 0.000 0.970 495 S CA 0.165 58.405 58.200 0.066 0.000 0.912 495 S CB 0.286 63.520 63.200 0.058 0.000 0.790 495 S HN 0.382 nan 8.310 nan 0.000 0.504 496 K N 1.501 121.933 120.400 0.053 0.000 2.296 496 K HA 0.309 4.633 4.320 0.006 0.000 0.200 496 K C 1.107 177.740 176.600 0.055 0.000 1.048 496 K CA 0.928 57.243 56.287 0.047 0.000 0.966 496 K CB -0.694 31.828 32.500 0.037 0.000 0.754 496 K HN 0.445 nan 8.250 nan 0.000 0.466 497 S N 1.567 117.308 115.700 0.069 0.000 2.601 497 S HA 0.427 4.901 4.470 0.006 0.000 0.271 497 S C -2.427 172.236 174.600 0.105 0.000 1.305 497 S CA -1.282 56.970 58.200 0.086 0.000 1.022 497 S CB 1.397 64.659 63.200 0.102 0.000 0.940 497 S HN 0.319 nan 8.310 nan 0.000 0.525 498 P HA 0.107 nan 4.420 nan 0.000 0.267 498 P C -0.534 176.855 177.300 0.149 0.000 1.200 498 P CA -0.214 62.947 63.100 0.102 0.000 0.772 498 P CB 0.385 32.130 31.700 0.075 0.000 0.855 499 Q N 0.757 120.646 119.800 0.149 0.000 2.221 499 Q HA 0.233 4.577 4.340 0.006 0.000 0.242 499 Q C -0.782 175.380 176.000 0.271 0.000 0.940 499 Q CA -0.065 55.864 55.803 0.211 0.000 0.896 499 Q CB 1.123 29.970 28.738 0.181 0.000 1.226 499 Q HN 0.566 nan 8.270 nan 0.000 0.463 500 W N 5.562 126.935 121.300 0.121 0.000 2.282 500 W HA 0.339 5.002 4.660 0.005 0.000 0.322 500 W C -2.492 174.177 176.519 0.250 0.000 1.011 500 W CA -2.653 54.776 57.345 0.139 0.000 1.392 500 W CB 0.542 30.041 29.460 0.066 0.000 1.215 500 W HN 0.361 nan 8.180 nan 0.000 0.394 501 P HA 0.164 nan 4.420 nan 0.000 0.271 501 P C -2.512 174.981 177.300 0.321 0.000 1.218 501 P CA -1.182 62.128 63.100 0.350 0.000 0.780 501 P CB 0.698 32.524 31.700 0.210 0.000 0.901 502 P HA 0.063 nan 4.420 nan 0.000 0.270 502 P C -0.601 176.682 177.300 -0.028 0.000 1.223 502 P CA 0.162 63.033 63.100 -0.383 0.000 0.785 502 P CB 0.118 31.573 31.700 -0.408 0.000 0.923 503 Y N 1.951 122.188 120.300 -0.105 0.000 2.335 503 Y HA 0.405 4.964 4.550 0.014 0.000 0.331 503 Y C 0.300 176.193 175.900 -0.011 0.000 1.094 503 Y CA 0.474 58.587 58.100 0.023 0.000 1.253 503 Y CB 0.440 38.940 38.460 0.067 0.000 1.203 503 Y HN 0.394 nan 8.280 nan 0.000 0.508 504 T N 0.049 114.319 114.554 -0.474 0.000 2.906 504 T HA 0.243 4.597 4.350 0.006 0.000 0.295 504 T C 0.883 175.335 174.700 -0.414 0.000 1.075 504 T CA -0.203 61.725 62.100 -0.288 0.000 1.005 504 T CB 1.219 69.997 68.868 -0.151 0.000 1.136 504 T HN 0.665 nan 8.240 nan 0.000 0.498 505 T N -0.366 114.100 114.554 -0.148 0.000 2.746 505 T HA -0.063 4.291 4.350 0.006 0.000 0.267 505 T C 2.277 176.920 174.700 -0.094 0.000 1.039 505 T CA 1.176 63.230 62.100 -0.078 0.000 1.142 505 T CB -0.966 67.906 68.868 0.007 0.000 0.866 505 T HN 0.896 nan 8.240 nan 0.000 0.444 506 A N 2.058 124.827 122.820 -0.085 0.000 1.845 506 A HA 0.394 4.717 4.320 0.006 0.000 0.215 506 A C 2.696 180.235 177.584 -0.075 0.000 1.195 506 A CA 1.955 53.957 52.037 -0.059 0.000 0.616 506 A CB -1.268 17.707 19.000 -0.041 0.000 0.832 506 A HN 0.801 nan 8.150 nan 0.000 0.443 507 A N -2.126 120.625 122.820 -0.114 0.000 2.220 507 A HA 0.303 4.627 4.320 0.006 0.000 0.211 507 A C 0.817 178.321 177.584 -0.134 0.000 1.176 507 A CA 0.737 52.718 52.037 -0.093 0.000 0.834 507 A CB -0.276 18.686 19.000 -0.063 0.000 0.868 507 A HN 0.580 nan 8.150 nan 0.000 0.488 508 Q N 0.121 119.720 119.800 -0.336 0.000 2.423 508 Q HA -0.233 4.111 4.340 0.006 0.000 0.332 508 Q C -0.714 175.247 176.000 -0.065 0.000 1.355 508 Q CA 0.722 56.222 55.803 -0.504 0.000 0.947 508 Q CB -1.723 26.952 28.738 -0.106 0.000 1.189 508 Q HN 0.820 nan 8.270 nan 0.000 0.418 509 Q N 0.471 120.240 119.800 -0.052 0.000 2.259 509 Q HA 0.563 4.907 4.340 0.006 0.000 0.249 509 Q C -0.464 175.812 176.000 0.460 0.000 0.914 509 Q CA -0.325 55.578 55.803 0.168 0.000 0.904 509 Q CB 0.791 29.574 28.738 0.075 0.000 1.213 509 Q HN 0.370 nan 8.270 nan 0.000 0.428 510 Y N -1.770 118.669 120.300 0.232 0.000 2.655 510 Y HA 0.718 5.277 4.550 0.015 0.000 0.336 510 Y C -1.084 174.835 175.900 0.031 0.000 1.154 510 Y CA -1.540 56.696 58.100 0.227 0.000 1.055 510 Y CB 0.469 39.064 38.460 0.224 0.000 1.295 510 Y HN 0.364 nan 8.280 nan 0.000 0.465 511 V N -0.359 119.477 119.914 -0.129 0.000 2.881 511 V HA 0.841 4.965 4.120 0.006 0.000 0.316 511 V C -0.199 175.806 176.094 -0.148 0.000 1.070 511 V CA -0.617 61.455 62.300 -0.379 0.000 0.976 511 V CB 1.290 32.628 31.823 -0.808 0.000 1.038 511 V HN 1.134 nan 8.190 nan 0.000 0.446 512 S N 3.494 119.103 115.700 -0.152 0.000 2.513 512 S HA 0.697 5.171 4.470 0.006 0.000 0.276 512 S C -0.479 174.082 174.600 -0.065 0.000 1.254 512 S CA -0.656 57.528 58.200 -0.027 0.000 1.053 512 S CB 0.584 63.761 63.200 -0.037 0.000 0.958 512 S HN 0.731 nan 8.310 nan 0.000 0.491 513 L N 4.196 125.427 121.223 0.013 0.000 2.277 513 L HA 0.510 4.854 4.340 0.006 0.000 0.284 513 L C -0.184 176.609 176.870 -0.129 0.000 1.028 513 L CA -0.383 54.481 54.840 0.041 0.000 0.835 513 L CB 0.004 42.160 42.059 0.163 0.000 1.215 513 L HN 0.937 nan 8.230 nan 0.000 0.425 514 N N 2.043 120.603 118.700 -0.235 0.000 3.449 514 N HA 0.318 5.062 4.740 0.006 0.000 0.312 514 N C 0.227 175.182 175.510 -0.924 0.000 1.582 514 N CA -0.959 51.669 53.050 -0.704 0.000 0.850 514 N CB 0.595 38.847 38.487 -0.391 0.000 1.822 514 N HN 0.164 nan 8.380 nan 0.000 0.577 515 L N -0.885 119.823 121.223 -0.858 0.000 2.201 515 L HA 0.049 4.393 4.340 0.006 0.000 0.212 515 L C 0.572 177.265 176.870 -0.296 0.000 1.105 515 L CA 1.090 55.544 54.840 -0.644 0.000 0.775 515 L CB -0.509 41.270 42.059 -0.467 0.000 0.913 515 L HN 0.443 nan 8.230 nan 0.000 0.440 516 K N -0.097 120.170 120.400 -0.222 0.000 2.138 516 K HA 0.220 4.544 4.320 0.006 0.000 0.251 516 K C -2.178 174.383 176.600 -0.064 0.000 1.015 516 K CA -1.693 54.526 56.287 -0.112 0.000 0.917 516 K CB 0.106 32.552 32.500 -0.091 0.000 1.021 516 K HN -0.188 nan 8.250 nan 0.000 0.485 517 P HA -0.001 nan 4.420 nan 0.000 0.272 517 P C -0.432 176.875 177.300 0.012 0.000 1.230 517 P CA -0.290 62.825 63.100 0.025 0.000 0.788 517 P CB 0.412 32.127 31.700 0.026 0.000 0.949 518 L N 1.452 122.701 121.223 0.044 0.000 2.678 518 L HA -0.106 4.238 4.340 0.006 0.000 0.285 518 L C 1.067 177.904 176.870 -0.056 0.000 1.233 518 L CA 1.058 55.880 54.840 -0.030 0.000 0.920 518 L CB -0.281 41.767 42.059 -0.018 0.000 1.176 518 L HN 0.523 nan 8.230 nan 0.000 0.495 519 E N 3.584 123.721 120.200 -0.104 0.000 2.224 519 E HA 0.387 4.741 4.350 0.006 0.000 0.265 519 E C -1.358 175.142 176.600 -0.165 0.000 0.878 519 E CA -0.790 55.549 56.400 -0.102 0.000 0.759 519 E CB 2.017 31.668 29.700 -0.083 0.000 1.164 519 E HN 0.296 nan 8.360 nan 0.000 0.414 520 V N 4.802 124.631 119.914 -0.143 0.000 2.583 520 V HA 0.408 4.532 4.120 0.006 0.000 0.287 520 V C 0.351 176.295 176.094 -0.250 0.000 1.051 520 V CA -0.130 62.057 62.300 -0.188 0.000 1.010 520 V CB 0.986 32.757 31.823 -0.087 0.000 0.988 520 V HN 0.694 nan 8.190 nan 0.000 0.478 521 R N 3.806 124.024 120.500 -0.469 0.000 2.888 521 R HA 0.728 5.072 4.340 0.006 0.000 0.266 521 R C -0.958 175.136 176.300 -0.344 0.000 1.020 521 R CA -1.060 54.747 56.100 -0.489 0.000 0.963 521 R CB 2.456 32.319 30.300 -0.728 0.000 1.197 521 R HN 0.577 nan 8.270 nan 0.000 0.481 522 R N 0.165 120.645 120.500 -0.032 0.000 2.534 522 R HA 0.490 4.834 4.340 0.006 0.000 0.301 522 R C -0.710 175.771 176.300 0.301 0.000 0.961 522 R CA -0.572 55.614 56.100 0.142 0.000 0.871 522 R CB 2.175 32.514 30.300 0.064 0.000 1.170 522 R HN 0.906 nan 8.270 nan 0.000 0.446 523 G N 2.281 111.299 108.800 0.362 0.000 3.396 523 G HA2 -0.208 3.756 3.960 0.006 0.000 0.682 523 G HA3 -0.208 3.756 3.960 0.006 0.000 0.682 523 G C -1.153 173.924 174.900 0.295 0.000 0.924 523 G CA -0.934 44.343 45.100 0.295 0.000 0.770 523 G HN 0.331 nan 8.290 nan 0.000 0.484 524 L N 4.329 125.630 121.223 0.130 0.000 2.288 524 L HA 0.533 4.877 4.340 0.006 0.000 0.283 524 L C 1.583 178.467 176.870 0.023 0.000 1.072 524 L CA -0.504 54.267 54.840 -0.114 0.000 0.862 524 L CB 0.208 42.103 42.059 -0.274 0.000 1.245 524 L HN 0.725 nan 8.230 nan 0.000 0.432 525 R N 2.703 123.248 120.500 0.076 0.000 3.387 525 R HA -0.283 4.061 4.340 0.006 0.000 0.254 525 R C 1.362 177.752 176.300 0.150 0.000 1.006 525 R CA 0.710 56.889 56.100 0.132 0.000 0.677 525 R CB -2.062 28.326 30.300 0.148 0.000 1.063 525 R HN 0.750 nan 8.270 nan 0.000 0.453 526 A N 0.512 123.419 122.820 0.144 0.000 1.873 526 A HA -0.306 4.018 4.320 0.006 0.000 0.218 526 A C 2.087 179.760 177.584 0.148 0.000 1.193 526 A CA 1.880 54.002 52.037 0.143 0.000 0.629 526 A CB -0.245 18.835 19.000 0.133 0.000 0.826 526 A HN 0.431 nan 8.150 nan 0.000 0.447 527 Q N -0.818 119.067 119.800 0.142 0.000 2.020 527 Q HA -0.109 4.234 4.340 0.006 0.000 0.202 527 Q C 2.225 178.338 176.000 0.188 0.000 0.982 527 Q CA 2.544 58.434 55.803 0.144 0.000 0.838 527 Q CB -0.900 27.910 28.738 0.120 0.000 0.899 527 Q HN 0.624 nan 8.270 nan 0.000 0.423 528 T N -0.785 113.899 114.554 0.217 0.000 2.821 528 T HA -0.130 4.224 4.350 0.006 0.000 0.267 528 T C 1.871 176.761 174.700 0.316 0.000 1.046 528 T CA 1.283 63.523 62.100 0.234 0.000 1.139 528 T CB -0.482 68.560 68.868 0.290 0.000 0.871 528 T HN 0.355 nan 8.240 nan 0.000 0.454 529 c N 1.598 120.389 118.600 0.318 0.000 2.432 529 c HA 0.223 4.797 4.570 0.006 0.000 0.282 529 c C 3.099 177.345 174.090 0.259 0.000 1.388 529 c CA 0.023 56.556 56.329 0.341 0.000 1.777 529 c CB -1.424 41.221 42.510 0.224 0.000 1.882 529 c HN 0.640 nan 8.230 nan 0.000 0.520 530 A N 0.064 123.005 122.820 0.202 0.000 1.933 530 A HA -0.171 4.153 4.320 0.006 0.000 0.218 530 A C 1.846 179.526 177.584 0.161 0.000 1.175 530 A CA 1.474 53.606 52.037 0.159 0.000 0.628 530 A CB -0.734 18.347 19.000 0.135 0.000 0.814 530 A HN 0.560 nan 8.150 nan 0.000 0.444 531 F N -0.741 119.198 119.950 -0.017 0.000 2.075 531 F HA -0.174 4.356 4.527 0.005 0.000 0.297 531 F C 1.954 177.698 175.800 -0.093 0.000 1.113 531 F CA 1.796 59.712 58.000 -0.141 0.000 1.218 531 F CB -0.556 38.112 39.000 -0.552 0.000 0.984 531 F HN 0.374 nan 8.300 nan 0.000 0.472 532 W N 0.648 121.910 121.300 -0.064 0.000 2.381 532 W HA -0.138 4.525 4.660 0.004 0.000 0.301 532 W C 2.223 178.672 176.519 -0.118 0.000 1.205 532 W CA 1.027 58.286 57.345 -0.144 0.000 1.285 532 W CB -0.558 28.953 29.460 0.085 0.000 1.133 532 W HN -0.016 nan 8.180 nan 0.000 0.521 533 N N -0.371 118.439 118.700 0.183 0.000 2.368 533 N HA 0.023 4.767 4.740 0.006 0.000 0.176 533 N C 1.533 177.069 175.510 0.043 0.000 1.021 533 N CA 0.986 54.097 53.050 0.102 0.000 0.888 533 N CB -0.282 38.267 38.487 0.104 0.000 0.995 533 N HN 0.220 nan 8.380 nan 0.000 0.437 534 R N -1.060 119.468 120.500 0.046 0.000 2.119 534 R HA 0.223 4.567 4.340 0.006 0.000 0.202 534 R C 1.584 177.904 176.300 0.033 0.000 1.114 534 R CA 0.121 56.249 56.100 0.047 0.000 1.089 534 R CB -0.280 30.071 30.300 0.085 0.000 1.000 534 R HN 0.057 nan 8.270 nan 0.000 0.487 535 F N 1.473 121.340 119.950 -0.138 0.000 2.149 535 F HA 0.019 4.550 4.527 0.007 0.000 0.294 535 F C 1.913 177.560 175.800 -0.256 0.000 1.095 535 F CA 0.880 58.779 58.000 -0.169 0.000 1.276 535 F CB -0.206 38.709 39.000 -0.141 0.000 1.023 535 F HN -0.116 nan 8.300 nan 0.000 0.480 536 L N 1.297 122.184 121.223 -0.560 0.000 2.013 536 L HA -0.156 4.188 4.340 0.006 0.000 0.212 536 L C -0.450 176.163 176.870 -0.429 0.000 1.073 536 L CA 2.455 56.909 54.840 -0.643 0.000 0.753 536 L CB -2.339 39.376 42.059 -0.573 0.000 0.890 536 L HN 0.075 nan 8.230 nan 0.000 0.432 537 P HA -0.199 nan 4.420 nan 0.000 0.215 537 P C 1.473 178.641 177.300 -0.220 0.000 1.157 537 P CA 1.678 64.671 63.100 -0.179 0.000 0.874 537 P CB -0.083 31.551 31.700 -0.109 0.000 0.790 538 K N -1.151 119.085 120.400 -0.274 0.000 2.211 538 K HA -0.099 4.225 4.320 0.006 0.000 0.203 538 K C 1.930 178.327 176.600 -0.339 0.000 1.050 538 K CA 0.877 57.011 56.287 -0.255 0.000 0.945 538 K CB -0.738 31.643 32.500 -0.197 0.000 0.732 538 K HN 0.114 nan 8.250 nan 0.000 0.451 539 L N 1.173 122.057 121.223 -0.566 0.000 2.131 539 L HA -0.043 4.301 4.340 0.006 0.000 0.206 539 L C 1.821 178.534 176.870 -0.260 0.000 1.087 539 L CA 1.295 55.835 54.840 -0.499 0.000 0.767 539 L CB -0.224 41.390 42.059 -0.743 0.000 0.917 539 L HN 0.058 nan 8.230 nan 0.000 0.441 540 L N -0.472 120.611 121.223 -0.233 0.000 2.056 540 L HA -0.087 4.256 4.340 0.006 0.000 0.207 540 L C 1.539 178.347 176.870 -0.103 0.000 1.078 540 L CA 1.089 55.847 54.840 -0.138 0.000 0.749 540 L CB -0.596 41.394 42.059 -0.114 0.000 0.901 540 L HN 0.439 nan 8.230 nan 0.000 0.433 541 S N -0.071 115.563 115.700 -0.110 0.000 4.085 541 S HA 0.587 5.061 4.470 0.006 0.000 0.189 541 S C 0.029 174.585 174.600 -0.073 0.000 1.392 541 S CA -0.038 58.115 58.200 -0.079 0.000 0.972 541 S CB -0.405 62.752 63.200 -0.072 0.000 1.482 541 S HN 0.356 nan 8.310 nan 0.000 0.446 542 A N 0.000 122.781 122.820 -0.065 0.000 2.254 542 A HA 0.000 4.324 4.320 0.006 0.000 0.244 542 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 542 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486