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 2weu_1_C DATA FIRST_RESID 1 DATA SEQUENCE MIRSVVIVGG GTAGWMTASY LKAAFDDRID VTLVESGNVX XXXVGEATFS DATA SEQUENCE TVRHFFDYLG LDEREWLPRC AGGYKLGIRF ENWSEPGEYF YHPFERLRVV DATA SEQUENCE DGFNMAEWWL AVGDRXTSFS EACYLTHRLC EAKRAPRMLD GSLFAXXXXX DATA SEQUENCE XXGRSTLAEQ RAQFPYAYHF DADEVARYLS EYAIARGVRH VVDDVQHVGQ DATA SEQUENCE DERGWISGVH TKQHGEISGD LFVDCTGFRG LLINQTLGGR FQSFSDVLPN DATA SEQUENCE NRAVALRVPR ENDEDMRPYT TATAMSAGWM WTIPLFKRDG NGYVYSDEFI DATA SEQUENCE SPEEAERELR STVAPGRDDL EANHIQMRIG RNERTWINNC VAVGLSAAFV DATA SEQUENCE EPLESTGIFF IQHAIEQLVK HFPGERWDPV LISAYNERMA HMVDGVKEFL DATA SEQUENCE VLHYKGAQRE DTPYWKAAKT RAMPDGLARK LELSASHLLD EQTIYPYYHG DATA SEQUENCE FETYSWITMN LGLGIVPERP RPALLHMDPA PALAEFERLR REGDELIAAL DATA SEQUENCE PSCYEYLASI Q 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.282 176.300 -0.030 0.000 1.140 1 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 1 M CB 0.000 32.567 32.600 -0.054 0.000 1.302 2 I N -1.009 119.537 120.570 -0.041 0.000 2.945 2 I HA 0.481 4.650 4.170 -0.003 0.000 0.292 2 I C 0.678 176.817 176.117 0.037 0.000 1.093 2 I CA -0.238 61.062 61.300 -0.000 0.000 1.336 2 I CB 0.956 38.920 38.000 -0.061 0.000 1.435 2 I HN 0.948 nan 8.210 nan 0.000 0.593 3 R N 1.543 122.073 120.500 0.049 0.000 2.310 3 R HA 0.235 4.574 4.340 -0.003 0.000 0.199 3 R C -0.114 176.216 176.300 0.051 0.000 0.891 3 R CA 0.671 56.794 56.100 0.038 0.000 1.060 3 R CB 0.420 30.735 30.300 0.026 0.000 1.188 3 R HN 0.936 nan 8.270 nan 0.000 0.607 4 S N -0.222 115.506 115.700 0.046 0.000 2.541 4 S HA 0.622 5.091 4.470 -0.003 0.000 0.280 4 S C -0.871 173.710 174.600 -0.031 0.000 1.112 4 S CA -0.803 57.402 58.200 0.008 0.000 0.925 4 S CB 2.573 65.758 63.200 -0.025 0.000 1.067 4 S HN -0.091 nan 8.310 nan 0.000 0.479 5 V N 2.187 122.074 119.914 -0.044 0.000 2.588 5 V HA 0.599 4.717 4.120 -0.003 0.000 0.304 5 V C -0.761 175.222 176.094 -0.184 0.000 1.042 5 V CA -0.699 61.535 62.300 -0.109 0.000 0.877 5 V CB 1.862 33.700 31.823 0.026 0.000 0.996 5 V HN 0.864 nan 8.190 nan 0.000 0.425 6 V N 5.995 125.707 119.914 -0.337 0.000 2.384 6 V HA 0.523 4.642 4.120 -0.003 0.000 0.287 6 V C -0.255 175.751 176.094 -0.147 0.000 1.020 6 V CA -0.364 61.787 62.300 -0.247 0.000 0.850 6 V CB 1.649 33.291 31.823 -0.302 0.000 0.987 6 V HN 0.686 nan 8.190 nan 0.000 0.436 7 I N 5.116 125.613 120.570 -0.122 0.000 2.354 7 I HA 0.447 4.616 4.170 -0.003 0.000 0.292 7 I C -0.496 175.551 176.117 -0.115 0.000 0.989 7 I CA -0.739 60.482 61.300 -0.132 0.000 1.188 7 I CB 1.935 39.810 38.000 -0.209 0.000 1.342 7 I HN 0.269 nan 8.210 nan 0.000 0.457 8 V N 5.538 125.406 119.914 -0.077 0.000 2.313 8 V HA 0.828 4.946 4.120 -0.003 0.000 0.278 8 V C 0.366 176.405 176.094 -0.092 0.000 1.017 8 V CA -0.449 61.816 62.300 -0.059 0.000 0.823 8 V CB 0.583 32.399 31.823 -0.013 0.000 1.010 8 V HN 1.077 nan 8.190 nan 0.000 0.443 9 G N 3.395 112.129 108.800 -0.110 0.000 2.770 9 G HA2 0.353 4.312 3.960 -0.003 0.000 0.686 9 G HA3 0.353 4.312 3.960 -0.003 0.000 0.686 9 G C -0.077 174.699 174.900 -0.207 0.000 1.180 9 G CA -0.249 44.781 45.100 -0.116 0.000 0.767 9 G HN 1.076 nan 8.290 nan 0.000 0.646 10 G N -0.060 108.648 108.800 -0.153 0.000 3.392 10 G HA2 1.028 4.986 3.960 -0.003 0.000 0.188 10 G HA3 1.028 4.986 3.960 -0.003 0.000 0.188 10 G C 1.378 176.236 174.900 -0.070 0.000 1.485 10 G CA 1.188 46.142 45.100 -0.243 0.000 0.943 10 G HN 2.676 nan 8.290 nan 0.000 0.627 11 G N -1.482 107.421 108.800 0.171 0.000 2.641 11 G HA2 -0.180 3.779 3.960 -0.003 0.000 0.254 11 G HA3 -0.180 3.779 3.960 -0.003 0.000 0.254 11 G C 1.060 176.052 174.900 0.154 0.000 1.315 11 G CA 0.857 46.050 45.100 0.155 0.000 0.907 11 G HN 1.056 nan 8.290 nan 0.000 0.572 12 T N 1.027 115.626 114.554 0.075 0.000 2.708 12 T HA 0.064 4.412 4.350 -0.003 0.000 0.266 12 T C 2.919 177.608 174.700 -0.018 0.000 1.037 12 T CA 3.170 65.291 62.100 0.035 0.000 1.146 12 T CB -0.680 68.197 68.868 0.015 0.000 0.865 12 T HN 1.515 nan 8.240 nan 0.000 0.435 13 A N 1.365 124.156 122.820 -0.048 0.000 1.877 13 A HA 0.109 4.428 4.320 -0.003 0.000 0.216 13 A C 2.627 180.143 177.584 -0.113 0.000 1.186 13 A CA 1.925 53.912 52.037 -0.084 0.000 0.620 13 A CB -1.388 17.565 19.000 -0.078 0.000 0.822 13 A HN 0.513 nan 8.150 nan 0.000 0.443 14 G N -1.709 106.990 108.800 -0.168 0.000 2.421 14 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.216 14 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.216 14 G C 1.424 176.102 174.900 -0.371 0.000 1.171 14 G CA 0.895 45.791 45.100 -0.339 0.000 0.775 14 G HN 0.673 nan 8.290 nan 0.000 0.543 15 W N 0.200 121.474 121.300 -0.043 0.000 2.518 15 W HA 0.270 4.929 4.660 -0.003 0.000 0.273 15 W C 2.843 179.369 176.519 0.011 0.000 1.247 15 W CA -0.077 57.249 57.345 -0.030 0.000 1.288 15 W CB -0.047 29.382 29.460 -0.051 0.000 1.107 15 W HN 0.086 nan 8.180 nan 0.000 0.586 16 M N -0.432 119.260 119.600 0.153 0.000 2.159 16 M HA -0.178 4.300 4.480 -0.003 0.000 0.263 16 M C 1.898 178.315 176.300 0.195 0.000 1.063 16 M CA 1.778 57.158 55.300 0.133 0.000 1.110 16 M CB -0.838 31.622 32.600 -0.233 0.000 1.374 16 M HN -0.150 nan 8.290 nan 0.000 0.411 17 T N 0.591 115.178 114.554 0.055 0.000 2.777 17 T HA -0.048 4.301 4.350 -0.003 0.000 0.266 17 T C 1.881 176.629 174.700 0.081 0.000 1.040 17 T CA 1.466 63.589 62.100 0.039 0.000 1.141 17 T CB -0.265 68.570 68.868 -0.054 0.000 0.868 17 T HN 0.479 nan 8.240 nan 0.000 0.444 18 A N 1.981 124.836 122.820 0.058 0.000 1.873 18 A HA -0.085 4.233 4.320 -0.003 0.000 0.215 18 A C 2.604 180.298 177.584 0.184 0.000 1.186 18 A CA 2.070 54.157 52.037 0.083 0.000 0.616 18 A CB -0.905 18.130 19.000 0.057 0.000 0.823 18 A HN 0.590 nan 8.150 nan 0.000 0.442 19 S N -1.657 114.209 115.700 0.276 0.000 2.368 19 S HA -0.221 4.248 4.470 -0.003 0.000 0.224 19 S C 1.973 176.689 174.600 0.194 0.000 1.029 19 S CA 1.457 59.844 58.200 0.312 0.000 0.988 19 S CB -0.864 62.488 63.200 0.254 0.000 0.838 19 S HN 0.554 nan 8.310 nan 0.000 0.462 20 Y N 2.226 122.542 120.300 0.027 0.000 2.181 20 Y HA 0.045 4.593 4.550 -0.003 0.000 0.288 20 Y C 2.159 177.959 175.900 -0.166 0.000 1.146 20 Y CA 1.358 59.392 58.100 -0.110 0.000 1.164 20 Y CB -0.375 38.047 38.460 -0.062 0.000 0.982 20 Y HN 0.194 nan 8.280 nan 0.000 0.515 21 L N -0.304 120.900 121.223 -0.031 0.000 2.046 21 L HA -0.246 4.092 4.340 -0.003 0.000 0.208 21 L C 2.446 179.188 176.870 -0.213 0.000 1.077 21 L CA 1.297 56.009 54.840 -0.213 0.000 0.747 21 L CB -0.464 41.566 42.059 -0.048 0.000 0.896 21 L HN 0.076 nan 8.230 nan 0.000 0.432 22 K N -0.001 120.362 120.400 -0.061 0.000 2.103 22 K HA -0.042 4.277 4.320 -0.003 0.000 0.204 22 K C 2.165 178.724 176.600 -0.067 0.000 1.052 22 K CA 1.320 57.587 56.287 -0.034 0.000 0.945 22 K CB -0.325 32.174 32.500 -0.001 0.000 0.722 22 K HN 0.261 nan 8.250 nan 0.000 0.443 23 A N 1.306 124.088 122.820 -0.063 0.000 1.933 23 A HA -0.070 4.248 4.320 -0.003 0.000 0.218 23 A C 2.361 179.868 177.584 -0.129 0.000 1.175 23 A CA 1.958 53.956 52.037 -0.065 0.000 0.628 23 A CB -0.442 18.547 19.000 -0.019 0.000 0.814 23 A HN 0.288 nan 8.150 nan 0.000 0.444 24 A N -1.522 121.130 122.820 -0.281 0.000 1.872 24 A HA 0.198 4.516 4.320 -0.003 0.000 0.214 24 A C 1.600 179.106 177.584 -0.131 0.000 1.187 24 A CA 1.499 53.331 52.037 -0.342 0.000 0.614 24 A CB -0.380 18.052 19.000 -0.946 0.000 0.826 24 A HN 0.464 nan 8.150 nan 0.000 0.442 25 F N -1.412 118.464 119.950 -0.123 0.000 2.724 25 F HA 0.222 4.747 4.527 -0.003 0.000 0.306 25 F C 1.005 176.743 175.800 -0.102 0.000 1.100 25 F CA -0.743 57.175 58.000 -0.136 0.000 1.255 25 F CB -0.448 38.429 39.000 -0.205 0.000 1.072 25 F HN 0.268 nan 8.300 nan 0.000 0.589 26 D N 1.544 121.984 120.400 0.067 0.000 3.750 26 D HA -0.327 4.312 4.640 -0.003 0.000 0.149 26 D C 0.823 177.135 176.300 0.020 0.000 0.867 26 D CA 2.329 56.335 54.000 0.011 0.000 1.010 26 D CB -0.777 40.014 40.800 -0.014 0.000 0.462 26 D HN 0.317 nan 8.370 nan 0.000 0.436 27 D N -0.198 120.203 120.400 0.002 0.000 2.319 27 D HA 0.044 4.682 4.640 -0.003 0.000 0.230 27 D C 1.263 177.561 176.300 -0.003 0.000 1.094 27 D CA 0.258 54.256 54.000 -0.003 0.000 0.856 27 D CB -0.455 40.337 40.800 -0.014 0.000 0.915 27 D HN 0.366 nan 8.370 nan 0.000 0.517 28 R N -0.519 119.981 120.500 -0.000 0.000 2.388 28 R HA 0.352 4.690 4.340 -0.003 0.000 0.247 28 R C -0.357 175.910 176.300 -0.054 0.000 0.931 28 R CA -0.236 55.838 56.100 -0.042 0.000 1.082 28 R CB 0.298 30.548 30.300 -0.085 0.000 1.135 28 R HN 0.140 nan 8.270 nan 0.000 0.525 29 I N -0.059 120.519 120.570 0.014 0.000 2.752 29 I HA 0.214 4.383 4.170 -0.003 0.000 0.295 29 I C -1.731 174.416 176.117 0.049 0.000 1.219 29 I CA -0.906 60.421 61.300 0.045 0.000 1.030 29 I CB 2.227 40.311 38.000 0.140 0.000 1.259 29 I HN -0.157 nan 8.210 nan 0.000 0.423 30 D N 6.048 126.474 120.400 0.043 0.000 2.193 30 D HA 0.634 5.273 4.640 -0.003 0.000 0.244 30 D C -1.004 175.312 176.300 0.028 0.000 1.064 30 D CA 0.048 54.065 54.000 0.028 0.000 0.845 30 D CB 2.223 43.032 40.800 0.015 0.000 1.148 30 D HN 0.190 nan 8.370 nan 0.000 0.464 31 V N 1.801 121.728 119.914 0.020 0.000 2.638 31 V HA 0.481 4.600 4.120 -0.003 0.000 0.306 31 V C -0.066 176.026 176.094 -0.002 0.000 1.052 31 V CA -0.633 61.671 62.300 0.006 0.000 0.885 31 V CB 2.231 34.067 31.823 0.022 0.000 0.999 31 V HN 0.492 nan 8.190 nan 0.000 0.424 32 T N 5.669 120.202 114.554 -0.035 0.000 2.824 32 T HA 0.662 5.010 4.350 -0.003 0.000 0.282 32 T C -0.785 173.870 174.700 -0.076 0.000 0.993 32 T CA -0.313 61.768 62.100 -0.031 0.000 0.967 32 T CB 1.634 70.481 68.868 -0.035 0.000 0.960 32 T HN 0.551 nan 8.240 nan 0.000 0.441 33 L N 4.024 125.202 121.223 -0.074 0.000 2.325 33 L HA 0.714 5.052 4.340 -0.003 0.000 0.281 33 L C -1.198 175.641 176.870 -0.051 0.000 1.004 33 L CA -0.752 53.981 54.840 -0.179 0.000 0.823 33 L CB 1.004 42.750 42.059 -0.522 0.000 1.236 33 L HN 0.407 nan 8.230 nan 0.000 0.415 34 V N 4.976 124.846 119.914 -0.072 0.000 2.347 34 V HA 0.461 4.580 4.120 -0.003 0.000 0.280 34 V C -0.262 175.817 176.094 -0.026 0.000 1.021 34 V CA -0.444 61.832 62.300 -0.041 0.000 0.847 34 V CB 1.215 33.014 31.823 -0.039 0.000 0.990 34 V HN 0.855 nan 8.190 nan 0.000 0.444 35 E N 2.856 123.073 120.200 0.028 0.000 2.367 35 E HA 0.648 4.996 4.350 -0.003 0.000 0.273 35 E C -0.958 175.675 176.600 0.055 0.000 0.903 35 E CA -0.721 55.708 56.400 0.048 0.000 0.764 35 E CB 2.129 31.898 29.700 0.114 0.000 1.252 35 E HN 0.389 nan 8.360 nan 0.000 0.446 36 S N 0.405 116.133 115.700 0.046 0.000 2.601 36 S HA 0.386 4.854 4.470 -0.003 0.000 0.271 36 S C 1.013 175.650 174.600 0.061 0.000 1.305 36 S CA 0.128 58.355 58.200 0.044 0.000 1.022 36 S CB 0.923 64.142 63.200 0.032 0.000 0.940 36 S HN 0.678 nan 8.310 nan 0.000 0.525 37 G N 2.292 111.125 108.800 0.055 0.000 2.511 37 G HA2 -0.065 3.894 3.960 -0.003 0.000 0.217 37 G HA3 -0.065 3.894 3.960 -0.003 0.000 0.217 37 G C 0.482 175.411 174.900 0.049 0.000 1.133 37 G CA -0.014 45.120 45.100 0.057 0.000 0.792 37 G HN 0.656 nan 8.290 nan 0.000 0.539 38 N N 0.416 119.140 118.700 0.040 0.000 3.243 38 N HA 0.301 5.040 4.740 -0.003 0.000 0.310 38 N C -0.498 175.031 175.510 0.031 0.000 1.313 38 N CA 0.048 53.118 53.050 0.033 0.000 1.204 38 N CB 0.887 39.391 38.487 0.028 0.000 1.483 38 N HN 0.175 nan 8.380 nan 0.000 0.553 45 G N 0.859 109.760 108.800 0.168 0.000 2.503 45 G HA2 0.606 4.565 3.960 -0.003 0.000 0.257 45 G HA3 0.606 4.565 3.960 -0.003 0.000 0.257 45 G C -0.776 174.140 174.900 0.027 0.000 1.214 45 G CA 0.204 45.388 45.100 0.140 0.000 0.839 45 G HN 0.876 nan 8.290 nan 0.000 0.559 46 E N -0.364 119.853 120.200 0.028 0.000 2.408 46 E HA 0.627 4.976 4.350 -0.003 0.000 0.275 46 E C -0.464 176.060 176.600 -0.128 0.000 0.935 46 E CA -0.919 55.436 56.400 -0.076 0.000 0.775 46 E CB 2.141 31.849 29.700 0.013 0.000 1.277 46 E HN 0.711 nan 8.360 nan 0.000 0.455 47 A N 0.829 123.611 122.820 -0.064 0.000 2.288 47 A HA 0.829 5.148 4.320 -0.003 0.000 0.328 47 A C -0.359 177.214 177.584 -0.019 0.000 1.123 47 A CA -0.143 51.911 52.037 0.029 0.000 0.861 47 A CB 1.488 20.625 19.000 0.229 0.000 1.272 47 A HN 0.629 nan 8.150 nan 0.000 0.490 48 T N -2.655 111.950 114.554 0.084 0.000 2.838 48 T HA 0.734 5.083 4.350 -0.003 0.000 0.292 48 T C -0.715 174.253 174.700 0.448 0.000 1.113 48 T CA -0.603 61.614 62.100 0.195 0.000 1.008 48 T CB 0.592 69.607 68.868 0.246 0.000 1.259 48 T HN 0.280 nan 8.240 nan 0.000 0.520 49 F N 1.688 121.729 119.950 0.153 0.000 2.380 49 F HA 0.406 4.931 4.527 -0.002 0.000 0.325 49 F C 2.365 178.084 175.800 -0.134 0.000 1.136 49 F CA -1.004 57.064 58.000 0.113 0.000 1.171 49 F CB 1.007 40.025 39.000 0.030 0.000 1.230 49 F HN 0.900 nan 8.300 nan 0.000 0.554 50 S N -0.531 114.933 115.700 -0.393 0.000 2.400 50 S HA -0.211 4.257 4.470 -0.003 0.000 0.232 50 S C 1.686 176.270 174.600 -0.027 0.000 1.025 50 S CA 1.652 59.595 58.200 -0.428 0.000 0.993 50 S CB -1.251 61.633 63.200 -0.526 0.000 0.808 50 S HN 0.787 nan 8.310 nan 0.000 0.478 51 T N -0.916 113.747 114.554 0.181 0.000 3.113 51 T HA 0.132 4.480 4.350 -0.003 0.000 0.263 51 T C 1.550 176.477 174.700 0.379 0.000 1.143 51 T CA 0.649 62.954 62.100 0.341 0.000 1.090 51 T CB -0.602 68.521 68.868 0.426 0.000 0.922 51 T HN 0.234 nan 8.240 nan 0.000 0.521 52 V N 3.146 123.262 119.914 0.337 0.000 2.688 52 V HA -0.239 3.879 4.120 -0.003 0.000 0.256 52 V C 2.886 179.246 176.094 0.443 0.000 1.084 52 V CA 2.068 64.585 62.300 0.362 0.000 1.103 52 V CB -0.765 31.320 31.823 0.437 0.000 0.688 52 V HN 0.711 nan 8.190 nan 0.000 0.480 53 R N -0.902 119.790 120.500 0.320 0.000 2.117 53 R HA -0.243 4.095 4.340 -0.003 0.000 0.243 53 R C 2.006 178.382 176.300 0.127 0.000 1.143 53 R CA 2.230 58.444 56.100 0.191 0.000 0.968 53 R CB -1.152 28.981 30.300 -0.279 0.000 0.863 53 R HN 0.622 nan 8.270 nan 0.000 0.444 54 H N -0.229 118.958 119.070 0.195 0.000 2.387 54 H HA -0.137 4.418 4.556 -0.003 0.000 0.299 54 H C 1.929 177.413 175.328 0.260 0.000 1.090 54 H CA 1.761 57.929 56.048 0.200 0.000 1.332 54 H CB -0.370 29.505 29.762 0.188 0.000 1.386 54 H HN 0.287 nan 8.280 nan 0.000 0.516 55 F N 1.109 121.179 119.950 0.200 0.000 2.060 55 F HA -0.203 4.323 4.527 -0.002 0.000 0.295 55 F C 2.154 177.980 175.800 0.043 0.000 1.120 55 F CA 1.187 59.223 58.000 0.061 0.000 1.205 55 F CB -0.606 38.271 39.000 -0.205 0.000 0.986 55 F HN -0.125 nan 8.300 nan 0.000 0.470 56 F N 1.107 121.184 119.950 0.212 0.000 2.171 56 F HA -0.189 4.336 4.527 -0.003 0.000 0.300 56 F C 2.302 178.097 175.800 -0.009 0.000 1.090 56 F CA 1.705 59.719 58.000 0.023 0.000 1.293 56 F CB -0.962 38.118 39.000 0.132 0.000 1.013 56 F HN 0.013 nan 8.300 nan 0.000 0.486 57 D N -1.526 119.011 120.400 0.228 0.000 2.178 57 D HA -0.199 4.439 4.640 -0.003 0.000 0.202 57 D C 2.018 178.366 176.300 0.079 0.000 0.974 57 D CA 0.913 54.990 54.000 0.129 0.000 0.841 57 D CB -0.585 40.265 40.800 0.083 0.000 0.953 57 D HN 0.321 nan 8.370 nan 0.000 0.478 58 Y N 0.587 120.861 120.300 -0.042 0.000 2.200 58 Y HA -0.168 4.380 4.550 -0.002 0.000 0.290 58 Y C 1.868 177.642 175.900 -0.209 0.000 1.137 58 Y CA 0.942 58.974 58.100 -0.115 0.000 1.163 58 Y CB 0.018 38.421 38.460 -0.096 0.000 0.988 58 Y HN -0.116 nan 8.280 nan 0.000 0.518 59 L N -0.068 121.098 121.223 -0.094 0.000 2.376 59 L HA 0.101 4.440 4.340 -0.003 0.000 0.219 59 L C 1.834 178.701 176.870 -0.004 0.000 1.133 59 L CA 1.561 56.300 54.840 -0.168 0.000 0.816 59 L CB -0.965 40.746 42.059 -0.579 0.000 0.933 59 L HN 0.447 nan 8.230 nan 0.000 0.449 60 G N -0.824 107.981 108.800 0.008 0.000 2.132 60 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.228 60 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.228 60 G C 0.109 175.079 174.900 0.116 0.000 1.000 60 G CA 0.010 45.145 45.100 0.059 0.000 0.693 60 G HN 0.235 nan 8.290 nan 0.000 0.515 61 L N 0.026 121.334 121.223 0.142 0.000 2.322 61 L HA 0.679 5.018 4.340 -0.003 0.000 0.279 61 L C 0.031 177.051 176.870 0.249 0.000 1.036 61 L CA -0.876 54.098 54.840 0.224 0.000 0.807 61 L CB 1.610 43.815 42.059 0.243 0.000 1.226 61 L HN 0.184 nan 8.230 nan 0.000 0.433 62 D N -0.076 120.464 120.400 0.233 0.000 2.248 62 D HA 0.114 4.753 4.640 -0.003 0.000 0.246 62 D C 0.945 177.261 176.300 0.026 0.000 1.027 62 D CA -0.487 53.603 54.000 0.149 0.000 0.853 62 D CB 1.500 42.351 40.800 0.085 0.000 1.243 62 D HN 0.661 nan 8.370 nan 0.000 0.462 63 E N 2.858 122.977 120.200 -0.135 0.000 2.209 63 E HA -0.245 4.104 4.350 -0.003 0.000 0.196 63 E C 1.216 177.404 176.600 -0.686 0.000 0.993 63 E CA 0.786 56.740 56.400 -0.743 0.000 0.819 63 E CB 0.032 29.503 29.700 -0.381 0.000 0.745 63 E HN 0.416 nan 8.360 nan 0.000 0.477 64 R N 0.813 121.138 120.500 -0.292 0.000 2.193 64 R HA -0.090 4.248 4.340 -0.003 0.000 0.229 64 R C 1.974 178.134 176.300 -0.233 0.000 1.110 64 R CA 1.555 57.516 56.100 -0.232 0.000 0.988 64 R CB -0.126 30.113 30.300 -0.102 0.000 0.871 64 R HN 0.431 nan 8.270 nan 0.000 0.458 65 E N -0.079 120.008 120.200 -0.188 0.000 2.046 65 E HA -0.145 4.204 4.350 -0.003 0.000 0.190 65 E C 1.807 178.307 176.600 -0.167 0.000 0.982 65 E CA 1.278 57.637 56.400 -0.069 0.000 0.800 65 E CB -0.037 29.743 29.700 0.134 0.000 0.756 65 E HN 0.570 nan 8.360 nan 0.000 0.449 66 W N 0.001 121.039 121.300 -0.436 0.000 2.866 66 W HA 0.258 4.917 4.660 -0.003 0.000 0.258 66 W C 1.585 177.799 176.519 -0.508 0.000 1.183 66 W CA -0.359 56.551 57.345 -0.725 0.000 1.451 66 W CB -0.586 28.115 29.460 -1.265 0.000 0.959 66 W HN 0.005 nan 8.180 nan 0.000 0.622 67 L N 3.218 123.768 121.223 -1.121 0.000 2.012 67 L HA -0.039 4.299 4.340 -0.003 0.000 0.210 67 L C -0.563 176.034 176.870 -0.455 0.000 1.073 67 L CA 2.358 56.605 54.840 -0.990 0.000 0.748 67 L CB -1.883 39.465 42.059 -1.184 0.000 0.891 67 L HN -0.287 nan 8.230 nan 0.000 0.431 68 P HA -0.195 nan 4.420 nan 0.000 0.216 68 P C 1.487 178.675 177.300 -0.187 0.000 1.153 68 P CA 1.470 64.365 63.100 -0.341 0.000 0.848 68 P CB -0.192 31.300 31.700 -0.347 0.000 0.787 69 R N -0.321 120.092 120.500 -0.145 0.000 2.152 69 R HA -0.104 4.235 4.340 -0.003 0.000 0.232 69 R C 0.551 176.847 176.300 -0.007 0.000 1.117 69 R CA 1.539 57.608 56.100 -0.052 0.000 0.981 69 R CB -0.701 29.586 30.300 -0.023 0.000 0.870 69 R HN 0.158 nan 8.270 nan 0.000 0.451 70 C N 0.692 119.987 119.300 -0.009 0.000 2.589 70 C HA 0.504 4.963 4.460 -0.003 0.000 0.307 70 C C 0.770 175.833 174.990 0.122 0.000 1.328 70 C CA -0.114 58.946 59.018 0.070 0.000 1.742 70 C CB -0.618 27.186 27.740 0.106 0.000 2.037 70 C HN 0.629 nan 8.230 nan 0.000 0.592 71 A N 0.259 123.125 122.820 0.076 0.000 2.832 71 A HA -0.056 4.262 4.320 -0.003 0.000 0.280 71 A C 0.810 178.493 177.584 0.166 0.000 1.464 71 A CA 0.741 52.863 52.037 0.143 0.000 0.804 71 A CB -1.844 17.260 19.000 0.174 0.000 1.020 71 A HN 0.889 nan 8.150 nan 0.000 0.563 72 G N -1.358 107.476 108.800 0.056 0.000 2.569 72 G HA2 0.655 4.613 3.960 -0.003 0.000 0.249 72 G HA3 0.655 4.613 3.960 -0.003 0.000 0.249 72 G C 0.401 175.314 174.900 0.022 0.000 1.216 72 G CA 0.340 45.480 45.100 0.067 0.000 0.845 72 G HN 1.689 nan 8.290 nan 0.000 0.568 73 G N -1.351 107.494 108.800 0.075 0.000 2.733 73 G HA2 0.579 4.537 3.960 -0.003 0.000 0.288 73 G HA3 0.579 4.537 3.960 -0.003 0.000 0.288 73 G C -1.702 173.136 174.900 -0.103 0.000 1.373 73 G CA -0.881 44.237 45.100 0.030 0.000 0.895 73 G HN 0.503 nan 8.290 nan 0.000 0.479 74 Y N -0.054 120.283 120.300 0.060 0.000 2.361 74 Y HA 0.540 5.088 4.550 -0.002 0.000 0.332 74 Y C 0.610 176.424 175.900 -0.144 0.000 1.101 74 Y CA -0.548 57.483 58.100 -0.115 0.000 1.137 74 Y CB 2.171 40.488 38.460 -0.239 0.000 1.207 74 Y HN 0.315 nan 8.280 nan 0.000 0.463 75 K N 4.029 124.412 120.400 -0.028 0.000 2.394 75 K HA 0.386 4.704 4.320 -0.003 0.000 0.260 75 K C -0.511 176.283 176.600 0.324 0.000 0.967 75 K CA -0.332 55.958 56.287 0.005 0.000 0.855 75 K CB 0.722 33.093 32.500 -0.216 0.000 1.101 75 K HN 0.849 nan 8.250 nan 0.000 0.433 76 L N 2.611 124.034 121.223 0.334 0.000 2.529 76 L HA 0.311 4.649 4.340 -0.003 0.000 0.223 76 L C 0.968 177.988 176.870 0.249 0.000 1.113 76 L CA 0.277 55.316 54.840 0.333 0.000 0.861 76 L CB 0.446 42.589 42.059 0.141 0.000 1.012 76 L HN 0.953 nan 8.230 nan 0.000 0.461 77 G N -0.060 108.830 108.800 0.150 0.000 2.344 77 G HA2 0.259 4.217 3.960 -0.003 0.000 0.282 77 G HA3 0.259 4.217 3.960 -0.003 0.000 0.282 77 G C -1.695 173.218 174.900 0.022 0.000 1.281 77 G CA -0.790 44.196 45.100 -0.189 0.000 0.877 77 G HN -0.114 nan 8.290 nan 0.000 0.494 78 I N 0.845 121.391 120.570 -0.041 0.000 2.406 78 I HA 0.462 4.630 4.170 -0.003 0.000 0.290 78 I C 0.448 176.457 176.117 -0.180 0.000 0.999 78 I CA -0.690 60.558 61.300 -0.087 0.000 1.124 78 I CB 2.009 39.845 38.000 -0.274 0.000 1.289 78 I HN 0.448 nan 8.210 nan 0.000 0.441 79 R N 6.063 126.400 120.500 -0.271 0.000 2.242 79 R HA 0.339 4.678 4.340 -0.003 0.000 0.334 79 R C -1.423 174.505 176.300 -0.619 0.000 1.071 79 R CA -0.275 55.439 56.100 -0.643 0.000 0.922 79 R CB 0.349 30.217 30.300 -0.719 0.000 1.023 79 R HN 0.364 nan 8.270 nan 0.000 0.458 80 F N 4.209 123.760 119.950 -0.665 0.000 2.404 80 F HA 0.196 4.721 4.527 -0.003 0.000 0.358 80 F C 0.252 175.917 175.800 -0.225 0.000 1.120 80 F CA -0.152 57.523 58.000 -0.542 0.000 1.144 80 F CB 1.200 39.495 39.000 -1.175 0.000 1.133 80 F HN 0.479 nan 8.300 nan 0.000 0.495 81 E N 2.183 122.545 120.200 0.270 0.000 2.266 81 E HA 0.429 4.778 4.350 -0.003 0.000 0.268 81 E C -0.476 176.293 176.600 0.283 0.000 0.879 81 E CA -1.073 55.482 56.400 0.258 0.000 0.762 81 E CB 1.391 31.145 29.700 0.089 0.000 1.199 81 E HN 0.492 nan 8.360 nan 0.000 0.422 82 N N 0.432 119.251 118.700 0.199 0.000 2.800 82 N HA -0.174 4.565 4.740 -0.003 0.000 0.250 82 N C -0.516 174.940 175.510 -0.089 0.000 1.078 82 N CA 1.165 54.235 53.050 0.033 0.000 0.804 82 N CB -1.396 37.058 38.487 -0.055 0.000 1.135 82 N HN 0.739 nan 8.380 nan 0.000 0.565 83 W N 0.520 121.774 121.300 -0.077 0.000 2.518 83 W HA 0.154 4.813 4.660 -0.002 0.000 0.273 83 W C 1.926 178.296 176.519 -0.249 0.000 1.247 83 W CA 1.078 58.302 57.345 -0.202 0.000 1.288 83 W CB 0.136 29.552 29.460 -0.074 0.000 1.107 83 W HN 0.047 nan 8.180 nan 0.000 0.586 84 S N -1.768 113.977 115.700 0.076 0.000 3.571 84 S HA 0.086 4.555 4.470 -0.003 0.000 0.175 84 S C -0.096 174.499 174.600 -0.007 0.000 0.907 84 S CA -0.572 57.634 58.200 0.009 0.000 1.087 84 S CB -0.230 62.997 63.200 0.044 0.000 1.471 84 S HN -0.275 nan 8.310 nan 0.000 0.877 85 E N 3.238 123.454 120.200 0.026 0.000 2.376 85 E HA 0.210 4.558 4.350 -0.003 0.000 0.266 85 E C -2.590 174.024 176.600 0.022 0.000 1.009 85 E CA -1.731 54.681 56.400 0.018 0.000 0.902 85 E CB 0.062 29.778 29.700 0.027 0.000 0.972 85 E HN 0.118 nan 8.360 nan 0.000 0.439 86 P HA 0.011 nan 4.420 nan 0.000 0.263 86 P C 0.687 178.009 177.300 0.036 0.000 1.195 86 P CA 0.680 63.782 63.100 0.004 0.000 0.762 86 P CB 0.426 32.124 31.700 -0.004 0.000 0.799 87 G N 1.595 110.428 108.800 0.055 0.000 2.184 87 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.264 87 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.264 87 G C 0.119 175.118 174.900 0.164 0.000 0.975 87 G CA -0.170 44.989 45.100 0.098 0.000 0.642 87 G HN 0.516 nan 8.290 nan 0.000 0.536 88 E N -0.388 119.895 120.200 0.138 0.000 2.250 88 E HA 0.686 5.035 4.350 -0.003 0.000 0.269 88 E C 0.028 176.766 176.600 0.230 0.000 1.018 88 E CA -0.350 56.119 56.400 0.116 0.000 0.873 88 E CB 1.311 31.048 29.700 0.062 0.000 1.134 88 E HN 0.713 nan 8.360 nan 0.000 0.403 89 Y N -0.961 119.406 120.300 0.113 0.000 2.670 89 Y HA 0.725 5.274 4.550 -0.003 0.000 0.334 89 Y C -0.992 175.001 175.900 0.154 0.000 1.185 89 Y CA -1.575 56.551 58.100 0.045 0.000 1.053 89 Y CB 1.099 39.477 38.460 -0.137 0.000 1.298 89 Y HN 0.460 nan 8.280 nan 0.000 0.459 90 F N -1.346 118.656 119.950 0.086 0.000 2.711 90 F HA 0.786 5.312 4.527 -0.003 0.000 0.313 90 F C -2.364 173.412 175.800 -0.041 0.000 1.141 90 F CA -2.013 56.032 58.000 0.075 0.000 0.941 90 F CB 1.223 40.294 39.000 0.118 0.000 1.349 90 F HN 0.477 nan 8.300 nan 0.000 0.464 91 Y N 0.293 120.787 120.300 0.324 0.000 2.409 91 Y HA 0.386 4.934 4.550 -0.002 0.000 0.339 91 Y C -0.397 175.711 175.900 0.347 0.000 1.033 91 Y CA -0.696 57.477 58.100 0.121 0.000 1.094 91 Y CB 1.374 39.822 38.460 -0.019 0.000 1.210 91 Y HN 0.779 nan 8.280 nan 0.000 0.456 92 H N 5.223 124.452 119.070 0.266 0.000 2.623 92 H HA 0.364 4.918 4.556 -0.003 0.000 0.299 92 H C -2.797 172.512 175.328 -0.031 0.000 1.052 92 H CA -2.477 53.684 56.048 0.188 0.000 1.231 92 H CB 1.158 31.062 29.762 0.237 0.000 1.389 92 H HN 0.399 nan 8.280 nan 0.000 0.469 93 P HA 0.144 nan 4.420 nan 0.000 0.287 93 P C -0.823 176.288 177.300 -0.316 0.000 1.292 93 P CA -0.853 62.072 63.100 -0.291 0.000 0.879 93 P CB 1.559 33.009 31.700 -0.416 0.000 1.214 94 F N 0.534 120.456 119.950 -0.047 0.000 2.640 94 F HA 0.347 4.872 4.527 -0.003 0.000 0.354 94 F C 1.044 176.805 175.800 -0.064 0.000 1.213 94 F CA 0.441 58.439 58.000 -0.003 0.000 1.314 94 F CB -0.340 38.654 39.000 -0.009 0.000 1.679 94 F HN 0.264 nan 8.300 nan 0.000 0.622 95 E N 1.198 121.355 120.200 -0.072 0.000 2.343 95 E HA 0.306 4.655 4.350 -0.003 0.000 0.286 95 E C -0.693 175.538 176.600 -0.615 0.000 0.915 95 E CA -0.772 55.497 56.400 -0.218 0.000 0.784 95 E CB 1.348 30.969 29.700 -0.131 0.000 1.251 95 E HN 0.319 nan 8.360 nan 0.000 0.407 96 R N 2.701 122.901 120.500 -0.501 0.000 2.615 96 R HA 0.369 4.708 4.340 -0.003 0.000 0.270 96 R C 0.020 176.245 176.300 -0.125 0.000 1.081 96 R CA -0.491 55.256 56.100 -0.587 0.000 1.154 96 R CB 0.641 30.802 30.300 -0.230 0.000 1.063 96 R HN 0.445 nan 8.270 nan 0.000 0.519 97 L N 2.773 123.999 121.223 0.005 0.000 2.367 97 L HA 0.195 4.534 4.340 -0.003 0.000 0.275 97 L C 0.823 177.712 176.870 0.031 0.000 1.129 97 L CA 0.045 54.929 54.840 0.074 0.000 0.839 97 L CB 0.451 42.600 42.059 0.149 0.000 1.133 97 L HN 0.378 nan 8.230 nan 0.000 0.453 98 R N 1.791 122.285 120.500 -0.011 0.000 2.679 98 R HA 0.415 4.753 4.340 -0.003 0.000 0.269 98 R C -0.909 175.413 176.300 0.036 0.000 1.076 98 R CA -0.483 55.610 56.100 -0.011 0.000 1.160 98 R CB 0.817 31.080 30.300 -0.062 0.000 1.054 98 R HN 0.318 nan 8.270 nan 0.000 0.507 99 V N 2.329 122.273 119.914 0.049 0.000 2.444 99 V HA 0.316 4.434 4.120 -0.003 0.000 0.294 99 V C -0.595 175.567 176.094 0.113 0.000 1.022 99 V CA -0.721 61.645 62.300 0.111 0.000 0.850 99 V CB 1.878 33.750 31.823 0.081 0.000 0.992 99 V HN 0.403 nan 8.190 nan 0.000 0.426 100 V N 3.616 123.669 119.914 0.231 0.000 2.444 100 V HA 0.457 4.576 4.120 -0.003 0.000 0.294 100 V C -0.134 176.219 176.094 0.431 0.000 1.022 100 V CA -0.529 61.879 62.300 0.179 0.000 0.850 100 V CB 1.475 33.234 31.823 -0.107 0.000 0.992 100 V HN 0.991 nan 8.190 nan 0.000 0.426 101 D N 4.362 124.925 120.400 0.271 0.000 2.708 101 D HA -0.183 4.455 4.640 -0.003 0.000 0.236 101 D C 1.316 177.827 176.300 0.351 0.000 1.146 101 D CA 1.934 56.125 54.000 0.318 0.000 0.662 101 D CB -1.171 39.865 40.800 0.393 0.000 1.059 101 D HN 1.403 nan 8.370 nan 0.000 0.428 102 G N -1.817 107.091 108.800 0.181 0.000 2.205 102 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.261 102 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.261 102 G C 0.157 174.891 174.900 -0.276 0.000 0.980 102 G CA 0.220 45.285 45.100 -0.060 0.000 0.632 102 G HN 0.418 nan 8.290 nan 0.000 0.533 103 F N 1.520 121.543 119.950 0.120 0.000 2.520 103 F HA 0.560 5.085 4.527 -0.003 0.000 0.322 103 F C 0.457 176.344 175.800 0.145 0.000 1.103 103 F CA -0.889 57.114 58.000 0.005 0.000 0.926 103 F CB 1.453 40.239 39.000 -0.356 0.000 1.154 103 F HN 0.254 nan 8.300 nan 0.000 0.453 104 N N 1.772 120.622 118.700 0.249 0.000 2.399 104 N HA 0.084 4.823 4.740 -0.003 0.000 0.250 104 N C 0.729 176.438 175.510 0.332 0.000 1.272 104 N CA -0.405 52.790 53.050 0.242 0.000 0.928 104 N CB 0.528 39.121 38.487 0.176 0.000 1.158 104 N HN 0.470 nan 8.380 nan 0.000 0.463 105 M N -0.320 119.429 119.600 0.247 0.000 2.279 105 M HA -0.041 4.437 4.480 -0.003 0.000 0.264 105 M C 1.803 178.363 176.300 0.432 0.000 1.062 105 M CA 1.199 56.638 55.300 0.232 0.000 1.099 105 M CB -1.796 30.755 32.600 -0.083 0.000 1.394 105 M HN 0.840 nan 8.290 nan 0.000 0.426 106 A N 0.125 123.184 122.820 0.397 0.000 1.898 106 A HA -0.125 4.193 4.320 -0.003 0.000 0.216 106 A C 2.120 179.936 177.584 0.387 0.000 1.181 106 A CA 1.253 53.574 52.037 0.473 0.000 0.620 106 A CB -0.400 18.759 19.000 0.265 0.000 0.819 106 A HN 0.399 nan 8.150 nan 0.000 0.442 107 E N -0.652 119.698 120.200 0.249 0.000 2.058 107 E HA -0.245 4.104 4.350 -0.003 0.000 0.194 107 E C 1.824 178.468 176.600 0.072 0.000 0.997 107 E CA 1.325 57.788 56.400 0.105 0.000 0.801 107 E CB -0.439 29.277 29.700 0.027 0.000 0.746 107 E HN 0.880 nan 8.360 nan 0.000 0.450 108 W N 0.016 121.461 121.300 0.242 0.000 2.363 108 W HA -0.171 4.487 4.660 -0.003 0.000 0.296 108 W C 2.280 179.029 176.519 0.382 0.000 1.212 108 W CA 0.381 57.878 57.345 0.255 0.000 1.260 108 W CB -0.679 28.928 29.460 0.245 0.000 1.131 108 W HN 0.224 nan 8.180 nan 0.000 0.530 109 W N 0.633 122.266 121.300 0.555 0.000 2.358 109 W HA -0.181 4.477 4.660 -0.003 0.000 0.303 109 W C 1.937 178.544 176.519 0.148 0.000 1.208 109 W CA 1.784 59.334 57.345 0.343 0.000 1.274 109 W CB -0.614 29.076 29.460 0.383 0.000 1.138 109 W HN -0.225 nan 8.180 nan 0.000 0.515 110 L N 0.398 121.774 121.223 0.255 0.000 2.127 110 L HA -0.215 4.124 4.340 -0.003 0.000 0.211 110 L C 2.569 179.370 176.870 -0.115 0.000 1.089 110 L CA 1.470 56.295 54.840 -0.025 0.000 0.757 110 L CB -1.125 40.971 42.059 0.062 0.000 0.899 110 L HN 0.142 nan 8.230 nan 0.000 0.434 111 A N -0.647 122.162 122.820 -0.018 0.000 1.956 111 A HA 0.055 4.373 4.320 -0.003 0.000 0.212 111 A C 1.726 179.296 177.584 -0.023 0.000 1.188 111 A CA 1.228 53.251 52.037 -0.023 0.000 0.675 111 A CB 0.061 19.067 19.000 0.009 0.000 0.845 111 A HN 0.272 nan 8.150 nan 0.000 0.455 112 V N -3.801 116.123 119.914 0.017 0.000 3.329 112 V HA 0.539 4.658 4.120 -0.003 0.000 0.317 112 V C 0.687 176.650 176.094 -0.217 0.000 1.495 112 V CA 0.105 62.384 62.300 -0.035 0.000 1.105 112 V CB -0.302 31.587 31.823 0.110 0.000 0.985 112 V HN 0.419 nan 8.190 nan 0.000 0.475 113 G N -0.022 108.527 108.800 -0.418 0.000 2.528 113 G HA2 0.403 4.362 3.960 -0.003 0.000 0.289 113 G HA3 0.403 4.362 3.960 -0.003 0.000 0.289 113 G C -0.909 173.635 174.900 -0.594 0.000 1.192 113 G CA -0.169 44.516 45.100 -0.692 0.000 0.921 113 G HN 0.250 nan 8.290 nan 0.000 0.512 114 D N 0.494 120.664 120.400 -0.383 0.000 2.435 114 D HA 0.111 4.750 4.640 -0.003 0.000 0.230 114 D C 0.910 177.116 176.300 -0.157 0.000 1.215 114 D CA -0.207 53.667 54.000 -0.211 0.000 0.947 114 D CB 0.135 40.879 40.800 -0.094 0.000 1.048 114 D HN 0.102 nan 8.370 nan 0.000 0.512 118 S N 0.653 116.375 115.700 0.037 0.000 2.560 118 S HA 0.311 4.780 4.470 -0.003 0.000 0.284 118 S C 1.097 175.605 174.600 -0.153 0.000 1.327 118 S CA -0.256 57.949 58.200 0.008 0.000 1.055 118 S CB -0.023 63.212 63.200 0.058 0.000 0.868 118 S HN 1.105 nan 8.310 nan 0.000 0.506 119 F N 3.616 123.183 119.950 -0.638 0.000 2.115 119 F HA -0.228 4.298 4.527 -0.003 0.000 0.300 119 F C 2.426 177.850 175.800 -0.625 0.000 1.092 119 F CA 2.337 59.563 58.000 -1.290 0.000 1.245 119 F CB -1.073 37.125 39.000 -1.336 0.000 0.995 119 F HN 0.770 nan 8.300 nan 0.000 0.481 120 S N -0.703 114.685 115.700 -0.519 0.000 2.402 120 S HA -0.243 4.226 4.470 -0.003 0.000 0.229 120 S C 2.018 176.471 174.600 -0.244 0.000 1.021 120 S CA 1.138 59.188 58.200 -0.250 0.000 0.974 120 S CB -0.875 62.624 63.200 0.497 0.000 0.800 120 S HN 0.744 nan 8.310 nan 0.000 0.484 121 E N 1.394 121.275 120.200 -0.531 0.000 2.106 121 E HA -0.052 4.296 4.350 -0.003 0.000 0.192 121 E C 2.070 178.462 176.600 -0.347 0.000 0.984 121 E CA 0.950 56.868 56.400 -0.803 0.000 0.806 121 E CB -0.387 28.814 29.700 -0.832 0.000 0.750 121 E HN 0.716 nan 8.360 nan 0.000 0.458 122 A N -0.245 122.388 122.820 -0.311 0.000 1.930 122 A HA -0.083 4.236 4.320 -0.003 0.000 0.215 122 A C 2.173 179.722 177.584 -0.059 0.000 1.176 122 A CA 0.981 52.946 52.037 -0.120 0.000 0.632 122 A CB -0.223 18.749 19.000 -0.046 0.000 0.819 122 A HN 0.470 nan 8.150 nan 0.000 0.445 123 C N -2.303 116.740 119.300 -0.427 0.000 2.865 123 C HA 0.391 4.849 4.460 -0.003 0.000 0.280 123 C C -0.236 174.400 174.990 -0.590 0.000 1.255 123 C CA -0.429 58.233 59.018 -0.593 0.000 1.705 123 C CB -1.199 25.825 27.740 -1.192 0.000 2.080 123 C HN 0.495 nan 8.230 nan 0.000 0.591 124 Y N -0.431 119.767 120.300 -0.169 0.000 2.406 124 Y HA 0.397 4.946 4.550 -0.002 0.000 0.340 124 Y C 0.767 176.642 175.900 -0.041 0.000 0.975 124 Y CA -1.171 56.876 58.100 -0.089 0.000 1.056 124 Y CB 0.658 39.080 38.460 -0.064 0.000 1.210 124 Y HN -0.113 nan 8.280 nan 0.000 0.448 125 L N 0.562 121.873 121.223 0.146 0.000 2.079 125 L HA -0.200 4.139 4.340 -0.003 0.000 0.210 125 L C 1.801 178.673 176.870 0.002 0.000 1.081 125 L CA 1.827 56.702 54.840 0.059 0.000 0.752 125 L CB -0.525 41.573 42.059 0.065 0.000 0.896 125 L HN 0.758 nan 8.230 nan 0.000 0.433 126 T N -1.978 112.581 114.554 0.009 0.000 2.778 126 T HA -0.294 4.054 4.350 -0.003 0.000 0.269 126 T C 1.733 176.291 174.700 -0.237 0.000 1.050 126 T CA 1.754 63.785 62.100 -0.115 0.000 1.137 126 T CB -0.389 68.415 68.868 -0.107 0.000 0.860 126 T HN 0.487 nan 8.240 nan 0.000 0.468 127 H N 0.937 119.886 119.070 -0.203 0.000 2.290 127 H HA -0.017 4.538 4.556 -0.003 0.000 0.298 127 H C 2.491 177.654 175.328 -0.277 0.000 1.087 127 H CA 1.639 57.517 56.048 -0.283 0.000 1.291 127 H CB 0.113 29.892 29.762 0.027 0.000 1.369 127 H HN 0.188 nan 8.280 nan 0.000 0.492 128 R N -0.634 119.905 120.500 0.064 0.000 2.153 128 R HA -0.035 4.304 4.340 -0.003 0.000 0.218 128 R C 2.067 178.319 176.300 -0.082 0.000 1.072 128 R CA 0.675 56.801 56.100 0.044 0.000 0.990 128 R CB 0.091 30.431 30.300 0.067 0.000 0.889 128 R HN 0.237 nan 8.270 nan 0.000 0.452 129 L N 0.271 121.397 121.223 -0.163 0.000 2.042 129 L HA -0.225 4.114 4.340 -0.003 0.000 0.210 129 L C 2.357 179.126 176.870 -0.169 0.000 1.076 129 L CA 1.571 56.288 54.840 -0.206 0.000 0.749 129 L CB -0.901 40.967 42.059 -0.318 0.000 0.893 129 L HN 0.222 nan 8.230 nan 0.000 0.432 130 C N -0.814 118.309 119.300 -0.295 0.000 2.429 130 C HA -0.105 4.354 4.460 -0.003 0.000 0.277 130 C C 2.672 177.622 174.990 -0.066 0.000 1.262 130 C CA 0.268 59.130 59.018 -0.259 0.000 1.733 130 C CB -0.656 26.475 27.740 -1.015 0.000 2.010 130 C HN 0.521 nan 8.230 nan 0.000 0.483 131 E N 0.982 121.104 120.200 -0.130 0.000 2.110 131 E HA -0.125 4.224 4.350 -0.003 0.000 0.193 131 E C 2.220 178.864 176.600 0.073 0.000 0.988 131 E CA 1.488 57.918 56.400 0.051 0.000 0.804 131 E CB -0.435 29.329 29.700 0.107 0.000 0.745 131 E HN 0.681 nan 8.360 nan 0.000 0.458 132 A N 0.584 123.422 122.820 0.031 0.000 2.208 132 A HA -0.022 4.297 4.320 -0.003 0.000 0.209 132 A C 0.594 178.201 177.584 0.037 0.000 1.161 132 A CA 0.235 52.289 52.037 0.028 0.000 0.782 132 A CB -0.208 18.790 19.000 -0.002 0.000 0.816 132 A HN 0.197 nan 8.150 nan 0.000 0.477 133 K N -0.342 120.096 120.400 0.064 0.000 3.096 133 K HA -0.138 4.180 4.320 -0.003 0.000 0.266 133 K C -0.634 175.992 176.600 0.043 0.000 1.043 133 K CA 0.404 56.739 56.287 0.080 0.000 0.758 133 K CB -0.991 31.554 32.500 0.074 0.000 1.260 133 K HN 0.418 nan 8.250 nan 0.000 0.481 134 R N 0.235 120.729 120.500 -0.010 0.000 2.539 134 R HA 0.419 4.757 4.340 -0.003 0.000 0.275 134 R C 0.630 176.889 176.300 -0.068 0.000 1.077 134 R CA 0.158 56.225 56.100 -0.055 0.000 1.097 134 R CB 0.616 30.834 30.300 -0.137 0.000 1.018 134 R HN 0.340 nan 8.270 nan 0.000 0.483 135 A N 3.900 126.676 122.820 -0.073 0.000 2.351 135 A HA 0.332 4.651 4.320 -0.003 0.000 0.257 135 A C -1.454 175.937 177.584 -0.322 0.000 1.087 135 A CA -1.174 50.765 52.037 -0.163 0.000 0.798 135 A CB 0.155 19.090 19.000 -0.109 0.000 1.033 135 A HN 0.494 nan 8.150 nan 0.000 0.488 136 P HA 0.041 nan 4.420 nan 0.000 0.245 136 P C -0.019 177.129 177.300 -0.253 0.000 1.212 136 P CA 0.699 63.629 63.100 -0.282 0.000 0.774 136 P CB 0.254 31.733 31.700 -0.368 0.000 0.999 137 R N -0.562 119.607 120.500 -0.552 0.000 2.750 137 R HA 0.504 4.842 4.340 -0.003 0.000 0.281 137 R C 0.423 176.503 176.300 -0.367 0.000 0.972 137 R CA -1.101 54.692 56.100 -0.511 0.000 0.912 137 R CB 1.492 31.272 30.300 -0.868 0.000 1.187 137 R HN -0.079 nan 8.270 nan 0.000 0.464 138 M N 2.382 121.899 119.600 -0.140 0.000 2.198 138 M HA 0.080 4.558 4.480 -0.003 0.000 0.315 138 M C 1.675 178.046 176.300 0.119 0.000 1.134 138 M CA 0.230 55.526 55.300 -0.007 0.000 1.171 138 M CB 0.350 32.961 32.600 0.019 0.000 1.413 138 M HN 0.640 nan 8.290 nan 0.000 0.467 139 L N 1.061 122.387 121.223 0.173 0.000 2.129 139 L HA -0.257 4.081 4.340 -0.003 0.000 0.212 139 L C 1.700 178.680 176.870 0.184 0.000 1.087 139 L CA 1.358 56.331 54.840 0.223 0.000 0.757 139 L CB -0.745 41.382 42.059 0.114 0.000 0.896 139 L HN 0.738 nan 8.230 nan 0.000 0.434 140 D N -0.593 119.882 120.400 0.124 0.000 2.363 140 D HA -0.017 4.622 4.640 -0.003 0.000 0.226 140 D C 1.473 177.845 176.300 0.118 0.000 1.020 140 D CA 0.888 54.945 54.000 0.095 0.000 0.892 140 D CB 0.100 40.935 40.800 0.057 0.000 0.900 140 D HN 0.321 nan 8.370 nan 0.000 0.531 141 G N -0.025 108.885 108.800 0.185 0.000 2.194 141 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.236 141 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.236 141 G C 0.329 175.262 174.900 0.055 0.000 0.987 141 G CA 0.278 45.484 45.100 0.177 0.000 0.635 141 G HN 0.840 nan 8.290 nan 0.000 0.520 142 S N 0.423 116.140 115.700 0.028 0.000 2.548 142 S HA 0.682 5.150 4.470 -0.003 0.000 0.277 142 S C 0.261 174.840 174.600 -0.035 0.000 1.315 142 S CA -0.520 57.682 58.200 0.004 0.000 1.050 142 S CB 2.283 65.489 63.200 0.011 0.000 0.918 142 S HN 1.180 nan 8.310 nan 0.000 0.497 143 L N 3.736 124.934 121.223 -0.042 0.000 2.397 143 L HA 0.347 4.685 4.340 -0.003 0.000 0.271 143 L C 0.919 177.725 176.870 -0.107 0.000 1.148 143 L CA -0.512 54.273 54.840 -0.092 0.000 0.825 143 L CB 0.134 42.119 42.059 -0.122 0.000 1.117 143 L HN 0.833 nan 8.230 nan 0.000 0.456 144 F N 2.811 122.677 119.950 -0.140 0.000 2.325 144 F HA 0.345 4.871 4.527 -0.003 0.000 0.299 144 F C 0.856 176.598 175.800 -0.097 0.000 1.090 144 F CA 0.296 58.226 58.000 -0.116 0.000 1.392 144 F CB -0.614 38.308 39.000 -0.130 0.000 1.053 144 F HN 0.460 nan 8.300 nan 0.000 0.521 154 R N 1.413 121.838 120.500 -0.125 0.000 2.408 154 R HA 0.545 4.884 4.340 -0.003 0.000 0.308 154 R C -0.077 176.294 176.300 0.119 0.000 1.210 154 R CA 0.307 56.267 56.100 -0.233 0.000 1.115 154 R CB 0.726 30.671 30.300 -0.592 0.000 1.127 154 R HN 0.613 nan 8.270 nan 0.000 0.523 155 S N 0.047 115.935 115.700 0.314 0.000 2.667 155 S HA 0.665 5.134 4.470 -0.003 0.000 0.292 155 S C -0.000 174.819 174.600 0.366 0.000 1.126 155 S CA -0.779 57.611 58.200 0.317 0.000 0.881 155 S CB 2.142 65.526 63.200 0.306 0.000 1.132 155 S HN 0.372 nan 8.310 nan 0.000 0.492 156 T N -1.571 113.083 114.554 0.167 0.000 2.888 156 T HA 0.544 4.893 4.350 -0.003 0.000 0.288 156 T C 1.163 175.709 174.700 -0.256 0.000 1.063 156 T CA -1.056 61.078 62.100 0.057 0.000 1.010 156 T CB 0.345 69.254 68.868 0.069 0.000 1.214 156 T HN 0.466 nan 8.240 nan 0.000 0.533 157 L N 0.606 121.732 121.223 -0.163 0.000 2.129 157 L HA -0.076 4.262 4.340 -0.003 0.000 0.212 157 L C 3.120 179.845 176.870 -0.240 0.000 1.087 157 L CA 1.748 56.461 54.840 -0.211 0.000 0.757 157 L CB -0.907 41.216 42.059 0.106 0.000 0.896 157 L HN 0.938 nan 8.230 nan 0.000 0.434 158 A N -0.433 122.286 122.820 -0.169 0.000 2.125 158 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 158 A C 1.937 179.468 177.584 -0.088 0.000 1.156 158 A CA 1.466 53.425 52.037 -0.131 0.000 0.671 158 A CB -0.294 18.668 19.000 -0.064 0.000 0.794 158 A HN 0.366 nan 8.150 nan 0.000 0.459 159 E N -0.374 119.750 120.200 -0.126 0.000 2.479 159 E HA 0.053 4.401 4.350 -0.003 0.000 0.193 159 E C 0.697 177.325 176.600 0.047 0.000 1.049 159 E CA -0.159 56.227 56.400 -0.022 0.000 0.870 159 E CB -0.018 29.709 29.700 0.044 0.000 0.944 159 E HN 0.719 nan 8.360 nan 0.000 0.492 160 Q N 1.160 120.947 119.800 -0.021 0.000 2.247 160 Q HA -0.054 4.284 4.340 -0.003 0.000 0.288 160 Q C 0.273 176.351 176.000 0.130 0.000 1.079 160 Q CA 0.400 56.299 55.803 0.161 0.000 0.932 160 Q CB 0.449 29.284 28.738 0.161 0.000 1.133 160 Q HN 0.012 nan 8.270 nan 0.000 0.377 161 R N 2.639 123.226 120.500 0.145 0.000 2.096 161 R HA 0.358 4.696 4.340 -0.003 0.000 0.130 161 R C -0.186 176.174 176.300 0.100 0.000 1.990 161 R CA 0.461 56.623 56.100 0.104 0.000 1.660 161 R CB -0.967 29.386 30.300 0.087 0.000 1.387 161 R HN 0.658 nan 8.270 nan 0.000 0.482 162 A N 2.163 125.037 122.820 0.089 0.000 2.483 162 A HA 0.071 4.389 4.320 -0.003 0.000 0.238 162 A C 0.058 177.701 177.584 0.098 0.000 1.070 162 A CA -0.028 52.051 52.037 0.070 0.000 0.770 162 A CB 0.046 19.072 19.000 0.043 0.000 1.008 162 A HN 0.271 nan 8.150 nan 0.000 0.497 163 Q N 1.382 121.226 119.800 0.073 0.000 2.286 163 Q HA 0.297 4.636 4.340 -0.003 0.000 0.265 163 Q C -0.820 175.210 176.000 0.051 0.000 1.080 163 Q CA 0.250 56.110 55.803 0.095 0.000 0.906 163 Q CB -0.240 28.537 28.738 0.065 0.000 1.227 163 Q HN 0.493 nan 8.270 nan 0.000 0.409 164 F N 7.602 127.510 119.950 -0.070 0.000 2.529 164 F HA 0.247 4.772 4.527 -0.003 0.000 0.365 164 F C -1.474 174.210 175.800 -0.193 0.000 1.102 164 F CA -1.958 55.929 58.000 -0.188 0.000 1.271 164 F CB 1.024 39.862 39.000 -0.271 0.000 1.120 164 F HN 0.632 nan 8.300 nan 0.000 0.579 165 P HA -0.025 nan 4.420 nan 0.000 0.249 165 P C -1.398 175.855 177.300 -0.078 0.000 1.229 165 P CA 0.919 63.833 63.100 -0.311 0.000 0.788 165 P CB -0.138 31.353 31.700 -0.348 0.000 1.072 166 Y N -2.179 117.927 120.300 -0.325 0.000 2.625 166 Y HA 0.785 5.333 4.550 -0.003 0.000 0.338 166 Y C -1.101 174.522 175.900 -0.461 0.000 1.123 166 Y CA -1.883 56.064 58.100 -0.256 0.000 1.046 166 Y CB 0.496 38.854 38.460 -0.171 0.000 1.299 166 Y HN -0.040 nan 8.280 nan 0.000 0.464 167 A N 0.668 123.330 122.820 -0.263 0.000 2.686 167 A HA 0.864 5.183 4.320 -0.003 0.000 0.263 167 A C -2.178 175.254 177.584 -0.254 0.000 1.264 167 A CA -1.017 50.807 52.037 -0.355 0.000 0.799 167 A CB 0.833 19.629 19.000 -0.339 0.000 1.363 167 A HN 0.782 nan 8.150 nan 0.000 0.507 168 Y N -0.861 119.512 120.300 0.121 0.000 2.524 168 Y HA 0.580 5.129 4.550 -0.003 0.000 0.344 168 Y C -0.218 175.524 175.900 -0.263 0.000 1.012 168 Y CA -0.308 57.803 58.100 0.019 0.000 1.068 168 Y CB 1.908 40.544 38.460 0.294 0.000 1.249 168 Y HN 0.690 nan 8.280 nan 0.000 0.468 169 H N 2.528 121.671 119.070 0.122 0.000 2.469 169 H HA 0.638 5.193 4.556 -0.003 0.000 0.342 169 H C -1.090 174.274 175.328 0.059 0.000 1.115 169 H CA -0.857 55.173 56.048 -0.028 0.000 1.204 169 H CB 1.350 31.148 29.762 0.059 0.000 1.492 169 H HN 0.587 nan 8.280 nan 0.000 0.499 170 F N -1.142 118.996 119.950 0.313 0.000 2.741 170 F HA 0.253 4.778 4.527 -0.003 0.000 0.313 170 F C -1.116 174.791 175.800 0.177 0.000 1.153 170 F CA -1.509 56.630 58.000 0.232 0.000 0.931 170 F CB 1.219 40.383 39.000 0.274 0.000 1.335 170 F HN 0.291 nan 8.300 nan 0.000 0.460 171 D N 1.607 122.284 120.400 0.462 0.000 2.344 171 D HA 0.301 4.940 4.640 -0.003 0.000 0.253 171 D C 0.926 177.405 176.300 0.299 0.000 1.255 171 D CA 0.411 54.596 54.000 0.308 0.000 0.894 171 D CB 1.752 42.670 40.800 0.197 0.000 1.067 171 D HN 0.792 nan 8.370 nan 0.000 0.492 172 A N 4.445 127.470 122.820 0.340 0.000 2.015 172 A HA -0.164 4.155 4.320 -0.003 0.000 0.219 172 A C 1.728 179.369 177.584 0.096 0.000 1.163 172 A CA 0.982 53.169 52.037 0.250 0.000 0.646 172 A CB -0.027 19.148 19.000 0.292 0.000 0.806 172 A HN 0.557 nan 8.150 nan 0.000 0.448 173 D N -0.124 120.339 120.400 0.106 0.000 2.117 173 D HA -0.131 4.507 4.640 -0.003 0.000 0.197 173 D C 1.836 178.163 176.300 0.046 0.000 0.987 173 D CA 1.186 55.232 54.000 0.076 0.000 0.829 173 D CB -0.191 40.658 40.800 0.082 0.000 0.961 173 D HN 0.326 nan 8.370 nan 0.000 0.460 174 E N 0.513 120.742 120.200 0.049 0.000 2.072 174 E HA -0.086 4.262 4.350 -0.003 0.000 0.191 174 E C 2.436 179.034 176.600 -0.004 0.000 0.985 174 E CA 0.191 56.611 56.400 0.034 0.000 0.801 174 E CB -0.324 29.409 29.700 0.055 0.000 0.750 174 E HN 0.116 nan 8.360 nan 0.000 0.452 175 V N 1.411 121.266 119.914 -0.099 0.000 2.332 175 V HA -0.280 3.839 4.120 -0.003 0.000 0.248 175 V C 2.427 178.469 176.094 -0.086 0.000 1.055 175 V CA 1.900 64.068 62.300 -0.220 0.000 1.038 175 V CB -0.906 30.547 31.823 -0.616 0.000 0.651 175 V HN 0.264 nan 8.190 nan 0.000 0.450 176 A N -0.144 122.648 122.820 -0.046 0.000 1.902 176 A HA -0.261 4.057 4.320 -0.003 0.000 0.217 176 A C 2.406 179.911 177.584 -0.132 0.000 1.181 176 A CA 2.084 54.127 52.037 0.010 0.000 0.623 176 A CB -0.566 18.502 19.000 0.113 0.000 0.818 176 A HN 0.497 nan 8.150 nan 0.000 0.443 177 R N -2.069 118.363 120.500 -0.112 0.000 2.081 177 R HA -0.188 4.151 4.340 -0.003 0.000 0.235 177 R C 2.069 178.257 176.300 -0.187 0.000 1.131 177 R CA 1.863 57.847 56.100 -0.193 0.000 0.960 177 R CB -0.517 29.739 30.300 -0.074 0.000 0.856 177 R HN 0.605 nan 8.270 nan 0.000 0.436 178 Y N 1.083 121.280 120.300 -0.171 0.000 2.128 178 Y HA -0.213 4.335 4.550 -0.003 0.000 0.284 178 Y C 1.816 177.630 175.900 -0.143 0.000 1.154 178 Y CA 1.869 59.892 58.100 -0.128 0.000 1.149 178 Y CB -0.173 38.234 38.460 -0.089 0.000 0.976 178 Y HN 0.052 nan 8.280 nan 0.000 0.505 179 L N -0.354 120.822 121.223 -0.077 0.000 2.141 179 L HA -0.176 4.162 4.340 -0.003 0.000 0.209 179 L C 2.740 179.494 176.870 -0.193 0.000 1.094 179 L CA 1.283 56.076 54.840 -0.079 0.000 0.763 179 L CB -0.840 41.257 42.059 0.063 0.000 0.908 179 L HN 0.357 nan 8.230 nan 0.000 0.437 180 S N -0.099 115.230 115.700 -0.619 0.000 2.368 180 S HA -0.228 4.240 4.470 -0.003 0.000 0.225 180 S C 1.723 175.902 174.600 -0.703 0.000 1.030 180 S CA 1.310 58.712 58.200 -1.330 0.000 0.999 180 S CB -0.354 61.531 63.200 -2.191 0.000 0.844 180 S HN 0.482 nan 8.310 nan 0.000 0.459 181 E N 0.156 120.068 120.200 -0.480 0.000 2.058 181 E HA -0.175 4.173 4.350 -0.003 0.000 0.194 181 E C 1.896 178.358 176.600 -0.231 0.000 0.997 181 E CA 1.582 57.788 56.400 -0.323 0.000 0.801 181 E CB -0.426 29.091 29.700 -0.305 0.000 0.746 181 E HN 0.771 nan 8.360 nan 0.000 0.450 182 Y N 1.114 121.198 120.300 -0.360 0.000 2.128 182 Y HA -0.281 4.268 4.550 -0.003 0.000 0.284 182 Y C 2.249 178.065 175.900 -0.139 0.000 1.154 182 Y CA 1.718 59.669 58.100 -0.248 0.000 1.149 182 Y CB -0.248 38.068 38.460 -0.239 0.000 0.976 182 Y HN 0.016 nan 8.280 nan 0.000 0.505 183 A N 0.175 123.049 122.820 0.090 0.000 1.872 183 A HA -0.114 4.205 4.320 -0.003 0.000 0.214 183 A C 2.226 179.828 177.584 0.029 0.000 1.187 183 A CA 1.766 53.885 52.037 0.136 0.000 0.614 183 A CB -1.048 18.178 19.000 0.377 0.000 0.826 183 A HN 0.563 nan 8.150 nan 0.000 0.442 184 I N -0.016 120.539 120.570 -0.025 0.000 2.226 184 I HA -0.258 3.910 4.170 -0.003 0.000 0.245 184 I C 2.913 178.992 176.117 -0.064 0.000 1.100 184 I CA 0.950 62.237 61.300 -0.021 0.000 1.374 184 I CB -0.303 37.661 38.000 -0.061 0.000 1.057 184 I HN 0.338 nan 8.210 nan 0.000 0.413 185 A N 0.770 123.514 122.820 -0.127 0.000 1.986 185 A HA -0.203 4.115 4.320 -0.003 0.000 0.220 185 A C 2.239 179.728 177.584 -0.158 0.000 1.171 185 A CA 1.610 53.558 52.037 -0.149 0.000 0.640 185 A CB -0.546 18.334 19.000 -0.200 0.000 0.811 185 A HN 0.385 nan 8.150 nan 0.000 0.451 186 R N -1.784 118.604 120.500 -0.188 0.000 2.334 186 R HA 0.282 4.621 4.340 -0.003 0.000 0.220 186 R C 1.051 177.303 176.300 -0.081 0.000 0.917 186 R CA 0.548 56.546 56.100 -0.171 0.000 1.073 186 R CB 0.120 30.261 30.300 -0.265 0.000 1.056 186 R HN 0.672 nan 8.270 nan 0.000 0.506 187 G N 0.105 108.879 108.800 -0.044 0.000 2.168 187 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.197 187 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.197 187 G C 0.087 175.003 174.900 0.026 0.000 0.997 187 G CA -0.346 44.748 45.100 -0.009 0.000 0.658 187 G HN 0.102 nan 8.290 nan 0.000 0.513 188 V N 1.943 121.889 119.914 0.053 0.000 2.529 188 V HA 0.264 4.383 4.120 -0.003 0.000 0.292 188 V C 1.309 177.476 176.094 0.120 0.000 1.028 188 V CA 0.018 62.378 62.300 0.099 0.000 1.074 188 V CB 1.206 33.138 31.823 0.182 0.000 0.958 188 V HN 0.461 nan 8.190 nan 0.000 0.481 189 R N 4.485 125.043 120.500 0.096 0.000 2.267 189 R HA 0.188 4.526 4.340 -0.003 0.000 0.319 189 R C -0.154 176.251 176.300 0.174 0.000 1.067 189 R CA -0.378 55.785 56.100 0.105 0.000 0.936 189 R CB 0.205 30.536 30.300 0.052 0.000 1.006 189 R HN 0.913 nan 8.270 nan 0.000 0.452 190 H N 4.270 123.394 119.070 0.091 0.000 2.556 190 H HA 0.284 4.839 4.556 -0.003 0.000 0.310 190 H C -1.171 174.171 175.328 0.023 0.000 1.057 190 H CA -0.814 55.311 56.048 0.130 0.000 1.264 190 H CB 1.146 31.046 29.762 0.230 0.000 1.404 190 H HN 0.256 nan 8.280 nan 0.000 0.462 191 V N 6.937 126.801 119.914 -0.083 0.000 2.378 191 V HA 0.111 4.230 4.120 -0.003 0.000 0.288 191 V C -0.178 175.730 176.094 -0.309 0.000 1.016 191 V CA -0.784 61.316 62.300 -0.334 0.000 0.840 191 V CB 1.494 33.094 31.823 -0.371 0.000 0.994 191 V HN 0.518 nan 8.190 nan 0.000 0.431 192 V N 4.860 124.573 119.914 -0.336 0.000 2.348 192 V HA 0.595 4.713 4.120 -0.003 0.000 0.270 192 V C -0.244 175.830 176.094 -0.033 0.000 1.037 192 V CA 0.183 62.394 62.300 -0.148 0.000 0.872 192 V CB 1.038 32.790 31.823 -0.118 0.000 1.002 192 V HN 0.961 nan 8.190 nan 0.000 0.464 193 D N 2.163 122.562 120.400 -0.001 0.000 2.755 193 D HA 0.241 4.879 4.640 -0.003 0.000 0.277 193 D C -1.838 174.490 176.300 0.047 0.000 1.261 193 D CA -0.515 53.522 54.000 0.062 0.000 0.759 193 D CB 2.388 43.261 40.800 0.121 0.000 1.279 193 D HN 0.404 nan 8.370 nan 0.000 0.420 194 D N 0.464 120.900 120.400 0.061 0.000 2.168 194 D HA 0.327 4.965 4.640 -0.003 0.000 0.246 194 D C -0.097 176.237 176.300 0.057 0.000 1.050 194 D CA -0.345 53.684 54.000 0.048 0.000 0.857 194 D CB 2.131 42.958 40.800 0.046 0.000 1.169 194 D HN -0.020 nan 8.370 nan 0.000 0.453 195 V N 3.447 123.388 119.914 0.044 0.000 2.427 195 V HA -0.014 4.105 4.120 -0.003 0.000 0.268 195 V C 1.222 177.356 176.094 0.066 0.000 1.046 195 V CA -0.100 62.232 62.300 0.054 0.000 0.970 195 V CB 1.326 33.164 31.823 0.025 0.000 1.001 195 V HN 0.417 nan 8.190 nan 0.000 0.476 196 Q N 2.599 122.461 119.800 0.103 0.000 2.339 196 Q HA 0.165 4.504 4.340 -0.003 0.000 0.205 196 Q C 0.622 176.718 176.000 0.160 0.000 0.925 196 Q CA 0.794 56.661 55.803 0.107 0.000 0.898 196 Q CB 0.543 29.340 28.738 0.099 0.000 1.013 196 Q HN 0.861 nan 8.270 nan 0.000 0.504 197 H N -0.987 118.124 119.070 0.069 0.000 3.046 197 H HA 0.383 4.938 4.556 -0.003 0.000 0.363 197 H C -1.578 173.829 175.328 0.131 0.000 1.203 197 H CA -0.532 55.548 56.048 0.054 0.000 1.169 197 H CB 1.958 31.699 29.762 -0.036 0.000 1.851 197 H HN -0.215 nan 8.280 nan 0.000 0.546 198 V N 3.437 123.031 119.914 -0.534 0.000 2.357 198 V HA 0.373 4.492 4.120 -0.003 0.000 0.284 198 V C 0.879 176.610 176.094 -0.604 0.000 1.018 198 V CA -0.372 61.682 62.300 -0.410 0.000 0.841 198 V CB 1.095 32.735 31.823 -0.305 0.000 0.991 198 V HN 0.812 nan 8.190 nan 0.000 0.437 199 G N 3.885 112.551 108.800 -0.223 0.000 2.420 199 G HA2 0.579 4.538 3.960 -0.003 0.000 0.284 199 G HA3 0.579 4.538 3.960 -0.003 0.000 0.284 199 G C -0.679 174.169 174.900 -0.086 0.000 1.177 199 G CA -0.273 44.813 45.100 -0.023 0.000 0.841 199 G HN 0.647 nan 8.290 nan 0.000 0.527 200 Q N -0.156 119.636 119.800 -0.015 0.000 2.399 200 Q HA 0.360 4.699 4.340 -0.003 0.000 0.276 200 Q C -0.834 175.187 176.000 0.036 0.000 1.098 200 Q CA -0.956 54.842 55.803 -0.008 0.000 0.827 200 Q CB 2.355 31.086 28.738 -0.011 0.000 1.386 200 Q HN 0.758 nan 8.270 nan 0.000 0.443 201 D N -0.933 119.494 120.400 0.045 0.000 2.529 201 D HA -0.024 4.615 4.640 -0.003 0.000 0.273 201 D C 0.635 176.946 176.300 0.018 0.000 1.197 201 D CA -0.446 53.571 54.000 0.029 0.000 1.070 201 D CB 0.377 41.183 40.800 0.010 0.000 1.134 201 D HN 0.676 nan 8.370 nan 0.000 0.590 202 E N -0.894 119.300 120.200 -0.010 0.000 2.338 202 E HA -0.162 4.187 4.350 -0.003 0.000 0.197 202 E C 1.187 177.776 176.600 -0.018 0.000 1.007 202 E CA 0.475 56.867 56.400 -0.014 0.000 0.849 202 E CB -0.133 29.551 29.700 -0.027 0.000 0.774 202 E HN 0.222 nan 8.360 nan 0.000 0.506 203 R N 0.054 120.530 120.500 -0.041 0.000 2.317 203 R HA 0.101 4.439 4.340 -0.003 0.000 0.208 203 R C 1.218 177.608 176.300 0.149 0.000 0.914 203 R CA 0.723 56.809 56.100 -0.024 0.000 1.060 203 R CB 0.655 30.802 30.300 -0.255 0.000 1.015 203 R HN 0.451 nan 8.270 nan 0.000 0.498 204 G N 0.505 109.389 108.800 0.141 0.000 2.157 204 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.248 204 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.248 204 G C -0.351 174.671 174.900 0.204 0.000 0.979 204 G CA -0.085 45.101 45.100 0.144 0.000 0.650 204 G HN 0.171 nan 8.290 nan 0.000 0.529 205 W N 0.450 121.687 121.300 -0.105 0.000 2.161 205 W HA 0.662 5.321 4.660 -0.003 0.000 0.344 205 W C 1.173 177.602 176.519 -0.150 0.000 1.262 205 W CA -1.107 56.157 57.345 -0.136 0.000 1.270 205 W CB 0.223 29.580 29.460 -0.173 0.000 1.126 205 W HN 0.095 nan 8.180 nan 0.000 0.598 206 I N 2.830 123.371 120.570 -0.049 0.000 2.533 206 I HA -0.061 4.107 4.170 -0.003 0.000 0.284 206 I C 1.285 177.303 176.117 -0.165 0.000 1.109 206 I CA 0.348 61.473 61.300 -0.291 0.000 1.412 206 I CB 0.628 38.185 38.000 -0.739 0.000 1.396 206 I HN 0.520 nan 8.210 nan 0.000 0.543 207 S N 3.610 119.229 115.700 -0.135 0.000 2.502 207 S HA 0.413 4.882 4.470 -0.003 0.000 0.215 207 S C 0.608 175.236 174.600 0.047 0.000 1.009 207 S CA 0.113 58.331 58.200 0.030 0.000 0.908 207 S CB 0.765 63.995 63.200 0.050 0.000 0.801 207 S HN 0.891 nan 8.310 nan 0.000 0.505 208 G N 0.628 109.337 108.800 -0.152 0.000 2.355 208 G HA2 0.420 4.379 3.960 -0.003 0.000 0.296 208 G HA3 0.420 4.379 3.960 -0.003 0.000 0.296 208 G C -1.461 173.278 174.900 -0.269 0.000 1.507 208 G CA -0.256 44.783 45.100 -0.101 0.000 0.823 208 G HN 1.003 nan 8.290 nan 0.000 0.569 209 V N -1.292 118.524 119.914 -0.163 0.000 2.417 209 V HA 0.721 4.840 4.120 -0.003 0.000 0.291 209 V C -0.473 175.519 176.094 -0.169 0.000 1.024 209 V CA -1.062 61.157 62.300 -0.135 0.000 0.861 209 V CB 1.379 33.189 31.823 -0.022 0.000 0.985 209 V HN 0.791 nan 8.190 nan 0.000 0.436 210 H N 3.996 123.090 119.070 0.040 0.000 2.594 210 H HA 0.510 5.065 4.556 -0.002 0.000 0.304 210 H C 0.399 175.771 175.328 0.074 0.000 1.068 210 H CA 0.198 56.294 56.048 0.079 0.000 1.308 210 H CB 1.845 31.682 29.762 0.126 0.000 1.409 210 H HN 0.980 nan 8.280 nan 0.000 0.460 211 T N -0.617 114.031 114.554 0.158 0.000 2.945 211 T HA 0.191 4.540 4.350 -0.003 0.000 0.286 211 T C 1.355 176.133 174.700 0.130 0.000 1.025 211 T CA -1.091 61.089 62.100 0.134 0.000 1.039 211 T CB 2.622 71.575 68.868 0.141 0.000 1.068 211 T HN 0.511 nan 8.240 nan 0.000 0.497 212 K N -0.143 120.322 120.400 0.110 0.000 2.057 212 K HA -0.115 4.204 4.320 -0.003 0.000 0.207 212 K C 1.545 178.178 176.600 0.055 0.000 1.049 212 K CA 1.436 57.769 56.287 0.077 0.000 0.931 212 K CB 0.082 32.620 32.500 0.063 0.000 0.714 212 K HN 0.578 nan 8.250 nan 0.000 0.440 213 Q N -1.862 117.978 119.800 0.066 0.000 2.211 213 Q HA 0.055 4.394 4.340 -0.003 0.000 0.242 213 Q C 0.317 176.181 176.000 -0.227 0.000 0.825 213 Q CA 0.456 56.214 55.803 -0.075 0.000 0.951 213 Q CB 0.923 29.577 28.738 -0.140 0.000 1.130 213 Q HN 0.429 nan 8.270 nan 0.000 0.496 214 H N -0.088 118.996 119.070 0.024 0.000 2.674 214 H HA 0.414 4.968 4.556 -0.003 0.000 0.274 214 H C 0.938 176.284 175.328 0.029 0.000 1.121 214 H CA 0.399 56.460 56.048 0.022 0.000 1.132 214 H CB 0.819 30.590 29.762 0.015 0.000 1.606 214 H HN 0.345 nan 8.280 nan 0.000 0.558 215 G N 1.181 110.054 108.800 0.122 0.000 2.564 215 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.273 215 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.273 215 G C -0.033 174.924 174.900 0.095 0.000 1.242 215 G CA -0.034 45.131 45.100 0.109 0.000 0.951 215 G HN 0.484 nan 8.290 nan 0.000 0.564 216 E N 0.084 120.314 120.200 0.049 0.000 2.167 216 E HA 0.495 4.843 4.350 -0.003 0.000 0.284 216 E C 0.060 176.637 176.600 -0.039 0.000 1.016 216 E CA -0.584 55.759 56.400 -0.095 0.000 0.817 216 E CB 0.252 29.851 29.700 -0.169 0.000 1.080 216 E HN 0.419 nan 8.360 nan 0.000 0.397 217 I N 3.640 124.187 120.570 -0.039 0.000 2.312 217 I HA 0.179 4.348 4.170 -0.003 0.000 0.290 217 I C 0.145 176.309 176.117 0.078 0.000 1.008 217 I CA -0.341 60.971 61.300 0.020 0.000 1.226 217 I CB 1.603 39.619 38.000 0.027 0.000 1.371 217 I HN 0.337 nan 8.210 nan 0.000 0.468 218 S N 3.755 119.501 115.700 0.077 0.000 2.607 218 S HA 0.956 5.424 4.470 -0.003 0.000 0.303 218 S C -0.282 174.337 174.600 0.031 0.000 1.086 218 S CA -0.394 57.897 58.200 0.151 0.000 0.995 218 S CB 1.938 65.204 63.200 0.109 0.000 1.084 218 S HN 0.862 nan 8.310 nan 0.000 0.507 219 G N 1.282 110.061 108.800 -0.034 0.000 2.495 219 G HA2 0.331 4.289 3.960 -0.003 0.000 0.294 219 G HA3 0.331 4.289 3.960 -0.003 0.000 0.294 219 G C -0.742 174.061 174.900 -0.161 0.000 1.397 219 G CA -0.500 44.475 45.100 -0.208 0.000 0.790 219 G HN 0.545 nan 8.290 nan 0.000 0.486 220 D N -1.153 119.202 120.400 -0.075 0.000 2.183 220 D HA 0.053 4.692 4.640 -0.003 0.000 0.205 220 D C 0.521 176.942 176.300 0.203 0.000 0.962 220 D CA 0.992 55.083 54.000 0.151 0.000 0.849 220 D CB 0.526 41.439 40.800 0.190 0.000 0.978 220 D HN 0.148 nan 8.370 nan 0.000 0.488 221 L N 0.054 121.229 121.223 -0.081 0.000 2.385 221 L HA 0.415 4.754 4.340 -0.003 0.000 0.273 221 L C -1.632 175.015 176.870 -0.372 0.000 0.990 221 L CA -0.640 54.174 54.840 -0.043 0.000 0.821 221 L CB 1.714 43.710 42.059 -0.104 0.000 1.279 221 L HN -0.311 nan 8.230 nan 0.000 0.412 222 F N 4.245 124.141 119.950 -0.090 0.000 2.469 222 F HA 0.666 5.192 4.527 -0.002 0.000 0.332 222 F C -0.160 175.531 175.800 -0.182 0.000 1.103 222 F CA -0.803 57.127 58.000 -0.118 0.000 0.979 222 F CB 2.092 41.026 39.000 -0.110 0.000 1.137 222 F HN 0.109 nan 8.300 nan 0.000 0.463 223 V N 2.278 122.177 119.914 -0.025 0.000 2.357 223 V HA 0.203 4.321 4.120 -0.003 0.000 0.284 223 V C -0.646 175.412 176.094 -0.061 0.000 1.018 223 V CA -0.798 61.445 62.300 -0.095 0.000 0.841 223 V CB 1.487 33.234 31.823 -0.126 0.000 0.991 223 V HN 0.598 nan 8.190 nan 0.000 0.437 224 D N 3.879 124.238 120.400 -0.069 0.000 2.393 224 D HA 0.195 4.833 4.640 -0.003 0.000 0.232 224 D C 0.068 176.327 176.300 -0.067 0.000 1.192 224 D CA -0.149 53.817 54.000 -0.057 0.000 0.882 224 D CB 0.974 41.744 40.800 -0.050 0.000 1.038 224 D HN 0.601 nan 8.370 nan 0.000 0.499 225 C N 3.183 122.434 119.300 -0.082 0.000 2.557 225 C HA 0.131 4.589 4.460 -0.003 0.000 0.281 225 C C 1.772 176.706 174.990 -0.094 0.000 1.490 225 C CA -0.336 58.625 59.018 -0.095 0.000 1.771 225 C CB -1.304 26.359 27.740 -0.129 0.000 2.887 225 C HN 0.693 nan 8.230 nan 0.000 0.527 226 T N -1.890 112.618 114.554 -0.078 0.000 3.219 226 T HA 0.417 4.766 4.350 -0.003 0.000 0.249 226 T C 1.246 175.887 174.700 -0.097 0.000 1.099 226 T CA 0.793 62.849 62.100 -0.074 0.000 0.988 226 T CB 0.016 68.852 68.868 -0.053 0.000 0.999 226 T HN 0.926 nan 8.240 nan 0.000 0.550 227 G N 1.630 110.350 108.800 -0.134 0.000 2.569 227 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.259 227 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.259 227 G C 0.247 175.049 174.900 -0.162 0.000 1.263 227 G CA -0.035 44.916 45.100 -0.248 0.000 0.928 227 G HN 0.208 nan 8.290 nan 0.000 0.572 228 F N 0.912 120.783 119.950 -0.132 0.000 2.192 228 F HA -0.071 4.454 4.527 -0.003 0.000 0.301 228 F C 2.846 178.542 175.800 -0.173 0.000 1.079 228 F CA 2.017 59.903 58.000 -0.190 0.000 1.303 228 F CB -0.639 38.226 39.000 -0.224 0.000 1.024 228 F HN 0.517 nan 8.300 nan 0.000 0.494 229 R N 0.754 121.278 120.500 0.039 0.000 2.119 229 R HA -0.144 4.195 4.340 -0.003 0.000 0.246 229 R C 1.497 177.781 176.300 -0.026 0.000 1.146 229 R CA 1.325 57.421 56.100 -0.007 0.000 0.962 229 R CB -0.840 29.449 30.300 -0.018 0.000 0.863 229 R HN 0.372 nan 8.270 nan 0.000 0.442 230 G N 1.085 109.871 108.800 -0.024 0.000 2.393 230 G HA2 -0.271 3.688 3.960 -0.003 0.000 0.299 230 G HA3 -0.271 3.688 3.960 -0.003 0.000 0.299 230 G C 0.438 175.321 174.900 -0.028 0.000 0.990 230 G CA 0.535 45.623 45.100 -0.020 0.000 1.118 230 G HN 0.394 nan 8.290 nan 0.000 0.513 231 L N -0.655 120.546 121.223 -0.035 0.000 2.043 231 L HA -0.051 4.287 4.340 -0.003 0.000 0.212 231 L C 2.650 179.484 176.870 -0.059 0.000 1.075 231 L CA 2.499 57.314 54.840 -0.042 0.000 0.752 231 L CB -0.266 41.768 42.059 -0.041 0.000 0.891 231 L HN 0.506 nan 8.230 nan 0.000 0.432 232 L N -1.957 119.227 121.223 -0.066 0.000 2.116 232 L HA -0.063 4.275 4.340 -0.003 0.000 0.200 232 L C 2.413 179.239 176.870 -0.073 0.000 1.084 232 L CA 0.806 55.590 54.840 -0.092 0.000 0.766 232 L CB -0.576 41.422 42.059 -0.101 0.000 0.930 232 L HN 0.188 nan 8.230 nan 0.000 0.453 233 I N 0.470 121.012 120.570 -0.047 0.000 2.286 233 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 233 I C 1.761 177.875 176.117 -0.005 0.000 1.115 233 I CA 1.879 63.164 61.300 -0.025 0.000 1.392 233 I CB -0.228 37.773 38.000 0.002 0.000 1.065 233 I HN 0.281 nan 8.210 nan 0.000 0.418 234 N N -1.275 117.425 118.700 -0.001 0.000 2.511 234 N HA 0.014 4.753 4.740 -0.003 0.000 0.190 234 N C 1.627 177.132 175.510 -0.008 0.000 1.037 234 N CA 0.344 53.400 53.050 0.011 0.000 0.895 234 N CB -0.095 38.403 38.487 0.018 0.000 1.149 234 N HN 0.245 nan 8.380 nan 0.000 0.437 235 Q N -0.044 119.742 119.800 -0.022 0.000 2.230 235 Q HA 0.018 4.356 4.340 -0.003 0.000 0.202 235 Q C 1.059 177.039 176.000 -0.034 0.000 0.963 235 Q CA 1.210 56.998 55.803 -0.025 0.000 0.866 235 Q CB 0.139 28.861 28.738 -0.027 0.000 0.931 235 Q HN 0.380 nan 8.270 nan 0.000 0.452 236 T N 0.446 114.968 114.554 -0.053 0.000 2.988 236 T HA 0.120 4.469 4.350 -0.003 0.000 0.240 236 T C 1.659 176.324 174.700 -0.059 0.000 1.014 236 T CA 0.309 62.366 62.100 -0.071 0.000 1.155 236 T CB 0.102 68.898 68.868 -0.119 0.000 0.872 236 T HN 0.087 nan 8.240 nan 0.000 0.440 237 L N 0.804 121.991 121.223 -0.060 0.000 2.592 237 L HA 0.314 4.652 4.340 -0.003 0.000 0.227 237 L C 1.717 178.571 176.870 -0.027 0.000 1.127 237 L CA 0.223 55.030 54.840 -0.055 0.000 0.884 237 L CB -0.299 41.714 42.059 -0.078 0.000 1.065 237 L HN 0.553 nan 8.230 nan 0.000 0.457 238 G N 0.511 109.303 108.800 -0.014 0.000 2.160 238 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.251 238 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.251 238 G C 0.625 175.533 174.900 0.014 0.000 1.008 238 G CA -0.034 45.068 45.100 0.002 0.000 0.724 238 G HN 0.510 nan 8.290 nan 0.000 0.514 239 G N -0.421 108.390 108.800 0.018 0.000 2.353 239 G HA2 0.391 4.350 3.960 -0.003 0.000 0.239 239 G HA3 0.391 4.350 3.960 -0.003 0.000 0.239 239 G C 0.364 175.300 174.900 0.061 0.000 1.295 239 G CA -0.319 44.803 45.100 0.036 0.000 0.884 239 G HN 0.568 nan 8.290 nan 0.000 0.537 240 R N 1.229 121.763 120.500 0.056 0.000 2.234 240 R HA 0.173 4.511 4.340 -0.003 0.000 0.324 240 R C -0.835 175.522 176.300 0.094 0.000 1.054 240 R CA -0.479 55.663 56.100 0.070 0.000 0.912 240 R CB 1.050 31.372 30.300 0.036 0.000 1.030 240 R HN 0.479 nan 8.270 nan 0.000 0.455 241 F N 2.903 122.848 119.950 -0.008 0.000 2.420 241 F HA 0.092 4.618 4.527 -0.002 0.000 0.352 241 F C 0.316 176.103 175.800 -0.021 0.000 1.108 241 F CA -0.189 57.798 58.000 -0.021 0.000 1.162 241 F CB 1.050 40.032 39.000 -0.030 0.000 1.118 241 F HN 0.341 nan 8.300 nan 0.000 0.510 242 Q N 5.471 124.914 119.800 -0.597 0.000 2.360 242 Q HA 0.212 4.551 4.340 -0.003 0.000 0.254 242 Q C -0.518 175.185 176.000 -0.494 0.000 0.975 242 Q CA -0.442 55.159 55.803 -0.337 0.000 0.912 242 Q CB 1.056 29.687 28.738 -0.178 0.000 1.212 242 Q HN 0.723 nan 8.270 nan 0.000 0.452 243 S N 3.451 119.095 115.700 -0.094 0.000 2.565 243 S HA 0.205 4.674 4.470 -0.003 0.000 0.276 243 S C 0.045 174.748 174.600 0.170 0.000 1.326 243 S CA -0.458 57.763 58.200 0.034 0.000 1.045 243 S CB 0.262 63.557 63.200 0.158 0.000 0.918 243 S HN 0.598 nan 8.310 nan 0.000 0.505 244 F N 2.723 122.718 119.950 0.075 0.000 2.645 244 F HA 0.297 4.823 4.527 -0.002 0.000 0.300 244 F C 2.119 177.957 175.800 0.064 0.000 1.115 244 F CA -0.592 57.444 58.000 0.060 0.000 1.355 244 F CB -1.229 37.815 39.000 0.073 0.000 1.026 244 F HN 0.482 nan 8.300 nan 0.000 0.536 245 S N 0.587 116.421 115.700 0.222 0.000 2.400 245 S HA -0.201 4.267 4.470 -0.003 0.000 0.232 245 S C 1.859 176.520 174.600 0.102 0.000 1.025 245 S CA 1.672 59.955 58.200 0.138 0.000 0.993 245 S CB -0.273 62.984 63.200 0.095 0.000 0.808 245 S HN 0.550 nan 8.310 nan 0.000 0.478 246 D N 1.489 121.952 120.400 0.104 0.000 2.178 246 D HA -0.095 4.543 4.640 -0.003 0.000 0.202 246 D C 1.798 178.126 176.300 0.046 0.000 0.974 246 D CA 1.464 55.504 54.000 0.066 0.000 0.841 246 D CB -0.601 40.237 40.800 0.063 0.000 0.953 246 D HN 0.519 nan 8.370 nan 0.000 0.478 247 V N -2.915 117.035 119.914 0.059 0.000 3.523 247 V HA 0.338 4.456 4.120 -0.003 0.000 0.255 247 V C 0.821 176.924 176.094 0.014 0.000 1.226 247 V CA -0.196 62.119 62.300 0.025 0.000 1.092 247 V CB -0.174 31.652 31.823 0.005 0.000 0.817 247 V HN 0.045 nan 8.190 nan 0.000 0.458 248 L N 2.503 123.764 121.223 0.063 0.000 2.462 248 L HA 0.488 4.826 4.340 -0.003 0.000 0.255 248 L C -1.951 174.956 176.870 0.062 0.000 1.076 248 L CA -1.107 53.763 54.840 0.049 0.000 0.920 248 L CB 2.419 44.584 42.059 0.177 0.000 1.214 248 L HN 0.018 nan 8.230 nan 0.000 0.472 249 P HA -0.016 nan 4.420 nan 0.000 0.241 249 P C -0.069 177.279 177.300 0.080 0.000 1.191 249 P CA 0.146 63.273 63.100 0.044 0.000 0.771 249 P CB 0.174 31.894 31.700 0.035 0.000 0.929 250 N N 2.607 121.367 118.700 0.100 0.000 2.447 250 N HA -0.021 4.718 4.740 -0.003 0.000 0.263 250 N C 0.994 176.537 175.510 0.055 0.000 1.226 250 N CA 0.425 53.539 53.050 0.108 0.000 0.906 250 N CB 0.033 38.647 38.487 0.211 0.000 1.060 250 N HN 0.294 nan 8.380 nan 0.000 0.468 251 N N 1.004 119.659 118.700 -0.076 0.000 2.113 251 N HA 0.085 4.823 4.740 -0.003 0.000 0.223 251 N C -0.210 175.178 175.510 -0.203 0.000 1.310 251 N CA 0.040 53.031 53.050 -0.098 0.000 0.896 251 N CB 0.949 39.385 38.487 -0.084 0.000 1.097 251 N HN 0.306 nan 8.380 nan 0.000 0.507 252 R N -0.378 119.876 120.500 -0.410 0.000 2.836 252 R HA 0.869 5.207 4.340 -0.003 0.000 0.269 252 R C -1.444 174.558 176.300 -0.496 0.000 1.010 252 R CA -0.871 54.924 56.100 -0.509 0.000 0.930 252 R CB 2.225 32.034 30.300 -0.820 0.000 1.218 252 R HN 0.126 nan 8.270 nan 0.000 0.473 253 A N 0.592 123.310 122.820 -0.169 0.000 2.587 253 A HA 0.695 5.014 4.320 -0.003 0.000 0.293 253 A C -1.716 175.906 177.584 0.062 0.000 1.087 253 A CA -0.659 51.383 52.037 0.009 0.000 0.692 253 A CB 2.284 21.367 19.000 0.139 0.000 1.291 253 A HN 0.368 nan 8.150 nan 0.000 0.407 254 V N 0.494 120.387 119.914 -0.036 0.000 2.686 254 V HA 0.837 4.955 4.120 -0.003 0.000 0.306 254 V C -0.308 175.625 176.094 -0.268 0.000 1.065 254 V CA 0.290 62.435 62.300 -0.258 0.000 0.894 254 V CB 1.392 32.959 31.823 -0.427 0.000 1.004 254 V HN 2.070 nan 8.190 nan 0.000 0.424 255 A N 6.635 129.325 122.820 -0.217 0.000 2.413 255 A HA 0.973 5.291 4.320 -0.003 0.000 0.307 255 A C -1.507 176.009 177.584 -0.112 0.000 1.087 255 A CA -0.718 51.210 52.037 -0.182 0.000 0.750 255 A CB 1.807 20.836 19.000 0.048 0.000 1.296 255 A HN 0.920 nan 8.150 nan 0.000 0.423 256 L N 0.778 121.940 121.223 -0.101 0.000 2.388 256 L HA 0.577 4.916 4.340 -0.003 0.000 0.264 256 L C -0.130 176.739 176.870 -0.001 0.000 0.998 256 L CA -0.607 54.201 54.840 -0.053 0.000 0.817 256 L CB 2.443 44.454 42.059 -0.081 0.000 1.338 256 L HN 0.804 nan 8.230 nan 0.000 0.414 257 R N 1.607 122.118 120.500 0.018 0.000 2.229 257 R HA 0.546 4.885 4.340 -0.003 0.000 0.332 257 R C -1.290 175.016 176.300 0.010 0.000 0.989 257 R CA -0.498 55.623 56.100 0.035 0.000 0.842 257 R CB 1.619 31.948 30.300 0.049 0.000 1.119 257 R HN 0.249 nan 8.270 nan 0.000 0.456 258 V N 6.104 126.020 119.914 0.003 0.000 2.304 258 V HA 0.266 4.385 4.120 -0.003 0.000 0.278 258 V C -2.149 173.935 176.094 -0.017 0.000 1.018 258 V CA -2.325 59.966 62.300 -0.015 0.000 0.814 258 V CB 1.402 33.206 31.823 -0.032 0.000 1.021 258 V HN 0.633 nan 8.190 nan 0.000 0.440 259 P HA 0.168 nan 4.420 nan 0.000 0.267 259 P C -0.325 176.947 177.300 -0.047 0.000 1.200 259 P CA -0.148 62.936 63.100 -0.027 0.000 0.772 259 P CB 0.594 32.280 31.700 -0.022 0.000 0.855 260 R N 1.999 122.459 120.500 -0.066 0.000 2.229 260 R HA 0.102 4.440 4.340 -0.003 0.000 0.328 260 R C 1.227 177.463 176.300 -0.105 0.000 1.009 260 R CA -0.173 55.873 56.100 -0.091 0.000 0.864 260 R CB 0.463 30.694 30.300 -0.114 0.000 1.085 260 R HN 0.388 nan 8.270 nan 0.000 0.453 261 E N 2.767 122.910 120.200 -0.094 0.000 2.028 261 E HA -0.080 4.269 4.350 -0.003 0.000 0.190 261 E C -0.559 175.966 176.600 -0.124 0.000 0.984 261 E CA 1.402 57.747 56.400 -0.092 0.000 0.800 261 E CB 0.241 29.899 29.700 -0.071 0.000 0.758 261 E HN 0.583 nan 8.360 nan 0.000 0.448 262 N N 1.069 119.686 118.700 -0.138 0.000 2.444 262 N HA 0.110 4.848 4.740 -0.003 0.000 0.262 262 N C -0.493 174.860 175.510 -0.261 0.000 0.974 262 N CA -0.312 52.634 53.050 -0.173 0.000 0.933 262 N CB 1.596 40.008 38.487 -0.125 0.000 1.137 262 N HN -0.032 nan 8.380 nan 0.000 0.498 263 D N 1.175 121.321 120.400 -0.423 0.000 2.158 263 D HA -0.167 4.472 4.640 -0.003 0.000 0.197 263 D C 0.986 176.925 176.300 -0.601 0.000 0.995 263 D CA 1.319 54.834 54.000 -0.810 0.000 0.846 263 D CB 0.249 40.121 40.800 -1.546 0.000 0.941 263 D HN 0.562 nan 8.370 nan 0.000 0.456 264 E N 0.698 120.691 120.200 -0.346 0.000 2.482 264 E HA -0.074 4.275 4.350 -0.003 0.000 0.196 264 E C 0.858 177.410 176.600 -0.081 0.000 1.047 264 E CA 0.283 56.598 56.400 -0.142 0.000 0.869 264 E CB -0.039 29.613 29.700 -0.081 0.000 0.836 264 E HN 0.312 nan 8.360 nan 0.000 0.520 265 D N 0.173 120.506 120.400 -0.111 0.000 2.363 265 D HA -0.047 4.591 4.640 -0.003 0.000 0.220 265 D C 0.864 177.120 176.300 -0.072 0.000 0.994 265 D CA 0.175 54.128 54.000 -0.078 0.000 0.890 265 D CB -0.171 40.577 40.800 -0.086 0.000 0.906 265 D HN 0.192 nan 8.370 nan 0.000 0.530 266 M N 1.376 120.945 119.600 -0.053 0.000 2.356 266 M HA -0.000 4.478 4.480 -0.003 0.000 0.348 266 M C -0.258 176.016 176.300 -0.043 0.000 1.595 266 M CA 0.209 55.499 55.300 -0.017 0.000 1.095 266 M CB 0.262 32.923 32.600 0.102 0.000 1.963 266 M HN -0.293 nan 8.290 nan 0.000 0.459 267 R N 7.067 127.465 120.500 -0.170 0.000 2.308 267 R HA 0.303 4.641 4.340 -0.003 0.000 0.305 267 R C -1.949 174.204 176.300 -0.245 0.000 1.053 267 R CA -1.440 54.420 56.100 -0.401 0.000 0.957 267 R CB 0.407 30.130 30.300 -0.960 0.000 1.022 267 R HN 0.471 nan 8.270 nan 0.000 0.461 268 P HA 0.010 nan 4.420 nan 0.000 0.235 268 P C -1.632 175.860 177.300 0.320 0.000 1.725 268 P CA 0.193 63.390 63.100 0.161 0.000 0.894 268 P CB -0.175 31.620 31.700 0.159 0.000 1.704 269 Y N -4.597 115.899 120.300 0.326 0.000 2.662 269 Y HA 0.521 5.069 4.550 -0.003 0.000 0.334 269 Y C -0.678 175.413 175.900 0.319 0.000 1.185 269 Y CA -1.347 56.948 58.100 0.325 0.000 1.074 269 Y CB -0.013 38.579 38.460 0.221 0.000 1.330 269 Y HN -0.375 nan 8.280 nan 0.000 0.458 270 T N 2.015 116.878 114.554 0.515 0.000 2.889 270 T HA 0.530 4.879 4.350 -0.003 0.000 0.291 270 T C -0.434 174.410 174.700 0.240 0.000 0.995 270 T CA -0.230 62.038 62.100 0.280 0.000 1.092 270 T CB 0.985 70.019 68.868 0.278 0.000 0.954 270 T HN 0.684 nan 8.240 nan 0.000 0.506 271 T N 2.284 116.937 114.554 0.164 0.000 2.855 271 T HA 0.649 4.997 4.350 -0.003 0.000 0.281 271 T C -0.411 174.351 174.700 0.103 0.000 1.007 271 T CA -0.700 61.452 62.100 0.087 0.000 1.009 271 T CB 1.414 70.343 68.868 0.103 0.000 0.983 271 T HN 0.658 nan 8.240 nan 0.000 0.455 272 A N 2.614 125.406 122.820 -0.046 0.000 2.360 272 A HA 0.621 4.939 4.320 -0.003 0.000 0.309 272 A C 0.075 177.909 177.584 0.416 0.000 1.311 272 A CA -0.703 51.458 52.037 0.208 0.000 0.805 272 A CB 0.355 19.146 19.000 -0.348 0.000 1.144 272 A HN 0.690 nan 8.150 nan 0.000 0.486 273 T N 2.480 117.261 114.554 0.378 0.000 2.743 273 T HA 0.539 4.888 4.350 -0.003 0.000 0.292 273 T C 0.543 175.253 174.700 0.017 0.000 0.972 273 T CA 0.074 62.277 62.100 0.172 0.000 0.967 273 T CB 1.232 70.120 68.868 0.034 0.000 0.926 273 T HN 0.985 nan 8.240 nan 0.000 0.459 274 A N 5.881 128.470 122.820 -0.386 0.000 2.520 274 A HA 0.526 4.845 4.320 -0.003 0.000 0.245 274 A C 0.448 177.904 177.584 -0.214 0.000 1.072 274 A CA -0.134 51.541 52.037 -0.604 0.000 0.761 274 A CB -0.042 18.243 19.000 -1.192 0.000 1.004 274 A HN 0.720 nan 8.150 nan 0.000 0.499 275 M N 1.737 121.309 119.600 -0.048 0.000 2.840 275 M HA 0.263 4.741 4.480 -0.003 0.000 0.283 275 M C 1.754 178.149 176.300 0.158 0.000 1.136 275 M CA 0.039 55.273 55.300 -0.111 0.000 0.857 275 M CB 0.828 33.107 32.600 -0.535 0.000 1.644 275 M HN 0.914 nan 8.290 nan 0.000 0.520 276 S N 0.146 115.906 115.700 0.100 0.000 2.402 276 S HA 0.061 4.529 4.470 -0.003 0.000 0.229 276 S C 0.947 175.592 174.600 0.075 0.000 1.021 276 S CA 1.001 59.308 58.200 0.179 0.000 0.974 276 S CB -0.165 63.102 63.200 0.111 0.000 0.800 276 S HN 0.747 nan 8.310 nan 0.000 0.484 277 A N -0.443 122.313 122.820 -0.107 0.000 2.676 277 A HA 0.739 5.057 4.320 -0.003 0.000 0.258 277 A C 0.584 177.511 177.584 -1.095 0.000 0.898 277 A CA -0.054 51.582 52.037 -0.668 0.000 1.087 277 A CB -0.042 18.840 19.000 -0.196 0.000 1.214 277 A HN 1.180 nan 8.150 nan 0.000 0.474 278 G N -0.586 107.745 108.800 -0.781 0.000 2.491 278 G HA2 0.372 4.331 3.960 -0.003 0.000 0.183 278 G HA3 0.372 4.331 3.960 -0.003 0.000 0.183 278 G C -1.365 173.704 174.900 0.282 0.000 1.221 278 G CA 0.146 45.105 45.100 -0.236 0.000 0.996 278 G HN 1.280 nan 8.290 nan 0.000 0.474 279 W N -0.779 120.663 121.300 0.237 0.000 3.137 279 W HA 0.758 5.417 4.660 -0.002 0.000 0.324 279 W C -1.601 174.997 176.519 0.132 0.000 1.253 279 W CA -1.473 55.936 57.345 0.106 0.000 1.183 279 W CB 1.211 30.806 29.460 0.224 0.000 1.424 279 W HN 0.773 nan 8.180 nan 0.000 0.566 280 M N 3.503 123.147 119.600 0.075 0.000 2.311 280 M HA 0.406 4.885 4.480 -0.003 0.000 0.325 280 M C -1.067 175.314 176.300 0.135 0.000 1.061 280 M CA -0.520 54.664 55.300 -0.194 0.000 0.957 280 M CB 2.023 34.445 32.600 -0.296 0.000 1.646 280 M HN 0.512 nan 8.290 nan 0.000 0.434 281 W N 4.194 125.475 121.300 -0.033 0.000 2.313 281 W HA 0.696 5.355 4.660 -0.003 0.000 0.328 281 W C -1.583 174.973 176.519 0.061 0.000 1.197 281 W CA -0.531 56.926 57.345 0.186 0.000 1.235 281 W CB 0.354 29.943 29.460 0.215 0.000 1.158 281 W HN 0.528 nan 8.180 nan 0.000 0.578 282 T N 5.261 120.026 114.554 0.352 0.000 2.847 282 T HA 0.457 4.805 4.350 -0.003 0.000 0.291 282 T C -0.708 174.090 174.700 0.164 0.000 0.998 282 T CA -0.445 61.775 62.100 0.198 0.000 0.967 282 T CB 0.418 69.315 68.868 0.049 0.000 0.954 282 T HN 0.402 nan 8.240 nan 0.000 0.441 283 I N 5.583 126.250 120.570 0.162 0.000 2.390 283 I HA 0.303 4.472 4.170 -0.003 0.000 0.283 283 I C -2.426 173.568 176.117 -0.206 0.000 1.016 283 I CA -2.592 58.627 61.300 -0.134 0.000 1.151 283 I CB 2.095 40.079 38.000 -0.026 0.000 1.293 283 I HN 0.263 nan 8.210 nan 0.000 0.458 284 P HA 0.275 nan 4.420 nan 0.000 0.280 284 P C -0.588 176.696 177.300 -0.026 0.000 1.300 284 P CA 0.028 63.026 63.100 -0.170 0.000 0.785 284 P CB 0.467 32.069 31.700 -0.165 0.000 0.874 285 L N 2.802 124.057 121.223 0.054 0.000 2.416 285 L HA 0.458 4.797 4.340 -0.003 0.000 0.263 285 L C 0.700 177.678 176.870 0.179 0.000 1.065 285 L CA -1.131 53.799 54.840 0.150 0.000 0.798 285 L CB 0.453 42.605 42.059 0.155 0.000 1.267 285 L HN 0.226 nan 8.230 nan 0.000 0.467 286 F N 2.222 122.211 119.950 0.065 0.000 2.533 286 F HA 0.043 4.568 4.527 -0.003 0.000 0.378 286 F C 0.704 176.557 175.800 0.088 0.000 1.070 286 F CA 0.318 58.360 58.000 0.069 0.000 1.172 286 F CB -0.045 38.956 39.000 0.002 0.000 1.085 286 F HN 0.423 nan 8.300 nan 0.000 0.552 287 K N 2.689 122.948 120.400 -0.235 0.000 3.573 287 K HA -0.218 4.100 4.320 -0.003 0.000 0.280 287 K C -0.348 176.215 176.600 -0.062 0.000 1.257 287 K CA 1.308 57.494 56.287 -0.168 0.000 0.990 287 K CB -1.229 31.209 32.500 -0.103 0.000 1.297 287 K HN 0.895 nan 8.250 nan 0.000 0.488 288 R N 0.041 120.532 120.500 -0.015 0.000 2.692 288 R HA 0.479 4.818 4.340 -0.003 0.000 0.269 288 R C -1.731 174.575 176.300 0.009 0.000 1.030 288 R CA -0.984 55.114 56.100 -0.004 0.000 0.882 288 R CB 1.241 31.555 30.300 0.022 0.000 1.250 288 R HN -0.249 nan 8.270 nan 0.000 0.465 289 D N 0.466 120.866 120.400 -0.001 0.000 2.181 289 D HA 0.373 5.011 4.640 -0.003 0.000 0.248 289 D C -0.268 176.063 176.300 0.052 0.000 1.020 289 D CA -0.154 53.852 54.000 0.009 0.000 0.891 289 D CB 1.954 42.742 40.800 -0.019 0.000 1.187 289 D HN 0.671 nan 8.370 nan 0.000 0.443 290 G N 1.315 110.184 108.800 0.114 0.000 2.335 290 G HA2 0.327 4.285 3.960 -0.003 0.000 0.316 290 G HA3 0.327 4.285 3.960 -0.003 0.000 0.316 290 G C -0.193 174.829 174.900 0.204 0.000 1.129 290 G CA -0.554 44.670 45.100 0.207 0.000 0.899 290 G HN 0.280 nan 8.290 nan 0.000 0.448 291 N N 0.489 119.180 118.700 -0.016 0.000 2.321 291 N HA 0.661 5.400 4.740 -0.003 0.000 0.299 291 N C -0.361 174.669 175.510 -0.801 0.000 1.048 291 N CA -0.314 52.530 53.050 -0.344 0.000 0.836 291 N CB 2.475 40.819 38.487 -0.238 0.000 1.269 291 N HN 0.676 nan 8.380 nan 0.000 0.486 292 G N 0.917 108.693 108.800 -1.708 0.000 2.740 292 G HA2 0.298 4.256 3.960 -0.003 0.000 0.296 292 G HA3 0.298 4.256 3.960 -0.003 0.000 0.296 292 G C -1.936 172.231 174.900 -1.222 0.000 1.439 292 G CA -0.273 43.641 45.100 -1.977 0.000 1.066 292 G HN 0.341 nan 8.290 nan 0.000 0.527 293 Y N 3.387 123.228 120.300 -0.766 0.000 2.385 293 Y HA 0.558 5.107 4.550 -0.002 0.000 0.341 293 Y C -0.416 175.310 175.900 -0.290 0.000 0.965 293 Y CA -1.481 56.335 58.100 -0.473 0.000 1.180 293 Y CB 1.386 39.661 38.460 -0.308 0.000 1.139 293 Y HN 0.284 nan 8.280 nan 0.000 0.502 294 V N 9.406 129.246 119.914 -0.122 0.000 2.407 294 V HA 0.357 4.476 4.120 -0.003 0.000 0.278 294 V C -0.782 175.310 176.094 -0.004 0.000 1.037 294 V CA -0.442 61.770 62.300 -0.146 0.000 0.900 294 V CB 0.352 31.955 31.823 -0.367 0.000 0.983 294 V HN 0.681 nan 8.190 nan 0.000 0.459 295 Y N 2.019 122.212 120.300 -0.178 0.000 2.655 295 Y HA 0.753 5.302 4.550 -0.003 0.000 0.336 295 Y C -0.401 175.469 175.900 -0.051 0.000 1.154 295 Y CA -1.219 56.748 58.100 -0.221 0.000 1.055 295 Y CB 1.746 39.872 38.460 -0.557 0.000 1.295 295 Y HN 0.396 nan 8.280 nan 0.000 0.465 296 S N 0.857 116.654 115.700 0.162 0.000 2.429 296 S HA 0.210 4.678 4.470 -0.003 0.000 0.302 296 S C 0.110 174.899 174.600 0.316 0.000 1.115 296 S CA -0.254 58.070 58.200 0.207 0.000 1.095 296 S CB 0.321 63.782 63.200 0.435 0.000 0.987 296 S HN 0.791 nan 8.310 nan 0.000 0.474 297 D N 3.662 124.157 120.400 0.158 0.000 2.371 297 D HA -0.095 4.543 4.640 -0.003 0.000 0.221 297 D C 1.101 177.448 176.300 0.079 0.000 0.986 297 D CA 0.664 54.782 54.000 0.196 0.000 0.899 297 D CB -0.156 40.717 40.800 0.121 0.000 0.902 297 D HN 0.756 nan 8.370 nan 0.000 0.530 298 E N -0.887 119.330 120.200 0.030 0.000 2.204 298 E HA -0.129 4.219 4.350 -0.003 0.000 0.195 298 E C 0.759 177.118 176.600 -0.402 0.000 0.990 298 E CA 0.856 57.121 56.400 -0.226 0.000 0.821 298 E CB -0.137 29.321 29.700 -0.403 0.000 0.750 298 E HN 0.437 nan 8.360 nan 0.000 0.477 299 F N -0.758 119.243 119.950 0.085 0.000 2.727 299 F HA 0.354 4.880 4.527 -0.002 0.000 0.302 299 F C 0.686 176.502 175.800 0.026 0.000 1.107 299 F CA -0.071 57.976 58.000 0.077 0.000 1.277 299 F CB 1.190 40.284 39.000 0.157 0.000 1.079 299 F HN -0.170 nan 8.300 nan 0.000 0.594 300 I N -0.381 120.277 120.570 0.146 0.000 2.842 300 I HA 0.288 4.457 4.170 -0.003 0.000 0.297 300 I C -0.496 175.593 176.117 -0.046 0.000 1.380 300 I CA -0.721 60.573 61.300 -0.009 0.000 1.018 300 I CB 1.638 39.546 38.000 -0.153 0.000 1.311 300 I HN -0.062 nan 8.210 nan 0.000 0.439 301 S N 5.360 121.006 115.700 -0.091 0.000 2.652 301 S HA 0.536 5.004 4.470 -0.003 0.000 0.270 301 S C -2.202 172.304 174.600 -0.156 0.000 1.243 301 S CA -0.998 57.168 58.200 -0.058 0.000 0.999 301 S CB 1.382 64.554 63.200 -0.046 0.000 0.973 301 S HN 0.476 nan 8.310 nan 0.000 0.544 302 P HA -0.091 nan 4.420 nan 0.000 0.216 302 P C 0.987 178.278 177.300 -0.015 0.000 1.153 302 P CA 1.312 64.425 63.100 0.023 0.000 0.858 302 P CB -0.009 31.693 31.700 0.005 0.000 0.789 303 E N -0.320 119.844 120.200 -0.060 0.000 2.072 303 E HA -0.169 4.179 4.350 -0.003 0.000 0.191 303 E C 1.952 178.519 176.600 -0.054 0.000 0.985 303 E CA 1.171 57.547 56.400 -0.039 0.000 0.801 303 E CB -0.698 28.974 29.700 -0.047 0.000 0.750 303 E HN 0.424 nan 8.360 nan 0.000 0.452 304 E N 0.200 120.342 120.200 -0.096 0.000 2.072 304 E HA -0.097 4.251 4.350 -0.003 0.000 0.190 304 E C 2.048 178.564 176.600 -0.141 0.000 0.982 304 E CA 0.861 57.202 56.400 -0.098 0.000 0.803 304 E CB -0.131 29.511 29.700 -0.096 0.000 0.755 304 E HN 0.264 nan 8.360 nan 0.000 0.453 305 A N 1.498 124.125 122.820 -0.321 0.000 1.930 305 A HA -0.250 4.068 4.320 -0.003 0.000 0.217 305 A C 2.064 179.550 177.584 -0.162 0.000 1.175 305 A CA 1.604 53.350 52.037 -0.484 0.000 0.627 305 A CB -0.439 17.705 19.000 -1.427 0.000 0.815 305 A HN 0.262 nan 8.150 nan 0.000 0.443 306 E N -0.354 119.785 120.200 -0.102 0.000 2.077 306 E HA -0.239 4.110 4.350 -0.003 0.000 0.193 306 E C 2.278 178.867 176.600 -0.017 0.000 0.989 306 E CA 1.226 57.609 56.400 -0.029 0.000 0.800 306 E CB -0.154 29.589 29.700 0.071 0.000 0.746 306 E HN 0.574 nan 8.360 nan 0.000 0.452 307 R N 0.407 120.897 120.500 -0.017 0.000 2.081 307 R HA -0.175 4.163 4.340 -0.003 0.000 0.235 307 R C 2.379 178.671 176.300 -0.014 0.000 1.131 307 R CA 1.796 57.887 56.100 -0.015 0.000 0.960 307 R CB -0.133 30.157 30.300 -0.018 0.000 0.856 307 R HN 0.263 nan 8.270 nan 0.000 0.436 308 E N 0.158 120.362 120.200 0.007 0.000 2.072 308 E HA -0.211 4.138 4.350 -0.003 0.000 0.191 308 E C 1.981 178.551 176.600 -0.050 0.000 0.985 308 E CA 1.007 57.409 56.400 0.004 0.000 0.801 308 E CB -0.045 29.712 29.700 0.094 0.000 0.750 308 E HN 0.176 nan 8.360 nan 0.000 0.452 309 L N 1.565 122.784 121.223 -0.007 0.000 1.971 309 L HA -0.222 4.117 4.340 -0.003 0.000 0.215 309 L C 2.313 179.128 176.870 -0.092 0.000 1.072 309 L CA 1.909 56.699 54.840 -0.083 0.000 0.758 309 L CB -0.504 41.529 42.059 -0.043 0.000 0.889 309 L HN 0.021 nan 8.230 nan 0.000 0.433 310 R N -0.899 119.564 120.500 -0.062 0.000 2.083 310 R HA -0.148 4.191 4.340 -0.003 0.000 0.237 310 R C 2.267 178.534 176.300 -0.055 0.000 1.137 310 R CA 1.692 57.759 56.100 -0.055 0.000 0.951 310 R CB -0.635 29.643 30.300 -0.037 0.000 0.851 310 R HN 0.426 nan 8.270 nan 0.000 0.434 311 S N -0.185 115.484 115.700 -0.050 0.000 2.400 311 S HA -0.134 4.334 4.470 -0.003 0.000 0.232 311 S C 1.847 176.410 174.600 -0.060 0.000 1.025 311 S CA 1.829 60.000 58.200 -0.048 0.000 0.993 311 S CB -0.176 62.999 63.200 -0.042 0.000 0.808 311 S HN 0.434 nan 8.310 nan 0.000 0.478 312 T N 1.078 115.582 114.554 -0.083 0.000 2.894 312 T HA 0.016 4.364 4.350 -0.003 0.000 0.258 312 T C 1.923 176.570 174.700 -0.088 0.000 1.043 312 T CA 1.389 63.431 62.100 -0.097 0.000 1.141 312 T CB -0.072 68.710 68.868 -0.143 0.000 0.873 312 T HN 0.469 nan 8.240 nan 0.000 0.449 313 V N -2.420 117.440 119.914 -0.091 0.000 3.612 313 V HA 0.810 4.929 4.120 -0.003 0.000 0.268 313 V C 0.761 176.815 176.094 -0.066 0.000 1.365 313 V CA 0.212 62.461 62.300 -0.084 0.000 1.044 313 V CB 0.182 31.943 31.823 -0.103 0.000 0.820 313 V HN 0.294 nan 8.190 nan 0.000 0.444 314 A N 1.479 124.263 122.820 -0.060 0.000 3.448 314 A HA 0.622 4.940 4.320 -0.003 0.000 0.232 314 A C -2.856 174.705 177.584 -0.039 0.000 1.018 314 A CA -0.780 51.229 52.037 -0.047 0.000 0.996 314 A CB -0.043 18.930 19.000 -0.046 0.000 1.283 314 A HN 0.388 nan 8.150 nan 0.000 0.586 315 P HA 0.276 nan 4.420 nan 0.000 0.264 315 P C 1.083 178.368 177.300 -0.025 0.000 1.193 315 P CA 2.006 65.088 63.100 -0.030 0.000 0.763 315 P CB 0.879 32.561 31.700 -0.030 0.000 0.810 316 G N 3.232 112.019 108.800 -0.021 0.000 2.184 316 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.264 316 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.264 316 G C 0.488 175.379 174.900 -0.015 0.000 0.975 316 G CA -0.307 44.783 45.100 -0.017 0.000 0.642 316 G HN 0.558 nan 8.290 nan 0.000 0.536 317 R N 0.946 121.436 120.500 -0.018 0.000 4.048 317 R HA 0.238 4.576 4.340 -0.003 0.000 0.290 317 R C 0.469 176.762 176.300 -0.012 0.000 1.519 317 R CA -0.499 55.591 56.100 -0.016 0.000 1.446 317 R CB 0.031 30.318 30.300 -0.020 0.000 1.455 317 R HN 0.274 nan 8.270 nan 0.000 0.706 318 D N 1.362 121.757 120.400 -0.008 0.000 2.378 318 D HA -0.134 4.504 4.640 -0.003 0.000 0.222 318 D C 1.092 177.392 176.300 -0.000 0.000 0.980 318 D CA 0.864 54.862 54.000 -0.004 0.000 0.907 318 D CB 0.376 41.175 40.800 -0.002 0.000 0.899 318 D HN 0.435 nan 8.370 nan 0.000 0.527 319 D N 0.288 120.687 120.400 -0.002 0.000 2.178 319 D HA -0.160 4.479 4.640 -0.003 0.000 0.201 319 D C 1.066 177.368 176.300 0.003 0.000 0.980 319 D CA 0.288 54.289 54.000 0.001 0.000 0.842 319 D CB -0.386 40.414 40.800 -0.000 0.000 0.948 319 D HN 0.229 nan 8.370 nan 0.000 0.472 320 L N 1.312 122.535 121.223 -0.001 0.000 2.361 320 L HA 0.157 4.495 4.340 -0.003 0.000 0.278 320 L C 0.777 177.648 176.870 0.002 0.000 1.113 320 L CA -0.180 54.659 54.840 -0.001 0.000 0.849 320 L CB 0.786 42.839 42.059 -0.010 0.000 1.155 320 L HN 0.019 nan 8.230 nan 0.000 0.452 321 E N 2.577 122.783 120.200 0.010 0.000 2.259 321 E HA 0.434 4.783 4.350 -0.003 0.000 0.281 321 E C -0.623 175.983 176.600 0.010 0.000 1.027 321 E CA -0.619 55.792 56.400 0.018 0.000 0.838 321 E CB 1.477 31.193 29.700 0.028 0.000 1.066 321 E HN 0.678 nan 8.360 nan 0.000 0.401 322 A N 4.508 127.334 122.820 0.010 0.000 2.316 322 A HA 0.279 4.597 4.320 -0.003 0.000 0.284 322 A C -0.214 177.367 177.584 -0.006 0.000 1.115 322 A CA -0.641 51.375 52.037 -0.034 0.000 0.812 322 A CB 0.741 19.703 19.000 -0.064 0.000 1.064 322 A HN 0.672 nan 8.150 nan 0.000 0.489 323 N N 1.135 119.798 118.700 -0.062 0.000 2.354 323 N HA 0.245 4.984 4.740 -0.003 0.000 0.287 323 N C -1.412 174.056 175.510 -0.070 0.000 1.016 323 N CA -0.330 52.725 53.050 0.008 0.000 0.871 323 N CB 0.925 39.442 38.487 0.050 0.000 1.299 323 N HN 0.698 nan 8.380 nan 0.000 0.482 324 H N 3.365 122.468 119.070 0.056 0.000 2.472 324 H HA 0.512 5.067 4.556 -0.002 0.000 0.338 324 H C -0.298 175.067 175.328 0.061 0.000 1.133 324 H CA -0.454 55.630 56.048 0.060 0.000 1.216 324 H CB 2.041 31.832 29.762 0.048 0.000 1.497 324 H HN 0.422 nan 8.280 nan 0.000 0.500 325 I N 2.251 122.920 120.570 0.165 0.000 2.802 325 I HA 0.142 4.310 4.170 -0.003 0.000 0.298 325 I C -0.469 175.678 176.117 0.051 0.000 1.176 325 I CA -0.543 60.825 61.300 0.113 0.000 1.025 325 I CB 2.587 40.666 38.000 0.133 0.000 1.243 325 I HN 0.518 nan 8.210 nan 0.000 0.424 326 Q N 5.098 124.904 119.800 0.011 0.000 2.309 326 Q HA 0.692 5.030 4.340 -0.003 0.000 0.264 326 Q C -1.074 174.818 176.000 -0.180 0.000 1.008 326 Q CA -0.665 55.087 55.803 -0.084 0.000 0.853 326 Q CB 3.101 31.783 28.738 -0.094 0.000 1.314 326 Q HN 0.470 nan 8.270 nan 0.000 0.448 327 M N 1.572 121.009 119.600 -0.273 0.000 2.456 327 M HA 0.478 4.956 4.480 -0.003 0.000 0.324 327 M C -0.496 175.380 176.300 -0.707 0.000 1.124 327 M CA -0.628 54.359 55.300 -0.522 0.000 0.959 327 M CB 2.214 34.784 32.600 -0.050 0.000 1.692 327 M HN 0.351 nan 8.290 nan 0.000 0.444 328 R N 3.259 122.922 120.500 -1.396 0.000 2.204 328 R HA 0.436 4.775 4.340 -0.003 0.000 0.341 328 R C -1.286 174.918 176.300 -0.162 0.000 1.035 328 R CA -0.369 55.261 56.100 -0.783 0.000 0.887 328 R CB 0.484 30.181 30.300 -1.004 0.000 1.114 328 R HN 0.648 nan 8.270 nan 0.000 0.473 329 I N 4.632 125.258 120.570 0.093 0.000 2.315 329 I HA 0.506 4.674 4.170 -0.003 0.000 0.291 329 I C 0.892 177.056 176.117 0.079 0.000 1.006 329 I CA 0.197 61.652 61.300 0.259 0.000 1.265 329 I CB 0.668 38.811 38.000 0.239 0.000 1.387 329 I HN 0.967 nan 8.210 nan 0.000 0.475 330 G N 7.285 115.934 108.800 -0.252 0.000 2.332 330 G HA2 0.200 4.159 3.960 -0.003 0.000 0.265 330 G HA3 0.200 4.159 3.960 -0.003 0.000 0.265 330 G C -1.215 173.108 174.900 -0.962 0.000 1.329 330 G CA -0.915 43.336 45.100 -1.415 0.000 0.949 330 G HN 0.767 nan 8.290 nan 0.000 0.476 331 R N -0.649 119.075 120.500 -1.293 0.000 2.707 331 R HA 0.627 4.966 4.340 -0.003 0.000 0.272 331 R C -0.968 174.845 176.300 -0.813 0.000 1.011 331 R CA -1.075 54.621 56.100 -0.675 0.000 0.893 331 R CB 0.989 31.135 30.300 -0.257 0.000 1.233 331 R HN 0.431 nan 8.270 nan 0.000 0.464 332 N N 1.398 119.938 118.700 -0.267 0.000 2.479 332 N HA -0.027 4.711 4.740 -0.003 0.000 0.257 332 N C 0.559 176.004 175.510 -0.108 0.000 1.232 332 N CA -0.030 52.960 53.050 -0.100 0.000 0.920 332 N CB 0.863 39.402 38.487 0.088 0.000 1.105 332 N HN 0.634 nan 8.380 nan 0.000 0.444 333 E N 1.556 121.714 120.200 -0.070 0.000 2.085 333 E HA -0.120 4.229 4.350 -0.003 0.000 0.194 333 E C 0.041 176.627 176.600 -0.023 0.000 0.994 333 E CA 1.495 57.870 56.400 -0.043 0.000 0.801 333 E CB 0.236 29.924 29.700 -0.021 0.000 0.743 333 E HN 0.458 nan 8.360 nan 0.000 0.453 334 R N -0.579 119.924 120.500 0.005 0.000 2.628 334 R HA 0.206 4.545 4.340 -0.003 0.000 0.288 334 R C 0.780 177.125 176.300 0.074 0.000 0.980 334 R CA 0.099 56.220 56.100 0.035 0.000 0.891 334 R CB 1.538 31.863 30.300 0.043 0.000 1.188 334 R HN 0.017 nan 8.270 nan 0.000 0.450 335 T N -1.912 112.716 114.554 0.124 0.000 3.065 335 T HA 0.079 4.428 4.350 -0.003 0.000 0.252 335 T C 0.217 175.055 174.700 0.229 0.000 1.099 335 T CA 0.056 62.250 62.100 0.157 0.000 1.063 335 T CB 0.369 69.326 68.868 0.148 0.000 0.948 335 T HN 0.457 nan 8.240 nan 0.000 0.506 336 W N 2.132 123.463 121.300 0.052 0.000 2.424 336 W HA 0.655 5.313 4.660 -0.003 0.000 0.318 336 W C -2.018 174.453 176.519 -0.079 0.000 1.016 336 W CA -2.784 54.541 57.345 -0.032 0.000 1.268 336 W CB 0.552 29.973 29.460 -0.064 0.000 1.297 336 W HN 0.071 nan 8.180 nan 0.000 0.428 337 I N 8.142 128.862 120.570 0.250 0.000 2.418 337 I HA 0.188 4.357 4.170 -0.003 0.000 0.287 337 I C 0.374 176.417 176.117 -0.124 0.000 1.008 337 I CA -0.498 60.828 61.300 0.043 0.000 1.104 337 I CB 1.459 39.442 38.000 -0.028 0.000 1.264 337 I HN 0.444 nan 8.210 nan 0.000 0.438 338 N N 4.023 122.516 118.700 -0.345 0.000 1.293 338 N HA -0.297 4.442 4.740 -0.003 0.000 0.140 338 N C 0.412 175.325 175.510 -0.995 0.000 0.753 338 N CA 1.971 54.361 53.050 -1.101 0.000 0.979 338 N CB -0.777 36.922 38.487 -1.314 0.000 1.228 338 N HN 0.901 nan 8.380 nan 0.000 0.509 339 N N 0.775 118.824 118.700 -1.085 0.000 2.376 339 N HA 0.263 5.002 4.740 -0.003 0.000 0.249 339 N C -0.682 174.742 175.510 -0.143 0.000 1.140 339 N CA -0.227 52.523 53.050 -0.500 0.000 0.870 339 N CB -0.349 37.876 38.487 -0.438 0.000 1.124 339 N HN 0.566 nan 8.380 nan 0.000 0.505 340 C N 0.606 119.769 119.300 -0.228 0.000 2.396 340 C HA 0.712 5.170 4.460 -0.003 0.000 0.321 340 C C -0.895 173.878 174.990 -0.361 0.000 1.233 340 C CA -0.373 58.522 59.018 -0.205 0.000 1.440 340 C CB 0.478 28.130 27.740 -0.146 0.000 2.110 340 C HN 0.190 nan 8.230 nan 0.000 0.473 341 V N 5.740 125.393 119.914 -0.434 0.000 2.487 341 V HA 0.732 4.850 4.120 -0.003 0.000 0.298 341 V C 0.557 176.536 176.094 -0.192 0.000 1.028 341 V CA -0.327 61.712 62.300 -0.436 0.000 0.860 341 V CB 1.500 32.847 31.823 -0.793 0.000 0.991 341 V HN 1.131 nan 8.190 nan 0.000 0.427 342 A N 4.675 127.453 122.820 -0.070 0.000 2.328 342 A HA 0.796 5.114 4.320 -0.003 0.000 0.284 342 A C -0.561 177.018 177.584 -0.009 0.000 1.160 342 A CA -0.339 51.683 52.037 -0.025 0.000 0.818 342 A CB 0.862 19.877 19.000 0.024 0.000 1.087 342 A HN 0.745 nan 8.150 nan 0.000 0.504 343 V N 2.312 122.210 119.914 -0.027 0.000 2.686 343 V HA 0.749 4.868 4.120 -0.003 0.000 0.306 343 V C 0.747 176.830 176.094 -0.017 0.000 1.065 343 V CA 0.617 62.903 62.300 -0.022 0.000 0.894 343 V CB 0.894 32.685 31.823 -0.054 0.000 1.004 343 V HN 2.191 nan 8.190 nan 0.000 0.424 344 G N 3.535 112.346 108.800 0.018 0.000 2.499 344 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.232 344 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.232 344 G C 0.112 175.069 174.900 0.095 0.000 1.251 344 G CA -0.008 45.120 45.100 0.046 0.000 0.917 344 G HN 0.673 nan 8.290 nan 0.000 0.580 345 L N 2.136 123.376 121.223 0.028 0.000 2.191 345 L HA 0.032 4.370 4.340 -0.003 0.000 0.212 345 L C 3.300 180.219 176.870 0.083 0.000 1.103 345 L CA 2.906 57.758 54.840 0.020 0.000 0.769 345 L CB -0.931 40.833 42.059 -0.493 0.000 0.908 345 L HN 0.991 nan 8.230 nan 0.000 0.438 346 S N -1.068 114.643 115.700 0.018 0.000 2.400 346 S HA -0.169 4.300 4.470 -0.003 0.000 0.232 346 S C 2.056 176.734 174.600 0.129 0.000 1.025 346 S CA 0.949 59.180 58.200 0.051 0.000 0.993 346 S CB -0.483 62.717 63.200 0.000 0.000 0.808 346 S HN 0.355 nan 8.310 nan 0.000 0.478 347 A N 1.523 124.423 122.820 0.132 0.000 1.911 347 A HA 0.759 5.077 4.320 -0.003 0.000 0.212 347 A C 1.058 178.759 177.584 0.195 0.000 1.189 347 A CA 0.799 52.915 52.037 0.131 0.000 0.639 347 A CB -0.339 18.698 19.000 0.063 0.000 0.839 347 A HN 1.349 nan 8.150 nan 0.000 0.449 348 A N -2.434 120.541 122.820 0.259 0.000 2.567 348 A HA 0.580 4.899 4.320 -0.003 0.000 0.291 348 A C -1.595 176.296 177.584 0.512 0.000 1.048 348 A CA -0.204 52.009 52.037 0.293 0.000 0.661 348 A CB 0.281 19.290 19.000 0.014 0.000 1.288 348 A HN 1.258 nan 8.150 nan 0.000 0.424 349 F N 0.354 120.519 119.950 0.357 0.000 2.639 349 F HA 0.563 5.089 4.527 -0.002 0.000 0.320 349 F C -0.979 175.062 175.800 0.401 0.000 1.128 349 F CA -0.231 58.033 58.000 0.441 0.000 1.037 349 F CB 1.632 40.938 39.000 0.510 0.000 1.288 349 F HN 1.209 nan 8.300 nan 0.000 0.463 350 V N 2.018 121.809 119.914 -0.205 0.000 3.046 350 V HA 0.632 4.751 4.120 -0.003 0.000 0.316 350 V C -0.481 175.257 176.094 -0.594 0.000 1.104 350 V CA -0.886 61.340 62.300 -0.123 0.000 1.006 350 V CB 1.677 33.632 31.823 0.220 0.000 1.058 350 V HN 0.916 nan 8.190 nan 0.000 0.440 351 E N 2.725 122.885 120.200 -0.066 0.000 2.437 351 E HA 0.152 4.500 4.350 -0.003 0.000 0.263 351 E C -2.044 174.642 176.600 0.144 0.000 1.030 351 E CA -1.149 55.345 56.400 0.156 0.000 0.934 351 E CB 0.341 30.338 29.700 0.494 0.000 0.943 351 E HN 0.631 nan 8.360 nan 0.000 0.444 352 P HA -0.002 nan 4.420 nan 0.000 0.254 352 P C 0.688 178.203 177.300 0.358 0.000 1.631 352 P CA -0.098 63.141 63.100 0.232 0.000 0.861 352 P CB -0.034 31.748 31.700 0.137 0.000 1.663 353 L N 0.436 121.785 121.223 0.211 0.000 2.131 353 L HA -0.048 4.290 4.340 -0.003 0.000 0.210 353 L C 1.325 178.090 176.870 -0.175 0.000 1.092 353 L CA 2.008 56.641 54.840 -0.345 0.000 0.759 353 L CB -0.467 41.268 42.059 -0.541 0.000 0.903 353 L HN -0.083 nan 8.230 nan 0.000 0.435 354 E N -0.718 119.478 120.200 -0.006 0.000 2.789 354 E HA 0.227 4.576 4.350 -0.003 0.000 0.208 354 E C 0.032 176.853 176.600 0.368 0.000 0.988 354 E CA 0.370 56.891 56.400 0.202 0.000 1.092 354 E CB 0.253 30.085 29.700 0.219 0.000 1.066 354 E HN 0.314 nan 8.360 nan 0.000 0.465 355 S N 0.262 116.097 115.700 0.225 0.000 3.628 355 S HA -0.172 4.297 4.470 -0.003 0.000 0.373 355 S C 1.135 175.817 174.600 0.137 0.000 0.968 355 S CA 1.150 59.471 58.200 0.201 0.000 1.215 355 S CB -2.081 61.292 63.200 0.288 0.000 0.912 355 S HN 0.510 nan 8.310 nan 0.000 0.495 356 T N -2.831 111.692 114.554 -0.052 0.000 3.060 356 T HA 0.336 4.685 4.350 -0.003 0.000 0.249 356 T C 1.972 176.299 174.700 -0.622 0.000 1.079 356 T CA 0.637 62.511 62.100 -0.377 0.000 1.013 356 T CB 0.106 68.689 68.868 -0.474 0.000 0.975 356 T HN 0.596 nan 8.240 nan 0.000 0.518 357 G N 2.750 111.338 108.800 -0.355 0.000 2.459 357 G HA2 -0.123 3.835 3.960 -0.003 0.000 0.217 357 G HA3 -0.123 3.835 3.960 -0.003 0.000 0.217 357 G C 1.408 176.236 174.900 -0.120 0.000 1.183 357 G CA 0.844 45.832 45.100 -0.186 0.000 0.776 357 G HN 0.444 nan 8.290 nan 0.000 0.552 358 I N 0.385 120.886 120.570 -0.115 0.000 2.315 358 I HA -0.068 4.100 4.170 -0.003 0.000 0.248 358 I C 2.469 178.492 176.117 -0.155 0.000 1.117 358 I CA 0.760 62.000 61.300 -0.100 0.000 1.404 358 I CB -1.130 36.861 38.000 -0.014 0.000 1.071 358 I HN 0.219 nan 8.210 nan 0.000 0.419 359 F N 2.079 121.771 119.950 -0.430 0.000 2.095 359 F HA -0.267 4.259 4.527 -0.003 0.000 0.298 359 F C 2.291 178.063 175.800 -0.046 0.000 1.104 359 F CA 1.570 59.301 58.000 -0.448 0.000 1.232 359 F CB -0.637 37.658 39.000 -1.175 0.000 0.987 359 F HN -0.100 nan 8.300 nan 0.000 0.475 360 F N 0.753 120.427 119.950 -0.459 0.000 2.171 360 F HA -0.158 4.368 4.527 -0.003 0.000 0.300 360 F C 2.419 178.048 175.800 -0.286 0.000 1.090 360 F CA 0.989 58.741 58.000 -0.414 0.000 1.293 360 F CB -1.369 37.553 39.000 -0.130 0.000 1.013 360 F HN 0.062 nan 8.300 nan 0.000 0.486 361 I N -0.529 120.019 120.570 -0.037 0.000 2.202 361 I HA -0.293 3.875 4.170 -0.003 0.000 0.242 361 I C 2.590 178.590 176.117 -0.195 0.000 1.091 361 I CA 1.225 62.462 61.300 -0.105 0.000 1.368 361 I CB -0.529 37.393 38.000 -0.130 0.000 1.058 361 I HN 0.144 nan 8.210 nan 0.000 0.410 362 Q N 0.388 120.040 119.800 -0.246 0.000 2.030 362 Q HA -0.320 4.019 4.340 -0.003 0.000 0.204 362 Q C 2.330 178.232 176.000 -0.164 0.000 0.986 362 Q CA 2.088 57.732 55.803 -0.264 0.000 0.843 362 Q CB -0.157 28.466 28.738 -0.191 0.000 0.904 362 Q HN 0.495 nan 8.270 nan 0.000 0.420 363 H N -0.161 118.756 119.070 -0.254 0.000 2.353 363 H HA -0.040 4.514 4.556 -0.003 0.000 0.300 363 H C 1.751 176.996 175.328 -0.139 0.000 1.090 363 H CA 1.956 57.894 56.048 -0.183 0.000 1.327 363 H CB -0.325 29.270 29.762 -0.280 0.000 1.383 363 H HN 0.408 nan 8.280 nan 0.000 0.508 364 A N 0.300 123.023 122.820 -0.161 0.000 1.908 364 A HA -0.133 4.186 4.320 -0.003 0.000 0.218 364 A C 2.579 180.150 177.584 -0.022 0.000 1.181 364 A CA 1.777 53.753 52.037 -0.103 0.000 0.627 364 A CB -0.782 18.193 19.000 -0.041 0.000 0.818 364 A HN 0.493 nan 8.150 nan 0.000 0.445 365 I N -0.761 119.729 120.570 -0.134 0.000 2.233 365 I HA -0.203 3.966 4.170 -0.003 0.000 0.243 365 I C 2.493 178.462 176.117 -0.247 0.000 1.093 365 I CA 1.363 62.553 61.300 -0.184 0.000 1.380 365 I CB -0.403 37.420 38.000 -0.295 0.000 1.067 365 I HN 0.390 nan 8.210 nan 0.000 0.413 366 E N 0.395 120.377 120.200 -0.363 0.000 2.077 366 E HA -0.235 4.113 4.350 -0.003 0.000 0.193 366 E C 2.147 178.733 176.600 -0.023 0.000 0.989 366 E CA 0.920 57.150 56.400 -0.283 0.000 0.800 366 E CB -0.038 29.538 29.700 -0.206 0.000 0.746 366 E HN 0.439 nan 8.360 nan 0.000 0.452 367 Q N 0.241 120.030 119.800 -0.019 0.000 2.297 367 Q HA -0.086 4.253 4.340 -0.003 0.000 0.204 367 Q C 2.218 178.544 176.000 0.543 0.000 0.962 367 Q CA 0.516 56.446 55.803 0.210 0.000 0.879 367 Q CB -0.128 28.557 28.738 -0.088 0.000 0.947 367 Q HN 0.237 nan 8.270 nan 0.000 0.462 368 L N -0.082 121.374 121.223 0.389 0.000 2.056 368 L HA -0.089 4.249 4.340 -0.003 0.000 0.207 368 L C 2.088 179.188 176.870 0.384 0.000 1.078 368 L CA 1.291 56.290 54.840 0.264 0.000 0.749 368 L CB -0.693 41.400 42.059 0.057 0.000 0.901 368 L HN -0.090 nan 8.230 nan 0.000 0.433 369 V N 0.161 120.251 119.914 0.293 0.000 2.287 369 V HA -0.338 3.781 4.120 -0.003 0.000 0.248 369 V C 2.631 178.928 176.094 0.337 0.000 1.053 369 V CA 2.235 64.706 62.300 0.284 0.000 1.027 369 V CB -0.755 31.119 31.823 0.084 0.000 0.646 369 V HN 0.475 nan 8.190 nan 0.000 0.447 370 K N -0.704 119.857 120.400 0.269 0.000 2.103 370 K HA -0.171 4.147 4.320 -0.003 0.000 0.207 370 K C 1.562 178.206 176.600 0.074 0.000 1.048 370 K CA 1.697 58.079 56.287 0.157 0.000 0.930 370 K CB -0.205 32.357 32.500 0.103 0.000 0.716 370 K HN 0.602 nan 8.250 nan 0.000 0.444 371 H N -1.392 117.852 119.070 0.290 0.000 2.487 371 H HA 0.140 4.694 4.556 -0.002 0.000 0.290 371 H C -0.656 174.855 175.328 0.307 0.000 1.081 371 H CA -0.604 55.602 56.048 0.263 0.000 1.116 371 H CB -0.208 29.743 29.762 0.316 0.000 1.560 371 H HN -0.017 nan 8.280 nan 0.000 0.548 372 F N 4.088 124.191 119.950 0.255 0.000 2.607 372 F HA 0.094 4.620 4.527 -0.003 0.000 0.374 372 F C -1.733 174.107 175.800 0.067 0.000 1.104 372 F CA -2.224 55.894 58.000 0.197 0.000 1.296 372 F CB 0.617 39.750 39.000 0.221 0.000 1.085 372 F HN 0.101 nan 8.300 nan 0.000 0.584 373 P HA 0.255 nan 4.420 nan 0.000 0.278 373 P C -0.264 176.769 177.300 -0.446 0.000 1.238 373 P CA -0.363 62.431 63.100 -0.509 0.000 0.794 373 P CB 1.063 32.106 31.700 -1.094 0.000 0.955 374 G N 1.403 109.999 108.800 -0.341 0.000 2.557 374 G HA2 0.163 4.122 3.960 -0.003 0.000 0.292 374 G HA3 0.163 4.122 3.960 -0.003 0.000 0.292 374 G C 0.854 175.536 174.900 -0.363 0.000 1.237 374 G CA -0.403 44.549 45.100 -0.247 0.000 0.978 374 G HN 0.601 nan 8.290 nan 0.000 0.498 375 E N -0.863 119.231 120.200 -0.177 0.000 2.204 375 E HA -0.105 4.244 4.350 -0.003 0.000 0.195 375 E C 0.758 177.360 176.600 0.003 0.000 0.990 375 E CA 0.676 57.029 56.400 -0.079 0.000 0.821 375 E CB 0.001 29.703 29.700 0.003 0.000 0.750 375 E HN 0.297 nan 8.360 nan 0.000 0.477 376 R N 0.973 121.460 120.500 -0.021 0.000 2.204 376 R HA 0.175 4.513 4.340 -0.003 0.000 0.341 376 R C -1.182 175.156 176.300 0.063 0.000 1.035 376 R CA -0.616 55.531 56.100 0.078 0.000 0.887 376 R CB 0.386 30.716 30.300 0.050 0.000 1.114 376 R HN 0.111 nan 8.270 nan 0.000 0.473 377 W N 1.989 123.335 121.300 0.076 0.000 2.170 377 W HA 0.066 4.725 4.660 -0.002 0.000 0.336 377 W C 0.576 177.125 176.519 0.051 0.000 1.283 377 W CA 0.173 57.584 57.345 0.109 0.000 1.224 377 W CB 0.467 30.102 29.460 0.292 0.000 1.132 377 W HN 0.340 nan 8.180 nan 0.000 0.571 378 D N 3.380 123.882 120.400 0.170 0.000 2.440 378 D HA 0.266 4.905 4.640 -0.003 0.000 0.252 378 D C -1.796 174.503 176.300 -0.001 0.000 1.180 378 D CA -2.364 51.671 54.000 0.059 0.000 0.894 378 D CB 1.828 42.629 40.800 0.000 0.000 1.111 378 D HN -0.063 nan 8.370 nan 0.000 0.544 379 P HA -0.128 nan 4.420 nan 0.000 0.218 379 P C 1.550 178.818 177.300 -0.054 0.000 1.148 379 P CA 0.519 63.604 63.100 -0.026 0.000 0.822 379 P CB 0.540 32.251 31.700 0.018 0.000 0.784 380 V N -0.709 119.191 119.914 -0.023 0.000 2.379 380 V HA -0.185 3.933 4.120 -0.003 0.000 0.245 380 V C 2.359 178.448 176.094 -0.009 0.000 1.044 380 V CA 1.328 63.621 62.300 -0.011 0.000 1.036 380 V CB -1.151 30.677 31.823 0.007 0.000 0.664 380 V HN 0.052 nan 8.190 nan 0.000 0.453 381 L N -0.046 121.167 121.223 -0.017 0.000 2.046 381 L HA -0.102 4.236 4.340 -0.003 0.000 0.208 381 L C 2.161 179.010 176.870 -0.035 0.000 1.077 381 L CA 1.853 56.712 54.840 0.032 0.000 0.747 381 L CB -0.488 41.571 42.059 -0.001 0.000 0.896 381 L HN 0.209 nan 8.230 nan 0.000 0.432 382 I N -1.498 118.906 120.570 -0.277 0.000 2.226 382 I HA -0.323 3.846 4.170 -0.003 0.000 0.245 382 I C 2.680 178.657 176.117 -0.234 0.000 1.100 382 I CA 1.500 62.476 61.300 -0.539 0.000 1.374 382 I CB -0.539 36.983 38.000 -0.796 0.000 1.057 382 I HN 0.318 nan 8.210 nan 0.000 0.413 383 S N 0.544 116.163 115.700 -0.135 0.000 2.359 383 S HA -0.243 4.225 4.470 -0.003 0.000 0.224 383 S C 2.230 176.798 174.600 -0.053 0.000 1.035 383 S CA 1.621 59.776 58.200 -0.074 0.000 1.018 383 S CB -0.275 62.896 63.200 -0.048 0.000 0.876 383 S HN 0.483 nan 8.310 nan 0.000 0.448 384 A N 0.004 122.818 122.820 -0.010 0.000 1.902 384 A HA -0.077 4.242 4.320 -0.003 0.000 0.217 384 A C 2.020 179.553 177.584 -0.084 0.000 1.181 384 A CA 1.765 53.819 52.037 0.028 0.000 0.623 384 A CB -1.272 17.830 19.000 0.171 0.000 0.818 384 A HN 0.765 nan 8.150 nan 0.000 0.443 385 Y N 1.336 121.411 120.300 -0.376 0.000 2.097 385 Y HA -0.271 4.277 4.550 -0.003 0.000 0.282 385 Y C 2.347 178.118 175.900 -0.215 0.000 1.152 385 Y CA 2.298 60.077 58.100 -0.535 0.000 1.136 385 Y CB -0.241 37.964 38.460 -0.424 0.000 0.975 385 Y HN 0.325 nan 8.280 nan 0.000 0.498 386 N N 0.485 119.175 118.700 -0.016 0.000 2.120 386 N HA -0.212 4.527 4.740 -0.003 0.000 0.188 386 N C 1.879 177.282 175.510 -0.180 0.000 1.024 386 N CA 1.634 54.657 53.050 -0.046 0.000 0.852 386 N CB -0.443 38.050 38.487 0.009 0.000 1.003 386 N HN 0.596 nan 8.380 nan 0.000 0.424 387 E N 0.939 121.016 120.200 -0.204 0.000 2.051 387 E HA -0.120 4.228 4.350 -0.003 0.000 0.192 387 E C 1.988 178.362 176.600 -0.376 0.000 0.991 387 E CA 1.008 57.205 56.400 -0.339 0.000 0.799 387 E CB 0.131 29.657 29.700 -0.290 0.000 0.748 387 E HN 0.243 nan 8.360 nan 0.000 0.449 388 R N -0.494 119.880 120.500 -0.209 0.000 2.083 388 R HA -0.117 4.221 4.340 -0.003 0.000 0.237 388 R C 2.422 178.688 176.300 -0.057 0.000 1.137 388 R CA 1.811 57.883 56.100 -0.046 0.000 0.951 388 R CB -0.165 30.098 30.300 -0.063 0.000 0.851 388 R HN 0.289 nan 8.270 nan 0.000 0.434 389 M N -0.200 119.241 119.600 -0.265 0.000 2.229 389 M HA -0.032 4.446 4.480 -0.003 0.000 0.264 389 M C 2.341 178.561 176.300 -0.134 0.000 1.063 389 M CA 1.384 56.544 55.300 -0.233 0.000 1.114 389 M CB -0.843 31.545 32.600 -0.354 0.000 1.387 389 M HN 0.208 nan 8.290 nan 0.000 0.420 390 A N -0.738 121.999 122.820 -0.138 0.000 1.897 390 A HA -0.151 4.167 4.320 -0.003 0.000 0.215 390 A C 1.915 179.524 177.584 0.041 0.000 1.181 390 A CA 1.365 53.351 52.037 -0.085 0.000 0.620 390 A CB -1.136 17.781 19.000 -0.138 0.000 0.821 390 A HN 0.556 nan 8.150 nan 0.000 0.443 391 H N -1.297 117.813 119.070 0.067 0.000 2.352 391 H HA -0.163 4.392 4.556 -0.002 0.000 0.299 391 H C 2.178 177.648 175.328 0.237 0.000 1.097 391 H CA 1.587 57.769 56.048 0.223 0.000 1.311 391 H CB -0.147 29.750 29.762 0.224 0.000 1.377 391 H HN 0.547 nan 8.280 nan 0.000 0.504 392 M N 0.549 120.334 119.600 0.309 0.000 2.065 392 M HA -0.190 4.289 4.480 -0.003 0.000 0.259 392 M C 1.923 178.327 176.300 0.174 0.000 1.069 392 M CA 1.706 57.166 55.300 0.267 0.000 1.110 392 M CB -0.015 32.677 32.600 0.153 0.000 1.328 392 M HN 0.131 nan 8.290 nan 0.000 0.405 393 V N 0.510 120.406 119.914 -0.030 0.000 2.488 393 V HA -0.211 3.908 4.120 -0.003 0.000 0.246 393 V C 1.786 177.940 176.094 0.100 0.000 1.046 393 V CA 1.840 64.122 62.300 -0.031 0.000 1.053 393 V CB -0.906 30.845 31.823 -0.120 0.000 0.679 393 V HN 0.442 nan 8.190 nan 0.000 0.458 394 D N 0.930 121.339 120.400 0.014 0.000 2.144 394 D HA -0.099 4.539 4.640 -0.003 0.000 0.199 394 D C 2.218 178.243 176.300 -0.460 0.000 0.984 394 D CA 1.575 55.486 54.000 -0.148 0.000 0.834 394 D CB -0.566 40.234 40.800 0.000 0.000 0.955 394 D HN 0.436 nan 8.370 nan 0.000 0.465 395 G N 0.558 108.892 108.800 -0.778 0.000 2.421 395 G HA2 -0.220 3.739 3.960 -0.003 0.000 0.216 395 G HA3 -0.220 3.739 3.960 -0.003 0.000 0.216 395 G C 1.847 176.595 174.900 -0.253 0.000 1.171 395 G CA 0.793 45.194 45.100 -1.166 0.000 0.775 395 G HN 0.245 nan 8.290 nan 0.000 0.543 396 V N 1.015 121.024 119.914 0.158 0.000 2.407 396 V HA -0.162 3.957 4.120 -0.003 0.000 0.248 396 V C 2.689 178.887 176.094 0.174 0.000 1.055 396 V CA 2.216 64.747 62.300 0.384 0.000 1.049 396 V CB -0.364 31.869 31.823 0.682 0.000 0.662 396 V HN 0.470 nan 8.190 nan 0.000 0.455 397 K N 0.243 120.674 120.400 0.052 0.000 2.032 397 K HA -0.255 4.063 4.320 -0.003 0.000 0.209 397 K C 2.111 178.648 176.600 -0.104 0.000 1.048 397 K CA 2.105 58.333 56.287 -0.098 0.000 0.927 397 K CB -0.189 32.007 32.500 -0.506 0.000 0.712 397 K HN 0.564 nan 8.250 nan 0.000 0.441 398 E N -0.260 119.882 120.200 -0.097 0.000 2.058 398 E HA -0.208 4.141 4.350 -0.003 0.000 0.194 398 E C 1.949 178.538 176.600 -0.019 0.000 0.997 398 E CA 1.274 57.680 56.400 0.010 0.000 0.801 398 E CB -0.265 29.524 29.700 0.148 0.000 0.746 398 E HN 0.305 nan 8.360 nan 0.000 0.450 399 F N 1.739 121.468 119.950 -0.368 0.000 2.126 399 F HA -0.186 4.339 4.527 -0.002 0.000 0.299 399 F C 1.958 177.507 175.800 -0.418 0.000 1.096 399 F CA 1.288 58.807 58.000 -0.802 0.000 1.255 399 F CB -0.358 38.120 39.000 -0.870 0.000 0.997 399 F HN -0.075 nan 8.300 nan 0.000 0.479 400 L N -0.916 120.095 121.223 -0.353 0.000 2.056 400 L HA -0.208 4.131 4.340 -0.003 0.000 0.207 400 L C 2.389 179.160 176.870 -0.165 0.000 1.078 400 L CA 1.064 55.618 54.840 -0.475 0.000 0.749 400 L CB -0.943 40.979 42.059 -0.228 0.000 0.901 400 L HN -0.022 nan 8.230 nan 0.000 0.433 401 V N 0.061 119.961 119.914 -0.024 0.000 2.407 401 V HA -0.276 3.842 4.120 -0.003 0.000 0.248 401 V C 2.397 178.526 176.094 0.058 0.000 1.055 401 V CA 1.437 63.793 62.300 0.093 0.000 1.049 401 V CB -0.432 31.420 31.823 0.049 0.000 0.662 401 V HN 0.338 nan 8.190 nan 0.000 0.455 402 L N -0.181 121.013 121.223 -0.049 0.000 2.187 402 L HA -0.175 4.163 4.340 -0.003 0.000 0.213 402 L C 2.264 179.019 176.870 -0.191 0.000 1.100 402 L CA 1.986 56.765 54.840 -0.102 0.000 0.765 402 L CB -0.822 41.134 42.059 -0.171 0.000 0.904 402 L HN 0.396 nan 8.230 nan 0.000 0.437 403 H N -2.009 116.770 119.070 -0.486 0.000 2.321 403 H HA -0.128 4.427 4.556 -0.002 0.000 0.300 403 H C 1.833 176.961 175.328 -0.332 0.000 1.087 403 H CA 2.378 58.042 56.048 -0.640 0.000 1.319 403 H CB -0.579 28.598 29.762 -0.974 0.000 1.379 403 H HN 0.367 nan 8.280 nan 0.000 0.501 404 Y N 0.810 121.225 120.300 0.191 0.000 2.293 404 Y HA -0.098 4.451 4.550 -0.002 0.000 0.291 404 Y C 2.181 178.214 175.900 0.221 0.000 1.137 404 Y CA 0.808 59.100 58.100 0.319 0.000 1.202 404 Y CB 0.088 38.671 38.460 0.205 0.000 0.990 404 Y HN 0.023 nan 8.280 nan 0.000 0.537 405 K N -0.596 119.930 120.400 0.211 0.000 2.155 405 K HA 0.020 4.339 4.320 -0.003 0.000 0.203 405 K C 2.269 178.910 176.600 0.070 0.000 1.052 405 K CA 1.065 57.428 56.287 0.126 0.000 0.948 405 K CB -0.761 31.782 32.500 0.073 0.000 0.728 405 K HN 0.404 nan 8.250 nan 0.000 0.448 406 G N 1.185 109.985 108.800 -0.001 0.000 2.494 406 G HA2 0.005 3.963 3.960 -0.003 0.000 0.216 406 G HA3 0.005 3.963 3.960 -0.003 0.000 0.216 406 G C 0.549 175.438 174.900 -0.018 0.000 1.140 406 G CA 0.408 45.467 45.100 -0.068 0.000 0.801 406 G HN 0.329 nan 8.290 nan 0.000 0.536 407 A N 0.409 123.278 122.820 0.081 0.000 2.546 407 A HA 0.338 4.656 4.320 -0.003 0.000 0.243 407 A C 1.314 178.943 177.584 0.074 0.000 1.063 407 A CA 0.154 52.274 52.037 0.138 0.000 0.757 407 A CB 0.381 19.574 19.000 0.321 0.000 0.991 407 A HN 0.295 nan 8.150 nan 0.000 0.503 408 Q N 1.154 120.960 119.800 0.011 0.000 2.396 408 Q HA -0.009 4.329 4.340 -0.003 0.000 0.209 408 Q C 0.715 176.703 176.000 -0.020 0.000 0.906 408 Q CA 0.377 56.183 55.803 0.004 0.000 0.927 408 Q CB -0.035 28.700 28.738 -0.005 0.000 1.069 408 Q HN 0.924 nan 8.270 nan 0.000 0.523 409 R N 1.103 121.534 120.500 -0.116 0.000 2.623 409 R HA 0.110 4.448 4.340 -0.003 0.000 0.271 409 R C -0.132 176.158 176.300 -0.017 0.000 1.043 409 R CA 0.503 56.503 56.100 -0.165 0.000 1.083 409 R CB 0.353 30.397 30.300 -0.425 0.000 0.974 409 R HN -0.074 nan 8.270 nan 0.000 0.436 410 E N 0.977 121.207 120.200 0.050 0.000 3.067 410 E HA -0.019 4.329 4.350 -0.003 0.000 0.188 410 E C -0.498 176.192 176.600 0.150 0.000 0.964 410 E CA -0.092 56.398 56.400 0.151 0.000 1.286 410 E CB 0.624 30.387 29.700 0.107 0.000 1.051 410 E HN 0.799 nan 8.360 nan 0.000 0.465 411 D N 0.327 120.810 120.400 0.138 0.000 2.323 411 D HA -0.074 4.565 4.640 -0.003 0.000 0.209 411 D C 0.983 177.384 176.300 0.168 0.000 0.973 411 D CA 0.608 54.679 54.000 0.119 0.000 0.874 411 D CB 0.153 40.992 40.800 0.065 0.000 0.930 411 D HN 0.122 nan 8.370 nan 0.000 0.521 412 T N -4.290 110.422 114.554 0.263 0.000 2.907 412 T HA 0.452 4.801 4.350 -0.003 0.000 0.290 412 T C -2.334 172.488 174.700 0.203 0.000 1.066 412 T CA -1.761 60.481 62.100 0.237 0.000 1.012 412 T CB 2.340 71.376 68.868 0.280 0.000 1.184 412 T HN -0.417 nan 8.240 nan 0.000 0.522 413 P HA -0.064 nan 4.420 nan 0.000 0.215 413 P C 1.079 178.361 177.300 -0.030 0.000 1.153 413 P CA 0.877 64.099 63.100 0.204 0.000 0.853 413 P CB -0.196 31.730 31.700 0.376 0.000 0.788 414 Y N -1.142 118.858 120.300 -0.501 0.000 2.097 414 Y HA -0.232 4.317 4.550 -0.003 0.000 0.282 414 Y C 2.042 177.502 175.900 -0.733 0.000 1.152 414 Y CA 1.725 59.091 58.100 -1.223 0.000 1.136 414 Y CB -0.981 36.839 38.460 -1.066 0.000 0.975 414 Y HN -0.071 nan 8.280 nan 0.000 0.498 415 W N 0.539 121.830 121.300 -0.016 0.000 2.436 415 W HA -0.060 4.599 4.660 -0.002 0.000 0.284 415 W C 2.341 178.836 176.519 -0.041 0.000 1.225 415 W CA 1.100 58.453 57.345 0.012 0.000 1.271 415 W CB -0.116 29.409 29.460 0.108 0.000 1.114 415 W HN -0.082 nan 8.180 nan 0.000 0.559 416 K N 0.089 120.572 120.400 0.138 0.000 2.097 416 K HA -0.091 4.228 4.320 -0.003 0.000 0.205 416 K C 2.246 178.857 176.600 0.018 0.000 1.050 416 K CA 1.390 57.732 56.287 0.093 0.000 0.938 416 K CB -0.465 32.095 32.500 0.099 0.000 0.718 416 K HN 0.094 nan 8.250 nan 0.000 0.442 417 A N 1.327 124.097 122.820 -0.085 0.000 2.014 417 A HA -0.013 4.306 4.320 -0.003 0.000 0.218 417 A C 2.309 179.789 177.584 -0.173 0.000 1.163 417 A CA 1.457 53.435 52.037 -0.099 0.000 0.652 417 A CB -0.490 18.478 19.000 -0.053 0.000 0.808 417 A HN 0.305 nan 8.150 nan 0.000 0.449 418 A N 0.241 122.892 122.820 -0.281 0.000 1.908 418 A HA -0.169 4.150 4.320 -0.003 0.000 0.218 418 A C 2.089 179.678 177.584 0.009 0.000 1.181 418 A CA 1.744 53.670 52.037 -0.183 0.000 0.627 418 A CB -0.365 18.581 19.000 -0.090 0.000 0.818 418 A HN 0.372 nan 8.150 nan 0.000 0.445 419 K N -0.447 119.989 120.400 0.059 0.000 2.063 419 K HA -0.129 4.190 4.320 -0.003 0.000 0.208 419 K C 1.928 178.556 176.600 0.046 0.000 1.048 419 K CA 1.950 58.283 56.287 0.077 0.000 0.928 419 K CB -0.744 31.806 32.500 0.084 0.000 0.713 419 K HN 0.739 nan 8.250 nan 0.000 0.442 420 T N -2.161 112.409 114.554 0.026 0.000 3.069 420 T HA 0.115 4.464 4.350 -0.003 0.000 0.252 420 T C 0.866 175.575 174.700 0.014 0.000 1.053 420 T CA -0.417 61.698 62.100 0.024 0.000 0.964 420 T CB 0.311 69.196 68.868 0.028 0.000 1.005 420 T HN 0.025 nan 8.240 nan 0.000 0.532 421 R N 1.538 122.037 120.500 -0.002 0.000 2.698 421 R HA 0.489 4.827 4.340 -0.003 0.000 0.266 421 R C 0.542 176.847 176.300 0.007 0.000 1.026 421 R CA 0.083 56.178 56.100 -0.008 0.000 1.102 421 R CB 0.044 30.317 30.300 -0.046 0.000 0.978 421 R HN 0.396 nan 8.270 nan 0.000 0.436 422 A N 4.743 127.569 122.820 0.010 0.000 2.547 422 A HA 0.183 4.502 4.320 -0.003 0.000 0.233 422 A C 0.258 177.851 177.584 0.016 0.000 1.067 422 A CA 0.636 52.682 52.037 0.016 0.000 0.763 422 A CB 0.061 19.072 19.000 0.019 0.000 1.007 422 A HN 0.809 nan 8.150 nan 0.000 0.506 423 M N 0.114 119.726 119.600 0.019 0.000 2.575 423 M HA 0.675 5.153 4.480 -0.003 0.000 0.284 423 M C -2.974 173.334 176.300 0.014 0.000 1.253 423 M CA -2.020 53.291 55.300 0.018 0.000 0.861 423 M CB 1.086 33.704 32.600 0.031 0.000 1.733 423 M HN 0.272 nan 8.290 nan 0.000 0.462 424 P HA 0.114 nan 4.420 nan 0.000 0.269 424 P C -0.202 177.116 177.300 0.030 0.000 1.217 424 P CA -0.077 63.024 63.100 0.002 0.000 0.783 424 P CB 0.461 32.153 31.700 -0.014 0.000 0.898 425 D N 1.331 121.752 120.400 0.036 0.000 2.104 425 D HA -0.114 4.524 4.640 -0.003 0.000 0.194 425 D C 2.024 178.354 176.300 0.051 0.000 0.994 425 D CA 1.925 55.950 54.000 0.042 0.000 0.830 425 D CB -0.612 40.214 40.800 0.044 0.000 0.959 425 D HN 0.574 nan 8.370 nan 0.000 0.452 426 G N 0.154 108.998 108.800 0.073 0.000 2.598 426 G HA2 -0.138 3.821 3.960 -0.003 0.000 0.215 426 G HA3 -0.138 3.821 3.960 -0.003 0.000 0.215 426 G C 1.466 176.412 174.900 0.077 0.000 1.131 426 G CA -0.005 45.140 45.100 0.076 0.000 0.785 426 G HN 0.184 nan 8.290 nan 0.000 0.539 427 L N 0.751 122.025 121.223 0.084 0.000 2.418 427 L HA 0.413 4.752 4.340 -0.003 0.000 0.218 427 L C 2.841 179.749 176.870 0.063 0.000 1.125 427 L CA 1.137 56.036 54.840 0.098 0.000 0.835 427 L CB -0.333 41.786 42.059 0.099 0.000 0.953 427 L HN 0.182 nan 8.230 nan 0.000 0.454 428 A N -0.154 122.692 122.820 0.043 0.000 1.877 428 A HA -0.260 4.058 4.320 -0.003 0.000 0.216 428 A C 2.424 180.017 177.584 0.016 0.000 1.186 428 A CA 1.786 53.839 52.037 0.027 0.000 0.620 428 A CB -0.526 18.487 19.000 0.023 0.000 0.822 428 A HN 0.407 nan 8.150 nan 0.000 0.443 429 R N 0.373 120.880 120.500 0.012 0.000 2.081 429 R HA -0.103 4.236 4.340 -0.003 0.000 0.235 429 R C 1.961 178.251 176.300 -0.017 0.000 1.131 429 R CA 2.193 58.290 56.100 -0.005 0.000 0.960 429 R CB -0.426 29.867 30.300 -0.011 0.000 0.856 429 R HN 0.590 nan 8.270 nan 0.000 0.436 430 K N -0.130 120.270 120.400 -0.001 0.000 2.097 430 K HA -0.077 4.241 4.320 -0.003 0.000 0.205 430 K C 2.098 178.694 176.600 -0.007 0.000 1.050 430 K CA 1.536 57.821 56.287 -0.003 0.000 0.938 430 K CB -0.187 32.350 32.500 0.061 0.000 0.718 430 K HN 0.198 nan 8.250 nan 0.000 0.442 431 L N 1.048 122.278 121.223 0.011 0.000 2.093 431 L HA -0.143 4.196 4.340 -0.003 0.000 0.208 431 L C 2.647 179.501 176.870 -0.027 0.000 1.085 431 L CA 1.072 55.910 54.840 -0.004 0.000 0.755 431 L CB -0.329 41.736 42.059 0.011 0.000 0.904 431 L HN 0.276 nan 8.230 nan 0.000 0.435 432 E N 0.742 120.928 120.200 -0.023 0.000 2.038 432 E HA -0.255 4.093 4.350 -0.003 0.000 0.195 432 E C 2.357 178.919 176.600 -0.063 0.000 1.000 432 E CA 1.446 57.829 56.400 -0.028 0.000 0.803 432 E CB -0.087 29.605 29.700 -0.014 0.000 0.750 432 E HN 0.428 nan 8.360 nan 0.000 0.448 433 L N 0.457 121.618 121.223 -0.103 0.000 2.042 433 L HA -0.171 4.167 4.340 -0.003 0.000 0.210 433 L C 2.615 179.284 176.870 -0.335 0.000 1.076 433 L CA 1.148 55.845 54.840 -0.238 0.000 0.749 433 L CB -0.213 41.691 42.059 -0.258 0.000 0.893 433 L HN 0.100 nan 8.230 nan 0.000 0.432 434 S N -0.482 115.100 115.700 -0.198 0.000 2.481 434 S HA -0.027 4.442 4.470 -0.003 0.000 0.231 434 S C 2.039 176.573 174.600 -0.111 0.000 0.996 434 S CA 0.815 58.919 58.200 -0.159 0.000 0.942 434 S CB -0.035 63.111 63.200 -0.090 0.000 0.768 434 S HN 0.477 nan 8.310 nan 0.000 0.520 435 A N 0.790 123.560 122.820 -0.084 0.000 1.968 435 A HA 0.013 4.331 4.320 -0.003 0.000 0.217 435 A C 2.211 179.778 177.584 -0.028 0.000 1.169 435 A CA 1.593 53.601 52.037 -0.047 0.000 0.638 435 A CB -0.589 18.394 19.000 -0.029 0.000 0.812 435 A HN 0.472 nan 8.150 nan 0.000 0.446 436 S N -0.999 114.683 115.700 -0.030 0.000 2.371 436 S HA 0.063 4.531 4.470 -0.003 0.000 0.219 436 S C 0.738 175.416 174.600 0.130 0.000 1.040 436 S CA 0.863 59.105 58.200 0.070 0.000 0.958 436 S CB -0.175 63.138 63.200 0.188 0.000 0.860 436 S HN 0.829 nan 8.310 nan 0.000 0.487 437 H N -1.437 117.624 119.070 -0.015 0.000 2.981 437 H HA 0.378 4.933 4.556 -0.002 0.000 0.327 437 H C -1.204 174.115 175.328 -0.013 0.000 1.342 437 H CA -0.997 55.044 56.048 -0.013 0.000 1.123 437 H CB -0.035 29.723 29.762 -0.007 0.000 1.851 437 H HN 0.199 nan 8.280 nan 0.000 0.531 438 L N 1.709 122.974 121.223 0.070 0.000 2.461 438 L HA 0.146 4.485 4.340 -0.003 0.000 0.272 438 L C 0.813 177.669 176.870 -0.023 0.000 1.197 438 L CA -0.509 54.328 54.840 -0.005 0.000 0.836 438 L CB 0.293 42.376 42.059 0.040 0.000 1.105 438 L HN 0.312 nan 8.230 nan 0.000 0.477 439 L N 2.175 123.360 121.223 -0.063 0.000 2.482 439 L HA 0.056 4.395 4.340 -0.003 0.000 0.273 439 L C -0.052 176.806 176.870 -0.020 0.000 1.228 439 L CA 0.268 55.070 54.840 -0.064 0.000 0.827 439 L CB 0.428 42.446 42.059 -0.068 0.000 1.099 439 L HN 0.754 nan 8.230 nan 0.000 0.494 440 D N -1.333 119.038 120.400 -0.049 0.000 2.812 440 D HA 0.161 4.799 4.640 -0.003 0.000 0.318 440 D C 0.301 176.547 176.300 -0.090 0.000 1.234 440 D CA -0.637 53.341 54.000 -0.037 0.000 0.989 440 D CB 0.528 41.326 40.800 -0.005 0.000 1.442 440 D HN 0.323 nan 8.370 nan 0.000 0.537 441 E N -1.019 119.143 120.200 -0.064 0.000 2.171 441 E HA -0.164 4.184 4.350 -0.003 0.000 0.197 441 E C 1.546 178.073 176.600 -0.121 0.000 0.997 441 E CA 1.560 57.911 56.400 -0.081 0.000 0.810 441 E CB -0.045 29.629 29.700 -0.044 0.000 0.738 441 E HN 0.322 nan 8.360 nan 0.000 0.467 442 Q N -0.954 118.781 119.800 -0.109 0.000 2.424 442 Q HA 0.044 4.383 4.340 -0.003 0.000 0.204 442 Q C 1.516 177.425 176.000 -0.151 0.000 0.933 442 Q CA 1.413 57.142 55.803 -0.123 0.000 0.929 442 Q CB 0.548 29.233 28.738 -0.089 0.000 1.037 442 Q HN 0.474 nan 8.270 nan 0.000 0.511 443 T N -3.147 111.308 114.554 -0.166 0.000 3.003 443 T HA 0.273 4.621 4.350 -0.003 0.000 0.261 443 T C 1.151 175.669 174.700 -0.304 0.000 1.003 443 T CA -0.367 61.622 62.100 -0.185 0.000 0.917 443 T CB -0.215 68.583 68.868 -0.118 0.000 1.084 443 T HN 0.204 nan 8.240 nan 0.000 0.522 444 I N -1.230 119.081 120.570 -0.431 0.000 3.322 444 I HA 0.503 4.672 4.170 -0.003 0.000 0.296 444 I C 0.523 176.268 176.117 -0.620 0.000 1.101 444 I CA -1.528 59.276 61.300 -0.827 0.000 1.166 444 I CB 0.205 37.500 38.000 -1.175 0.000 1.475 444 I HN -0.027 nan 8.210 nan 0.000 0.665 445 Y N 3.882 123.658 120.300 -0.873 0.000 2.802 445 Y HA 0.094 4.642 4.550 -0.002 0.000 0.333 445 Y C -1.613 174.136 175.900 -0.253 0.000 1.244 445 Y CA -1.217 56.626 58.100 -0.427 0.000 1.558 445 Y CB 0.369 38.577 38.460 -0.421 0.000 1.233 445 Y HN 0.424 nan 8.280 nan 0.000 0.547 446 P HA -0.045 nan 4.420 nan 0.000 0.245 446 P C -0.946 175.985 177.300 -0.615 0.000 1.206 446 P CA 0.955 63.710 63.100 -0.575 0.000 0.781 446 P CB 0.266 31.529 31.700 -0.728 0.000 0.994 447 Y N -1.383 118.780 120.300 -0.229 0.000 2.534 447 Y HA 0.361 4.910 4.550 -0.002 0.000 0.329 447 Y C 0.605 176.754 175.900 0.415 0.000 1.154 447 Y CA -1.423 56.694 58.100 0.028 0.000 1.192 447 Y CB 0.176 38.477 38.460 -0.266 0.000 1.275 447 Y HN -0.245 nan 8.280 nan 0.000 0.491 448 Y N 4.026 124.590 120.300 0.441 0.000 2.650 448 Y HA 0.032 4.581 4.550 -0.003 0.000 0.331 448 Y C 0.894 177.082 175.900 0.480 0.000 1.165 448 Y CA 0.155 58.460 58.100 0.342 0.000 1.473 448 Y CB 0.039 38.635 38.460 0.227 0.000 1.224 448 Y HN 0.642 nan 8.280 nan 0.000 0.533 449 H N 3.596 122.576 119.070 -0.150 0.000 3.124 449 H HA 0.293 4.847 4.556 -0.003 0.000 0.250 449 H C 1.132 176.375 175.328 -0.142 0.000 1.184 449 H CA 0.088 56.158 56.048 0.037 0.000 1.013 449 H CB 0.068 29.974 29.762 0.240 0.000 1.891 449 H HN 0.890 nan 8.280 nan 0.000 0.687 450 G N 0.851 108.959 108.800 -1.154 0.000 2.199 450 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.254 450 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.254 450 G C -0.333 173.758 174.900 -1.349 0.000 0.982 450 G CA 0.343 44.658 45.100 -1.308 0.000 0.632 450 G HN 0.342 nan 8.290 nan 0.000 0.529 451 F N 1.092 120.539 119.950 -0.838 0.000 2.532 451 F HA 0.679 5.204 4.527 -0.003 0.000 0.321 451 F C 0.551 176.073 175.800 -0.464 0.000 1.089 451 F CA -0.949 56.674 58.000 -0.627 0.000 0.926 451 F CB 1.594 40.221 39.000 -0.621 0.000 1.168 451 F HN 0.078 nan 8.300 nan 0.000 0.459 452 E N 0.088 120.216 120.200 -0.120 0.000 2.284 452 E HA 0.300 4.648 4.350 -0.003 0.000 0.255 452 E C 0.530 177.150 176.600 0.033 0.000 1.052 452 E CA -0.644 55.742 56.400 -0.024 0.000 0.904 452 E CB 1.012 30.752 29.700 0.067 0.000 1.217 452 E HN 0.572 nan 8.360 nan 0.000 0.438 453 T N 0.246 114.834 114.554 0.058 0.000 2.624 453 T HA -0.281 4.067 4.350 -0.003 0.000 0.268 453 T C 1.839 176.641 174.700 0.171 0.000 1.041 453 T CA 2.241 64.388 62.100 0.077 0.000 1.159 453 T CB -0.561 68.349 68.868 0.071 0.000 0.863 453 T HN 0.594 nan 8.240 nan 0.000 0.434 454 Y N 1.614 122.016 120.300 0.171 0.000 2.241 454 Y HA -0.113 4.435 4.550 -0.002 0.000 0.286 454 Y C 2.434 178.461 175.900 0.212 0.000 1.166 454 Y CA 1.142 59.376 58.100 0.223 0.000 1.203 454 Y CB -0.968 37.658 38.460 0.278 0.000 0.977 454 Y HN 0.069 nan 8.280 nan 0.000 0.529 455 S N 0.019 115.481 115.700 -0.396 0.000 2.368 455 S HA -0.157 4.312 4.470 -0.003 0.000 0.224 455 S C 1.472 175.927 174.600 -0.241 0.000 1.029 455 S CA 1.401 59.371 58.200 -0.382 0.000 0.988 455 S CB -0.619 62.371 63.200 -0.349 0.000 0.838 455 S HN 0.690 nan 8.310 nan 0.000 0.462 456 W N 1.821 122.951 121.300 -0.283 0.000 2.355 456 W HA 0.050 4.709 4.660 -0.002 0.000 0.309 456 W C 2.058 178.495 176.519 -0.137 0.000 1.206 456 W CA 0.311 57.578 57.345 -0.129 0.000 1.284 456 W CB -0.771 28.615 29.460 -0.123 0.000 1.145 456 W HN 0.224 nan 8.180 nan 0.000 0.502 457 I N -0.532 120.102 120.570 0.108 0.000 2.179 457 I HA -0.327 3.842 4.170 -0.003 0.000 0.242 457 I C 2.248 178.239 176.117 -0.210 0.000 1.088 457 I CA 1.684 62.961 61.300 -0.038 0.000 1.357 457 I CB -1.051 36.961 38.000 0.020 0.000 1.051 457 I HN -0.071 nan 8.210 nan 0.000 0.409 458 T N 0.715 115.221 114.554 -0.081 0.000 2.746 458 T HA -0.149 4.199 4.350 -0.003 0.000 0.267 458 T C 1.923 176.426 174.700 -0.329 0.000 1.039 458 T CA 1.280 63.355 62.100 -0.041 0.000 1.142 458 T CB -0.076 68.971 68.868 0.298 0.000 0.866 458 T HN 0.136 nan 8.240 nan 0.000 0.444 459 M N 1.508 120.860 119.600 -0.413 0.000 2.132 459 M HA 0.007 4.486 4.480 -0.003 0.000 0.263 459 M C 2.087 178.027 176.300 -0.601 0.000 1.065 459 M CA 1.141 56.057 55.300 -0.640 0.000 1.122 459 M CB -1.541 30.479 32.600 -0.968 0.000 1.365 459 M HN 0.143 nan 8.290 nan 0.000 0.411 460 N N 0.866 119.307 118.700 -0.431 0.000 2.018 460 N HA -0.106 4.632 4.740 -0.003 0.000 0.196 460 N C 1.922 177.187 175.510 -0.409 0.000 1.043 460 N CA 1.331 54.174 53.050 -0.345 0.000 0.856 460 N CB -0.599 37.760 38.487 -0.213 0.000 1.042 460 N HN 0.328 nan 8.380 nan 0.000 0.423 461 L N -0.014 120.905 121.223 -0.506 0.000 2.046 461 L HA -0.066 4.273 4.340 -0.003 0.000 0.208 461 L C 2.395 178.884 176.870 -0.635 0.000 1.077 461 L CA 1.299 55.800 54.840 -0.566 0.000 0.747 461 L CB -0.916 40.587 42.059 -0.927 0.000 0.896 461 L HN 0.250 nan 8.230 nan 0.000 0.432 462 G N 0.191 108.410 108.800 -0.967 0.000 2.421 462 G HA2 -0.209 3.750 3.960 -0.003 0.000 0.216 462 G HA3 -0.209 3.750 3.960 -0.003 0.000 0.216 462 G C 1.617 175.911 174.900 -1.010 0.000 1.171 462 G CA 0.556 44.630 45.100 -1.711 0.000 0.775 462 G HN 0.228 nan 8.290 nan 0.000 0.543 463 L N -0.279 120.538 121.223 -0.676 0.000 2.109 463 L HA 0.244 4.583 4.340 -0.003 0.000 0.207 463 L C 2.142 178.900 176.870 -0.187 0.000 1.086 463 L CA 1.005 55.678 54.840 -0.279 0.000 0.760 463 L CB -0.015 41.868 42.059 -0.293 0.000 0.910 463 L HN 0.459 nan 8.230 nan 0.000 0.437 464 G N -0.387 108.277 108.800 -0.225 0.000 2.200 464 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.145 464 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.145 464 G C 0.086 174.919 174.900 -0.113 0.000 1.021 464 G CA -0.699 44.319 45.100 -0.137 0.000 0.720 464 G HN 0.132 nan 8.290 nan 0.000 0.494 465 I N 2.270 122.754 120.570 -0.144 0.000 2.293 465 I HA 0.326 4.494 4.170 -0.003 0.000 0.299 465 I C 0.248 176.296 176.117 -0.114 0.000 1.153 465 I CA -0.298 60.936 61.300 -0.111 0.000 1.302 465 I CB 0.680 38.614 38.000 -0.110 0.000 1.460 465 I HN -0.123 nan 8.210 nan 0.000 0.552 466 V N 7.710 127.578 119.914 -0.077 0.000 2.581 466 V HA 0.407 4.525 4.120 -0.003 0.000 0.303 466 V C -2.098 173.973 176.094 -0.039 0.000 1.041 466 V CA -1.940 60.327 62.300 -0.054 0.000 0.907 466 V CB 1.704 33.515 31.823 -0.020 0.000 0.994 466 V HN 0.475 nan 8.190 nan 0.000 0.442 467 P HA 0.149 nan 4.420 nan 0.000 0.269 467 P C 0.601 177.893 177.300 -0.014 0.000 1.215 467 P CA -0.112 62.978 63.100 -0.016 0.000 0.780 467 P CB 0.890 32.595 31.700 0.008 0.000 0.898 468 E N 1.718 121.911 120.200 -0.011 0.000 2.085 468 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 468 E C 0.302 176.889 176.600 -0.023 0.000 0.994 468 E CA 1.650 58.041 56.400 -0.015 0.000 0.801 468 E CB 0.184 29.879 29.700 -0.009 0.000 0.743 468 E HN 0.326 nan 8.360 nan 0.000 0.453 469 R N -0.981 119.508 120.500 -0.018 0.000 2.869 469 R HA 0.405 4.743 4.340 -0.003 0.000 0.263 469 R C -2.445 173.836 176.300 -0.031 0.000 1.066 469 R CA -1.950 54.131 56.100 -0.032 0.000 0.960 469 R CB 1.567 31.849 30.300 -0.030 0.000 1.221 469 R HN 0.000 nan 8.270 nan 0.000 0.474 470 P HA 0.130 nan 4.420 nan 0.000 0.276 470 P C -0.964 176.293 177.300 -0.073 0.000 1.252 470 P CA -0.483 62.578 63.100 -0.065 0.000 0.802 470 P CB 0.618 32.261 31.700 -0.095 0.000 1.035 471 R N 1.734 122.175 120.500 -0.098 0.000 2.486 471 R HA -0.007 4.331 4.340 -0.003 0.000 0.303 471 R C -1.327 174.896 176.300 -0.128 0.000 0.958 471 R CA -0.697 55.342 56.100 -0.102 0.000 1.077 471 R CB -0.261 29.968 30.300 -0.119 0.000 0.921 471 R HN 0.361 nan 8.270 nan 0.000 0.406 472 P HA -0.173 nan 4.420 nan 0.000 0.219 472 P C 0.611 177.926 177.300 0.024 0.000 1.146 472 P CA 1.278 64.365 63.100 -0.021 0.000 0.808 472 P CB 0.202 31.911 31.700 0.015 0.000 0.779 473 A N -0.301 122.495 122.820 -0.039 0.000 1.940 473 A HA -0.188 4.130 4.320 -0.003 0.000 0.219 473 A C 2.123 179.633 177.584 -0.124 0.000 1.176 473 A CA 1.420 53.437 52.037 -0.033 0.000 0.631 473 A CB -1.612 17.371 19.000 -0.028 0.000 0.814 473 A HN 0.159 nan 8.150 nan 0.000 0.446 474 L N -0.572 120.431 121.223 -0.367 0.000 2.131 474 L HA -0.164 4.175 4.340 -0.003 0.000 0.210 474 L C 2.270 179.064 176.870 -0.126 0.000 1.092 474 L CA 0.801 55.385 54.840 -0.426 0.000 0.759 474 L CB -0.596 41.074 42.059 -0.648 0.000 0.903 474 L HN 0.387 nan 8.230 nan 0.000 0.435 475 L N -1.001 120.161 121.223 -0.102 0.000 2.275 475 L HA -0.172 4.167 4.340 -0.003 0.000 0.215 475 L C 2.134 178.907 176.870 -0.162 0.000 1.119 475 L CA 0.790 55.556 54.840 -0.125 0.000 0.790 475 L CB -0.716 41.235 42.059 -0.180 0.000 0.919 475 L HN 0.422 nan 8.230 nan 0.000 0.443 476 H N -1.042 118.005 119.070 -0.038 0.000 2.539 476 H HA 0.271 4.825 4.556 -0.003 0.000 0.269 476 H C 0.545 175.886 175.328 0.021 0.000 0.980 476 H CA 0.183 56.225 56.048 -0.009 0.000 1.152 476 H CB 0.424 30.179 29.762 -0.012 0.000 1.407 476 H HN 0.314 nan 8.280 nan 0.000 0.564 477 M N 0.503 120.184 119.600 0.134 0.000 2.664 477 M HA 0.130 4.608 4.480 -0.003 0.000 0.314 477 M C -0.335 176.070 176.300 0.175 0.000 1.200 477 M CA -1.038 54.366 55.300 0.173 0.000 0.916 477 M CB 2.154 34.891 32.600 0.229 0.000 1.717 477 M HN -0.147 nan 8.290 nan 0.000 0.470 478 D N 3.261 123.748 120.400 0.146 0.000 2.358 478 D HA 0.121 4.759 4.640 -0.003 0.000 0.258 478 D C -1.618 174.712 176.300 0.049 0.000 1.223 478 D CA -1.548 52.499 54.000 0.079 0.000 0.886 478 D CB 0.932 41.759 40.800 0.045 0.000 1.120 478 D HN 0.262 nan 8.370 nan 0.000 0.482 479 P HA 0.034 nan 4.420 nan 0.000 0.241 479 P C 0.913 178.091 177.300 -0.203 0.000 1.191 479 P CA 0.192 63.238 63.100 -0.090 0.000 0.771 479 P CB 0.299 32.016 31.700 0.028 0.000 0.929 480 A N 1.702 124.446 122.820 -0.125 0.000 1.908 480 A HA -0.088 4.230 4.320 -0.003 0.000 0.218 480 A C -0.033 177.448 177.584 -0.171 0.000 1.181 480 A CA 1.659 53.628 52.037 -0.113 0.000 0.627 480 A CB -2.093 16.869 19.000 -0.064 0.000 0.818 480 A HN 0.209 nan 8.150 nan 0.000 0.445 481 P HA -0.123 nan 4.420 nan 0.000 0.215 481 P C 1.727 178.803 177.300 -0.373 0.000 1.153 481 P CA 1.995 64.952 63.100 -0.239 0.000 0.853 481 P CB -0.147 31.431 31.700 -0.203 0.000 0.788 482 A N -0.567 121.858 122.820 -0.658 0.000 1.873 482 A HA -0.137 4.182 4.320 -0.003 0.000 0.215 482 A C 2.266 179.655 177.584 -0.325 0.000 1.186 482 A CA 1.323 52.875 52.037 -0.810 0.000 0.616 482 A CB -1.627 16.403 19.000 -1.617 0.000 0.823 482 A HN 0.092 nan 8.150 nan 0.000 0.442 483 L N -0.642 120.499 121.223 -0.135 0.000 2.042 483 L HA -0.233 4.105 4.340 -0.003 0.000 0.210 483 L C 3.089 179.980 176.870 0.035 0.000 1.076 483 L CA 1.120 56.006 54.840 0.076 0.000 0.749 483 L CB -0.562 41.504 42.059 0.012 0.000 0.893 483 L HN 0.450 nan 8.230 nan 0.000 0.432 484 A N -0.252 122.529 122.820 -0.065 0.000 1.933 484 A HA -0.256 4.063 4.320 -0.003 0.000 0.218 484 A C 2.194 179.733 177.584 -0.074 0.000 1.175 484 A CA 1.950 53.951 52.037 -0.060 0.000 0.628 484 A CB -0.414 18.538 19.000 -0.080 0.000 0.814 484 A HN 0.385 nan 8.150 nan 0.000 0.444 485 E N -0.637 119.467 120.200 -0.160 0.000 2.107 485 E HA -0.078 4.271 4.350 -0.003 0.000 0.191 485 E C 1.515 178.013 176.600 -0.170 0.000 0.982 485 E CA 1.094 57.370 56.400 -0.207 0.000 0.809 485 E CB -0.466 29.034 29.700 -0.333 0.000 0.756 485 E HN 0.644 nan 8.360 nan 0.000 0.459 486 F N 0.721 120.628 119.950 -0.072 0.000 2.171 486 F HA -0.153 4.372 4.527 -0.003 0.000 0.300 486 F C 2.345 178.121 175.800 -0.041 0.000 1.090 486 F CA 0.992 58.965 58.000 -0.045 0.000 1.293 486 F CB 0.036 39.023 39.000 -0.022 0.000 1.013 486 F HN 0.047 nan 8.300 nan 0.000 0.486 487 E N 0.267 120.547 120.200 0.134 0.000 2.072 487 E HA -0.140 4.208 4.350 -0.003 0.000 0.191 487 E C 2.254 178.873 176.600 0.031 0.000 0.985 487 E CA 0.850 57.288 56.400 0.064 0.000 0.801 487 E CB -0.412 29.309 29.700 0.034 0.000 0.750 487 E HN 0.380 nan 8.360 nan 0.000 0.452 488 R N 0.218 120.722 120.500 0.007 0.000 2.091 488 R HA -0.095 4.244 4.340 -0.003 0.000 0.238 488 R C 2.611 178.913 176.300 0.004 0.000 1.136 488 R CA 1.019 57.115 56.100 -0.006 0.000 0.959 488 R CB -0.430 29.852 30.300 -0.029 0.000 0.856 488 R HN 0.158 nan 8.270 nan 0.000 0.437 489 L N -0.041 121.186 121.223 0.007 0.000 2.046 489 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 489 L C 2.815 179.701 176.870 0.027 0.000 1.077 489 L CA 1.386 56.236 54.840 0.016 0.000 0.747 489 L CB -0.399 41.671 42.059 0.018 0.000 0.896 489 L HN 0.181 nan 8.230 nan 0.000 0.432 490 R N 0.262 120.785 120.500 0.038 0.000 2.073 490 R HA -0.209 4.130 4.340 -0.003 0.000 0.234 490 R C 2.511 178.821 176.300 0.017 0.000 1.134 490 R CA 1.774 57.891 56.100 0.027 0.000 0.952 490 R CB -0.164 30.154 30.300 0.030 0.000 0.850 490 R HN 0.257 nan 8.270 nan 0.000 0.433 491 R N 0.698 121.208 120.500 0.016 0.000 2.066 491 R HA -0.124 4.214 4.340 -0.003 0.000 0.232 491 R C 1.795 178.101 176.300 0.009 0.000 1.131 491 R CA 1.895 58.001 56.100 0.010 0.000 0.955 491 R CB -0.137 30.168 30.300 0.008 0.000 0.851 491 R HN 0.325 nan 8.270 nan 0.000 0.432 492 E N -0.469 119.738 120.200 0.012 0.000 2.118 492 E HA -0.139 4.209 4.350 -0.003 0.000 0.195 492 E C 1.904 178.509 176.600 0.009 0.000 0.992 492 E CA 1.114 57.524 56.400 0.017 0.000 0.804 492 E CB -0.207 29.509 29.700 0.026 0.000 0.741 492 E HN 0.628 nan 8.360 nan 0.000 0.458 493 G N 1.648 110.451 108.800 0.004 0.000 2.433 493 G HA2 -0.292 3.667 3.960 -0.003 0.000 0.216 493 G HA3 -0.292 3.667 3.960 -0.003 0.000 0.216 493 G C 1.122 176.012 174.900 -0.016 0.000 1.186 493 G CA 1.095 46.188 45.100 -0.012 0.000 0.779 493 G HN 0.124 nan 8.290 nan 0.000 0.543 494 D N 0.696 121.094 120.400 -0.003 0.000 2.116 494 D HA -0.084 4.555 4.640 -0.003 0.000 0.193 494 D C 2.447 178.743 176.300 -0.006 0.000 0.998 494 D CA 1.186 55.185 54.000 -0.002 0.000 0.836 494 D CB -0.284 40.519 40.800 0.004 0.000 0.951 494 D HN 0.482 nan 8.370 nan 0.000 0.449 495 E N -0.015 120.184 120.200 -0.003 0.000 2.072 495 E HA -0.071 4.277 4.350 -0.003 0.000 0.191 495 E C 2.377 178.972 176.600 -0.009 0.000 0.985 495 E CA 0.364 56.764 56.400 -0.001 0.000 0.801 495 E CB -0.061 29.643 29.700 0.007 0.000 0.750 495 E HN 0.227 nan 8.360 nan 0.000 0.452 496 L N 0.953 122.164 121.223 -0.020 0.000 2.093 496 L HA -0.144 4.194 4.340 -0.003 0.000 0.208 496 L C 2.592 179.419 176.870 -0.072 0.000 1.085 496 L CA 0.897 55.708 54.840 -0.048 0.000 0.755 496 L CB -0.487 41.516 42.059 -0.093 0.000 0.904 496 L HN 0.287 nan 8.230 nan 0.000 0.435 497 I N -3.171 117.361 120.570 -0.063 0.000 2.500 497 I HA -0.052 4.116 4.170 -0.003 0.000 0.252 497 I C 2.533 178.634 176.117 -0.028 0.000 1.142 497 I CA 1.178 62.445 61.300 -0.056 0.000 1.451 497 I CB -0.520 37.455 38.000 -0.042 0.000 1.093 497 I HN 0.020 nan 8.210 nan 0.000 0.430 498 A N 1.380 124.190 122.820 -0.016 0.000 1.968 498 A HA 0.186 4.504 4.320 -0.003 0.000 0.217 498 A C 2.493 180.076 177.584 -0.002 0.000 1.169 498 A CA 1.527 53.562 52.037 -0.004 0.000 0.638 498 A CB -0.686 18.314 19.000 0.000 0.000 0.812 498 A HN 0.583 nan 8.150 nan 0.000 0.446 499 A N -0.651 122.165 122.820 -0.007 0.000 1.903 499 A HA 0.401 4.720 4.320 -0.003 0.000 0.213 499 A C 1.031 178.613 177.584 -0.003 0.000 1.185 499 A CA 0.156 52.193 52.037 -0.000 0.000 0.628 499 A CB -0.311 18.692 19.000 0.004 0.000 0.830 499 A HN 0.400 nan 8.150 nan 0.000 0.446 500 L N 1.439 122.648 121.223 -0.023 0.000 2.418 500 L HA 0.273 4.612 4.340 -0.003 0.000 0.265 500 L C -1.879 174.987 176.870 -0.006 0.000 1.143 500 L CA -2.031 52.790 54.840 -0.032 0.000 0.809 500 L CB 0.660 42.664 42.059 -0.091 0.000 1.124 500 L HN 0.202 nan 8.230 nan 0.000 0.456 501 P HA 0.111 nan 4.420 nan 0.000 0.277 501 P C -0.778 176.556 177.300 0.056 0.000 1.271 501 P CA -0.567 62.567 63.100 0.057 0.000 0.795 501 P CB 0.997 32.763 31.700 0.110 0.000 1.101 502 S N -0.654 115.100 115.700 0.089 0.000 2.600 502 S HA 0.022 4.490 4.470 -0.003 0.000 0.265 502 S C 1.574 176.265 174.600 0.152 0.000 1.325 502 S CA -0.355 57.907 58.200 0.103 0.000 1.002 502 S CB -0.190 63.083 63.200 0.121 0.000 0.921 502 S HN 0.706 nan 8.310 nan 0.000 0.554 503 C N 1.892 121.284 119.300 0.153 0.000 2.393 503 C HA -0.146 4.313 4.460 -0.003 0.000 0.276 503 C C 2.292 177.444 174.990 0.270 0.000 1.215 503 C CA 1.561 60.707 59.018 0.214 0.000 1.743 503 C CB -1.862 25.991 27.740 0.188 0.000 2.044 503 C HN 0.980 nan 8.230 nan 0.000 0.464 504 Y N 1.369 121.761 120.300 0.152 0.000 2.145 504 Y HA -0.122 4.426 4.550 -0.003 0.000 0.286 504 Y C 2.381 178.399 175.900 0.197 0.000 1.145 504 Y CA 2.399 60.604 58.100 0.175 0.000 1.148 504 Y CB -0.627 37.873 38.460 0.066 0.000 0.981 504 Y HN 0.454 nan 8.280 nan 0.000 0.507 505 E N -1.069 119.283 120.200 0.254 0.000 2.086 505 E HA -0.337 4.011 4.350 -0.003 0.000 0.200 505 E C 1.948 178.584 176.600 0.059 0.000 1.012 505 E CA 1.952 58.444 56.400 0.153 0.000 0.812 505 E CB -0.526 29.271 29.700 0.163 0.000 0.743 505 E HN 0.660 nan 8.360 nan 0.000 0.453 506 Y N 0.870 121.182 120.300 0.020 0.000 2.163 506 Y HA -0.152 4.397 4.550 -0.003 0.000 0.288 506 Y C 1.957 177.828 175.900 -0.050 0.000 1.136 506 Y CA 1.306 59.410 58.100 0.006 0.000 1.147 506 Y CB -0.153 38.334 38.460 0.044 0.000 0.987 506 Y HN -0.049 nan 8.280 nan 0.000 0.509 507 L N -0.166 121.044 121.223 -0.022 0.000 2.042 507 L HA -0.270 4.069 4.340 -0.003 0.000 0.210 507 L C 2.773 179.331 176.870 -0.519 0.000 1.076 507 L CA 1.277 55.952 54.840 -0.275 0.000 0.749 507 L CB -1.005 40.956 42.059 -0.163 0.000 0.893 507 L HN 0.361 nan 8.230 nan 0.000 0.432 508 A N 0.000 122.584 122.820 -0.394 0.000 1.940 508 A HA -0.244 4.074 4.320 -0.003 0.000 0.219 508 A C 2.505 179.920 177.584 -0.282 0.000 1.176 508 A CA 2.027 53.877 52.037 -0.313 0.000 0.631 508 A CB -0.718 18.125 19.000 -0.262 0.000 0.814 508 A HN 0.546 nan 8.150 nan 0.000 0.446 509 S N 0.224 115.733 115.700 -0.319 0.000 2.447 509 S HA -0.079 4.390 4.470 -0.003 0.000 0.233 509 S C 1.525 175.917 174.600 -0.347 0.000 1.006 509 S CA 1.158 59.178 58.200 -0.301 0.000 0.957 509 S CB -0.703 62.306 63.200 -0.317 0.000 0.773 509 S HN 0.971 nan 8.310 nan 0.000 0.507 510 I N -2.165 118.134 120.570 -0.452 0.000 3.976 510 I HA 0.310 4.478 4.170 -0.003 0.000 0.337 510 I C 0.369 176.282 176.117 -0.341 0.000 1.359 510 I CA -0.723 60.347 61.300 -0.383 0.000 1.098 510 I CB -0.013 37.735 38.000 -0.420 0.000 1.027 510 I HN 0.038 nan 8.210 nan 0.000 0.394 511 Q N 0.000 119.585 119.800 -0.359 0.000 2.315 511 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 511 Q CA 0.000 55.601 55.803 -0.336 0.000 1.022 511 Q CB 0.000 28.541 28.738 -0.328 0.000 1.108 511 Q HN 0.000 nan 8.270 nan 0.000 0.481