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 2q5o_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMKLAEALLR ALKDRGAQAM FGIPGDFALP FFKVAEETQI LPLHTLSHEP DATA SEQUENCE AVGFAADAAA RYSSTLGVAA VTYGAGAFNM VNAVAGAYAE KSPVVVISGA DATA SEQUENCE PGTTEGNAGL LLHHQGRTLD TQFQVFKEIT VAQARLDDPA KAPAEIARVL DATA SEQUENCE GAARAQSRPV YLEIPRNMVN AEVEPVGDDP AWPVDRDALA ACADEVLAAM DATA SEQUENCE RSATSPVLMV CVEVRRYGLE AKVAELAQRL GVPVVTTFMG RGLLADAPTP DATA SEQUENCE PLGTYIGVAG DAEITRLVEE SDGLFLLGAI LSDTNFAVSQ RKIDLRKTIH DATA SEQUENCE AFDRAVTLGY HTYADIPLAG LVDALLERLP PSXXXXXXXX XXAYPTGLQA DATA SEQUENCE DGEPIAPMDI ARAVNDRVRA GQEPLLIAAD MGDCLFTAMD MIDAGLMAPG DATA SEQUENCE YYAGMGFGVP AGIGAQCVSG GKRILTVVGD GAFQMTGWEL GNCRRLGIDP DATA SEQUENCE IVILFNNASW EMLRTFQPES AFNDLDDWRF ADMAAGMGGD GVRVRTRAEL DATA SEQUENCE KAALDKAFAT RGRFQLIEAM IPRGVLSDTL ARFVQGQKRL H 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.327 175.328 -0.001 0.000 0.993 0 H CA 0.000 56.048 56.048 0.001 0.000 1.023 0 H CB 0.000 29.762 29.762 0.001 0.000 1.292 1 M N -1.009 118.645 119.600 0.091 0.000 2.833 1 M HA 0.558 5.035 4.480 -0.005 0.000 0.270 1 M C -1.589 174.732 176.300 0.034 0.000 1.209 1 M CA -1.178 54.152 55.300 0.050 0.000 0.826 1 M CB 2.280 34.893 32.600 0.022 0.000 1.657 1 M HN 0.279 nan 8.290 nan 0.000 0.492 2 K N 1.065 121.479 120.400 0.023 0.000 2.436 2 K HA 0.186 4.504 4.320 -0.005 0.000 0.275 2 K C 0.710 177.322 176.600 0.021 0.000 0.999 2 K CA -0.190 56.110 56.287 0.022 0.000 0.980 2 K CB 1.156 33.662 32.500 0.010 0.000 0.919 2 K HN 0.660 nan 8.250 nan 0.000 0.484 3 L N 3.031 124.275 121.223 0.034 0.000 1.971 3 L HA -0.299 4.039 4.340 -0.005 0.000 0.215 3 L C 2.200 179.114 176.870 0.073 0.000 1.072 3 L CA 2.117 56.983 54.840 0.044 0.000 0.758 3 L CB -0.430 41.659 42.059 0.050 0.000 0.889 3 L HN 0.905 nan 8.230 nan 0.000 0.433 4 A N -0.624 122.259 122.820 0.105 0.000 1.917 4 A HA -0.335 3.983 4.320 -0.005 0.000 0.219 4 A C 2.264 179.851 177.584 0.005 0.000 1.182 4 A CA 2.222 54.342 52.037 0.138 0.000 0.633 4 A CB -0.846 18.163 19.000 0.015 0.000 0.819 4 A HN 0.702 nan 8.150 nan 0.000 0.448 5 E N -0.325 119.855 120.200 -0.033 0.000 2.072 5 E HA -0.089 4.258 4.350 -0.005 0.000 0.191 5 E C 2.159 178.747 176.600 -0.019 0.000 0.985 5 E CA 0.926 57.295 56.400 -0.051 0.000 0.801 5 E CB -0.256 29.418 29.700 -0.044 0.000 0.750 5 E HN 0.530 nan 8.360 nan 0.000 0.452 6 A N 1.074 123.894 122.820 0.001 0.000 1.972 6 A HA -0.158 4.159 4.320 -0.005 0.000 0.219 6 A C 2.090 179.682 177.584 0.015 0.000 1.169 6 A CA 1.162 53.201 52.037 0.003 0.000 0.635 6 A CB -0.484 18.516 19.000 0.000 0.000 0.810 6 A HN 0.378 nan 8.150 nan 0.000 0.446 7 L N -0.494 120.754 121.223 0.042 0.000 2.044 7 L HA 0.030 4.367 4.340 -0.005 0.000 0.205 7 L C 2.186 179.085 176.870 0.049 0.000 1.075 7 L CA 1.479 56.355 54.840 0.061 0.000 0.747 7 L CB -0.433 41.702 42.059 0.128 0.000 0.903 7 L HN 0.364 nan 8.230 nan 0.000 0.435 8 L N -0.761 120.482 121.223 0.033 0.000 2.131 8 L HA -0.179 4.158 4.340 -0.005 0.000 0.210 8 L C 2.724 179.581 176.870 -0.021 0.000 1.092 8 L CA 1.132 55.966 54.840 -0.010 0.000 0.759 8 L CB -0.470 41.538 42.059 -0.085 0.000 0.903 8 L HN 0.271 nan 8.230 nan 0.000 0.435 9 R N -0.288 120.202 120.500 -0.018 0.000 2.075 9 R HA -0.031 4.306 4.340 -0.005 0.000 0.226 9 R C 2.484 178.780 176.300 -0.007 0.000 1.114 9 R CA 1.103 57.193 56.100 -0.017 0.000 0.972 9 R CB -0.399 29.891 30.300 -0.016 0.000 0.869 9 R HN 0.296 nan 8.270 nan 0.000 0.437 10 A N 1.396 124.217 122.820 0.001 0.000 1.940 10 A HA -0.139 4.179 4.320 -0.005 0.000 0.219 10 A C 2.156 179.744 177.584 0.007 0.000 1.176 10 A CA 1.210 53.251 52.037 0.006 0.000 0.631 10 A CB -0.528 18.479 19.000 0.011 0.000 0.814 10 A HN 0.172 nan 8.150 nan 0.000 0.446 11 L N -1.071 120.157 121.223 0.008 0.000 2.056 11 L HA -0.154 4.183 4.340 -0.005 0.000 0.207 11 L C 2.627 179.498 176.870 0.000 0.000 1.078 11 L CA 1.870 56.715 54.840 0.008 0.000 0.749 11 L CB -0.356 41.711 42.059 0.013 0.000 0.901 11 L HN 0.453 nan 8.230 nan 0.000 0.433 12 K N -0.043 120.352 120.400 -0.009 0.000 2.155 12 K HA -0.157 4.160 4.320 -0.005 0.000 0.203 12 K C 1.551 178.147 176.600 -0.006 0.000 1.052 12 K CA 1.189 57.468 56.287 -0.013 0.000 0.948 12 K CB 0.107 32.592 32.500 -0.025 0.000 0.728 12 K HN 0.208 nan 8.250 nan 0.000 0.448 13 D N 0.570 120.968 120.400 -0.003 0.000 2.263 13 D HA -0.112 4.526 4.640 -0.005 0.000 0.208 13 D C 1.038 177.340 176.300 0.003 0.000 0.971 13 D CA 0.996 54.996 54.000 0.000 0.000 0.867 13 D CB 0.113 40.914 40.800 0.002 0.000 0.929 13 D HN 0.247 nan 8.370 nan 0.000 0.492 14 R N -0.681 119.822 120.500 0.004 0.000 2.388 14 R HA 0.293 4.630 4.340 -0.005 0.000 0.247 14 R C 1.109 177.412 176.300 0.005 0.000 0.931 14 R CA 0.370 56.473 56.100 0.005 0.000 1.082 14 R CB 0.763 31.066 30.300 0.006 0.000 1.135 14 R HN 0.101 nan 8.270 nan 0.000 0.525 15 G N 0.405 109.209 108.800 0.006 0.000 2.195 15 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.224 15 G HA3 -0.292 3.665 3.960 -0.005 0.000 0.224 15 G C 0.350 175.260 174.900 0.017 0.000 0.990 15 G CA -0.184 44.922 45.100 0.011 0.000 0.639 15 G HN 0.490 nan 8.290 nan 0.000 0.514 16 A N -0.065 122.763 122.820 0.013 0.000 2.561 16 A HA 0.526 4.843 4.320 -0.005 0.000 0.234 16 A C 1.134 178.721 177.584 0.006 0.000 1.055 16 A CA 1.574 53.621 52.037 0.016 0.000 0.756 16 A CB 0.189 19.193 19.000 0.007 0.000 0.986 16 A HN 0.582 nan 8.150 nan 0.000 0.505 17 Q N 0.233 120.042 119.800 0.014 0.000 2.322 17 Q HA 0.440 4.778 4.340 -0.005 0.000 0.250 17 Q C 0.238 176.202 176.000 -0.061 0.000 0.853 17 Q CA 0.718 56.520 55.803 -0.003 0.000 0.951 17 Q CB 0.707 29.468 28.738 0.038 0.000 1.114 17 Q HN 0.965 nan 8.270 nan 0.000 0.523 18 A N 0.739 123.505 122.820 -0.090 0.000 2.586 18 A HA 0.695 5.012 4.320 -0.005 0.000 0.290 18 A C -1.941 175.478 177.584 -0.275 0.000 1.086 18 A CA -0.659 51.217 52.037 -0.268 0.000 0.665 18 A CB 1.366 20.141 19.000 -0.375 0.000 1.279 18 A HN 0.130 nan 8.150 nan 0.000 0.423 19 M N 1.370 120.709 119.600 -0.435 0.000 2.142 19 M HA 0.681 5.158 4.480 -0.005 0.000 0.299 19 M C -2.093 173.977 176.300 -0.383 0.000 0.960 19 M CA -0.337 54.794 55.300 -0.282 0.000 0.920 19 M CB 0.580 33.041 32.600 -0.231 0.000 1.541 19 M HN 0.582 nan 8.290 nan 0.000 0.429 20 F N 2.549 122.505 119.950 0.010 0.000 2.399 20 F HA 0.920 5.444 4.527 -0.006 0.000 0.328 20 F C 0.907 176.749 175.800 0.069 0.000 1.084 20 F CA -0.092 57.948 58.000 0.066 0.000 1.053 20 F CB 2.047 41.097 39.000 0.083 0.000 1.209 20 F HN 0.669 nan 8.300 nan 0.000 0.502 21 G N 1.505 110.492 108.800 0.312 0.000 2.338 21 G HA2 0.513 4.470 3.960 -0.005 0.000 0.295 21 G HA3 0.513 4.470 3.960 -0.005 0.000 0.295 21 G C -2.151 173.029 174.900 0.467 0.000 1.461 21 G CA -0.837 44.487 45.100 0.374 0.000 0.817 21 G HN 0.542 nan 8.290 nan 0.000 0.556 22 I N 2.110 122.947 120.570 0.445 0.000 2.498 22 I HA 0.433 4.601 4.170 -0.005 0.000 0.290 22 I C -2.128 173.979 176.117 -0.017 0.000 1.032 22 I CA -2.178 59.269 61.300 0.244 0.000 1.073 22 I CB 3.273 41.369 38.000 0.160 0.000 1.251 22 I HN 0.301 nan 8.210 nan 0.000 0.426 23 P HA 0.461 nan 4.420 nan 0.000 0.278 23 P C -0.601 176.520 177.300 -0.298 0.000 1.266 23 P CA -0.208 62.379 63.100 -0.855 0.000 0.807 23 P CB 1.815 32.997 31.700 -0.864 0.000 1.094 24 G N -0.182 108.484 108.800 -0.224 0.000 2.673 24 G HA2 0.246 4.203 3.960 -0.005 0.000 0.292 24 G HA3 0.246 4.203 3.960 -0.005 0.000 0.292 24 G C 0.456 175.370 174.900 0.023 0.000 1.450 24 G CA -0.394 44.713 45.100 0.011 0.000 0.837 24 G HN 0.495 nan 8.290 nan 0.000 0.505 25 D N 0.137 120.559 120.400 0.037 0.000 2.149 25 D HA -0.228 4.409 4.640 -0.005 0.000 0.194 25 D C 1.530 177.789 176.300 -0.069 0.000 1.001 25 D CA 1.447 55.407 54.000 -0.066 0.000 0.849 25 D CB -0.182 40.522 40.800 -0.160 0.000 0.939 25 D HN 0.248 nan 8.370 nan 0.000 0.449 26 F N 1.122 121.120 119.950 0.080 0.000 2.451 26 F HA 0.130 4.655 4.527 -0.003 0.000 0.299 26 F C 2.655 178.478 175.800 0.038 0.000 1.101 26 F CA 0.984 59.007 58.000 0.038 0.000 1.436 26 F CB -0.124 38.894 39.000 0.029 0.000 1.074 26 F HN 0.161 nan 8.300 nan 0.000 0.553 27 A N -1.144 121.791 122.820 0.192 0.000 2.324 27 A HA 0.222 4.540 4.320 -0.005 0.000 0.220 27 A C 1.954 179.643 177.584 0.175 0.000 1.209 27 A CA -0.126 52.020 52.037 0.182 0.000 0.918 27 A CB -0.529 18.537 19.000 0.110 0.000 0.959 27 A HN 0.268 nan 8.150 nan 0.000 0.507 28 L N 0.069 121.318 121.223 0.043 0.000 2.064 28 L HA -0.206 4.131 4.340 -0.005 0.000 0.216 28 L C -0.554 176.404 176.870 0.147 0.000 1.077 28 L CA 1.962 56.831 54.840 0.047 0.000 0.766 28 L CB -1.391 40.669 42.059 0.003 0.000 0.890 28 L HN 0.246 nan 8.230 nan 0.000 0.435 29 P HA -0.223 nan 4.420 nan 0.000 0.213 29 P C 1.607 179.023 177.300 0.193 0.000 1.170 29 P CA 1.337 64.522 63.100 0.141 0.000 0.898 29 P CB -0.102 31.676 31.700 0.131 0.000 0.787 30 F N -0.811 119.226 119.950 0.146 0.000 2.091 30 F HA -0.242 4.282 4.527 -0.004 0.000 0.299 30 F C 1.993 177.910 175.800 0.196 0.000 1.103 30 F CA 1.591 59.682 58.000 0.153 0.000 1.228 30 F CB -0.901 38.206 39.000 0.178 0.000 0.984 30 F HN -0.214 nan 8.300 nan 0.000 0.477 31 F N 0.894 120.903 119.950 0.098 0.000 2.216 31 F HA -0.146 4.377 4.527 -0.006 0.000 0.300 31 F C 2.493 178.239 175.800 -0.089 0.000 1.085 31 F CA 1.722 59.719 58.000 -0.004 0.000 1.326 31 F CB -0.995 38.053 39.000 0.079 0.000 1.027 31 F HN -0.029 nan 8.300 nan 0.000 0.497 32 K N 0.356 120.834 120.400 0.130 0.000 2.026 32 K HA -0.155 4.162 4.320 -0.005 0.000 0.208 32 K C 2.059 178.624 176.600 -0.058 0.000 1.048 32 K CA 1.705 58.013 56.287 0.036 0.000 0.929 32 K CB -0.390 32.133 32.500 0.038 0.000 0.713 32 K HN 0.088 nan 8.250 nan 0.000 0.439 33 V N 1.487 121.329 119.914 -0.121 0.000 2.255 33 V HA -0.286 3.832 4.120 -0.005 0.000 0.247 33 V C 2.520 178.466 176.094 -0.247 0.000 1.051 33 V CA 2.061 64.251 62.300 -0.183 0.000 1.018 33 V CB -0.901 30.782 31.823 -0.234 0.000 0.641 33 V HN 0.558 nan 8.190 nan 0.000 0.445 34 A N -0.373 122.212 122.820 -0.391 0.000 1.873 34 A HA -0.346 3.971 4.320 -0.005 0.000 0.218 34 A C 2.297 179.736 177.584 -0.240 0.000 1.193 34 A CA 2.407 54.213 52.037 -0.385 0.000 0.629 34 A CB -0.690 17.992 19.000 -0.530 0.000 0.826 34 A HN 0.657 nan 8.150 nan 0.000 0.447 35 E N -0.324 119.770 120.200 -0.177 0.000 2.085 35 E HA -0.233 4.114 4.350 -0.005 0.000 0.194 35 E C 1.952 178.497 176.600 -0.091 0.000 0.994 35 E CA 1.510 57.844 56.400 -0.109 0.000 0.801 35 E CB -0.120 29.555 29.700 -0.041 0.000 0.743 35 E HN 0.785 nan 8.360 nan 0.000 0.453 36 E N -0.411 119.737 120.200 -0.087 0.000 2.051 36 E HA -0.125 4.222 4.350 -0.005 0.000 0.189 36 E C 2.330 178.884 176.600 -0.078 0.000 0.979 36 E CA 1.597 57.956 56.400 -0.068 0.000 0.803 36 E CB -0.194 29.473 29.700 -0.055 0.000 0.761 36 E HN 0.403 nan 8.360 nan 0.000 0.451 37 T N -1.167 113.327 114.554 -0.100 0.000 2.915 37 T HA -0.184 4.163 4.350 -0.005 0.000 0.269 37 T C 1.092 175.735 174.700 -0.096 0.000 1.071 37 T CA 0.888 62.931 62.100 -0.094 0.000 1.132 37 T CB -0.182 68.619 68.868 -0.111 0.000 0.878 37 T HN 0.159 nan 8.240 nan 0.000 0.479 38 Q N -0.235 119.495 119.800 -0.116 0.000 2.480 38 Q HA -0.191 4.146 4.340 -0.005 0.000 0.265 38 Q C 1.055 176.987 176.000 -0.114 0.000 1.072 38 Q CA 0.786 56.519 55.803 -0.117 0.000 1.018 38 Q CB -2.046 26.639 28.738 -0.088 0.000 1.433 38 Q HN 0.667 nan 8.270 nan 0.000 0.513 39 I N -0.321 120.177 120.570 -0.120 0.000 2.361 39 I HA -0.165 4.002 4.170 -0.005 0.000 0.251 39 I C 1.014 177.064 176.117 -0.112 0.000 1.133 39 I CA 1.284 62.523 61.300 -0.102 0.000 1.413 39 I CB 0.077 38.018 38.000 -0.100 0.000 1.073 39 I HN 0.161 nan 8.210 nan 0.000 0.424 40 L N -0.160 120.973 121.223 -0.151 0.000 2.455 40 L HA 0.410 4.748 4.340 -0.005 0.000 0.264 40 L C -2.569 174.150 176.870 -0.252 0.000 0.968 40 L CA -1.912 52.821 54.840 -0.179 0.000 0.827 40 L CB 2.251 44.205 42.059 -0.175 0.000 1.317 40 L HN -0.284 nan 8.230 nan 0.000 0.407 41 P HA 0.076 nan 4.420 nan 0.000 0.268 41 P C -0.996 175.930 177.300 -0.624 0.000 1.204 41 P CA -0.259 62.581 63.100 -0.434 0.000 0.768 41 P CB 0.561 31.977 31.700 -0.473 0.000 0.842 42 L N 5.369 126.280 121.223 -0.520 0.000 2.264 42 L HA 0.312 4.649 4.340 -0.005 0.000 0.287 42 L C -0.688 175.959 176.870 -0.372 0.000 1.039 42 L CA -0.177 54.397 54.840 -0.444 0.000 0.829 42 L CB -0.326 41.561 42.059 -0.287 0.000 1.211 42 L HN 0.363 nan 8.230 nan 0.000 0.427 43 H N 2.913 121.837 119.070 -0.244 0.000 2.504 43 H HA 0.459 5.013 4.556 -0.004 0.000 0.322 43 H C 0.038 175.392 175.328 0.043 0.000 1.055 43 H CA -0.356 55.616 56.048 -0.126 0.000 1.231 43 H CB 1.304 30.918 29.762 -0.246 0.000 1.417 43 H HN 0.659 nan 8.280 nan 0.000 0.472 44 T N 1.589 116.280 114.554 0.229 0.000 2.934 44 T HA 0.746 5.093 4.350 -0.005 0.000 0.283 44 T C 0.216 175.049 174.700 0.223 0.000 1.005 44 T CA -0.725 61.517 62.100 0.237 0.000 1.041 44 T CB 1.174 70.168 68.868 0.209 0.000 1.042 44 T HN 0.368 nan 8.240 nan 0.000 0.505 45 L N 0.616 121.965 121.223 0.211 0.000 2.301 45 L HA 0.462 4.800 4.340 -0.005 0.000 0.249 45 L C 1.298 178.259 176.870 0.151 0.000 1.069 45 L CA -1.154 53.788 54.840 0.169 0.000 0.865 45 L CB 1.808 43.966 42.059 0.165 0.000 1.467 45 L HN 0.725 nan 8.230 nan 0.000 0.419 46 S N -2.351 113.431 115.700 0.137 0.000 2.388 46 S HA 0.013 4.480 4.470 -0.005 0.000 0.223 46 S C 0.175 174.880 174.600 0.175 0.000 1.034 46 S CA 0.741 59.019 58.200 0.131 0.000 0.963 46 S CB -0.028 63.241 63.200 0.115 0.000 0.827 46 S HN 0.499 nan 8.310 nan 0.000 0.481 47 H N -0.299 118.815 119.070 0.073 0.000 2.679 47 H HA 0.246 4.799 4.556 -0.005 0.000 0.360 47 H C 0.009 175.363 175.328 0.043 0.000 1.105 47 H CA -0.597 55.487 56.048 0.061 0.000 1.196 47 H CB 1.429 31.232 29.762 0.069 0.000 1.636 47 H HN -0.073 nan 8.280 nan 0.000 0.531 48 E N 3.053 123.296 120.200 0.072 0.000 2.130 48 E HA -0.155 4.192 4.350 -0.005 0.000 0.196 48 E C -1.281 175.222 176.600 -0.162 0.000 0.998 48 E CA 1.598 57.977 56.400 -0.034 0.000 0.806 48 E CB -0.805 28.877 29.700 -0.030 0.000 0.738 48 E HN 0.572 nan 8.360 nan 0.000 0.459 49 P HA -0.203 nan 4.420 nan 0.000 0.215 49 P C 1.040 178.110 177.300 -0.384 0.000 1.153 49 P CA 2.074 64.924 63.100 -0.416 0.000 0.853 49 P CB -0.040 31.455 31.700 -0.343 0.000 0.788 50 A N -0.715 122.047 122.820 -0.097 0.000 1.933 50 A HA -0.164 4.154 4.320 -0.005 0.000 0.218 50 A C 2.332 179.880 177.584 -0.060 0.000 1.175 50 A CA 1.670 53.715 52.037 0.013 0.000 0.628 50 A CB -1.752 17.276 19.000 0.047 0.000 0.814 50 A HN 0.019 nan 8.150 nan 0.000 0.444 51 V N -0.079 119.812 119.914 -0.039 0.000 2.282 51 V HA -0.250 3.867 4.120 -0.005 0.000 0.249 51 V C 2.808 178.860 176.094 -0.070 0.000 1.057 51 V CA 2.184 64.487 62.300 0.006 0.000 1.032 51 V CB -1.428 30.448 31.823 0.088 0.000 0.645 51 V HN 0.620 nan 8.190 nan 0.000 0.447 52 G N -1.166 107.548 108.800 -0.143 0.000 2.421 52 G HA2 -0.220 3.737 3.960 -0.005 0.000 0.216 52 G HA3 -0.220 3.737 3.960 -0.005 0.000 0.216 52 G C 1.580 176.428 174.900 -0.087 0.000 1.171 52 G CA 0.822 45.831 45.100 -0.151 0.000 0.775 52 G HN 0.483 nan 8.290 nan 0.000 0.543 53 F N 1.578 121.479 119.950 -0.081 0.000 2.126 53 F HA -0.089 4.436 4.527 -0.004 0.000 0.299 53 F C 3.186 178.815 175.800 -0.285 0.000 1.096 53 F CA 0.550 58.480 58.000 -0.117 0.000 1.255 53 F CB -0.005 38.891 39.000 -0.173 0.000 0.997 53 F HN 0.263 nan 8.300 nan 0.000 0.479 54 A N 0.222 122.904 122.820 -0.230 0.000 1.873 54 A HA -0.096 4.221 4.320 -0.005 0.000 0.215 54 A C 2.353 179.514 177.584 -0.705 0.000 1.186 54 A CA 1.561 53.220 52.037 -0.631 0.000 0.616 54 A CB -1.236 17.149 19.000 -1.025 0.000 0.823 54 A HN 0.318 nan 8.150 nan 0.000 0.442 55 A N 0.026 122.545 122.820 -0.502 0.000 1.908 55 A HA -0.249 4.068 4.320 -0.005 0.000 0.218 55 A C 1.902 179.486 177.584 -0.000 0.000 1.181 55 A CA 2.313 54.299 52.037 -0.084 0.000 0.627 55 A CB -0.653 18.403 19.000 0.093 0.000 0.818 55 A HN 0.547 nan 8.150 nan 0.000 0.445 56 D N -0.174 120.234 120.400 0.012 0.000 2.117 56 D HA -0.017 4.620 4.640 -0.005 0.000 0.198 56 D C 2.071 178.433 176.300 0.103 0.000 0.982 56 D CA 1.649 55.710 54.000 0.103 0.000 0.828 56 D CB -0.332 40.600 40.800 0.220 0.000 0.967 56 D HN 0.311 nan 8.370 nan 0.000 0.464 57 A N 0.750 123.582 122.820 0.020 0.000 1.902 57 A HA 0.025 4.342 4.320 -0.005 0.000 0.217 57 A C 2.434 180.051 177.584 0.055 0.000 1.181 57 A CA 2.424 54.463 52.037 0.003 0.000 0.623 57 A CB -1.052 17.829 19.000 -0.198 0.000 0.818 57 A HN 0.323 nan 8.150 nan 0.000 0.443 58 A N -0.202 122.632 122.820 0.024 0.000 1.940 58 A HA 0.135 4.452 4.320 -0.005 0.000 0.219 58 A C 2.469 180.147 177.584 0.157 0.000 1.176 58 A CA 2.129 54.243 52.037 0.128 0.000 0.631 58 A CB -0.916 18.240 19.000 0.261 0.000 0.814 58 A HN 1.061 nan 8.150 nan 0.000 0.446 59 A N -0.408 122.483 122.820 0.118 0.000 1.930 59 A HA -0.099 4.218 4.320 -0.005 0.000 0.217 59 A C 2.242 179.871 177.584 0.074 0.000 1.175 59 A CA 1.290 53.379 52.037 0.086 0.000 0.627 59 A CB -0.390 18.644 19.000 0.056 0.000 0.815 59 A HN 0.542 nan 8.150 nan 0.000 0.443 60 R N -2.256 118.301 120.500 0.095 0.000 2.092 60 R HA -0.105 4.232 4.340 -0.005 0.000 0.231 60 R C 2.115 178.467 176.300 0.088 0.000 1.119 60 R CA 1.513 57.659 56.100 0.077 0.000 0.970 60 R CB -0.495 29.870 30.300 0.108 0.000 0.864 60 R HN 0.681 nan 8.270 nan 0.000 0.440 61 Y N 1.122 121.431 120.300 0.016 0.000 2.145 61 Y HA -0.176 4.371 4.550 -0.005 0.000 0.286 61 Y C 1.782 177.687 175.900 0.009 0.000 1.145 61 Y CA 1.745 59.852 58.100 0.012 0.000 1.148 61 Y CB 0.209 38.680 38.460 0.018 0.000 0.981 61 Y HN -0.108 nan 8.280 nan 0.000 0.507 62 S N -0.725 115.086 115.700 0.185 0.000 2.557 62 S HA 0.092 4.559 4.470 -0.005 0.000 0.223 62 S C 0.444 175.054 174.600 0.017 0.000 0.969 62 S CA 0.525 58.780 58.200 0.093 0.000 0.927 62 S CB 0.009 63.308 63.200 0.165 0.000 0.806 62 S HN 0.386 nan 8.310 nan 0.000 0.489 63 S N 1.543 117.239 115.700 -0.007 0.000 3.631 63 S HA -0.145 4.322 4.470 -0.005 0.000 0.366 63 S C 0.135 174.710 174.600 -0.041 0.000 0.993 63 S CA 1.085 59.257 58.200 -0.048 0.000 1.167 63 S CB -1.654 61.509 63.200 -0.061 0.000 0.909 63 S HN 0.717 nan 8.310 nan 0.000 0.478 64 T N -0.751 113.796 114.554 -0.013 0.000 2.618 64 T HA 0.711 5.058 4.350 -0.005 0.000 0.286 64 T C -0.465 174.234 174.700 -0.002 0.000 1.027 64 T CA -0.899 61.196 62.100 -0.008 0.000 1.063 64 T CB 0.678 69.558 68.868 0.021 0.000 1.440 64 T HN 0.225 nan 8.240 nan 0.000 0.505 65 L N 1.134 122.363 121.223 0.009 0.000 2.436 65 L HA 0.620 4.957 4.340 -0.005 0.000 0.265 65 L C 1.009 177.911 176.870 0.054 0.000 1.168 65 L CA -0.599 54.252 54.840 0.019 0.000 0.815 65 L CB 0.597 42.666 42.059 0.016 0.000 1.109 65 L HN 0.768 nan 8.230 nan 0.000 0.462 66 G N 0.933 109.773 108.800 0.067 0.000 2.453 66 G HA2 0.611 4.569 3.960 -0.005 0.000 0.323 66 G HA3 0.611 4.569 3.960 -0.005 0.000 0.323 66 G C -1.334 173.635 174.900 0.114 0.000 1.198 66 G CA -0.354 44.816 45.100 0.115 0.000 0.959 66 G HN 0.309 nan 8.290 nan 0.000 0.482 67 V N 0.752 120.764 119.914 0.164 0.000 2.443 67 V HA 0.695 4.813 4.120 -0.005 0.000 0.293 67 V C 0.051 176.253 176.094 0.180 0.000 1.021 67 V CA -0.794 61.580 62.300 0.124 0.000 0.848 67 V CB 1.276 33.139 31.823 0.065 0.000 0.998 67 V HN 1.127 nan 8.190 nan 0.000 0.424 68 A N 4.060 126.958 122.820 0.130 0.000 2.291 68 A HA 0.915 5.232 4.320 -0.005 0.000 0.311 68 A C -0.020 177.622 177.584 0.096 0.000 1.224 68 A CA -0.315 51.809 52.037 0.144 0.000 0.821 68 A CB 1.183 20.250 19.000 0.111 0.000 1.172 68 A HN 1.262 nan 8.150 nan 0.000 0.494 69 A N 2.471 125.373 122.820 0.138 0.000 2.288 69 A HA 0.759 5.077 4.320 -0.005 0.000 0.320 69 A C 0.040 177.825 177.584 0.335 0.000 1.217 69 A CA -0.131 52.012 52.037 0.176 0.000 0.840 69 A CB 0.560 19.646 19.000 0.142 0.000 1.179 69 A HN 2.090 nan 8.150 nan 0.000 0.504 70 V N -0.437 119.608 119.914 0.219 0.000 3.167 70 V HA 0.848 4.965 4.120 -0.005 0.000 0.310 70 V C 0.029 176.186 176.094 0.105 0.000 1.207 70 V CA -0.484 61.916 62.300 0.167 0.000 1.059 70 V CB 1.172 33.041 31.823 0.077 0.000 1.079 70 V HN 0.830 nan 8.190 nan 0.000 0.446 71 T N -0.230 114.362 114.554 0.063 0.000 2.881 71 T HA 0.493 4.840 4.350 -0.005 0.000 0.278 71 T C -0.781 173.978 174.700 0.098 0.000 0.982 71 T CA -0.160 62.005 62.100 0.109 0.000 0.989 71 T CB 0.681 69.638 68.868 0.147 0.000 1.058 71 T HN 0.804 nan 8.240 nan 0.000 0.529 72 Y N 1.772 122.078 120.300 0.010 0.000 2.702 72 Y HA 0.321 4.868 4.550 -0.005 0.000 0.336 72 Y C 1.410 177.215 175.900 -0.158 0.000 1.235 72 Y CA 1.377 59.391 58.100 -0.144 0.000 1.492 72 Y CB -0.248 37.994 38.460 -0.363 0.000 1.308 72 Y HN 0.984 nan 8.280 nan 0.000 0.589 73 G N 3.884 112.234 108.800 -0.750 0.000 4.608 73 G HA2 -0.465 3.492 3.960 -0.005 0.000 0.352 73 G HA3 -0.465 3.492 3.960 -0.005 0.000 0.352 73 G C 1.373 176.141 174.900 -0.221 0.000 1.395 73 G CA 1.254 46.010 45.100 -0.574 0.000 1.148 73 G HN 1.546 nan 8.290 nan 0.000 0.804 74 A N 0.584 123.171 122.820 -0.387 0.000 2.076 74 A HA 0.329 4.647 4.320 -0.005 0.000 0.220 74 A C 2.660 180.173 177.584 -0.118 0.000 1.160 74 A CA 2.435 54.312 52.037 -0.267 0.000 0.653 74 A CB -0.814 17.875 19.000 -0.519 0.000 0.801 74 A HN 1.842 nan 8.150 nan 0.000 0.455 75 G N -1.167 107.554 108.800 -0.131 0.000 2.524 75 G HA2 0.243 4.201 3.960 -0.005 0.000 0.210 75 G HA3 0.243 4.201 3.960 -0.005 0.000 0.210 75 G C 1.758 176.648 174.900 -0.016 0.000 1.187 75 G CA 0.884 45.964 45.100 -0.034 0.000 0.825 75 G HN 0.660 nan 8.290 nan 0.000 0.558 76 A N 0.812 123.583 122.820 -0.082 0.000 1.873 76 A HA 0.014 4.331 4.320 -0.005 0.000 0.218 76 A C 2.156 179.828 177.584 0.147 0.000 1.193 76 A CA 1.737 53.745 52.037 -0.048 0.000 0.629 76 A CB -0.794 18.033 19.000 -0.288 0.000 0.826 76 A HN 0.258 nan 8.150 nan 0.000 0.447 77 F N 0.186 120.184 119.950 0.080 0.000 2.250 77 F HA -0.123 4.402 4.527 -0.004 0.000 0.301 77 F C 1.992 177.767 175.800 -0.042 0.000 1.077 77 F CA 1.413 59.420 58.000 0.011 0.000 1.348 77 F CB -0.785 38.179 39.000 -0.059 0.000 1.040 77 F HN 0.260 nan 8.300 nan 0.000 0.509 78 N N -0.432 118.349 118.700 0.134 0.000 2.521 78 N HA -0.064 4.673 4.740 -0.005 0.000 0.188 78 N C 1.259 176.731 175.510 -0.064 0.000 1.146 78 N CA 0.421 53.476 53.050 0.008 0.000 0.893 78 N CB -0.227 38.250 38.487 -0.016 0.000 0.975 78 N HN 0.291 nan 8.380 nan 0.000 0.451 79 M N -1.133 118.468 119.600 0.002 0.000 2.347 79 M HA 0.173 4.650 4.480 -0.005 0.000 0.302 79 M C 0.674 176.939 176.300 -0.059 0.000 1.051 79 M CA 0.002 55.273 55.300 -0.048 0.000 0.988 79 M CB 0.593 33.212 32.600 0.031 0.000 1.475 79 M HN -0.157 nan 8.290 nan 0.000 0.530 80 V N 1.224 121.089 119.914 -0.082 0.000 2.332 80 V HA -0.290 3.827 4.120 -0.005 0.000 0.248 80 V C 1.975 177.952 176.094 -0.195 0.000 1.055 80 V CA 2.297 64.458 62.300 -0.232 0.000 1.038 80 V CB -0.866 30.817 31.823 -0.234 0.000 0.651 80 V HN 0.628 nan 8.190 nan 0.000 0.450 81 N N 0.493 119.111 118.700 -0.137 0.000 2.142 81 N HA -0.111 4.626 4.740 -0.005 0.000 0.186 81 N C 1.715 177.144 175.510 -0.135 0.000 1.023 81 N CA 1.674 54.682 53.050 -0.070 0.000 0.852 81 N CB -0.306 38.184 38.487 0.006 0.000 0.998 81 N HN 0.404 nan 8.380 nan 0.000 0.424 82 A N -0.183 122.476 122.820 -0.268 0.000 1.930 82 A HA -0.009 4.308 4.320 -0.005 0.000 0.217 82 A C 2.369 179.856 177.584 -0.162 0.000 1.175 82 A CA 1.364 53.199 52.037 -0.337 0.000 0.627 82 A CB -0.723 17.806 19.000 -0.785 0.000 0.815 82 A HN 0.176 nan 8.150 nan 0.000 0.443 83 V N -0.153 119.675 119.914 -0.142 0.000 2.358 83 V HA -0.203 3.914 4.120 -0.005 0.000 0.246 83 V C 3.034 179.059 176.094 -0.115 0.000 1.047 83 V CA 1.764 64.027 62.300 -0.062 0.000 1.035 83 V CB -1.146 30.689 31.823 0.021 0.000 0.658 83 V HN 0.593 nan 8.190 nan 0.000 0.452 84 A N 0.597 123.273 122.820 -0.240 0.000 1.933 84 A HA -0.100 4.218 4.320 -0.005 0.000 0.218 84 A C 2.397 179.653 177.584 -0.547 0.000 1.175 84 A CA 1.952 53.803 52.037 -0.310 0.000 0.628 84 A CB -1.129 17.699 19.000 -0.288 0.000 0.814 84 A HN 0.527 nan 8.150 nan 0.000 0.444 85 G N -0.676 107.588 108.800 -0.893 0.000 2.402 85 G HA2 0.055 4.012 3.960 -0.005 0.000 0.216 85 G HA3 0.055 4.012 3.960 -0.005 0.000 0.216 85 G C 1.693 176.416 174.900 -0.296 0.000 1.162 85 G CA 1.246 45.737 45.100 -1.014 0.000 0.777 85 G HN 0.783 nan 8.290 nan 0.000 0.539 86 A N -0.297 122.452 122.820 -0.117 0.000 1.969 86 A HA 0.042 4.359 4.320 -0.005 0.000 0.218 86 A C 2.125 179.719 177.584 0.017 0.000 1.169 86 A CA 1.479 53.514 52.037 -0.003 0.000 0.635 86 A CB -0.538 18.487 19.000 0.043 0.000 0.810 86 A HN 0.485 nan 8.150 nan 0.000 0.445 87 Y N 0.412 120.660 120.300 -0.086 0.000 2.163 87 Y HA -0.041 4.506 4.550 -0.007 0.000 0.288 87 Y C 2.627 178.550 175.900 0.038 0.000 1.136 87 Y CA 1.403 59.488 58.100 -0.026 0.000 1.147 87 Y CB -0.315 38.117 38.460 -0.046 0.000 0.987 87 Y HN 0.303 nan 8.280 nan 0.000 0.509 88 A N 0.225 123.200 122.820 0.258 0.000 1.933 88 A HA -0.171 4.146 4.320 -0.005 0.000 0.218 88 A C 1.673 179.477 177.584 0.367 0.000 1.175 88 A CA 1.848 54.091 52.037 0.343 0.000 0.628 88 A CB -0.523 18.540 19.000 0.104 0.000 0.814 88 A HN 0.657 nan 8.150 nan 0.000 0.444 89 E N -0.153 120.151 120.200 0.173 0.000 2.437 89 E HA 0.125 4.472 4.350 -0.005 0.000 0.195 89 E C -0.751 175.890 176.600 0.068 0.000 1.029 89 E CA -0.361 56.133 56.400 0.157 0.000 0.948 89 E CB 0.021 29.757 29.700 0.061 0.000 1.082 89 E HN 0.457 nan 8.360 nan 0.000 0.456 90 K N 0.916 121.326 120.400 0.017 0.000 3.278 90 K HA -0.172 4.145 4.320 -0.005 0.000 0.270 90 K C -0.313 176.231 176.600 -0.093 0.000 0.955 90 K CA 0.380 56.622 56.287 -0.076 0.000 0.723 90 K CB -1.654 30.820 32.500 -0.043 0.000 1.382 90 K HN 0.046 nan 8.250 nan 0.000 0.461 91 S N 1.421 117.084 115.700 -0.061 0.000 2.433 91 S HA 0.346 4.813 4.470 -0.005 0.000 0.310 91 S C -2.278 172.297 174.600 -0.041 0.000 1.097 91 S CA -1.662 56.513 58.200 -0.042 0.000 1.103 91 S CB 1.044 64.254 63.200 0.017 0.000 0.992 91 S HN 0.085 nan 8.310 nan 0.000 0.469 92 P HA 0.130 nan 4.420 nan 0.000 0.252 92 P C -0.645 176.660 177.300 0.009 0.000 1.727 92 P CA -0.163 62.915 63.100 -0.037 0.000 1.134 92 P CB 0.061 31.719 31.700 -0.069 0.000 1.876 93 V N 4.647 124.581 119.914 0.035 0.000 2.461 93 V HA 0.100 4.217 4.120 -0.005 0.000 0.275 93 V C 0.749 176.881 176.094 0.063 0.000 1.047 93 V CA -0.472 61.864 62.300 0.059 0.000 0.955 93 V CB 1.820 33.685 31.823 0.070 0.000 0.988 93 V HN 0.174 nan 8.190 nan 0.000 0.471 94 V N 6.591 126.538 119.914 0.054 0.000 2.348 94 V HA 0.238 4.355 4.120 -0.005 0.000 0.270 94 V C 0.137 176.244 176.094 0.022 0.000 1.037 94 V CA -0.430 61.891 62.300 0.034 0.000 0.872 94 V CB 1.490 33.324 31.823 0.017 0.000 1.002 94 V HN 0.612 nan 8.190 nan 0.000 0.464 95 V N 7.447 127.373 119.914 0.020 0.000 2.408 95 V HA 0.367 4.484 4.120 -0.005 0.000 0.267 95 V C 0.119 176.112 176.094 -0.169 0.000 1.047 95 V CA -0.057 62.235 62.300 -0.014 0.000 0.937 95 V CB 1.030 32.898 31.823 0.074 0.000 0.999 95 V HN 0.641 nan 8.190 nan 0.000 0.472 96 I N 4.440 124.902 120.570 -0.180 0.000 2.355 96 I HA 0.391 4.558 4.170 -0.005 0.000 0.288 96 I C 0.141 176.076 176.117 -0.304 0.000 0.999 96 I CA 0.102 61.205 61.300 -0.328 0.000 1.163 96 I CB 1.728 39.498 38.000 -0.384 0.000 1.316 96 I HN 0.575 nan 8.210 nan 0.000 0.454 97 S N 4.135 119.605 115.700 -0.383 0.000 2.482 97 S HA 0.707 5.174 4.470 -0.005 0.000 0.303 97 S C 0.019 174.503 174.600 -0.194 0.000 1.091 97 S CA -0.562 57.501 58.200 -0.227 0.000 1.057 97 S CB 1.454 64.551 63.200 -0.172 0.000 1.031 97 S HN 0.740 nan 8.310 nan 0.000 0.485 98 G N 2.141 110.906 108.800 -0.059 0.000 2.467 98 G HA2 0.629 4.586 3.960 -0.005 0.000 0.257 98 G HA3 0.629 4.586 3.960 -0.005 0.000 0.257 98 G C -0.250 174.623 174.900 -0.046 0.000 1.227 98 G CA 0.021 45.119 45.100 -0.003 0.000 0.835 98 G HN 1.044 nan 8.290 nan 0.000 0.556 99 A N 2.628 125.350 122.820 -0.164 0.000 2.530 99 A HA 0.951 5.268 4.320 -0.005 0.000 0.288 99 A C -2.933 174.311 177.584 -0.566 0.000 1.172 99 A CA -1.487 50.213 52.037 -0.562 0.000 0.733 99 A CB 1.479 20.253 19.000 -0.376 0.000 1.320 99 A HN 0.508 nan 8.150 nan 0.000 0.419 100 P HA 0.337 nan 4.420 nan 0.000 0.274 100 P C 0.384 177.627 177.300 -0.096 0.000 1.231 100 P CA 0.282 63.188 63.100 -0.323 0.000 0.790 100 P CB 0.638 32.070 31.700 -0.447 0.000 0.951 101 G N 0.454 109.286 108.800 0.053 0.000 2.559 101 G HA2 0.090 4.047 3.960 -0.005 0.000 0.235 101 G HA3 0.090 4.047 3.960 -0.005 0.000 0.235 101 G C 1.191 176.080 174.900 -0.019 0.000 1.266 101 G CA 0.038 45.150 45.100 0.020 0.000 0.847 101 G HN 0.575 nan 8.290 nan 0.000 0.583 102 T N -2.307 112.234 114.554 -0.022 0.000 3.052 102 T HA -0.149 4.198 4.350 -0.005 0.000 0.270 102 T C 1.803 176.492 174.700 -0.019 0.000 1.147 102 T CA 1.822 63.904 62.100 -0.030 0.000 1.089 102 T CB -0.303 68.551 68.868 -0.024 0.000 0.875 102 T HN 0.748 nan 8.240 nan 0.000 0.541 103 T N -2.500 112.051 114.554 -0.006 0.000 3.003 103 T HA 0.309 4.656 4.350 -0.005 0.000 0.261 103 T C 0.345 175.050 174.700 0.009 0.000 1.003 103 T CA -0.607 61.493 62.100 0.001 0.000 0.917 103 T CB 0.141 69.012 68.868 0.004 0.000 1.084 103 T HN 0.471 nan 8.240 nan 0.000 0.522 104 E N 0.978 121.188 120.200 0.015 0.000 2.371 104 E HA 0.475 4.822 4.350 -0.005 0.000 0.257 104 E C 0.978 177.593 176.600 0.025 0.000 1.134 104 E CA 0.074 56.495 56.400 0.035 0.000 0.919 104 E CB 0.353 30.098 29.700 0.074 0.000 1.025 104 E HN 0.386 nan 8.360 nan 0.000 0.438 105 G N 1.556 110.381 108.800 0.042 0.000 2.136 105 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.242 105 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.242 105 G C 0.100 175.017 174.900 0.027 0.000 0.989 105 G CA -0.038 45.085 45.100 0.038 0.000 0.682 105 G HN 0.515 nan 8.290 nan 0.000 0.522 106 N N -0.014 118.700 118.700 0.024 0.000 2.416 106 N HA 0.475 5.212 4.740 -0.005 0.000 0.267 106 N C 0.913 176.435 175.510 0.019 0.000 1.294 106 N CA 0.497 53.558 53.050 0.018 0.000 0.891 106 N CB 1.170 39.663 38.487 0.011 0.000 1.238 106 N HN 0.667 nan 8.380 nan 0.000 0.508 107 A N -0.381 122.454 122.820 0.024 0.000 2.606 107 A HA 0.552 4.869 4.320 -0.005 0.000 0.290 107 A C 1.326 178.925 177.584 0.024 0.000 1.174 107 A CA 0.073 52.124 52.037 0.022 0.000 0.958 107 A CB -0.153 18.861 19.000 0.024 0.000 1.194 107 A HN 0.198 nan 8.150 nan 0.000 0.526 108 G N -0.497 108.318 108.800 0.025 0.000 2.168 108 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.257 108 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.257 108 G C -0.015 174.904 174.900 0.032 0.000 0.997 108 G CA 0.850 45.965 45.100 0.026 0.000 0.708 108 G HN 0.572 nan 8.290 nan 0.000 0.520 109 L N -0.519 120.729 121.223 0.041 0.000 2.354 109 L HA 0.670 5.008 4.340 -0.005 0.000 0.269 109 L C 0.696 177.607 176.870 0.068 0.000 1.005 109 L CA -1.289 53.582 54.840 0.052 0.000 0.819 109 L CB 1.799 43.889 42.059 0.053 0.000 1.311 109 L HN -0.022 nan 8.230 nan 0.000 0.423 110 L N 2.770 124.040 121.223 0.078 0.000 2.375 110 L HA 0.463 4.800 4.340 -0.005 0.000 0.271 110 L C -0.465 176.488 176.870 0.138 0.000 1.107 110 L CA -0.505 54.394 54.840 0.099 0.000 0.806 110 L CB 0.936 43.051 42.059 0.093 0.000 1.146 110 L HN 0.353 nan 8.230 nan 0.000 0.447 111 L N 2.098 123.423 121.223 0.170 0.000 2.309 111 L HA 0.367 4.704 4.340 -0.005 0.000 0.282 111 L C 0.135 177.155 176.870 0.250 0.000 1.036 111 L CA -1.099 53.889 54.840 0.246 0.000 0.806 111 L CB 1.046 43.257 42.059 0.252 0.000 1.220 111 L HN 0.622 nan 8.230 nan 0.000 0.429 112 H N 2.180 121.355 119.070 0.175 0.000 3.001 112 H HA -0.023 4.531 4.556 -0.004 0.000 0.334 112 H C 0.029 175.518 175.328 0.267 0.000 1.034 112 H CA 0.299 56.420 56.048 0.122 0.000 1.420 112 H CB 0.357 30.078 29.762 -0.068 0.000 1.405 112 H HN 0.788 nan 8.280 nan 0.000 0.593 113 H N -1.177 117.981 119.070 0.146 0.000 4.251 113 H HA -0.207 4.345 4.556 -0.006 0.000 0.125 113 H C 0.466 175.753 175.328 -0.068 0.000 0.689 113 H CA 1.076 57.159 56.048 0.058 0.000 1.244 113 H CB -1.308 28.498 29.762 0.074 0.000 0.672 113 H HN 0.904 nan 8.280 nan 0.000 0.576 114 Q N 1.626 121.539 119.800 0.188 0.000 2.394 114 Q HA 0.498 4.836 4.340 -0.005 0.000 0.248 114 Q C 1.066 177.140 176.000 0.123 0.000 0.992 114 Q CA 0.305 56.188 55.803 0.132 0.000 0.888 114 Q CB 1.327 30.219 28.738 0.257 0.000 1.257 114 Q HN 0.336 nan 8.270 nan 0.000 0.462 115 G N 0.983 109.867 108.800 0.139 0.000 2.531 115 G HA2 0.046 4.003 3.960 -0.005 0.000 0.253 115 G HA3 0.046 4.003 3.960 -0.005 0.000 0.253 115 G C 0.352 175.307 174.900 0.092 0.000 1.439 115 G CA -0.380 44.802 45.100 0.137 0.000 1.056 115 G HN 0.876 nan 8.290 nan 0.000 0.555 116 R N -0.963 119.572 120.500 0.058 0.000 2.113 116 R HA -0.085 4.253 4.340 -0.005 0.000 0.244 116 R C 1.212 177.551 176.300 0.064 0.000 1.142 116 R CA 1.984 58.112 56.100 0.047 0.000 0.953 116 R CB -0.570 29.747 30.300 0.027 0.000 0.860 116 R HN 0.611 nan 8.270 nan 0.000 0.438 117 T N -3.949 110.653 114.554 0.080 0.000 2.926 117 T HA 0.309 4.656 4.350 -0.005 0.000 0.289 117 T C 1.123 175.893 174.700 0.118 0.000 1.054 117 T CA -0.903 61.246 62.100 0.082 0.000 1.015 117 T CB 1.456 70.362 68.868 0.064 0.000 1.167 117 T HN 0.063 nan 8.240 nan 0.000 0.526 118 L N 0.010 121.300 121.223 0.110 0.000 2.362 118 L HA 0.068 4.405 4.340 -0.005 0.000 0.219 118 L C 1.848 178.818 176.870 0.167 0.000 1.134 118 L CA 1.294 56.227 54.840 0.155 0.000 0.807 118 L CB -0.375 41.725 42.059 0.068 0.000 0.927 118 L HN 0.777 nan 8.230 nan 0.000 0.447 119 D N -1.364 119.103 120.400 0.112 0.000 2.349 119 D HA -0.051 4.587 4.640 -0.005 0.000 0.214 119 D C 1.810 178.222 176.300 0.186 0.000 1.063 119 D CA 0.306 54.374 54.000 0.113 0.000 0.847 119 D CB 0.368 41.178 40.800 0.018 0.000 0.933 119 D HN -0.011 nan 8.370 nan 0.000 0.513 120 T N -0.227 114.432 114.554 0.177 0.000 2.652 120 T HA -0.248 4.099 4.350 -0.005 0.000 0.267 120 T C 1.727 176.587 174.700 0.267 0.000 1.039 120 T CA 1.471 63.691 62.100 0.200 0.000 1.153 120 T CB -0.256 68.729 68.868 0.195 0.000 0.863 120 T HN 0.289 nan 8.240 nan 0.000 0.428 121 Q N -0.407 119.529 119.800 0.227 0.000 2.135 121 Q HA -0.152 4.186 4.340 -0.005 0.000 0.204 121 Q C 2.049 178.119 176.000 0.115 0.000 0.981 121 Q CA 1.531 57.356 55.803 0.038 0.000 0.856 121 Q CB -0.320 28.174 28.738 -0.406 0.000 0.902 121 Q HN 0.592 nan 8.270 nan 0.000 0.425 122 F N 0.755 120.719 119.950 0.023 0.000 2.134 122 F HA -0.230 4.297 4.527 0.000 0.000 0.299 122 F C 2.297 178.106 175.800 0.015 0.000 1.097 122 F CA 1.384 59.392 58.000 0.015 0.000 1.264 122 F CB 0.046 39.117 39.000 0.119 0.000 1.001 122 F HN 0.125 nan 8.300 nan 0.000 0.479 123 Q N 0.012 119.995 119.800 0.305 0.000 2.170 123 Q HA -0.131 4.206 4.340 -0.005 0.000 0.203 123 Q C 2.533 178.555 176.000 0.037 0.000 0.976 123 Q CA 1.458 57.368 55.803 0.178 0.000 0.858 123 Q CB -0.911 27.921 28.738 0.158 0.000 0.907 123 Q HN 0.385 nan 8.270 nan 0.000 0.433 124 V N 0.228 120.170 119.914 0.046 0.000 2.270 124 V HA -0.213 3.905 4.120 -0.005 0.000 0.245 124 V C 1.979 177.926 176.094 -0.245 0.000 1.043 124 V CA 1.571 63.837 62.300 -0.056 0.000 1.014 124 V CB -0.666 31.208 31.823 0.085 0.000 0.645 124 V HN 0.171 nan 8.190 nan 0.000 0.447 125 F N 0.499 120.238 119.950 -0.352 0.000 2.333 125 F HA -0.102 4.423 4.527 -0.005 0.000 0.300 125 F C 2.268 177.840 175.800 -0.380 0.000 1.083 125 F CA 1.278 58.989 58.000 -0.483 0.000 1.395 125 F CB -0.442 37.952 39.000 -1.010 0.000 1.056 125 F HN 0.078 nan 8.300 nan 0.000 0.529 126 K N -0.041 120.226 120.400 -0.222 0.000 2.280 126 K HA -0.162 4.155 4.320 -0.005 0.000 0.202 126 K C 1.670 178.192 176.600 -0.131 0.000 1.047 126 K CA 1.088 57.277 56.287 -0.163 0.000 0.942 126 K CB -0.122 32.318 32.500 -0.101 0.000 0.739 126 K HN 0.206 nan 8.250 nan 0.000 0.457 127 E N 0.449 120.543 120.200 -0.178 0.000 2.358 127 E HA -0.075 4.272 4.350 -0.005 0.000 0.195 127 E C 1.539 177.937 176.600 -0.335 0.000 1.010 127 E CA 0.808 57.080 56.400 -0.213 0.000 0.856 127 E CB 0.206 29.788 29.700 -0.197 0.000 0.795 127 E HN 0.534 nan 8.360 nan 0.000 0.504 128 I N -1.757 118.615 120.570 -0.330 0.000 3.966 128 I HA 0.246 4.414 4.170 -0.005 0.000 0.324 128 I C 0.020 176.082 176.117 -0.091 0.000 1.517 128 I CA -0.409 60.658 61.300 -0.388 0.000 1.117 128 I CB 0.595 38.386 38.000 -0.350 0.000 1.190 128 I HN -0.238 nan 8.210 nan 0.000 0.466 129 T N -1.785 112.784 114.554 0.024 0.000 2.896 129 T HA 0.455 4.802 4.350 -0.005 0.000 0.297 129 T C 0.660 175.518 174.700 0.263 0.000 1.108 129 T CA -0.086 62.152 62.100 0.230 0.000 1.004 129 T CB 2.129 71.103 68.868 0.177 0.000 1.159 129 T HN 0.034 nan 8.240 nan 0.000 0.499 130 V N -1.833 118.240 119.914 0.264 0.000 3.506 130 V HA 0.720 4.837 4.120 -0.005 0.000 0.263 130 V C 0.688 176.876 176.094 0.157 0.000 1.203 130 V CA 0.578 63.010 62.300 0.221 0.000 1.133 130 V CB -1.006 30.917 31.823 0.167 0.000 0.802 130 V HN 1.337 nan 8.190 nan 0.000 0.459 131 A N -0.049 122.851 122.820 0.133 0.000 2.594 131 A HA 0.849 5.166 4.320 -0.005 0.000 0.296 131 A C -1.474 176.166 177.584 0.092 0.000 1.061 131 A CA -0.687 51.417 52.037 0.111 0.000 0.689 131 A CB 1.866 20.939 19.000 0.122 0.000 1.280 131 A HN 0.367 nan 8.150 nan 0.000 0.406 132 Q N -0.553 119.294 119.800 0.078 0.000 2.456 132 Q HA 0.877 5.215 4.340 -0.005 0.000 0.284 132 Q C -0.756 175.337 176.000 0.154 0.000 1.061 132 Q CA -0.025 55.818 55.803 0.066 0.000 0.799 132 Q CB 2.338 30.970 28.738 -0.177 0.000 1.445 132 Q HN 1.946 nan 8.270 nan 0.000 0.411 133 A N 0.890 123.808 122.820 0.164 0.000 2.540 133 A HA 0.746 5.064 4.320 -0.005 0.000 0.297 133 A C -1.590 176.094 177.584 0.167 0.000 1.056 133 A CA -0.716 51.435 52.037 0.190 0.000 0.700 133 A CB 1.528 20.571 19.000 0.073 0.000 1.280 133 A HN 0.580 nan 8.150 nan 0.000 0.398 134 R N 3.065 123.673 120.500 0.180 0.000 2.215 134 R HA 0.529 4.866 4.340 -0.005 0.000 0.336 134 R C -1.138 175.159 176.300 -0.005 0.000 0.996 134 R CA -0.592 55.546 56.100 0.063 0.000 0.847 134 R CB 0.279 30.571 30.300 -0.015 0.000 1.127 134 R HN 0.693 nan 8.270 nan 0.000 0.465 135 L N 5.862 127.062 121.223 -0.038 0.000 2.391 135 L HA 0.126 4.463 4.340 -0.005 0.000 0.249 135 L C 0.085 176.937 176.870 -0.031 0.000 1.308 135 L CA -0.093 54.728 54.840 -0.032 0.000 1.209 135 L CB -0.063 41.971 42.059 -0.042 0.000 1.401 135 L HN 0.730 nan 8.230 nan 0.000 0.416 136 D N -2.080 118.302 120.400 -0.029 0.000 2.395 136 D HA 0.031 4.668 4.640 -0.005 0.000 0.213 136 D C 0.171 176.459 176.300 -0.020 0.000 1.110 136 D CA -0.171 53.811 54.000 -0.030 0.000 0.835 136 D CB 0.373 41.146 40.800 -0.045 0.000 0.965 136 D HN 0.109 nan 8.370 nan 0.000 0.505 137 D N 0.263 120.655 120.400 -0.014 0.000 2.402 137 D HA 0.218 4.855 4.640 -0.005 0.000 0.252 137 D C -2.002 174.295 176.300 -0.005 0.000 1.294 137 D CA -2.118 51.877 54.000 -0.009 0.000 0.948 137 D CB 2.232 43.027 40.800 -0.009 0.000 1.202 137 D HN -0.246 nan 8.370 nan 0.000 0.561 138 P HA -0.132 nan 4.420 nan 0.000 0.216 138 P C 1.179 178.473 177.300 -0.009 0.000 1.150 138 P CA 1.443 64.543 63.100 -0.000 0.000 0.843 138 P CB 0.297 32.004 31.700 0.011 0.000 0.787 139 A N -0.214 122.603 122.820 -0.005 0.000 1.940 139 A HA -0.215 4.102 4.320 -0.005 0.000 0.219 139 A C 1.986 179.562 177.584 -0.014 0.000 1.176 139 A CA 1.821 53.853 52.037 -0.009 0.000 0.631 139 A CB -0.889 18.111 19.000 -0.000 0.000 0.814 139 A HN 0.221 nan 8.150 nan 0.000 0.446 140 K N -0.986 119.409 120.400 -0.010 0.000 2.353 140 K HA 0.367 4.684 4.320 -0.005 0.000 0.195 140 K C 2.017 178.613 176.600 -0.007 0.000 1.031 140 K CA 0.462 56.745 56.287 -0.007 0.000 1.079 140 K CB 0.106 32.604 32.500 -0.003 0.000 0.857 140 K HN 0.370 nan 8.250 nan 0.000 0.535 141 A N 2.837 125.652 122.820 -0.009 0.000 1.873 141 A HA -0.135 4.182 4.320 -0.005 0.000 0.218 141 A C -0.635 176.945 177.584 -0.007 0.000 1.193 141 A CA 1.478 53.511 52.037 -0.007 0.000 0.629 141 A CB -1.451 17.545 19.000 -0.007 0.000 0.826 141 A HN 0.105 nan 8.150 nan 0.000 0.447 142 P HA -0.205 nan 4.420 nan 0.000 0.215 142 P C 1.763 179.061 177.300 -0.003 0.000 1.163 142 P CA 2.280 65.371 63.100 -0.015 0.000 0.894 142 P CB -0.172 31.509 31.700 -0.033 0.000 0.791 143 A N -0.511 122.308 122.820 -0.003 0.000 1.969 143 A HA -0.195 4.122 4.320 -0.005 0.000 0.218 143 A C 2.184 179.778 177.584 0.016 0.000 1.169 143 A CA 1.441 53.481 52.037 0.006 0.000 0.635 143 A CB -0.967 18.035 19.000 0.003 0.000 0.810 143 A HN 0.084 nan 8.150 nan 0.000 0.445 144 E N 0.009 120.217 120.200 0.014 0.000 2.047 144 E HA -0.124 4.223 4.350 -0.005 0.000 0.191 144 E C 2.026 178.640 176.600 0.024 0.000 0.987 144 E CA 0.815 57.229 56.400 0.023 0.000 0.799 144 E CB -0.369 29.343 29.700 0.019 0.000 0.752 144 E HN 0.514 nan 8.360 nan 0.000 0.449 145 I N 1.425 122.004 120.570 0.014 0.000 2.194 145 I HA -0.246 3.921 4.170 -0.005 0.000 0.246 145 I C 2.421 178.554 176.117 0.027 0.000 1.093 145 I CA 1.175 62.483 61.300 0.014 0.000 1.355 145 I CB -1.646 36.359 38.000 0.009 0.000 1.046 145 I HN -0.055 nan 8.210 nan 0.000 0.413 146 A N 0.633 123.471 122.820 0.030 0.000 1.877 146 A HA -0.234 4.083 4.320 -0.005 0.000 0.216 146 A C 2.589 180.213 177.584 0.067 0.000 1.186 146 A CA 1.834 53.897 52.037 0.043 0.000 0.620 146 A CB -0.653 18.369 19.000 0.037 0.000 0.822 146 A HN 0.378 nan 8.150 nan 0.000 0.443 147 R N -0.356 120.182 120.500 0.064 0.000 2.070 147 R HA -0.109 4.228 4.340 -0.005 0.000 0.233 147 R C 1.993 178.358 176.300 0.108 0.000 1.137 147 R CA 2.034 58.184 56.100 0.085 0.000 0.945 147 R CB -0.547 29.787 30.300 0.058 0.000 0.845 147 R HN 0.274 nan 8.270 nan 0.000 0.430 148 V N 1.637 121.600 119.914 0.081 0.000 2.261 148 V HA -0.263 3.854 4.120 -0.005 0.000 0.246 148 V C 2.460 178.601 176.094 0.079 0.000 1.047 148 V CA 1.853 64.202 62.300 0.081 0.000 1.015 148 V CB -0.475 31.379 31.823 0.051 0.000 0.642 148 V HN 0.372 nan 8.190 nan 0.000 0.446 149 L N 0.359 121.617 121.223 0.058 0.000 2.191 149 L HA -0.089 4.248 4.340 -0.005 0.000 0.212 149 L C 2.568 179.472 176.870 0.058 0.000 1.103 149 L CA 1.539 56.406 54.840 0.046 0.000 0.769 149 L CB -1.078 41.000 42.059 0.032 0.000 0.908 149 L HN 0.507 nan 8.230 nan 0.000 0.438 150 G N -0.455 108.403 108.800 0.097 0.000 2.408 150 G HA2 -0.174 3.783 3.960 -0.005 0.000 0.217 150 G HA3 -0.174 3.783 3.960 -0.005 0.000 0.217 150 G C 1.782 176.770 174.900 0.146 0.000 1.150 150 G CA 0.706 45.883 45.100 0.130 0.000 0.776 150 G HN 0.448 nan 8.290 nan 0.000 0.542 151 A N 1.173 124.124 122.820 0.219 0.000 1.930 151 A HA 0.330 4.647 4.320 -0.005 0.000 0.217 151 A C 2.782 180.411 177.584 0.074 0.000 1.175 151 A CA 2.044 54.237 52.037 0.259 0.000 0.627 151 A CB -0.685 18.480 19.000 0.275 0.000 0.815 151 A HN 0.699 nan 8.150 nan 0.000 0.443 152 A N -0.126 122.724 122.820 0.050 0.000 1.933 152 A HA -0.152 4.165 4.320 -0.005 0.000 0.218 152 A C 2.263 179.814 177.584 -0.055 0.000 1.175 152 A CA 1.538 53.576 52.037 0.002 0.000 0.628 152 A CB -0.399 18.610 19.000 0.015 0.000 0.814 152 A HN 0.560 nan 8.150 nan 0.000 0.444 153 R N -0.723 119.743 120.500 -0.056 0.000 2.062 153 R HA 0.048 4.385 4.340 -0.005 0.000 0.229 153 R C 2.513 178.731 176.300 -0.136 0.000 1.128 153 R CA 1.114 57.160 56.100 -0.091 0.000 0.960 153 R CB -0.397 29.867 30.300 -0.060 0.000 0.855 153 R HN 0.482 nan 8.270 nan 0.000 0.432 154 A N 1.029 123.693 122.820 -0.259 0.000 1.897 154 A HA -0.151 4.166 4.320 -0.005 0.000 0.215 154 A C 1.869 179.260 177.584 -0.321 0.000 1.181 154 A CA 1.107 52.849 52.037 -0.492 0.000 0.620 154 A CB -0.176 17.999 19.000 -1.376 0.000 0.821 154 A HN 0.294 nan 8.150 nan 0.000 0.443 155 Q N -1.095 118.558 119.800 -0.245 0.000 2.392 155 Q HA 0.143 4.480 4.340 -0.005 0.000 0.203 155 Q C 0.416 176.341 176.000 -0.125 0.000 0.917 155 Q CA 0.468 56.188 55.803 -0.138 0.000 0.939 155 Q CB 0.465 29.164 28.738 -0.065 0.000 1.063 155 Q HN 0.519 nan 8.270 nan 0.000 0.516 156 S N 0.451 116.056 115.700 -0.157 0.000 3.631 156 S HA -0.191 4.276 4.470 -0.005 0.000 0.366 156 S C -0.437 174.048 174.600 -0.193 0.000 0.993 156 S CA 0.460 58.520 58.200 -0.234 0.000 1.167 156 S CB -0.663 62.277 63.200 -0.433 0.000 0.909 156 S HN 0.375 nan 8.310 nan 0.000 0.478 157 R N 0.069 120.478 120.500 -0.152 0.000 2.869 157 R HA 0.565 4.902 4.340 -0.005 0.000 0.263 157 R C -2.915 173.360 176.300 -0.040 0.000 1.066 157 R CA -2.440 53.559 56.100 -0.168 0.000 0.960 157 R CB 0.989 31.079 30.300 -0.349 0.000 1.221 157 R HN 0.128 nan 8.270 nan 0.000 0.474 158 P HA 0.052 nan 4.420 nan 0.000 0.272 158 P C -0.950 176.430 177.300 0.133 0.000 1.230 158 P CA -0.301 62.861 63.100 0.104 0.000 0.788 158 P CB 0.666 32.463 31.700 0.161 0.000 0.949 159 V N -1.108 118.880 119.914 0.124 0.000 3.130 159 V HA 0.627 4.744 4.120 -0.005 0.000 0.310 159 V C -1.637 174.548 176.094 0.151 0.000 1.158 159 V CA -0.999 61.376 62.300 0.126 0.000 1.029 159 V CB 2.105 33.976 31.823 0.079 0.000 1.057 159 V HN 0.393 nan 8.190 nan 0.000 0.436 160 Y N 2.101 122.378 120.300 -0.038 0.000 2.350 160 Y HA 0.808 5.353 4.550 -0.007 0.000 0.338 160 Y C -1.123 174.701 175.900 -0.127 0.000 0.961 160 Y CA -1.316 56.705 58.100 -0.132 0.000 1.100 160 Y CB 1.720 40.060 38.460 -0.200 0.000 1.179 160 Y HN 0.780 nan 8.280 nan 0.000 0.454 161 L N 6.192 126.984 121.223 -0.719 0.000 2.349 161 L HA 0.466 4.803 4.340 -0.005 0.000 0.278 161 L C -0.739 175.618 176.870 -0.856 0.000 0.996 161 L CA -0.669 53.814 54.840 -0.595 0.000 0.825 161 L CB 1.996 43.859 42.059 -0.327 0.000 1.243 161 L HN 0.622 nan 8.230 nan 0.000 0.412 162 E N 4.424 124.242 120.200 -0.636 0.000 2.145 162 E HA 0.506 4.853 4.350 -0.005 0.000 0.270 162 E C -1.188 175.269 176.600 -0.238 0.000 0.906 162 E CA -0.535 55.600 56.400 -0.441 0.000 0.761 162 E CB 1.390 31.001 29.700 -0.149 0.000 1.116 162 E HN 0.478 nan 8.360 nan 0.000 0.408 163 I N 6.747 127.178 120.570 -0.231 0.000 2.382 163 I HA 0.303 4.470 4.170 -0.005 0.000 0.285 163 I C -2.280 173.779 176.117 -0.097 0.000 1.007 163 I CA -2.526 58.682 61.300 -0.153 0.000 1.142 163 I CB 1.601 39.490 38.000 -0.186 0.000 1.289 163 I HN 0.337 nan 8.210 nan 0.000 0.453 164 P HA 0.056 nan 4.420 nan 0.000 0.268 164 P C 0.432 177.737 177.300 0.008 0.000 1.205 164 P CA -0.322 62.742 63.100 -0.059 0.000 0.771 164 P CB 0.504 32.173 31.700 -0.052 0.000 0.858 165 R N 3.014 123.549 120.500 0.058 0.000 2.285 165 R HA -0.105 4.233 4.340 -0.005 0.000 0.213 165 R C 0.837 177.180 176.300 0.072 0.000 1.068 165 R CA 1.287 57.445 56.100 0.098 0.000 1.004 165 R CB -0.746 29.640 30.300 0.143 0.000 0.873 165 R HN 0.390 nan 8.270 nan 0.000 0.467 166 N N 0.189 118.918 118.700 0.048 0.000 2.322 166 N HA -0.005 4.732 4.740 -0.005 0.000 0.194 166 N C 0.747 176.277 175.510 0.033 0.000 1.126 166 N CA 0.204 53.276 53.050 0.037 0.000 0.845 166 N CB 0.395 38.897 38.487 0.025 0.000 0.976 166 N HN 0.252 nan 8.380 nan 0.000 0.475 167 M N -0.285 119.338 119.600 0.037 0.000 2.331 167 M HA 0.172 4.649 4.480 -0.005 0.000 0.266 167 M C 1.619 177.954 176.300 0.058 0.000 1.055 167 M CA 0.047 55.367 55.300 0.035 0.000 1.048 167 M CB 0.088 32.698 32.600 0.016 0.000 1.460 167 M HN -0.105 nan 8.290 nan 0.000 0.519 168 V N 2.089 122.055 119.914 0.087 0.000 2.250 168 V HA -0.295 3.823 4.120 -0.005 0.000 0.250 168 V C 0.879 177.026 176.094 0.087 0.000 1.060 168 V CA 2.014 64.395 62.300 0.134 0.000 1.030 168 V CB -0.824 31.098 31.823 0.165 0.000 0.643 168 V HN 0.539 nan 8.190 nan 0.000 0.445 169 N N 0.053 118.789 118.700 0.059 0.000 2.451 169 N HA 0.463 5.200 4.740 -0.005 0.000 0.264 169 N C -0.271 175.260 175.510 0.035 0.000 1.167 169 N CA 0.221 53.294 53.050 0.038 0.000 0.898 169 N CB 0.463 38.967 38.487 0.028 0.000 1.176 169 N HN 0.483 nan 8.380 nan 0.000 0.507 170 A N 0.462 123.306 122.820 0.039 0.000 2.290 170 A HA 0.233 4.550 4.320 -0.005 0.000 0.310 170 A C 0.173 177.781 177.584 0.040 0.000 1.202 170 A CA -0.549 51.510 52.037 0.036 0.000 0.837 170 A CB 0.472 19.491 19.000 0.031 0.000 1.139 170 A HN 0.350 nan 8.150 nan 0.000 0.509 171 E N 1.106 121.338 120.200 0.053 0.000 2.417 171 E HA 0.336 4.683 4.350 -0.005 0.000 0.261 171 E C -0.206 176.432 176.600 0.064 0.000 1.000 171 E CA 0.130 56.580 56.400 0.083 0.000 0.919 171 E CB 0.356 30.134 29.700 0.129 0.000 0.955 171 E HN 0.699 nan 8.360 nan 0.000 0.455 172 V N 0.535 120.455 119.914 0.010 0.000 3.202 172 V HA 0.496 4.613 4.120 -0.005 0.000 0.306 172 V C -0.548 175.410 176.094 -0.225 0.000 1.283 172 V CA -1.083 61.162 62.300 -0.092 0.000 1.065 172 V CB 1.716 33.510 31.823 -0.050 0.000 1.079 172 V HN 0.682 nan 8.190 nan 0.000 0.448 173 E N 2.164 122.188 120.200 -0.292 0.000 2.342 173 E HA 0.447 4.795 4.350 -0.005 0.000 0.257 173 E C -2.458 174.069 176.600 -0.122 0.000 1.150 173 E CA -1.759 54.469 56.400 -0.286 0.000 0.926 173 E CB 0.863 30.408 29.700 -0.258 0.000 1.074 173 E HN 0.752 nan 8.360 nan 0.000 0.449 174 P HA 0.026 nan 4.420 nan 0.000 0.274 174 P C -0.541 176.741 177.300 -0.030 0.000 1.237 174 P CA -0.198 62.879 63.100 -0.038 0.000 0.793 174 P CB 0.673 32.360 31.700 -0.022 0.000 0.977 175 V N 1.881 121.786 119.914 -0.016 0.000 2.614 175 V HA 0.355 4.472 4.120 -0.005 0.000 0.291 175 V C 1.435 177.528 176.094 -0.001 0.000 1.049 175 V CA 0.377 62.673 62.300 -0.007 0.000 1.038 175 V CB 0.473 32.297 31.823 0.002 0.000 0.980 175 V HN 0.844 nan 8.190 nan 0.000 0.481 176 G N 3.179 111.980 108.800 0.003 0.000 2.509 176 G HA2 0.288 4.245 3.960 -0.005 0.000 0.269 176 G HA3 0.288 4.245 3.960 -0.005 0.000 0.269 176 G C -0.364 174.546 174.900 0.018 0.000 1.416 176 G CA -0.610 44.495 45.100 0.009 0.000 1.052 176 G HN 0.655 nan 8.290 nan 0.000 0.542 177 D N 0.448 120.862 120.400 0.024 0.000 2.358 177 D HA 0.179 4.816 4.640 -0.005 0.000 0.244 177 D C -0.102 176.227 176.300 0.049 0.000 1.163 177 D CA -0.005 54.015 54.000 0.034 0.000 0.945 177 D CB 0.618 41.439 40.800 0.035 0.000 1.152 177 D HN 0.203 nan 8.370 nan 0.000 0.451 178 D N 0.599 121.038 120.400 0.065 0.000 2.368 178 D HA 0.176 4.813 4.640 -0.005 0.000 0.240 178 D C -1.938 174.436 176.300 0.123 0.000 1.169 178 D CA -0.704 53.356 54.000 0.101 0.000 0.906 178 D CB -0.282 40.589 40.800 0.118 0.000 1.187 178 D HN 0.031 nan 8.370 nan 0.000 0.435 179 P HA 0.228 nan 4.420 nan 0.000 0.272 179 P C -1.004 176.423 177.300 0.212 0.000 1.230 179 P CA -0.271 62.901 63.100 0.120 0.000 0.788 179 P CB 0.536 32.272 31.700 0.060 0.000 0.949 180 A N 1.438 124.346 122.820 0.146 0.000 2.301 180 A HA 0.399 4.716 4.320 -0.005 0.000 0.298 180 A C -1.159 176.561 177.584 0.226 0.000 1.185 180 A CA -0.442 51.717 52.037 0.203 0.000 0.830 180 A CB -0.061 19.006 19.000 0.111 0.000 1.112 180 A HN 0.492 nan 8.150 nan 0.000 0.508 181 W N 4.124 125.426 121.300 0.003 0.000 2.175 181 W HA 0.374 5.033 4.660 -0.001 0.000 0.350 181 W C -1.864 174.653 176.519 -0.003 0.000 0.877 181 W CA -2.416 54.929 57.345 0.001 0.000 1.544 181 W CB -0.108 29.351 29.460 -0.002 0.000 1.585 181 W HN 0.525 nan 8.180 nan 0.000 0.347 182 P HA 0.091 nan 4.420 nan 0.000 0.267 182 P C -0.351 177.005 177.300 0.093 0.000 1.209 182 P CA 0.197 63.356 63.100 0.099 0.000 0.763 182 P CB 1.633 33.367 31.700 0.057 0.000 0.816 183 V N 3.728 123.685 119.914 0.073 0.000 2.481 183 V HA 0.092 4.209 4.120 -0.005 0.000 0.286 183 V C 0.781 176.900 176.094 0.042 0.000 1.042 183 V CA -0.441 61.893 62.300 0.057 0.000 0.928 183 V CB 1.331 33.175 31.823 0.035 0.000 0.986 183 V HN 0.611 nan 8.190 nan 0.000 0.462 184 D N 3.718 124.144 120.400 0.044 0.000 2.342 184 D HA 0.074 4.712 4.640 -0.005 0.000 0.260 184 D C 1.151 177.470 176.300 0.031 0.000 1.278 184 D CA -0.212 53.810 54.000 0.038 0.000 0.910 184 D CB 0.881 41.709 40.800 0.046 0.000 1.079 184 D HN 0.332 nan 8.370 nan 0.000 0.496 185 R N 2.617 123.130 120.500 0.022 0.000 2.105 185 R HA -0.114 4.223 4.340 -0.005 0.000 0.239 185 R C 1.279 177.588 176.300 0.014 0.000 1.135 185 R CA 1.218 57.325 56.100 0.013 0.000 0.967 185 R CB -0.054 30.253 30.300 0.010 0.000 0.861 185 R HN 0.540 nan 8.270 nan 0.000 0.442 186 D N -0.506 119.907 120.400 0.023 0.000 2.117 186 D HA -0.107 4.530 4.640 -0.005 0.000 0.198 186 D C 1.655 177.982 176.300 0.046 0.000 0.982 186 D CA 1.534 55.551 54.000 0.029 0.000 0.828 186 D CB -0.129 40.689 40.800 0.030 0.000 0.967 186 D HN 0.282 nan 8.370 nan 0.000 0.464 187 A N 1.204 124.062 122.820 0.064 0.000 1.873 187 A HA -0.136 4.182 4.320 -0.005 0.000 0.215 187 A C 2.184 179.795 177.584 0.045 0.000 1.186 187 A CA 0.836 52.944 52.037 0.119 0.000 0.616 187 A CB -0.742 18.344 19.000 0.143 0.000 0.823 187 A HN 0.194 nan 8.150 nan 0.000 0.442 188 L N -0.016 121.209 121.223 0.004 0.000 2.013 188 L HA -0.154 4.183 4.340 -0.005 0.000 0.212 188 L C 2.682 179.503 176.870 -0.081 0.000 1.073 188 L CA 2.322 57.129 54.840 -0.055 0.000 0.753 188 L CB -0.891 41.149 42.059 -0.031 0.000 0.890 188 L HN 0.370 nan 8.230 nan 0.000 0.432 189 A N -0.673 122.124 122.820 -0.038 0.000 1.877 189 A HA -0.116 4.201 4.320 -0.005 0.000 0.216 189 A C 2.458 180.014 177.584 -0.048 0.000 1.186 189 A CA 2.007 54.022 52.037 -0.035 0.000 0.620 189 A CB -1.235 17.759 19.000 -0.010 0.000 0.822 189 A HN 0.582 nan 8.150 nan 0.000 0.443 190 A N -1.135 121.674 122.820 -0.018 0.000 1.902 190 A HA -0.217 4.100 4.320 -0.005 0.000 0.217 190 A C 2.423 179.929 177.584 -0.130 0.000 1.181 190 A CA 1.757 53.805 52.037 0.018 0.000 0.623 190 A CB -1.444 17.656 19.000 0.167 0.000 0.818 190 A HN 0.788 nan 8.150 nan 0.000 0.443 191 C N -0.752 118.289 119.300 -0.432 0.000 2.436 191 C HA 0.047 4.504 4.460 -0.005 0.000 0.277 191 C C 3.198 177.947 174.990 -0.402 0.000 1.241 191 C CA 1.408 59.890 59.018 -0.892 0.000 1.721 191 C CB -1.339 25.809 27.740 -0.985 0.000 2.043 191 C HN 0.685 nan 8.230 nan 0.000 0.472 192 A N 0.257 122.934 122.820 -0.238 0.000 1.908 192 A HA -0.183 4.134 4.320 -0.005 0.000 0.218 192 A C 1.870 179.393 177.584 -0.101 0.000 1.181 192 A CA 2.307 54.263 52.037 -0.135 0.000 0.627 192 A CB -0.793 18.159 19.000 -0.082 0.000 0.818 192 A HN 0.669 nan 8.150 nan 0.000 0.445 193 D N -0.746 119.605 120.400 -0.082 0.000 2.117 193 D HA -0.161 4.476 4.640 -0.005 0.000 0.197 193 D C 1.904 178.179 176.300 -0.043 0.000 0.987 193 D CA 1.572 55.544 54.000 -0.045 0.000 0.829 193 D CB -0.330 40.458 40.800 -0.021 0.000 0.961 193 D HN 0.760 nan 8.370 nan 0.000 0.460 194 E N 0.414 120.586 120.200 -0.047 0.000 2.072 194 E HA -0.118 4.229 4.350 -0.005 0.000 0.191 194 E C 2.097 178.653 176.600 -0.073 0.000 0.985 194 E CA 0.616 57.009 56.400 -0.013 0.000 0.801 194 E CB 0.186 29.940 29.700 0.090 0.000 0.750 194 E HN -0.025 nan 8.360 nan 0.000 0.452 195 V N 1.320 121.146 119.914 -0.147 0.000 2.295 195 V HA -0.253 3.865 4.120 -0.005 0.000 0.246 195 V C 2.458 178.444 176.094 -0.180 0.000 1.049 195 V CA 1.590 63.743 62.300 -0.245 0.000 1.024 195 V CB -0.518 31.104 31.823 -0.335 0.000 0.648 195 V HN 0.353 nan 8.190 nan 0.000 0.447 196 L N 0.755 121.916 121.223 -0.102 0.000 2.083 196 L HA -0.086 4.251 4.340 -0.005 0.000 0.209 196 L C 2.422 179.267 176.870 -0.042 0.000 1.083 196 L CA 2.328 57.138 54.840 -0.050 0.000 0.752 196 L CB -0.930 41.113 42.059 -0.026 0.000 0.899 196 L HN 0.231 nan 8.230 nan 0.000 0.433 197 A N -0.626 122.169 122.820 -0.041 0.000 1.902 197 A HA -0.079 4.238 4.320 -0.005 0.000 0.217 197 A C 2.448 180.012 177.584 -0.033 0.000 1.181 197 A CA 1.714 53.735 52.037 -0.026 0.000 0.623 197 A CB -1.111 17.881 19.000 -0.013 0.000 0.818 197 A HN 0.552 nan 8.150 nan 0.000 0.443 198 A N -0.875 121.911 122.820 -0.058 0.000 1.902 198 A HA -0.106 4.211 4.320 -0.005 0.000 0.217 198 A C 2.167 179.713 177.584 -0.063 0.000 1.181 198 A CA 1.942 53.938 52.037 -0.069 0.000 0.623 198 A CB -0.466 18.464 19.000 -0.115 0.000 0.818 198 A HN 0.418 nan 8.150 nan 0.000 0.443 199 M N -0.626 118.932 119.600 -0.069 0.000 2.159 199 M HA -0.072 4.405 4.480 -0.005 0.000 0.263 199 M C 2.137 178.432 176.300 -0.008 0.000 1.063 199 M CA 1.420 56.702 55.300 -0.029 0.000 1.110 199 M CB -1.150 31.450 32.600 0.000 0.000 1.374 199 M HN 0.398 nan 8.290 nan 0.000 0.411 200 R N -0.030 120.464 120.500 -0.011 0.000 2.148 200 R HA -0.049 4.288 4.340 -0.005 0.000 0.223 200 R C 2.283 178.581 176.300 -0.004 0.000 1.088 200 R CA 1.564 57.663 56.100 -0.003 0.000 0.985 200 R CB -0.226 30.073 30.300 -0.003 0.000 0.880 200 R HN 0.478 nan 8.270 nan 0.000 0.451 201 S N 0.060 115.754 115.700 -0.009 0.000 2.496 201 S HA 0.170 4.637 4.470 -0.005 0.000 0.224 201 S C 0.955 175.551 174.600 -0.006 0.000 0.996 201 S CA -0.048 58.148 58.200 -0.006 0.000 0.927 201 S CB 0.270 63.466 63.200 -0.006 0.000 0.774 201 S HN 0.230 nan 8.310 nan 0.000 0.524 202 A N 2.226 125.040 122.820 -0.009 0.000 2.425 202 A HA 0.484 4.801 4.320 -0.005 0.000 0.249 202 A C 1.468 179.052 177.584 -0.000 0.000 1.084 202 A CA 0.175 52.208 52.037 -0.007 0.000 0.781 202 A CB 0.188 19.182 19.000 -0.009 0.000 1.019 202 A HN 0.498 nan 8.150 nan 0.000 0.490 203 T N -1.469 113.085 114.554 0.000 0.000 3.035 203 T HA 0.115 4.462 4.350 -0.005 0.000 0.259 203 T C 0.844 175.547 174.700 0.005 0.000 1.078 203 T CA 1.117 63.218 62.100 0.003 0.000 1.132 203 T CB 0.032 68.901 68.868 0.003 0.000 0.900 203 T HN 0.733 nan 8.240 nan 0.000 0.480 204 S N 3.299 119.001 115.700 0.004 0.000 2.235 204 S HA 0.411 4.878 4.470 -0.005 0.000 0.152 204 S C -2.892 171.713 174.600 0.008 0.000 1.649 204 S CA -1.432 56.772 58.200 0.006 0.000 1.277 204 S CB 0.606 63.809 63.200 0.005 0.000 1.299 204 S HN 0.269 nan 8.310 nan 0.000 0.388 205 P HA 0.305 nan 4.420 nan 0.000 0.272 205 P C -0.837 176.484 177.300 0.034 0.000 1.223 205 P CA -0.285 62.832 63.100 0.027 0.000 0.784 205 P CB 1.245 32.967 31.700 0.036 0.000 0.923 206 V N 3.416 123.359 119.914 0.049 0.000 2.668 206 V HA 0.182 4.299 4.120 -0.005 0.000 0.304 206 V C -0.169 175.967 176.094 0.070 0.000 1.071 206 V CA -0.730 61.594 62.300 0.041 0.000 0.894 206 V CB 1.913 33.744 31.823 0.014 0.000 1.008 206 V HN 0.395 nan 8.190 nan 0.000 0.425 207 L N 5.651 126.899 121.223 0.043 0.000 2.261 207 L HA 0.610 4.947 4.340 -0.005 0.000 0.289 207 L C -0.222 176.631 176.870 -0.030 0.000 1.059 207 L CA 0.209 55.049 54.840 -0.001 0.000 0.816 207 L CB 0.940 42.971 42.059 -0.047 0.000 1.191 207 L HN 0.801 nan 8.230 nan 0.000 0.431 208 M N 6.859 126.444 119.600 -0.025 0.000 2.101 208 M HA 0.502 4.979 4.480 -0.005 0.000 0.340 208 M C -0.999 175.284 176.300 -0.029 0.000 1.057 208 M CA -0.815 54.483 55.300 -0.003 0.000 0.984 208 M CB 1.051 33.677 32.600 0.044 0.000 1.560 208 M HN 0.476 nan 8.290 nan 0.000 0.435 209 V N 2.778 122.674 119.914 -0.030 0.000 2.617 209 V HA 0.779 4.896 4.120 -0.005 0.000 0.298 209 V C -0.536 175.560 176.094 0.004 0.000 1.048 209 V CA -0.622 61.658 62.300 -0.034 0.000 0.964 209 V CB 1.110 32.904 31.823 -0.049 0.000 1.004 209 V HN 1.081 nan 8.190 nan 0.000 0.466 210 C N 2.834 122.147 119.300 0.023 0.000 3.321 210 C HA 0.652 5.109 4.460 -0.005 0.000 0.363 210 C C 1.892 176.913 174.990 0.052 0.000 1.705 210 C CA 0.377 59.418 59.018 0.038 0.000 1.298 210 C CB 1.365 29.144 27.740 0.065 0.000 2.086 210 C HN 1.317 nan 8.230 nan 0.000 0.438 211 V N 0.859 120.811 119.914 0.064 0.000 2.252 211 V HA -0.261 3.857 4.120 -0.005 0.000 0.255 211 V C 1.890 178.030 176.094 0.077 0.000 1.071 211 V CA 2.853 65.192 62.300 0.065 0.000 1.050 211 V CB -1.406 30.470 31.823 0.089 0.000 0.654 211 V HN 0.931 nan 8.190 nan 0.000 0.448 212 E N 0.335 120.631 120.200 0.160 0.000 2.219 212 E HA -0.158 4.190 4.350 -0.005 0.000 0.198 212 E C 2.281 178.989 176.600 0.179 0.000 0.998 212 E CA 1.567 58.087 56.400 0.199 0.000 0.818 212 E CB -0.402 29.484 29.700 0.311 0.000 0.741 212 E HN 0.624 nan 8.360 nan 0.000 0.477 213 V N 1.177 121.151 119.914 0.099 0.000 2.332 213 V HA -0.298 3.820 4.120 -0.005 0.000 0.248 213 V C 2.404 178.517 176.094 0.032 0.000 1.055 213 V CA 2.202 64.535 62.300 0.054 0.000 1.038 213 V CB -0.444 31.382 31.823 0.004 0.000 0.651 213 V HN 0.159 nan 8.190 nan 0.000 0.450 214 R N 0.073 120.573 120.500 0.000 0.000 2.062 214 R HA -0.049 4.289 4.340 -0.005 0.000 0.226 214 R C 2.416 178.674 176.300 -0.070 0.000 1.125 214 R CA 1.135 57.214 56.100 -0.035 0.000 0.966 214 R CB -0.409 29.864 30.300 -0.045 0.000 0.861 214 R HN 0.259 nan 8.270 nan 0.000 0.433 215 R N -0.205 120.223 120.500 -0.119 0.000 2.113 215 R HA -0.192 4.145 4.340 -0.005 0.000 0.244 215 R C 1.463 177.515 176.300 -0.414 0.000 1.142 215 R CA 1.714 57.634 56.100 -0.300 0.000 0.953 215 R CB -0.934 29.096 30.300 -0.449 0.000 0.860 215 R HN 0.407 nan 8.270 nan 0.000 0.438 216 Y N -0.130 120.136 120.300 -0.057 0.000 2.532 216 Y HA 0.271 4.817 4.550 -0.006 0.000 0.283 216 Y C 1.245 177.112 175.900 -0.054 0.000 1.181 216 Y CA 0.149 58.209 58.100 -0.065 0.000 1.256 216 Y CB -0.101 38.312 38.460 -0.078 0.000 1.112 216 Y HN 0.296 nan 8.280 nan 0.000 0.521 217 G N 1.075 109.888 108.800 0.022 0.000 2.356 217 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.296 217 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.296 217 G C 0.529 175.439 174.900 0.016 0.000 1.022 217 G CA 0.587 45.690 45.100 0.004 0.000 0.961 217 G HN 0.545 nan 8.290 nan 0.000 0.510 218 L N -0.928 120.312 121.223 0.029 0.000 2.628 218 L HA 0.207 4.544 4.340 -0.005 0.000 0.229 218 L C 2.240 179.103 176.870 -0.011 0.000 1.137 218 L CA 0.140 54.987 54.840 0.012 0.000 0.909 218 L CB -0.081 41.990 42.059 0.020 0.000 1.137 218 L HN 0.365 nan 8.230 nan 0.000 0.470 219 E N 1.265 121.455 120.200 -0.017 0.000 2.058 219 E HA -0.242 4.105 4.350 -0.005 0.000 0.194 219 E C 2.339 178.924 176.600 -0.025 0.000 0.997 219 E CA 1.506 57.891 56.400 -0.026 0.000 0.801 219 E CB -0.042 29.638 29.700 -0.033 0.000 0.746 219 E HN 0.558 nan 8.360 nan 0.000 0.450 220 A N 1.432 124.239 122.820 -0.022 0.000 1.898 220 A HA -0.192 4.125 4.320 -0.005 0.000 0.216 220 A C 1.935 179.509 177.584 -0.017 0.000 1.181 220 A CA 1.363 53.389 52.037 -0.019 0.000 0.620 220 A CB -0.226 18.764 19.000 -0.016 0.000 0.819 220 A HN 0.038 nan 8.150 nan 0.000 0.442 221 K N -0.478 119.912 120.400 -0.017 0.000 2.155 221 K HA -0.005 4.312 4.320 -0.005 0.000 0.203 221 K C 1.777 178.362 176.600 -0.025 0.000 1.052 221 K CA 1.172 57.448 56.287 -0.018 0.000 0.948 221 K CB -0.195 32.295 32.500 -0.017 0.000 0.728 221 K HN 0.308 nan 8.250 nan 0.000 0.448 222 V N 1.226 121.119 119.914 -0.034 0.000 2.453 222 V HA -0.187 3.930 4.120 -0.005 0.000 0.247 222 V C 2.286 178.356 176.094 -0.040 0.000 1.048 222 V CA 1.873 64.142 62.300 -0.051 0.000 1.049 222 V CB -0.434 31.349 31.823 -0.067 0.000 0.672 222 V HN 0.314 nan 8.190 nan 0.000 0.457 223 A N 0.143 122.945 122.820 -0.029 0.000 1.933 223 A HA -0.251 4.067 4.320 -0.005 0.000 0.218 223 A C 2.187 179.762 177.584 -0.015 0.000 1.175 223 A CA 2.083 54.108 52.037 -0.021 0.000 0.628 223 A CB -0.439 18.551 19.000 -0.016 0.000 0.814 223 A HN 0.554 nan 8.150 nan 0.000 0.444 224 E N -0.176 120.015 120.200 -0.014 0.000 2.072 224 E HA -0.144 4.203 4.350 -0.005 0.000 0.191 224 E C 1.775 178.372 176.600 -0.006 0.000 0.985 224 E CA 1.189 57.585 56.400 -0.008 0.000 0.801 224 E CB -0.443 29.253 29.700 -0.007 0.000 0.750 224 E HN 0.404 nan 8.360 nan 0.000 0.452 225 L N 0.481 121.697 121.223 -0.010 0.000 2.012 225 L HA -0.082 4.256 4.340 -0.005 0.000 0.210 225 L C 2.222 179.093 176.870 0.002 0.000 1.073 225 L CA 2.475 57.312 54.840 -0.004 0.000 0.748 225 L CB -1.144 40.906 42.059 -0.015 0.000 0.891 225 L HN 0.177 nan 8.230 nan 0.000 0.431 226 A N -0.992 121.822 122.820 -0.009 0.000 1.902 226 A HA -0.288 4.029 4.320 -0.005 0.000 0.217 226 A C 2.284 179.872 177.584 0.005 0.000 1.181 226 A CA 1.800 53.835 52.037 -0.002 0.000 0.623 226 A CB -0.739 18.253 19.000 -0.013 0.000 0.818 226 A HN 0.651 nan 8.150 nan 0.000 0.443 227 Q N -0.129 119.672 119.800 0.002 0.000 2.020 227 Q HA -0.164 4.173 4.340 -0.005 0.000 0.202 227 Q C 2.216 178.220 176.000 0.007 0.000 0.982 227 Q CA 2.043 57.849 55.803 0.004 0.000 0.838 227 Q CB -0.219 28.520 28.738 0.002 0.000 0.899 227 Q HN 0.649 nan 8.270 nan 0.000 0.423 228 R N -0.358 120.147 120.500 0.008 0.000 2.096 228 R HA -0.065 4.272 4.340 -0.005 0.000 0.235 228 R C 2.329 178.638 176.300 0.015 0.000 1.127 228 R CA 1.372 57.478 56.100 0.010 0.000 0.968 228 R CB -0.302 30.004 30.300 0.010 0.000 0.861 228 R HN 0.325 nan 8.270 nan 0.000 0.440 229 L N -0.455 120.781 121.223 0.021 0.000 2.313 229 L HA 0.059 4.396 4.340 -0.005 0.000 0.214 229 L C 1.100 177.984 176.870 0.023 0.000 1.119 229 L CA 0.691 55.548 54.840 0.028 0.000 0.809 229 L CB -0.185 41.901 42.059 0.046 0.000 0.933 229 L HN 0.474 nan 8.230 nan 0.000 0.449 230 G N 1.013 109.823 108.800 0.018 0.000 2.225 230 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.264 230 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.264 230 G C 0.002 174.912 174.900 0.017 0.000 1.060 230 G CA 0.330 45.438 45.100 0.015 0.000 0.833 230 G HN 0.327 nan 8.290 nan 0.000 0.498 231 V N -2.710 117.216 119.914 0.020 0.000 2.769 231 V HA 0.960 5.077 4.120 -0.005 0.000 0.312 231 V C -1.848 174.256 176.094 0.016 0.000 1.061 231 V CA -2.328 59.986 62.300 0.023 0.000 0.931 231 V CB 2.265 34.111 31.823 0.038 0.000 1.010 231 V HN 0.196 nan 8.190 nan 0.000 0.433 232 P HA 0.274 nan 4.420 nan 0.000 0.271 232 P C -0.679 176.625 177.300 0.008 0.000 1.218 232 P CA -0.003 63.104 63.100 0.011 0.000 0.780 232 P CB 1.464 33.172 31.700 0.013 0.000 0.901 233 V N 3.460 123.376 119.914 0.003 0.000 2.459 233 V HA 0.358 4.475 4.120 -0.005 0.000 0.295 233 V C 0.385 176.481 176.094 0.004 0.000 1.029 233 V CA -0.546 61.751 62.300 -0.005 0.000 0.874 233 V CB 1.964 33.779 31.823 -0.013 0.000 0.985 233 V HN 0.330 nan 8.190 nan 0.000 0.438 234 V N 3.307 123.226 119.914 0.007 0.000 2.876 234 V HA 0.640 4.757 4.120 -0.005 0.000 0.312 234 V C 0.161 176.270 176.094 0.025 0.000 1.085 234 V CA -0.516 61.799 62.300 0.025 0.000 0.945 234 V CB 2.625 34.474 31.823 0.043 0.000 1.017 234 V HN 0.996 nan 8.190 nan 0.000 0.428 235 T N -0.147 114.427 114.554 0.034 0.000 2.944 235 T HA 0.639 4.986 4.350 -0.005 0.000 0.284 235 T C 0.246 174.979 174.700 0.055 0.000 1.010 235 T CA -0.056 62.059 62.100 0.024 0.000 1.025 235 T CB 1.669 70.536 68.868 -0.001 0.000 1.079 235 T HN 0.905 nan 8.240 nan 0.000 0.516 236 T N -0.238 114.335 114.554 0.032 0.000 2.770 236 T HA 0.330 4.677 4.350 -0.005 0.000 0.281 236 T C 0.863 175.592 174.700 0.049 0.000 0.981 236 T CA -0.704 61.416 62.100 0.034 0.000 0.955 236 T CB 0.214 69.063 68.868 -0.032 0.000 1.060 236 T HN 0.548 nan 8.240 nan 0.000 0.531 237 F N 0.776 120.667 119.950 -0.098 0.000 2.102 237 F HA -0.016 4.508 4.527 -0.005 0.000 0.298 237 F C 2.379 178.114 175.800 -0.108 0.000 1.105 237 F CA 1.840 59.777 58.000 -0.104 0.000 1.239 237 F CB -0.572 38.371 39.000 -0.094 0.000 0.991 237 F HN 0.537 nan 8.300 nan 0.000 0.474 238 M N 0.679 120.233 119.600 -0.078 0.000 2.159 238 M HA 0.058 4.536 4.480 -0.005 0.000 0.263 238 M C 2.005 178.207 176.300 -0.165 0.000 1.063 238 M CA 2.097 57.305 55.300 -0.152 0.000 1.110 238 M CB -1.236 31.362 32.600 -0.004 0.000 1.374 238 M HN 0.112 nan 8.290 nan 0.000 0.411 239 G N -0.491 108.251 108.800 -0.098 0.000 3.026 239 G HA2 -0.026 3.931 3.960 -0.005 0.000 0.208 239 G HA3 -0.026 3.931 3.960 -0.005 0.000 0.208 239 G C 0.461 175.305 174.900 -0.093 0.000 1.169 239 G CA -0.298 44.758 45.100 -0.074 0.000 0.788 239 G HN 0.429 nan 8.290 nan 0.000 0.533 240 R N 0.458 120.864 120.500 -0.156 0.000 2.504 240 R HA 0.363 4.700 4.340 -0.005 0.000 0.291 240 R C 1.354 177.590 176.300 -0.107 0.000 0.974 240 R CA 1.163 57.180 56.100 -0.138 0.000 1.077 240 R CB -0.096 30.063 30.300 -0.235 0.000 0.926 240 R HN 0.412 nan 8.270 nan 0.000 0.407 241 G N 3.058 111.825 108.800 -0.055 0.000 2.238 241 G HA2 -0.231 3.726 3.960 -0.005 0.000 0.217 241 G HA3 -0.231 3.726 3.960 -0.005 0.000 0.217 241 G C -0.027 174.852 174.900 -0.035 0.000 0.996 241 G CA -0.046 45.030 45.100 -0.041 0.000 0.632 241 G HN 0.516 nan 8.290 nan 0.000 0.503 242 L N 0.895 122.096 121.223 -0.037 0.000 2.467 242 L HA 0.452 4.789 4.340 -0.005 0.000 0.270 242 L C 1.517 178.373 176.870 -0.023 0.000 1.205 242 L CA -0.357 54.463 54.840 -0.033 0.000 0.828 242 L CB 0.546 42.587 42.059 -0.031 0.000 1.101 242 L HN 0.210 nan 8.230 nan 0.000 0.479 243 L N 1.857 123.064 121.223 -0.027 0.000 3.737 243 L HA -0.299 4.038 4.340 -0.005 0.000 0.418 243 L C 1.407 178.270 176.870 -0.012 0.000 1.216 243 L CA 1.180 56.008 54.840 -0.020 0.000 0.915 243 L CB -1.892 40.158 42.059 -0.016 0.000 1.834 243 L HN 0.817 nan 8.230 nan 0.000 0.943 244 A N -1.293 121.516 122.820 -0.017 0.000 2.019 244 A HA -0.107 4.210 4.320 -0.005 0.000 0.219 244 A C 1.502 179.078 177.584 -0.012 0.000 1.164 244 A CA 1.813 53.844 52.037 -0.010 0.000 0.644 244 A CB -0.161 18.826 19.000 -0.021 0.000 0.805 244 A HN 0.566 nan 8.150 nan 0.000 0.449 245 D N -0.247 120.140 120.400 -0.021 0.000 2.525 245 D HA 0.422 5.060 4.640 -0.005 0.000 0.229 245 D C 0.155 176.447 176.300 -0.014 0.000 1.202 245 D CA 0.344 54.332 54.000 -0.019 0.000 0.828 245 D CB 0.343 41.126 40.800 -0.029 0.000 1.008 245 D HN 0.387 nan 8.370 nan 0.000 0.493 246 A N 1.220 124.034 122.820 -0.009 0.000 2.293 246 A HA 0.485 4.802 4.320 -0.005 0.000 0.302 246 A C -1.316 176.267 177.584 -0.001 0.000 1.119 246 A CA -1.045 50.987 52.037 -0.007 0.000 0.823 246 A CB 0.917 19.912 19.000 -0.008 0.000 1.097 246 A HN -0.125 nan 8.150 nan 0.000 0.491 247 P HA -0.075 nan 4.420 nan 0.000 0.214 247 P C 0.366 177.670 177.300 0.006 0.000 1.163 247 P CA 1.447 64.548 63.100 0.002 0.000 0.889 247 P CB 0.108 31.809 31.700 0.001 0.000 0.790 248 T N 1.982 116.540 114.554 0.006 0.000 2.821 248 T HA 0.313 4.660 4.350 -0.005 0.000 0.307 248 T C -2.317 172.389 174.700 0.011 0.000 1.034 248 T CA -1.349 60.757 62.100 0.010 0.000 0.953 248 T CB 1.079 69.951 68.868 0.007 0.000 0.968 248 T HN 0.045 nan 8.240 nan 0.000 0.462 249 P HA 0.345 nan 4.420 nan 0.000 0.274 249 P C -2.758 174.553 177.300 0.019 0.000 1.256 249 P CA -1.510 61.605 63.100 0.024 0.000 0.795 249 P CB -0.234 31.495 31.700 0.048 0.000 1.038 250 P HA 0.129 nan 4.420 nan 0.000 0.270 250 P C 1.319 178.623 177.300 0.008 0.000 1.223 250 P CA -0.086 63.020 63.100 0.009 0.000 0.785 250 P CB 0.356 32.061 31.700 0.008 0.000 0.923 251 L N 0.088 121.314 121.223 0.005 0.000 2.083 251 L HA 0.015 4.352 4.340 -0.005 0.000 0.209 251 L C 1.243 178.104 176.870 -0.016 0.000 1.083 251 L CA 1.933 56.772 54.840 -0.001 0.000 0.752 251 L CB -0.575 41.488 42.059 0.006 0.000 0.899 251 L HN 0.685 nan 8.230 nan 0.000 0.433 252 G N -2.124 106.673 108.800 -0.004 0.000 2.325 252 G HA2 0.195 4.153 3.960 -0.005 0.000 0.295 252 G HA3 0.195 4.153 3.960 -0.005 0.000 0.295 252 G C -1.377 173.535 174.900 0.020 0.000 1.274 252 G CA -0.542 44.549 45.100 -0.014 0.000 0.857 252 G HN -0.224 nan 8.290 nan 0.000 0.499 253 T N 0.582 115.152 114.554 0.027 0.000 2.792 253 T HA 0.482 4.829 4.350 -0.005 0.000 0.280 253 T C -1.115 173.651 174.700 0.110 0.000 0.990 253 T CA -0.104 62.032 62.100 0.061 0.000 0.960 253 T CB 1.208 70.095 68.868 0.032 0.000 0.939 253 T HN 0.527 nan 8.240 nan 0.000 0.439 254 Y N 4.312 124.622 120.300 0.017 0.000 2.402 254 Y HA 0.439 4.986 4.550 -0.005 0.000 0.333 254 Y C 0.326 176.248 175.900 0.038 0.000 1.076 254 Y CA -0.688 57.422 58.100 0.017 0.000 1.299 254 Y CB 0.171 38.630 38.460 -0.003 0.000 1.197 254 Y HN 0.628 nan 8.280 nan 0.000 0.517 255 I N 6.081 126.278 120.570 -0.621 0.000 3.554 255 I HA 0.249 4.417 4.170 -0.005 0.000 0.321 255 I C 1.105 176.866 176.117 -0.593 0.000 1.484 255 I CA 0.035 61.053 61.300 -0.469 0.000 0.975 255 I CB -0.002 37.951 38.000 -0.078 0.000 1.528 255 I HN 0.947 nan 8.210 nan 0.000 0.609 256 G N 2.530 110.647 108.800 -1.139 0.000 2.672 256 G HA2 -0.395 3.562 3.960 -0.005 0.000 0.324 256 G HA3 -0.395 3.562 3.960 -0.005 0.000 0.324 256 G C 1.058 175.822 174.900 -0.227 0.000 1.286 256 G CA 1.453 46.230 45.100 -0.539 0.000 1.004 256 G HN 0.544 nan 8.290 nan 0.000 0.548 257 V N -1.725 118.099 119.914 -0.149 0.000 2.867 257 V HA 0.322 4.440 4.120 -0.005 0.000 0.260 257 V C 2.694 178.734 176.094 -0.089 0.000 1.099 257 V CA 2.652 64.893 62.300 -0.099 0.000 1.122 257 V CB -0.987 30.776 31.823 -0.100 0.000 0.708 257 V HN 2.013 nan 8.190 nan 0.000 0.490 258 A N 0.024 122.787 122.820 -0.096 0.000 2.308 258 A HA 0.669 4.987 4.320 -0.005 0.000 0.217 258 A C 1.269 178.843 177.584 -0.017 0.000 1.216 258 A CA 0.572 52.588 52.037 -0.035 0.000 0.864 258 A CB -0.402 18.624 19.000 0.043 0.000 0.902 258 A HN 0.717 nan 8.150 nan 0.000 0.499 259 G N -0.794 107.968 108.800 -0.062 0.000 2.887 259 G HA2 0.426 4.383 3.960 -0.005 0.000 0.277 259 G HA3 0.426 4.383 3.960 -0.005 0.000 0.277 259 G C -1.100 173.786 174.900 -0.023 0.000 1.346 259 G CA -0.382 44.695 45.100 -0.038 0.000 1.058 259 G HN 0.179 nan 8.290 nan 0.000 0.535 260 D N -0.539 119.855 120.400 -0.010 0.000 2.487 260 D HA 0.332 4.969 4.640 -0.005 0.000 0.243 260 D C 1.485 177.790 176.300 0.010 0.000 1.154 260 D CA 0.628 54.626 54.000 -0.004 0.000 0.876 260 D CB 1.185 41.980 40.800 -0.008 0.000 1.161 260 D HN 0.402 nan 8.370 nan 0.000 0.478 261 A N 4.217 127.042 122.820 0.008 0.000 1.978 261 A HA -0.198 4.119 4.320 -0.005 0.000 0.220 261 A C 1.974 179.579 177.584 0.034 0.000 1.170 261 A CA 1.098 53.146 52.037 0.018 0.000 0.636 261 A CB -0.417 18.589 19.000 0.010 0.000 0.810 261 A HN 0.686 nan 8.150 nan 0.000 0.448 262 E N 0.005 120.221 120.200 0.026 0.000 2.047 262 E HA -0.130 4.217 4.350 -0.005 0.000 0.191 262 E C 2.064 178.694 176.600 0.051 0.000 0.987 262 E CA 0.856 57.274 56.400 0.030 0.000 0.799 262 E CB -0.371 29.339 29.700 0.016 0.000 0.752 262 E HN 0.555 nan 8.360 nan 0.000 0.449 263 I N 1.161 121.767 120.570 0.060 0.000 2.179 263 I HA -0.212 3.955 4.170 -0.005 0.000 0.242 263 I C 2.235 178.459 176.117 0.178 0.000 1.088 263 I CA 1.266 62.625 61.300 0.100 0.000 1.357 263 I CB -1.498 36.565 38.000 0.104 0.000 1.051 263 I HN 0.084 nan 8.210 nan 0.000 0.409 264 T N 0.486 115.158 114.554 0.196 0.000 2.720 264 T HA -0.224 4.123 4.350 -0.005 0.000 0.268 264 T C 2.086 176.907 174.700 0.201 0.000 1.037 264 T CA 1.565 63.849 62.100 0.308 0.000 1.144 264 T CB -0.252 68.717 68.868 0.168 0.000 0.864 264 T HN 0.274 nan 8.240 nan 0.000 0.444 265 R N 0.299 120.866 120.500 0.111 0.000 2.083 265 R HA -0.081 4.256 4.340 -0.005 0.000 0.237 265 R C 2.429 178.760 176.300 0.051 0.000 1.137 265 R CA 1.344 57.485 56.100 0.069 0.000 0.951 265 R CB -0.556 29.771 30.300 0.045 0.000 0.851 265 R HN 0.295 nan 8.270 nan 0.000 0.434 266 L N 0.545 121.797 121.223 0.049 0.000 2.042 266 L HA -0.167 4.170 4.340 -0.005 0.000 0.210 266 L C 2.090 178.961 176.870 0.002 0.000 1.076 266 L CA 1.628 56.484 54.840 0.026 0.000 0.749 266 L CB -0.378 41.698 42.059 0.029 0.000 0.893 266 L HN 0.049 nan 8.230 nan 0.000 0.432 267 V N -0.304 119.603 119.914 -0.013 0.000 2.270 267 V HA -0.260 3.858 4.120 -0.005 0.000 0.245 267 V C 2.365 178.386 176.094 -0.122 0.000 1.043 267 V CA 2.132 64.350 62.300 -0.136 0.000 1.014 267 V CB -0.640 30.928 31.823 -0.425 0.000 0.645 267 V HN 0.505 nan 8.190 nan 0.000 0.447 268 E N -0.485 119.686 120.200 -0.048 0.000 2.427 268 E HA -0.121 4.227 4.350 -0.005 0.000 0.196 268 E C 1.856 178.454 176.600 -0.004 0.000 1.028 268 E CA 0.573 56.966 56.400 -0.011 0.000 0.864 268 E CB 0.042 29.780 29.700 0.064 0.000 0.813 268 E HN 0.679 nan 8.360 nan 0.000 0.514 269 E N 0.476 120.674 120.200 -0.002 0.000 2.460 269 E HA 0.044 4.392 4.350 -0.005 0.000 0.200 269 E C 0.445 177.040 176.600 -0.008 0.000 1.011 269 E CA -0.187 56.213 56.400 0.000 0.000 0.912 269 E CB 0.570 30.275 29.700 0.008 0.000 0.953 269 E HN -0.087 nan 8.360 nan 0.000 0.494 270 S N 2.327 118.017 115.700 -0.017 0.000 2.546 270 S HA -0.056 4.411 4.470 -0.005 0.000 0.290 270 S C 0.575 175.163 174.600 -0.020 0.000 1.290 270 S CA -0.152 58.038 58.200 -0.017 0.000 1.069 270 S CB 0.424 63.611 63.200 -0.021 0.000 0.846 270 S HN 0.214 nan 8.310 nan 0.000 0.495 271 D N 2.890 123.281 120.400 -0.015 0.000 2.368 271 D HA 0.189 4.826 4.640 -0.005 0.000 0.218 271 D C 0.569 176.854 176.300 -0.025 0.000 1.112 271 D CA 0.017 54.005 54.000 -0.019 0.000 0.834 271 D CB -0.144 40.649 40.800 -0.012 0.000 0.953 271 D HN 0.519 nan 8.370 nan 0.000 0.505 272 G N 0.856 109.645 108.800 -0.019 0.000 4.613 272 G HA2 0.306 4.263 3.960 -0.005 0.000 0.232 272 G HA3 0.306 4.263 3.960 -0.005 0.000 0.232 272 G C -1.066 173.841 174.900 0.013 0.000 0.947 272 G CA -0.577 44.513 45.100 -0.017 0.000 0.715 272 G HN 0.150 nan 8.290 nan 0.000 0.518 273 L N 1.814 123.037 121.223 0.000 0.000 2.342 273 L HA 0.559 4.896 4.340 -0.005 0.000 0.285 273 L C -0.849 176.090 176.870 0.116 0.000 1.095 273 L CA -1.151 53.709 54.840 0.034 0.000 0.843 273 L CB 0.029 42.074 42.059 -0.022 0.000 1.201 273 L HN 0.188 nan 8.230 nan 0.000 0.445 274 F N 6.771 126.709 119.950 -0.021 0.000 2.335 274 F HA 0.356 4.880 4.527 -0.005 0.000 0.365 274 F C -0.491 175.327 175.800 0.030 0.000 1.122 274 F CA -1.439 56.560 58.000 -0.001 0.000 1.151 274 F CB 0.378 39.376 39.000 -0.003 0.000 1.282 274 F HN 0.264 nan 8.300 nan 0.000 0.513 275 L N 7.540 129.024 121.223 0.435 0.000 2.356 275 L HA 0.175 4.512 4.340 -0.005 0.000 0.282 275 L C -0.332 176.693 176.870 0.259 0.000 1.132 275 L CA -0.609 54.400 54.840 0.280 0.000 0.923 275 L CB 0.355 42.571 42.059 0.262 0.000 1.278 275 L HN 0.394 nan 8.230 nan 0.000 0.436 276 L N 4.055 125.261 121.223 -0.029 0.000 2.312 276 L HA 0.401 4.738 4.340 -0.005 0.000 0.287 276 L C 1.095 177.978 176.870 0.020 0.000 1.091 276 L CA 0.498 55.244 54.840 -0.156 0.000 0.846 276 L CB 0.549 42.319 42.059 -0.482 0.000 1.219 276 L HN 0.740 nan 8.230 nan 0.000 0.439 277 G N 3.495 112.371 108.800 0.127 0.000 2.198 277 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.260 277 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.260 277 G C 0.319 175.415 174.900 0.327 0.000 1.025 277 G CA 0.181 45.438 45.100 0.262 0.000 0.769 277 G HN 1.092 nan 8.290 nan 0.000 0.507 278 A N -0.244 122.720 122.820 0.241 0.000 2.309 278 A HA 0.756 5.073 4.320 -0.005 0.000 0.298 278 A C 0.558 177.972 177.584 -0.284 0.000 1.165 278 A CA -0.539 51.558 52.037 0.100 0.000 0.821 278 A CB 0.575 19.698 19.000 0.205 0.000 1.102 278 A HN 0.699 nan 8.150 nan 0.000 0.500 279 I N 2.810 123.180 120.570 -0.332 0.000 2.416 279 I HA 0.078 4.245 4.170 -0.005 0.000 0.288 279 I C -0.188 175.780 176.117 -0.249 0.000 1.051 279 I CA 0.022 60.978 61.300 -0.572 0.000 1.375 279 I CB 0.887 38.633 38.000 -0.424 0.000 1.407 279 I HN 0.493 nan 8.210 nan 0.000 0.516 280 L N 7.244 128.290 121.223 -0.295 0.000 2.399 280 L HA 0.183 4.520 4.340 -0.005 0.000 0.257 280 L C 0.548 177.400 176.870 -0.030 0.000 1.236 280 L CA -0.158 54.626 54.840 -0.094 0.000 1.144 280 L CB -0.802 41.081 42.059 -0.292 0.000 1.379 280 L HN 0.665 nan 8.230 nan 0.000 0.414 281 S N -1.928 113.800 115.700 0.046 0.000 2.664 281 S HA 0.310 4.777 4.470 -0.005 0.000 0.304 281 S C 0.771 175.471 174.600 0.166 0.000 1.099 281 S CA -0.734 57.479 58.200 0.021 0.000 1.003 281 S CB 1.915 65.045 63.200 -0.118 0.000 1.092 281 S HN 0.508 nan 8.310 nan 0.000 0.525 282 D N 1.063 121.564 120.400 0.169 0.000 2.178 282 D HA -0.172 4.465 4.640 -0.005 0.000 0.201 282 D C 1.899 178.260 176.300 0.102 0.000 0.980 282 D CA 1.949 56.029 54.000 0.134 0.000 0.842 282 D CB -1.550 39.322 40.800 0.119 0.000 0.948 282 D HN 0.723 nan 8.370 nan 0.000 0.472 283 T N -1.812 112.850 114.554 0.180 0.000 2.788 283 T HA -0.140 4.207 4.350 -0.005 0.000 0.268 283 T C 1.694 176.432 174.700 0.063 0.000 1.044 283 T CA 1.163 63.390 62.100 0.212 0.000 1.139 283 T CB -0.289 68.794 68.868 0.359 0.000 0.867 283 T HN -0.025 nan 8.240 nan 0.000 0.454 284 N N 0.449 119.134 118.700 -0.024 0.000 2.333 284 N HA 0.185 4.922 4.740 -0.005 0.000 0.178 284 N C 0.839 175.956 175.510 -0.654 0.000 1.018 284 N CA 0.803 53.631 53.050 -0.371 0.000 0.882 284 N CB -0.119 37.967 38.487 -0.669 0.000 0.984 284 N HN 0.517 nan 8.380 nan 0.000 0.434 285 F N -0.777 119.230 119.950 0.094 0.000 2.789 285 F HA 0.448 4.972 4.527 -0.005 0.000 0.320 285 F C 1.712 177.532 175.800 0.034 0.000 1.079 285 F CA -0.435 57.626 58.000 0.103 0.000 1.205 285 F CB -0.177 38.852 39.000 0.047 0.000 1.046 285 F HN -0.137 nan 8.300 nan 0.000 0.586 286 A N 0.536 123.419 122.820 0.105 0.000 2.239 286 A HA 0.055 4.372 4.320 -0.005 0.000 0.209 286 A C 1.995 179.522 177.584 -0.095 0.000 1.171 286 A CA 1.495 53.537 52.037 0.009 0.000 0.768 286 A CB -1.051 17.932 19.000 -0.028 0.000 0.790 286 A HN 0.249 nan 8.150 nan 0.000 0.478 287 V N -1.770 118.068 119.914 -0.126 0.000 3.235 287 V HA 0.039 4.156 4.120 -0.005 0.000 0.259 287 V C 1.173 177.196 176.094 -0.118 0.000 1.133 287 V CA 0.429 62.605 62.300 -0.208 0.000 1.128 287 V CB -1.584 30.081 31.823 -0.264 0.000 0.757 287 V HN 0.579 nan 8.190 nan 0.000 0.469 288 S N 0.170 115.885 115.700 0.025 0.000 2.553 288 S HA -0.140 4.327 4.470 -0.005 0.000 0.293 288 S C 1.006 175.642 174.600 0.059 0.000 1.296 288 S CA 0.892 59.182 58.200 0.149 0.000 1.046 288 S CB 0.677 64.032 63.200 0.259 0.000 0.810 288 S HN 0.660 nan 8.310 nan 0.000 0.505 289 Q N 1.888 121.736 119.800 0.081 0.000 2.119 289 Q HA 0.002 4.339 4.340 -0.005 0.000 0.201 289 Q C 0.187 176.206 176.000 0.032 0.000 0.972 289 Q CA 1.028 56.852 55.803 0.035 0.000 0.847 289 Q CB 0.196 28.962 28.738 0.047 0.000 0.903 289 Q HN 0.757 nan 8.270 nan 0.000 0.433 290 R N -0.227 120.306 120.500 0.056 0.000 2.621 290 R HA 0.170 4.507 4.340 -0.005 0.000 0.284 290 R C -1.273 175.057 176.300 0.049 0.000 0.998 290 R CA -0.693 55.430 56.100 0.038 0.000 0.895 290 R CB 1.729 32.047 30.300 0.031 0.000 1.195 290 R HN -0.111 nan 8.270 nan 0.000 0.450 291 K N 2.884 123.303 120.400 0.032 0.000 2.504 291 K HA 0.066 4.383 4.320 -0.005 0.000 0.278 291 K C 0.051 176.663 176.600 0.020 0.000 1.025 291 K CA 0.220 56.526 56.287 0.030 0.000 1.093 291 K CB -0.253 32.255 32.500 0.012 0.000 0.873 291 K HN 0.515 nan 8.250 nan 0.000 0.483 292 I N 2.247 122.829 120.570 0.019 0.000 2.428 292 I HA 0.135 4.302 4.170 -0.005 0.000 0.289 292 I C 0.527 176.601 176.117 -0.071 0.000 1.019 292 I CA -0.450 60.835 61.300 -0.025 0.000 1.351 292 I CB 1.241 39.219 38.000 -0.037 0.000 1.412 292 I HN 0.769 nan 8.210 nan 0.000 0.513 293 D N 6.754 127.112 120.400 -0.071 0.000 2.422 293 D HA 0.160 4.797 4.640 -0.005 0.000 0.227 293 D C 0.982 177.202 176.300 -0.133 0.000 1.190 293 D CA -0.073 53.883 54.000 -0.075 0.000 0.905 293 D CB 0.727 41.506 40.800 -0.035 0.000 1.034 293 D HN 0.417 nan 8.370 nan 0.000 0.507 294 L N 3.052 124.163 121.223 -0.186 0.000 2.349 294 L HA -0.103 4.234 4.340 -0.005 0.000 0.220 294 L C 2.272 179.007 176.870 -0.225 0.000 1.130 294 L CA 0.602 55.281 54.840 -0.269 0.000 0.791 294 L CB -0.169 41.681 42.059 -0.350 0.000 0.918 294 L HN 0.258 nan 8.230 nan 0.000 0.444 295 R N 0.492 120.888 120.500 -0.173 0.000 2.276 295 R HA -0.042 4.295 4.340 -0.005 0.000 0.203 295 R C 1.378 177.440 176.300 -0.395 0.000 1.017 295 R CA 0.621 56.579 56.100 -0.237 0.000 1.010 295 R CB -0.056 30.197 30.300 -0.077 0.000 0.900 295 R HN 0.407 nan 8.270 nan 0.000 0.469 296 K N 0.688 120.935 120.400 -0.256 0.000 2.387 296 K HA 0.038 4.355 4.320 -0.005 0.000 0.198 296 K C 0.635 177.119 176.600 -0.193 0.000 1.022 296 K CA 0.132 56.279 56.287 -0.234 0.000 1.128 296 K CB 0.727 33.156 32.500 -0.119 0.000 0.853 296 K HN 0.148 nan 8.250 nan 0.000 0.523 297 T N -2.208 112.229 114.554 -0.196 0.000 2.910 297 T HA 0.531 4.878 4.350 -0.005 0.000 0.279 297 T C 0.157 174.776 174.700 -0.136 0.000 0.989 297 T CA -0.837 61.179 62.100 -0.141 0.000 0.968 297 T CB 1.254 70.039 68.868 -0.138 0.000 1.135 297 T HN -0.079 nan 8.240 nan 0.000 0.562 298 I N 1.678 122.201 120.570 -0.079 0.000 2.355 298 I HA 0.327 4.494 4.170 -0.005 0.000 0.288 298 I C -0.790 175.406 176.117 0.131 0.000 0.999 298 I CA -0.738 60.492 61.300 -0.116 0.000 1.163 298 I CB 1.088 38.833 38.000 -0.425 0.000 1.316 298 I HN 0.729 nan 8.210 nan 0.000 0.454 299 H N 6.092 125.164 119.070 0.004 0.000 2.708 299 H HA 0.698 5.251 4.556 -0.004 0.000 0.320 299 H C -1.037 174.385 175.328 0.156 0.000 0.991 299 H CA -0.647 55.455 56.048 0.091 0.000 1.243 299 H CB 1.471 31.236 29.762 0.004 0.000 1.446 299 H HN 0.642 nan 8.280 nan 0.000 0.502 300 A N 5.523 128.356 122.820 0.022 0.000 2.273 300 A HA 0.619 4.936 4.320 -0.005 0.000 0.315 300 A C -1.587 175.950 177.584 -0.079 0.000 1.256 300 A CA -0.530 51.499 52.037 -0.012 0.000 0.851 300 A CB -0.239 18.860 19.000 0.164 0.000 1.172 300 A HN 0.568 nan 8.150 nan 0.000 0.508 301 F N 1.658 121.398 119.950 -0.350 0.000 2.708 301 F HA 0.371 4.896 4.527 -0.003 0.000 0.309 301 F C -0.652 175.074 175.800 -0.124 0.000 1.120 301 F CA -0.529 57.325 58.000 -0.244 0.000 0.978 301 F CB 1.404 40.182 39.000 -0.370 0.000 1.283 301 F HN 0.670 nan 8.300 nan 0.000 0.439 302 D N 4.614 124.503 120.400 -0.852 0.000 2.689 302 D HA -0.225 4.412 4.640 -0.005 0.000 0.237 302 D C 0.464 176.628 176.300 -0.226 0.000 1.148 302 D CA 1.555 55.221 54.000 -0.556 0.000 0.656 302 D CB -0.360 40.181 40.800 -0.432 0.000 1.050 302 D HN 0.858 nan 8.370 nan 0.000 0.426 303 R N -3.478 116.895 120.500 -0.211 0.000 3.758 303 R HA -0.204 4.133 4.340 -0.005 0.000 0.299 303 R C 0.228 176.503 176.300 -0.042 0.000 1.182 303 R CA 1.375 57.401 56.100 -0.123 0.000 0.809 303 R CB -1.809 28.453 30.300 -0.063 0.000 1.249 303 R HN 0.414 nan 8.270 nan 0.000 0.497 304 A N -0.389 122.407 122.820 -0.040 0.000 2.532 304 A HA 0.827 5.144 4.320 -0.005 0.000 0.290 304 A C -0.827 176.768 177.584 0.020 0.000 1.143 304 A CA -0.522 51.530 52.037 0.025 0.000 0.728 304 A CB 2.279 21.309 19.000 0.050 0.000 1.317 304 A HN 0.012 nan 8.150 nan 0.000 0.414 305 V N 0.921 120.885 119.914 0.083 0.000 2.610 305 V HA 0.537 4.654 4.120 -0.005 0.000 0.298 305 V C -0.616 175.559 176.094 0.135 0.000 1.067 305 V CA -0.326 62.020 62.300 0.078 0.000 0.894 305 V CB 1.839 33.688 31.823 0.044 0.000 1.015 305 V HN 0.950 nan 8.190 nan 0.000 0.432 306 T N 6.985 121.582 114.554 0.071 0.000 2.807 306 T HA 0.874 5.221 4.350 -0.005 0.000 0.279 306 T C -0.582 174.067 174.700 -0.086 0.000 0.993 306 T CA -0.412 61.700 62.100 0.020 0.000 0.970 306 T CB 1.299 70.198 68.868 0.051 0.000 0.950 306 T HN 0.780 nan 8.240 nan 0.000 0.441 307 L N -0.832 120.235 121.223 -0.261 0.000 2.710 307 L HA 0.783 5.120 4.340 -0.005 0.000 0.260 307 L C 0.366 176.852 176.870 -0.641 0.000 0.993 307 L CA -0.992 53.633 54.840 -0.358 0.000 0.877 307 L CB 1.042 42.947 42.059 -0.257 0.000 1.461 307 L HN 0.746 nan 8.230 nan 0.000 0.413 308 G N 0.629 109.140 108.800 -0.482 0.000 2.341 308 G HA2 -0.315 3.643 3.960 -0.005 0.000 0.292 308 G HA3 -0.315 3.643 3.960 -0.005 0.000 0.292 308 G C 0.102 174.908 174.900 -0.158 0.000 1.021 308 G CA 1.063 45.974 45.100 -0.315 0.000 0.905 308 G HN 1.497 nan 8.290 nan 0.000 0.508 309 Y N -2.697 117.518 120.300 -0.142 0.000 4.668 309 Y HA -0.241 4.306 4.550 -0.005 0.000 0.234 309 Y C 1.158 177.062 175.900 0.006 0.000 1.056 309 Y CA 1.629 59.701 58.100 -0.045 0.000 2.025 309 Y CB -2.647 35.822 38.460 0.014 0.000 1.613 309 Y HN 1.131 nan 8.280 nan 0.000 0.653 310 H N -2.720 116.377 119.070 0.046 0.000 2.946 310 H HA 0.857 5.410 4.556 -0.005 0.000 0.365 310 H C -0.717 174.595 175.328 -0.027 0.000 1.197 310 H CA -0.516 55.529 56.048 -0.006 0.000 1.131 310 H CB 2.222 31.945 29.762 -0.066 0.000 1.849 310 H HN -0.040 nan 8.280 nan 0.000 0.555 311 T N 1.575 116.182 114.554 0.089 0.000 2.863 311 T HA 0.306 4.653 4.350 -0.005 0.000 0.285 311 T C -1.027 173.671 174.700 -0.004 0.000 1.009 311 T CA -0.557 61.581 62.100 0.064 0.000 0.989 311 T CB 0.836 69.746 68.868 0.069 0.000 1.004 311 T HN 0.405 nan 8.240 nan 0.000 0.455 312 Y N 1.724 122.074 120.300 0.083 0.000 2.385 312 Y HA 0.563 5.110 4.550 -0.005 0.000 0.341 312 Y C 0.669 176.593 175.900 0.040 0.000 0.965 312 Y CA -0.777 57.360 58.100 0.063 0.000 1.180 312 Y CB 0.793 39.284 38.460 0.051 0.000 1.139 312 Y HN 0.811 nan 8.280 nan 0.000 0.502 313 A N 2.210 125.118 122.820 0.147 0.000 2.304 313 A HA 0.393 4.710 4.320 -0.005 0.000 0.271 313 A C 0.247 177.895 177.584 0.107 0.000 1.091 313 A CA -0.395 51.706 52.037 0.107 0.000 0.812 313 A CB 0.100 19.144 19.000 0.073 0.000 1.056 313 A HN 0.905 nan 8.150 nan 0.000 0.489 314 D N -0.595 119.858 120.400 0.088 0.000 2.716 314 D HA -0.124 4.513 4.640 -0.005 0.000 0.239 314 D C -0.657 175.679 176.300 0.060 0.000 1.125 314 D CA 0.835 54.888 54.000 0.088 0.000 0.681 314 D CB -1.043 39.815 40.800 0.097 0.000 1.070 314 D HN 0.323 nan 8.370 nan 0.000 0.432 315 I N 0.612 121.199 120.570 0.029 0.000 2.405 315 I HA 0.248 4.415 4.170 -0.005 0.000 0.280 315 I C -2.186 173.884 176.117 -0.078 0.000 1.027 315 I CA -1.991 59.302 61.300 -0.012 0.000 1.161 315 I CB 1.248 39.245 38.000 -0.006 0.000 1.300 315 I HN -0.331 nan 8.210 nan 0.000 0.463 316 P HA 0.083 nan 4.420 nan 0.000 0.271 316 P C 0.981 178.130 177.300 -0.251 0.000 1.216 316 P CA -0.362 62.592 63.100 -0.243 0.000 0.776 316 P CB 1.135 32.690 31.700 -0.241 0.000 0.881 317 L N 4.322 125.325 121.223 -0.366 0.000 2.042 317 L HA -0.196 4.141 4.340 -0.005 0.000 0.210 317 L C 2.108 178.856 176.870 -0.203 0.000 1.076 317 L CA 2.401 57.089 54.840 -0.254 0.000 0.749 317 L CB -1.529 40.367 42.059 -0.270 0.000 0.893 317 L HN 0.428 nan 8.230 nan 0.000 0.432 318 A N -0.722 121.931 122.820 -0.278 0.000 1.933 318 A HA -0.058 4.259 4.320 -0.005 0.000 0.218 318 A C 2.324 179.842 177.584 -0.111 0.000 1.175 318 A CA 1.473 53.416 52.037 -0.157 0.000 0.628 318 A CB -1.497 17.414 19.000 -0.149 0.000 0.814 318 A HN 0.538 nan 8.150 nan 0.000 0.444 319 G N -0.354 108.370 108.800 -0.127 0.000 2.408 319 G HA2 -0.078 3.879 3.960 -0.005 0.000 0.217 319 G HA3 -0.078 3.879 3.960 -0.005 0.000 0.217 319 G C 1.460 176.322 174.900 -0.063 0.000 1.150 319 G CA 1.137 46.188 45.100 -0.082 0.000 0.776 319 G HN 0.513 nan 8.290 nan 0.000 0.542 320 L N 0.786 121.968 121.223 -0.067 0.000 2.109 320 L HA 0.100 4.437 4.340 -0.005 0.000 0.207 320 L C 2.809 179.674 176.870 -0.008 0.000 1.086 320 L CA 1.265 56.084 54.840 -0.036 0.000 0.760 320 L CB -0.441 41.610 42.059 -0.013 0.000 0.910 320 L HN 0.052 nan 8.230 nan 0.000 0.437 321 V N 0.115 120.017 119.914 -0.021 0.000 2.295 321 V HA -0.284 3.833 4.120 -0.005 0.000 0.246 321 V C 2.285 178.372 176.094 -0.011 0.000 1.049 321 V CA 2.049 64.342 62.300 -0.013 0.000 1.024 321 V CB -0.809 30.993 31.823 -0.035 0.000 0.648 321 V HN 0.446 nan 8.190 nan 0.000 0.447 322 D N 0.312 120.699 120.400 -0.022 0.000 2.144 322 D HA -0.115 4.522 4.640 -0.005 0.000 0.199 322 D C 2.205 178.496 176.300 -0.014 0.000 0.984 322 D CA 1.601 55.590 54.000 -0.018 0.000 0.834 322 D CB -0.335 40.452 40.800 -0.022 0.000 0.955 322 D HN 0.444 nan 8.370 nan 0.000 0.465 323 A N 0.571 123.380 122.820 -0.018 0.000 1.902 323 A HA -0.110 4.207 4.320 -0.005 0.000 0.217 323 A C 2.384 179.962 177.584 -0.011 0.000 1.181 323 A CA 0.853 52.878 52.037 -0.019 0.000 0.623 323 A CB -0.698 18.282 19.000 -0.033 0.000 0.818 323 A HN 0.198 nan 8.150 nan 0.000 0.443 324 L N -0.800 120.424 121.223 0.002 0.000 2.027 324 L HA -0.145 4.192 4.340 -0.005 0.000 0.206 324 L C 2.476 179.353 176.870 0.012 0.000 1.074 324 L CA 1.034 55.884 54.840 0.017 0.000 0.745 324 L CB -0.538 41.555 42.059 0.056 0.000 0.898 324 L HN 0.347 nan 8.230 nan 0.000 0.433 325 L N -0.396 120.832 121.223 0.008 0.000 2.265 325 L HA -0.197 4.140 4.340 -0.005 0.000 0.215 325 L C 2.247 179.118 176.870 0.001 0.000 1.117 325 L CA 1.071 55.914 54.840 0.004 0.000 0.782 325 L CB -0.380 41.679 42.059 -0.001 0.000 0.914 325 L HN 0.315 nan 8.230 nan 0.000 0.441 326 E N -0.338 119.861 120.200 -0.002 0.000 2.358 326 E HA -0.085 4.262 4.350 -0.005 0.000 0.195 326 E C 1.698 178.297 176.600 -0.002 0.000 1.010 326 E CA 0.324 56.722 56.400 -0.003 0.000 0.856 326 E CB 0.184 29.881 29.700 -0.006 0.000 0.795 326 E HN 0.417 nan 8.360 nan 0.000 0.504 327 R N 0.151 120.651 120.500 -0.001 0.000 2.362 327 R HA 0.247 4.584 4.340 -0.005 0.000 0.227 327 R C -0.191 176.110 176.300 0.002 0.000 0.905 327 R CA 0.032 56.131 56.100 -0.001 0.000 1.067 327 R CB 0.482 30.780 30.300 -0.004 0.000 1.078 327 R HN -0.005 nan 8.270 nan 0.000 0.516 328 L N 2.276 123.502 121.223 0.004 0.000 2.376 328 L HA 0.466 4.803 4.340 -0.005 0.000 0.275 328 L C -2.324 174.548 176.870 0.005 0.000 0.987 328 L CA -2.311 52.533 54.840 0.006 0.000 0.828 328 L CB 2.219 44.285 42.059 0.011 0.000 1.249 328 L HN -0.170 nan 8.230 nan 0.000 0.409 329 P HA 0.295 nan 4.420 nan 0.000 0.275 329 P C -2.641 174.661 177.300 0.004 0.000 1.228 329 P CA -1.411 61.691 63.100 0.003 0.000 0.786 329 P CB 0.223 31.925 31.700 0.003 0.000 0.927 330 P HA 0.061 nan 4.420 nan 0.000 0.270 330 P C 0.260 177.562 177.300 0.003 0.000 1.221 330 P CA 0.290 63.392 63.100 0.003 0.000 0.788 330 P CB 0.317 32.018 31.700 0.002 0.000 0.904 343 Y N 2.413 122.719 120.300 0.009 0.000 2.336 343 Y HA 0.428 4.975 4.550 -0.005 0.000 0.331 343 Y C -1.452 174.455 175.900 0.011 0.000 1.211 343 Y CA -1.046 57.061 58.100 0.011 0.000 1.346 343 Y CB 0.614 39.079 38.460 0.008 0.000 1.271 343 Y HN 0.499 nan 8.280 nan 0.000 0.538 344 P HA 0.097 nan 4.420 nan 0.000 0.271 344 P C -0.519 176.837 177.300 0.094 0.000 1.220 344 P CA -0.064 63.097 63.100 0.103 0.000 0.768 344 P CB 1.088 32.839 31.700 0.086 0.000 0.848 345 T N -2.347 112.245 114.554 0.062 0.000 2.669 345 T HA 0.648 4.996 4.350 -0.005 0.000 0.283 345 T C 0.397 175.113 174.700 0.026 0.000 1.019 345 T CA -0.303 61.822 62.100 0.041 0.000 1.039 345 T CB 0.934 69.825 68.868 0.037 0.000 1.374 345 T HN 0.576 nan 8.240 nan 0.000 0.523 346 G N 0.516 109.325 108.800 0.014 0.000 2.341 346 G HA2 -0.067 3.890 3.960 -0.005 0.000 0.278 346 G HA3 -0.067 3.890 3.960 -0.005 0.000 0.278 346 G C -0.270 174.634 174.900 0.007 0.000 1.111 346 G CA -0.112 44.993 45.100 0.009 0.000 0.982 346 G HN 1.224 nan 8.290 nan 0.000 0.502 347 L N 0.210 121.435 121.223 0.004 0.000 2.513 347 L HA 0.389 4.727 4.340 -0.005 0.000 0.272 347 L C 0.830 177.700 176.870 -0.001 0.000 1.187 347 L CA 0.436 55.276 54.840 0.001 0.000 0.895 347 L CB 0.449 42.507 42.059 -0.002 0.000 1.147 347 L HN 0.434 nan 8.230 nan 0.000 0.483 348 Q N 5.498 125.298 119.800 -0.001 0.000 2.423 348 Q HA 0.346 4.683 4.340 -0.005 0.000 0.235 348 Q C 0.259 176.257 176.000 -0.004 0.000 1.100 348 Q CA -0.068 55.734 55.803 -0.002 0.000 0.908 348 Q CB 0.710 29.447 28.738 -0.001 0.000 1.312 348 Q HN 0.852 nan 8.270 nan 0.000 0.497 349 A N 3.878 126.695 122.820 -0.004 0.000 3.076 349 A HA 0.068 4.386 4.320 -0.005 0.000 0.269 349 A C -0.232 177.349 177.584 -0.004 0.000 1.916 349 A CA -0.186 51.848 52.037 -0.005 0.000 1.492 349 A CB -0.656 18.341 19.000 -0.005 0.000 1.000 349 A HN 0.695 nan 8.150 nan 0.000 0.615 350 D N -0.553 119.844 120.400 -0.005 0.000 2.658 350 D HA 0.499 5.137 4.640 -0.005 0.000 0.243 350 D C 1.077 177.374 176.300 -0.005 0.000 1.159 350 D CA 0.179 54.177 54.000 -0.004 0.000 1.084 350 D CB -0.028 40.770 40.800 -0.003 0.000 1.227 350 D HN -0.004 nan 8.370 nan 0.000 0.636 351 G N -1.301 107.497 108.800 -0.004 0.000 3.189 351 G HA2 0.072 4.030 3.960 -0.005 0.000 0.225 351 G HA3 0.072 4.030 3.960 -0.005 0.000 0.225 351 G C 0.124 175.021 174.900 -0.005 0.000 1.159 351 G CA -0.237 44.861 45.100 -0.004 0.000 0.763 351 G HN 0.191 nan 8.290 nan 0.000 0.549 352 E N 1.531 121.728 120.200 -0.005 0.000 2.373 352 E HA 0.197 4.544 4.350 -0.005 0.000 0.263 352 E C -2.090 174.506 176.600 -0.008 0.000 1.073 352 E CA -1.765 54.632 56.400 -0.005 0.000 0.894 352 E CB 1.126 30.823 29.700 -0.004 0.000 1.008 352 E HN 0.113 nan 8.360 nan 0.000 0.420 353 P HA 0.107 nan 4.420 nan 0.000 0.271 353 P C -0.055 177.235 177.300 -0.017 0.000 1.244 353 P CA 0.072 63.166 63.100 -0.010 0.000 0.793 353 P CB 0.586 32.283 31.700 -0.005 0.000 0.984 354 I N 0.293 120.847 120.570 -0.027 0.000 2.342 354 I HA 0.426 4.593 4.170 -0.005 0.000 0.291 354 I C 0.748 176.841 176.117 -0.040 0.000 1.010 354 I CA -0.570 60.704 61.300 -0.044 0.000 1.308 354 I CB 1.147 39.102 38.000 -0.074 0.000 1.400 354 I HN 0.336 nan 8.210 nan 0.000 0.488 355 A N 7.580 130.381 122.820 -0.032 0.000 2.322 355 A HA 0.683 5.000 4.320 -0.005 0.000 0.327 355 A C -2.043 175.531 177.584 -0.017 0.000 1.134 355 A CA -1.723 50.308 52.037 -0.011 0.000 0.831 355 A CB 0.881 19.885 19.000 0.007 0.000 1.288 355 A HN 0.484 nan 8.150 nan 0.000 0.472 356 P HA -0.219 nan 4.420 nan 0.000 0.215 356 P C 1.585 178.934 177.300 0.081 0.000 1.163 356 P CA 1.828 64.986 63.100 0.097 0.000 0.894 356 P CB -0.029 31.795 31.700 0.207 0.000 0.791 357 M N -0.393 119.250 119.600 0.072 0.000 2.202 357 M HA -0.163 4.314 4.480 -0.005 0.000 0.262 357 M C 1.217 177.540 176.300 0.038 0.000 1.063 357 M CA 1.742 57.082 55.300 0.065 0.000 1.097 357 M CB -1.291 31.341 32.600 0.054 0.000 1.382 357 M HN -0.173 nan 8.290 nan 0.000 0.413 358 D N -0.220 120.185 120.400 0.008 0.000 2.182 358 D HA -0.139 4.499 4.640 -0.005 0.000 0.201 358 D C 2.024 178.312 176.300 -0.019 0.000 0.986 358 D CA 1.483 55.478 54.000 -0.008 0.000 0.847 358 D CB -0.263 40.522 40.800 -0.025 0.000 0.942 358 D HN 0.460 nan 8.370 nan 0.000 0.467 359 I N 1.040 121.584 120.570 -0.044 0.000 2.315 359 I HA -0.192 3.975 4.170 -0.005 0.000 0.248 359 I C 2.525 178.658 176.117 0.027 0.000 1.117 359 I CA 0.727 61.991 61.300 -0.060 0.000 1.404 359 I CB -0.150 37.726 38.000 -0.207 0.000 1.071 359 I HN -0.092 nan 8.210 nan 0.000 0.419 360 A N 1.003 123.863 122.820 0.067 0.000 1.929 360 A HA -0.146 4.171 4.320 -0.005 0.000 0.216 360 A C 2.393 180.013 177.584 0.060 0.000 1.176 360 A CA 1.132 53.222 52.037 0.089 0.000 0.628 360 A CB -0.451 18.618 19.000 0.116 0.000 0.816 360 A HN 0.280 nan 8.150 nan 0.000 0.444 361 R N -0.309 120.218 120.500 0.046 0.000 2.083 361 R HA -0.110 4.228 4.340 -0.005 0.000 0.237 361 R C 2.513 178.821 176.300 0.015 0.000 1.137 361 R CA 1.289 57.408 56.100 0.032 0.000 0.951 361 R CB -0.542 29.772 30.300 0.024 0.000 0.851 361 R HN 0.500 nan 8.270 nan 0.000 0.434 362 A N 0.791 123.617 122.820 0.010 0.000 1.865 362 A HA -0.151 4.166 4.320 -0.005 0.000 0.217 362 A C 2.404 179.992 177.584 0.006 0.000 1.191 362 A CA 1.679 53.719 52.037 0.005 0.000 0.623 362 A CB -0.744 18.259 19.000 0.005 0.000 0.826 362 A HN 0.136 nan 8.150 nan 0.000 0.444 363 V N 0.979 120.909 119.914 0.027 0.000 2.343 363 V HA -0.261 3.856 4.120 -0.005 0.000 0.247 363 V C 2.273 178.349 176.094 -0.029 0.000 1.051 363 V CA 2.205 64.523 62.300 0.030 0.000 1.036 363 V CB -0.938 30.925 31.823 0.067 0.000 0.654 363 V HN 0.573 nan 8.190 nan 0.000 0.451 364 N N 0.040 118.724 118.700 -0.027 0.000 2.216 364 N HA -0.126 4.612 4.740 -0.005 0.000 0.183 364 N C 1.531 177.000 175.510 -0.068 0.000 1.017 364 N CA 1.339 54.349 53.050 -0.066 0.000 0.861 364 N CB -0.450 38.019 38.487 -0.031 0.000 0.986 364 N HN 0.452 nan 8.380 nan 0.000 0.428 365 D N 0.931 121.304 120.400 -0.044 0.000 2.149 365 D HA -0.100 4.538 4.640 -0.005 0.000 0.198 365 D C 1.974 178.225 176.300 -0.081 0.000 0.990 365 D CA 0.754 54.725 54.000 -0.048 0.000 0.839 365 D CB -0.105 40.676 40.800 -0.032 0.000 0.948 365 D HN 0.257 nan 8.370 nan 0.000 0.460 366 R N 0.262 120.695 120.500 -0.112 0.000 2.081 366 R HA -0.078 4.259 4.340 -0.005 0.000 0.235 366 R C 2.359 178.545 176.300 -0.190 0.000 1.131 366 R CA 0.664 56.656 56.100 -0.181 0.000 0.960 366 R CB -0.343 29.778 30.300 -0.298 0.000 0.856 366 R HN 0.103 nan 8.270 nan 0.000 0.436 367 V N 0.995 120.806 119.914 -0.172 0.000 2.343 367 V HA -0.221 3.896 4.120 -0.005 0.000 0.247 367 V C 2.312 178.336 176.094 -0.116 0.000 1.051 367 V CA 1.549 63.756 62.300 -0.155 0.000 1.036 367 V CB -0.417 31.311 31.823 -0.158 0.000 0.654 367 V HN 0.240 nan 8.190 nan 0.000 0.451 368 R N 0.455 120.896 120.500 -0.097 0.000 2.148 368 R HA 0.038 4.375 4.340 -0.005 0.000 0.227 368 R C 2.039 178.303 176.300 -0.060 0.000 1.103 368 R CA 1.300 57.361 56.100 -0.066 0.000 0.983 368 R CB -1.004 29.268 30.300 -0.045 0.000 0.874 368 R HN 0.525 nan 8.270 nan 0.000 0.451 369 A N -0.601 122.175 122.820 -0.073 0.000 2.251 369 A HA 0.342 4.659 4.320 -0.005 0.000 0.209 369 A C 1.289 178.831 177.584 -0.070 0.000 1.187 369 A CA 0.929 52.927 52.037 -0.065 0.000 0.823 369 A CB 0.090 19.049 19.000 -0.069 0.000 0.846 369 A HN 0.398 nan 8.150 nan 0.000 0.486 370 G N -1.570 107.182 108.800 -0.080 0.000 2.296 370 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.188 370 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.188 370 G C 0.248 175.094 174.900 -0.090 0.000 1.000 370 G CA 0.082 45.138 45.100 -0.073 0.000 0.672 370 G HN 0.577 nan 8.290 nan 0.000 0.483 371 Q N 1.183 120.900 119.800 -0.138 0.000 2.271 371 Q HA 0.362 4.699 4.340 -0.005 0.000 0.273 371 Q C 0.150 176.078 176.000 -0.120 0.000 1.051 371 Q CA -0.067 55.633 55.803 -0.172 0.000 0.901 371 Q CB 0.525 29.056 28.738 -0.345 0.000 1.174 371 Q HN 0.364 nan 8.270 nan 0.000 0.385 372 E N 5.926 126.085 120.200 -0.067 0.000 2.417 372 E HA 0.113 4.460 4.350 -0.005 0.000 0.261 372 E C -2.324 174.261 176.600 -0.024 0.000 1.000 372 E CA -1.312 55.067 56.400 -0.035 0.000 0.919 372 E CB 0.579 30.277 29.700 -0.003 0.000 0.955 372 E HN 0.375 nan 8.360 nan 0.000 0.455 373 P HA 0.003 nan 4.420 nan 0.000 0.267 373 P C -0.822 176.504 177.300 0.044 0.000 1.200 373 P CA 0.287 63.378 63.100 -0.015 0.000 0.772 373 P CB 0.441 32.111 31.700 -0.050 0.000 0.855 374 L N 2.365 123.642 121.223 0.090 0.000 2.344 374 L HA 0.437 4.774 4.340 -0.005 0.000 0.272 374 L C 0.647 177.564 176.870 0.077 0.000 1.035 374 L CA -1.227 53.681 54.840 0.112 0.000 0.807 374 L CB 1.045 43.203 42.059 0.165 0.000 1.237 374 L HN 0.312 nan 8.230 nan 0.000 0.442 375 L N 2.757 124.032 121.223 0.087 0.000 2.426 375 L HA 0.334 4.671 4.340 -0.005 0.000 0.271 375 L C -0.523 176.384 176.870 0.062 0.000 1.169 375 L CA 0.156 55.042 54.840 0.076 0.000 0.836 375 L CB 0.514 42.655 42.059 0.137 0.000 1.112 375 L HN 0.400 nan 8.230 nan 0.000 0.465 376 I N 4.963 125.555 120.570 0.037 0.000 2.412 376 I HA 0.502 4.669 4.170 -0.005 0.000 0.296 376 I C -0.015 176.108 176.117 0.009 0.000 0.987 376 I CA -0.536 60.775 61.300 0.019 0.000 1.180 376 I CB 1.707 39.712 38.000 0.008 0.000 1.340 376 I HN 0.722 nan 8.210 nan 0.000 0.455 377 A N 5.207 128.019 122.820 -0.012 0.000 2.304 377 A HA 0.886 5.203 4.320 -0.005 0.000 0.314 377 A C -0.532 177.027 177.584 -0.041 0.000 1.187 377 A CA -0.428 51.594 52.037 -0.026 0.000 0.810 377 A CB 1.115 20.047 19.000 -0.113 0.000 1.183 377 A HN 0.803 nan 8.150 nan 0.000 0.487 378 A N 2.095 124.915 122.820 0.001 0.000 2.401 378 A HA 0.731 5.049 4.320 -0.005 0.000 0.310 378 A C -0.496 177.090 177.584 0.003 0.000 1.075 378 A CA -0.560 51.443 52.037 -0.058 0.000 0.746 378 A CB 1.110 20.033 19.000 -0.129 0.000 1.277 378 A HN 0.788 nan 8.150 nan 0.000 0.425 379 D N 0.182 120.535 120.400 -0.078 0.000 2.539 379 D HA 0.466 5.104 4.640 -0.005 0.000 0.276 379 D C -0.583 175.651 176.300 -0.110 0.000 1.206 379 D CA -0.307 53.656 54.000 -0.062 0.000 1.081 379 D CB 1.154 41.893 40.800 -0.101 0.000 1.142 379 D HN 0.429 nan 8.370 nan 0.000 0.595 380 M N 0.289 119.836 119.600 -0.088 0.000 2.157 380 M HA 0.471 4.948 4.480 -0.005 0.000 0.354 380 M C -0.216 176.076 176.300 -0.014 0.000 1.170 380 M CA 0.133 55.394 55.300 -0.066 0.000 1.060 380 M CB 0.376 32.950 32.600 -0.044 0.000 1.615 380 M HN 0.468 nan 8.290 nan 0.000 0.460 381 G N 3.517 112.342 108.800 0.042 0.000 2.350 381 G HA2 0.011 3.969 3.960 -0.005 0.000 0.276 381 G HA3 0.011 3.969 3.960 -0.005 0.000 0.276 381 G C -0.545 174.446 174.900 0.152 0.000 1.313 381 G CA -0.251 44.907 45.100 0.096 0.000 0.903 381 G HN 0.492 nan 8.290 nan 0.000 0.490 382 D N -0.296 120.161 120.400 0.095 0.000 2.310 382 D HA -0.075 4.562 4.640 -0.005 0.000 0.212 382 D C 2.573 178.813 176.300 -0.100 0.000 0.965 382 D CA 1.850 55.924 54.000 0.124 0.000 0.879 382 D CB -0.439 40.445 40.800 0.140 0.000 0.921 382 D HN 0.669 nan 8.370 nan 0.000 0.510 383 C N -0.572 118.441 119.300 -0.477 0.000 2.429 383 C HA -0.063 4.394 4.460 -0.005 0.000 0.277 383 C C 2.553 177.286 174.990 -0.428 0.000 1.262 383 C CA 0.217 58.647 59.018 -0.979 0.000 1.733 383 C CB -1.438 25.709 27.740 -0.988 0.000 2.010 383 C HN 0.302 nan 8.230 nan 0.000 0.483 384 L N 0.430 121.479 121.223 -0.291 0.000 2.027 384 L HA 0.144 4.481 4.340 -0.005 0.000 0.206 384 L C 2.304 178.975 176.870 -0.330 0.000 1.074 384 L CA 1.855 56.492 54.840 -0.340 0.000 0.745 384 L CB -1.132 40.646 42.059 -0.470 0.000 0.898 384 L HN 0.279 nan 8.230 nan 0.000 0.433 385 F N -0.434 119.471 119.950 -0.075 0.000 2.293 385 F HA -0.133 4.391 4.527 -0.005 0.000 0.300 385 F C 2.309 178.115 175.800 0.011 0.000 1.086 385 F CA 1.567 59.556 58.000 -0.017 0.000 1.375 385 F CB -1.120 37.848 39.000 -0.053 0.000 1.045 385 F HN 0.070 nan 8.300 nan 0.000 0.516 386 T N -0.608 114.035 114.554 0.147 0.000 2.851 386 T HA -0.022 4.325 4.350 -0.005 0.000 0.262 386 T C 2.332 177.102 174.700 0.116 0.000 1.043 386 T CA 0.992 63.196 62.100 0.173 0.000 1.140 386 T CB -0.522 68.533 68.868 0.312 0.000 0.872 386 T HN 0.251 nan 8.240 nan 0.000 0.446 387 A N 2.115 124.954 122.820 0.033 0.000 2.024 387 A HA -0.084 4.234 4.320 -0.005 0.000 0.220 387 A C 2.213 179.803 177.584 0.010 0.000 1.164 387 A CA 1.158 53.201 52.037 0.010 0.000 0.643 387 A CB -0.673 18.284 19.000 -0.072 0.000 0.806 387 A HN 0.301 nan 8.150 nan 0.000 0.451 388 M N -0.038 119.556 119.600 -0.010 0.000 2.267 388 M HA -0.120 4.357 4.480 -0.005 0.000 0.263 388 M C 0.396 176.740 176.300 0.075 0.000 1.063 388 M CA 1.205 56.508 55.300 0.005 0.000 1.090 388 M CB -0.978 31.646 32.600 0.040 0.000 1.392 388 M HN 0.311 nan 8.290 nan 0.000 0.422 389 D N -0.291 120.176 120.400 0.112 0.000 2.388 389 D HA 0.237 4.875 4.640 -0.005 0.000 0.221 389 D C 0.156 176.615 176.300 0.266 0.000 1.133 389 D CA 0.134 54.235 54.000 0.168 0.000 0.831 389 D CB 0.394 41.274 40.800 0.133 0.000 0.962 389 D HN 0.311 nan 8.370 nan 0.000 0.502 390 M N 0.617 120.338 119.600 0.203 0.000 2.363 390 M HA 0.352 4.829 4.480 -0.005 0.000 0.343 390 M C 0.199 176.512 176.300 0.021 0.000 1.165 390 M CA -0.662 54.709 55.300 0.118 0.000 1.046 390 M CB 2.477 35.120 32.600 0.072 0.000 1.648 390 M HN -0.282 nan 8.290 nan 0.000 0.452 391 I N 2.650 123.056 120.570 -0.273 0.000 2.496 391 I HA 0.069 4.237 4.170 -0.005 0.000 0.285 391 I C -0.347 175.662 176.117 -0.180 0.000 1.080 391 I CA 0.213 61.203 61.300 -0.515 0.000 1.404 391 I CB 0.349 37.980 38.000 -0.615 0.000 1.403 391 I HN 0.702 nan 8.210 nan 0.000 0.539 392 D N 4.418 124.753 120.400 -0.109 0.000 2.579 392 D HA 0.572 5.209 4.640 -0.005 0.000 0.257 392 D C -0.609 175.674 176.300 -0.028 0.000 1.176 392 D CA -0.835 53.142 54.000 -0.038 0.000 0.914 392 D CB 1.616 42.412 40.800 -0.007 0.000 1.431 392 D HN 0.408 nan 8.370 nan 0.000 0.454 393 A N 0.115 122.930 122.820 -0.008 0.000 2.842 393 A HA 0.745 5.062 4.320 -0.005 0.000 0.298 393 A C 0.811 178.382 177.584 -0.022 0.000 1.293 393 A CA 0.308 52.338 52.037 -0.011 0.000 0.959 393 A CB -1.140 17.865 19.000 0.008 0.000 1.119 393 A HN 1.447 nan 8.150 nan 0.000 0.564 394 G N -0.883 107.905 108.800 -0.020 0.000 2.497 394 G HA2 0.314 4.271 3.960 -0.005 0.000 0.686 394 G HA3 0.314 4.271 3.960 -0.005 0.000 0.686 394 G C -1.198 173.692 174.900 -0.017 0.000 1.288 394 G CA -0.301 44.780 45.100 -0.031 0.000 0.899 394 G HN 1.428 nan 8.290 nan 0.000 0.608 395 L N 0.696 121.903 121.223 -0.027 0.000 2.565 395 L HA 0.843 5.181 4.340 -0.005 0.000 0.261 395 L C -0.198 176.657 176.870 -0.026 0.000 0.932 395 L CA -1.057 53.767 54.840 -0.027 0.000 0.878 395 L CB 1.845 43.868 42.059 -0.060 0.000 1.333 395 L HN 1.105 nan 8.230 nan 0.000 0.409 396 M N 4.145 123.762 119.600 0.028 0.000 2.311 396 M HA 0.994 5.471 4.480 -0.005 0.000 0.325 396 M C -0.849 175.535 176.300 0.140 0.000 1.061 396 M CA -0.355 54.996 55.300 0.085 0.000 0.957 396 M CB 1.910 34.628 32.600 0.197 0.000 1.646 396 M HN 0.643 nan 8.290 nan 0.000 0.434 397 A N 2.954 125.726 122.820 -0.080 0.000 2.599 397 A HA 0.886 5.204 4.320 -0.005 0.000 0.290 397 A C -2.888 174.328 177.584 -0.613 0.000 1.101 397 A CA -1.057 50.815 52.037 -0.275 0.000 0.674 397 A CB 1.418 20.261 19.000 -0.262 0.000 1.277 397 A HN 0.681 nan 8.150 nan 0.000 0.419 398 P HA 0.187 nan 4.420 nan 0.000 0.209 398 P C 0.790 177.965 177.300 -0.209 0.000 1.843 398 P CA 0.346 63.146 63.100 -0.500 0.000 0.985 398 P CB -0.070 31.345 31.700 -0.476 0.000 1.904 399 G N -0.086 108.599 108.800 -0.192 0.000 2.708 399 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.210 399 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.210 399 G C 0.752 175.795 174.900 0.238 0.000 1.141 399 G CA 0.450 45.521 45.100 -0.049 0.000 0.788 399 G HN 0.349 nan 8.290 nan 0.000 0.531 400 Y N -1.692 118.645 120.300 0.061 0.000 2.921 400 Y HA 0.241 4.788 4.550 -0.005 0.000 0.246 400 Y C 1.959 177.942 175.900 0.139 0.000 1.030 400 Y CA -0.391 57.783 58.100 0.124 0.000 1.338 400 Y CB -0.447 38.084 38.460 0.118 0.000 1.493 400 Y HN 0.033 nan 8.280 nan 0.000 0.452 401 Y N 2.007 122.075 120.300 -0.386 0.000 2.274 401 Y HA 0.158 4.705 4.550 -0.004 0.000 0.290 401 Y C 1.830 177.608 175.900 -0.203 0.000 1.145 401 Y CA 2.126 59.970 58.100 -0.428 0.000 1.203 401 Y CB -0.595 37.698 38.460 -0.277 0.000 0.984 401 Y HN 0.351 nan 8.280 nan 0.000 0.533 402 A N -0.262 122.502 122.820 -0.094 0.000 2.832 402 A HA -0.180 4.137 4.320 -0.005 0.000 0.280 402 A C 0.903 178.395 177.584 -0.153 0.000 1.464 402 A CA 0.706 52.679 52.037 -0.106 0.000 0.804 402 A CB -2.230 16.737 19.000 -0.055 0.000 1.020 402 A HN 0.856 nan 8.150 nan 0.000 0.563 403 G N -0.747 108.011 108.800 -0.070 0.000 2.339 403 G HA2 0.536 4.493 3.960 -0.005 0.000 0.287 403 G HA3 0.536 4.493 3.960 -0.005 0.000 0.287 403 G C 0.130 175.045 174.900 0.024 0.000 1.163 403 G CA -0.218 44.888 45.100 0.010 0.000 0.872 403 G HN 0.531 nan 8.290 nan 0.000 0.464 404 M N 1.321 120.921 119.600 -0.000 0.000 2.198 404 M HA 0.401 4.879 4.480 -0.005 0.000 0.315 404 M C 1.502 177.810 176.300 0.014 0.000 1.134 404 M CA 1.513 56.804 55.300 -0.015 0.000 1.171 404 M CB 1.009 33.598 32.600 -0.019 0.000 1.413 404 M HN 0.911 nan 8.290 nan 0.000 0.467 405 G N 0.509 109.272 108.800 -0.062 0.000 2.194 405 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.236 405 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.236 405 G C 0.483 175.130 174.900 -0.422 0.000 0.987 405 G CA 0.382 45.444 45.100 -0.063 0.000 0.635 405 G HN 0.741 nan 8.290 nan 0.000 0.520 406 F N 2.363 121.762 119.950 -0.918 0.000 2.186 406 F HA 0.236 4.760 4.527 -0.005 0.000 0.299 406 F C 2.381 177.825 175.800 -0.593 0.000 1.090 406 F CA 2.310 59.555 58.000 -1.257 0.000 1.307 406 F CB -0.510 37.968 39.000 -0.871 0.000 1.019 406 F HN 0.235 nan 8.300 nan 0.000 0.489 407 G N 0.749 109.354 108.800 -0.324 0.000 2.777 407 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.217 407 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.217 407 G C 1.717 176.399 174.900 -0.362 0.000 1.295 407 G CA 2.073 46.998 45.100 -0.290 0.000 0.800 407 G HN 0.305 nan 8.290 nan 0.000 0.637 408 V N 2.406 122.137 119.914 -0.305 0.000 2.255 408 V HA -0.127 3.990 4.120 -0.005 0.000 0.247 408 V C 0.442 176.350 176.094 -0.310 0.000 1.051 408 V CA 2.483 64.608 62.300 -0.292 0.000 1.018 408 V CB -1.267 30.350 31.823 -0.343 0.000 0.641 408 V HN 0.317 nan 8.190 nan 0.000 0.445 409 P HA -0.151 nan 4.420 nan 0.000 0.216 409 P C 1.675 178.749 177.300 -0.377 0.000 1.150 409 P CA 1.987 64.934 63.100 -0.255 0.000 0.837 409 P CB -0.141 31.512 31.700 -0.078 0.000 0.786 410 A N -0.146 122.311 122.820 -0.605 0.000 1.877 410 A HA -0.078 4.239 4.320 -0.005 0.000 0.216 410 A C 2.512 179.852 177.584 -0.406 0.000 1.186 410 A CA 2.072 53.687 52.037 -0.704 0.000 0.620 410 A CB -1.917 16.256 19.000 -1.379 0.000 0.822 410 A HN 0.260 nan 8.150 nan 0.000 0.443 411 G N 0.117 108.713 108.800 -0.339 0.000 2.476 411 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.218 411 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.218 411 G C 1.544 176.328 174.900 -0.194 0.000 1.164 411 G CA 1.234 46.205 45.100 -0.215 0.000 0.768 411 G HN 0.480 nan 8.290 nan 0.000 0.560 412 I N 1.175 121.620 120.570 -0.208 0.000 2.179 412 I HA -0.110 4.057 4.170 -0.005 0.000 0.242 412 I C 3.131 179.155 176.117 -0.155 0.000 1.088 412 I CA 1.106 62.308 61.300 -0.164 0.000 1.357 412 I CB -0.592 37.315 38.000 -0.155 0.000 1.051 412 I HN 0.262 nan 8.210 nan 0.000 0.409 413 G N 0.427 109.077 108.800 -0.251 0.000 2.440 413 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.218 413 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.218 413 G C 1.838 176.663 174.900 -0.126 0.000 1.154 413 G CA 0.910 45.832 45.100 -0.296 0.000 0.767 413 G HN 0.506 nan 8.290 nan 0.000 0.552 414 A N 0.213 122.918 122.820 -0.191 0.000 1.873 414 A HA -0.061 4.257 4.320 -0.005 0.000 0.215 414 A C 2.284 179.621 177.584 -0.410 0.000 1.186 414 A CA 1.993 53.857 52.037 -0.288 0.000 0.616 414 A CB -0.505 18.387 19.000 -0.180 0.000 0.823 414 A HN 0.451 nan 8.150 nan 0.000 0.442 415 Q N -0.962 118.688 119.800 -0.249 0.000 2.224 415 Q HA -0.158 4.179 4.340 -0.005 0.000 0.203 415 Q C 1.861 177.765 176.000 -0.160 0.000 0.970 415 Q CA 1.635 57.315 55.803 -0.204 0.000 0.865 415 Q CB -0.427 28.236 28.738 -0.125 0.000 0.922 415 Q HN 0.676 nan 8.270 nan 0.000 0.445 416 C N -0.603 118.631 119.300 -0.110 0.000 2.432 416 C HA -0.046 4.412 4.460 -0.005 0.000 0.280 416 C C 2.074 177.047 174.990 -0.028 0.000 1.353 416 C CA 0.893 59.864 59.018 -0.078 0.000 1.766 416 C CB -0.535 27.185 27.740 -0.033 0.000 1.924 416 C HN 0.635 nan 8.230 nan 0.000 0.509 417 V N -0.970 118.894 119.914 -0.083 0.000 3.276 417 V HA 0.235 4.353 4.120 -0.005 0.000 0.319 417 V C 1.362 177.348 176.094 -0.181 0.000 1.427 417 V CA 0.954 63.211 62.300 -0.073 0.000 1.102 417 V CB -0.670 31.157 31.823 0.007 0.000 1.020 417 V HN 0.424 nan 8.190 nan 0.000 0.456 418 S N 0.419 115.930 115.700 -0.314 0.000 2.671 418 S HA 0.308 4.775 4.470 -0.005 0.000 0.220 418 S C 1.551 176.142 174.600 -0.016 0.000 0.951 418 S CA 0.485 58.521 58.200 -0.272 0.000 0.932 418 S CB -0.671 62.314 63.200 -0.358 0.000 0.777 418 S HN 1.884 nan 8.310 nan 0.000 0.508 419 G N 0.745 109.539 108.800 -0.010 0.000 2.395 419 G HA2 0.090 4.047 3.960 -0.005 0.000 0.292 419 G HA3 0.090 4.047 3.960 -0.005 0.000 0.292 419 G C 1.078 175.991 174.900 0.022 0.000 0.953 419 G CA 0.325 45.437 45.100 0.020 0.000 1.207 419 G HN 1.786 nan 8.290 nan 0.000 0.503 420 G N -0.849 107.954 108.800 0.004 0.000 2.336 420 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.233 420 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.233 420 G C 0.635 175.546 174.900 0.018 0.000 1.053 420 G CA 0.759 45.866 45.100 0.012 0.000 0.625 420 G HN 1.030 nan 8.290 nan 0.000 0.511 421 K N 1.246 121.666 120.400 0.034 0.000 2.401 421 K HA 0.387 4.704 4.320 -0.005 0.000 0.278 421 K C 0.758 177.375 176.600 0.028 0.000 1.018 421 K CA -0.246 56.075 56.287 0.055 0.000 0.981 421 K CB 0.733 33.299 32.500 0.110 0.000 0.933 421 K HN 0.315 nan 8.250 nan 0.000 0.477 422 R N 2.222 122.745 120.500 0.038 0.000 2.490 422 R HA 0.259 4.597 4.340 -0.005 0.000 0.278 422 R C -0.265 176.044 176.300 0.016 0.000 1.069 422 R CA -0.438 55.666 56.100 0.007 0.000 1.080 422 R CB 0.570 30.868 30.300 -0.004 0.000 1.030 422 R HN 0.420 nan 8.270 nan 0.000 0.491 423 I N 4.290 124.846 120.570 -0.022 0.000 2.474 423 I HA 0.254 4.421 4.170 -0.005 0.000 0.294 423 I C -0.583 175.512 176.117 -0.037 0.000 1.005 423 I CA -0.967 60.326 61.300 -0.012 0.000 1.113 423 I CB 1.408 39.383 38.000 -0.042 0.000 1.289 423 I HN 0.480 nan 8.210 nan 0.000 0.436 424 L N 5.912 127.129 121.223 -0.011 0.000 2.295 424 L HA 0.616 4.954 4.340 -0.005 0.000 0.285 424 L C -0.237 176.622 176.870 -0.018 0.000 1.035 424 L CA 0.476 55.305 54.840 -0.019 0.000 0.806 424 L CB 1.477 43.559 42.059 0.038 0.000 1.214 424 L HN 0.628 nan 8.230 nan 0.000 0.426 425 T N 4.898 119.434 114.554 -0.030 0.000 2.824 425 T HA 0.625 4.972 4.350 -0.005 0.000 0.282 425 T C -0.784 173.911 174.700 -0.009 0.000 0.993 425 T CA -0.464 61.610 62.100 -0.044 0.000 0.967 425 T CB 1.506 70.325 68.868 -0.083 0.000 0.960 425 T HN 0.565 nan 8.240 nan 0.000 0.441 426 V N 1.180 121.078 119.914 -0.026 0.000 2.495 426 V HA 0.985 5.103 4.120 -0.005 0.000 0.298 426 V C -0.405 175.607 176.094 -0.137 0.000 1.031 426 V CA -0.848 61.442 62.300 -0.017 0.000 0.871 426 V CB 1.361 33.153 31.823 -0.052 0.000 0.988 426 V HN 0.717 nan 8.190 nan 0.000 0.432 427 V N 3.221 123.061 119.914 -0.123 0.000 3.077 427 V HA 0.879 4.996 4.120 -0.005 0.000 0.299 427 V C 0.431 176.458 176.094 -0.111 0.000 1.276 427 V CA 0.481 62.696 62.300 -0.142 0.000 0.993 427 V CB 2.149 33.932 31.823 -0.067 0.000 1.076 427 V HN 1.436 nan 8.190 nan 0.000 0.434 428 G N 2.609 111.342 108.800 -0.112 0.000 2.580 428 G HA2 0.358 4.315 3.960 -0.005 0.000 0.278 428 G HA3 0.358 4.315 3.960 -0.005 0.000 0.278 428 G C 0.623 175.482 174.900 -0.068 0.000 1.212 428 G CA 0.386 45.471 45.100 -0.026 0.000 0.939 428 G HN 0.954 nan 8.290 nan 0.000 0.513 429 D N -0.373 120.000 120.400 -0.044 0.000 2.178 429 D HA -0.092 4.545 4.640 -0.005 0.000 0.202 429 D C 2.169 178.428 176.300 -0.067 0.000 0.974 429 D CA 1.239 55.160 54.000 -0.132 0.000 0.841 429 D CB -0.800 40.072 40.800 0.119 0.000 0.953 429 D HN 0.468 nan 8.370 nan 0.000 0.478 430 G N 1.197 110.042 108.800 0.074 0.000 2.433 430 G HA2 -0.173 3.784 3.960 -0.005 0.000 0.216 430 G HA3 -0.173 3.784 3.960 -0.005 0.000 0.216 430 G C 1.876 176.864 174.900 0.146 0.000 1.186 430 G CA 1.754 46.994 45.100 0.234 0.000 0.779 430 G HN 0.502 nan 8.290 nan 0.000 0.543 431 A N 0.013 122.875 122.820 0.070 0.000 1.930 431 A HA 0.115 4.432 4.320 -0.005 0.000 0.217 431 A C 2.181 179.706 177.584 -0.098 0.000 1.175 431 A CA 1.434 53.468 52.037 -0.004 0.000 0.627 431 A CB -0.523 18.454 19.000 -0.038 0.000 0.815 431 A HN 0.364 nan 8.150 nan 0.000 0.443 432 F N 0.752 120.490 119.950 -0.352 0.000 2.171 432 F HA -0.207 4.318 4.527 -0.004 0.000 0.300 432 F C 2.435 177.871 175.800 -0.606 0.000 1.090 432 F CA 2.110 59.754 58.000 -0.594 0.000 1.293 432 F CB -0.239 38.201 39.000 -0.934 0.000 1.013 432 F HN 0.307 nan 8.300 nan 0.000 0.486 433 Q N -0.555 119.128 119.800 -0.195 0.000 2.297 433 Q HA -0.211 4.126 4.340 -0.005 0.000 0.208 433 Q C 1.986 178.152 176.000 0.277 0.000 0.981 433 Q CA 1.636 57.478 55.803 0.066 0.000 0.876 433 Q CB -0.129 28.542 28.738 -0.112 0.000 0.921 433 Q HN 0.535 nan 8.270 nan 0.000 0.446 434 M N -1.192 118.451 119.600 0.071 0.000 2.276 434 M HA -0.017 4.461 4.480 -0.005 0.000 0.262 434 M C 1.706 178.082 176.300 0.128 0.000 1.098 434 M CA 1.545 56.938 55.300 0.154 0.000 1.167 434 M CB 0.300 32.968 32.600 0.113 0.000 1.337 434 M HN 0.137 nan 8.290 nan 0.000 0.446 435 T N -3.810 110.675 114.554 -0.115 0.000 3.144 435 T HA 0.289 4.636 4.350 -0.005 0.000 0.290 435 T C 1.446 175.825 174.700 -0.536 0.000 0.966 435 T CA 0.210 62.221 62.100 -0.149 0.000 0.907 435 T CB -0.051 68.802 68.868 -0.025 0.000 1.152 435 T HN 0.347 nan 8.240 nan 0.000 0.532 436 G N 1.055 109.140 108.800 -1.192 0.000 2.432 436 G HA2 -0.092 3.865 3.960 -0.005 0.000 0.219 436 G HA3 -0.092 3.865 3.960 -0.005 0.000 0.219 436 G C 1.030 174.976 174.900 -1.589 0.000 1.135 436 G CA 0.300 44.122 45.100 -2.130 0.000 0.767 436 G HN 0.692 nan 8.290 nan 0.000 0.550 437 W N 1.108 122.024 121.300 -0.641 0.000 2.387 437 W HA 0.038 4.695 4.660 -0.005 0.000 0.272 437 W C 2.205 178.606 176.519 -0.196 0.000 1.224 437 W CA 0.410 57.594 57.345 -0.267 0.000 1.210 437 W CB 0.082 29.484 29.460 -0.097 0.000 1.125 437 W HN 0.128 nan 8.180 nan 0.000 0.572 438 E N 0.759 120.895 120.200 -0.106 0.000 2.333 438 E HA -0.154 4.193 4.350 -0.005 0.000 0.198 438 E C 1.964 178.487 176.600 -0.128 0.000 1.007 438 E CA 0.853 57.215 56.400 -0.064 0.000 0.845 438 E CB -0.602 29.047 29.700 -0.085 0.000 0.766 438 E HN 0.474 nan 8.360 nan 0.000 0.507 439 L N 0.061 121.111 121.223 -0.288 0.000 2.261 439 L HA -0.126 4.211 4.340 -0.005 0.000 0.216 439 L C 2.259 179.016 176.870 -0.188 0.000 1.114 439 L CA 1.042 55.594 54.840 -0.480 0.000 0.777 439 L CB -0.609 40.790 42.059 -1.100 0.000 0.910 439 L HN 0.150 nan 8.230 nan 0.000 0.440 440 G N -0.596 108.215 108.800 0.020 0.000 2.653 440 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.212 440 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.212 440 G C 1.246 176.229 174.900 0.139 0.000 1.138 440 G CA 0.293 45.497 45.100 0.172 0.000 0.782 440 G HN 0.388 nan 8.290 nan 0.000 0.535 441 N N -0.540 118.210 118.700 0.084 0.000 2.299 441 N HA -0.009 4.728 4.740 -0.005 0.000 0.187 441 N C 1.789 177.345 175.510 0.077 0.000 1.099 441 N CA -0.024 53.075 53.050 0.081 0.000 0.867 441 N CB 0.149 38.677 38.487 0.067 0.000 0.974 441 N HN 0.179 nan 8.380 nan 0.000 0.477 442 C N 1.034 120.393 119.300 0.099 0.000 2.393 442 C HA -0.117 4.340 4.460 -0.005 0.000 0.276 442 C C 2.802 177.850 174.990 0.098 0.000 1.215 442 C CA 0.702 59.786 59.018 0.109 0.000 1.743 442 C CB -0.897 26.983 27.740 0.235 0.000 2.044 442 C HN 0.486 nan 8.230 nan 0.000 0.464 443 R N 0.789 121.364 120.500 0.125 0.000 2.115 443 R HA -0.228 4.110 4.340 -0.005 0.000 0.239 443 R C 2.457 178.793 176.300 0.059 0.000 1.133 443 R CA 2.220 58.370 56.100 0.082 0.000 0.935 443 R CB -0.539 29.810 30.300 0.082 0.000 0.853 443 R HN 0.527 nan 8.270 nan 0.000 0.433 444 R N 0.353 120.892 120.500 0.065 0.000 2.120 444 R HA -0.077 4.260 4.340 -0.005 0.000 0.234 444 R C 2.254 178.582 176.300 0.045 0.000 1.123 444 R CA 1.321 57.456 56.100 0.059 0.000 0.975 444 R CB -0.169 30.174 30.300 0.071 0.000 0.866 444 R HN 0.313 nan 8.270 nan 0.000 0.446 445 L N -0.539 120.696 121.223 0.021 0.000 2.478 445 L HA 0.143 4.480 4.340 -0.005 0.000 0.223 445 L C 1.074 177.918 176.870 -0.043 0.000 1.140 445 L CA 0.581 55.391 54.840 -0.051 0.000 0.842 445 L CB -0.006 41.986 42.059 -0.112 0.000 0.953 445 L HN 0.570 nan 8.230 nan 0.000 0.452 446 G N 1.784 110.584 108.800 -0.001 0.000 2.225 446 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.264 446 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.264 446 G C 0.067 174.962 174.900 -0.007 0.000 1.060 446 G CA 0.594 45.696 45.100 0.003 0.000 0.833 446 G HN 0.487 nan 8.290 nan 0.000 0.498 447 I N -3.389 117.180 120.570 -0.001 0.000 3.042 447 I HA 0.881 5.048 4.170 -0.005 0.000 0.310 447 I C -0.933 175.204 176.117 0.034 0.000 1.117 447 I CA -1.197 60.101 61.300 -0.004 0.000 1.003 447 I CB 2.629 40.608 38.000 -0.035 0.000 1.228 447 I HN 0.025 nan 8.210 nan 0.000 0.443 448 D N 1.739 122.155 120.400 0.026 0.000 2.714 448 D HA 0.329 4.966 4.640 -0.005 0.000 0.264 448 D C -2.955 173.361 176.300 0.027 0.000 1.231 448 D CA -1.350 52.682 54.000 0.055 0.000 0.802 448 D CB 0.873 41.683 40.800 0.017 0.000 1.319 448 D HN 0.342 nan 8.370 nan 0.000 0.528 449 P HA 0.299 nan 4.420 nan 0.000 0.274 449 P C 0.124 177.417 177.300 -0.012 0.000 1.231 449 P CA -0.504 62.584 63.100 -0.021 0.000 0.790 449 P CB 1.696 33.369 31.700 -0.045 0.000 0.951 450 I N 1.619 122.134 120.570 -0.092 0.000 2.331 450 I HA 0.237 4.405 4.170 -0.005 0.000 0.292 450 I C -0.000 176.084 176.117 -0.055 0.000 0.998 450 I CA -0.842 60.389 61.300 -0.115 0.000 1.267 450 I CB 1.456 39.270 38.000 -0.309 0.000 1.386 450 I HN 0.002 nan 8.210 nan 0.000 0.476 451 V N 7.785 127.697 119.914 -0.003 0.000 2.407 451 V HA 0.417 4.534 4.120 -0.005 0.000 0.291 451 V C 0.009 176.105 176.094 0.003 0.000 1.018 451 V CA -0.463 61.838 62.300 0.001 0.000 0.842 451 V CB 1.715 33.544 31.823 0.009 0.000 0.996 451 V HN 0.479 nan 8.190 nan 0.000 0.426 452 I N 5.802 126.394 120.570 0.036 0.000 2.312 452 I HA 0.404 4.571 4.170 -0.005 0.000 0.290 452 I C -0.334 175.863 176.117 0.132 0.000 1.008 452 I CA -0.286 61.055 61.300 0.068 0.000 1.226 452 I CB 1.428 39.504 38.000 0.127 0.000 1.371 452 I HN 0.411 nan 8.210 nan 0.000 0.468 453 L N 7.208 128.440 121.223 0.014 0.000 2.262 453 L HA 0.457 4.794 4.340 -0.005 0.000 0.288 453 L C -0.786 176.142 176.870 0.096 0.000 1.035 453 L CA -0.485 54.332 54.840 -0.038 0.000 0.820 453 L CB 0.620 42.443 42.059 -0.394 0.000 1.204 453 L HN 0.471 nan 8.230 nan 0.000 0.424 454 F N 4.155 124.041 119.950 -0.107 0.000 2.509 454 F HA 0.148 4.672 4.527 -0.004 0.000 0.350 454 F C 0.732 176.512 175.800 -0.034 0.000 1.220 454 F CA -0.430 57.544 58.000 -0.043 0.000 1.151 454 F CB 0.196 39.190 39.000 -0.011 0.000 1.379 454 F HN 0.514 nan 8.300 nan 0.000 0.610 455 N N 3.623 122.392 118.700 0.114 0.000 2.500 455 N HA 0.066 4.803 4.740 -0.005 0.000 0.236 455 N C -0.112 175.469 175.510 0.118 0.000 1.022 455 N CA -0.365 52.762 53.050 0.128 0.000 0.935 455 N CB 0.305 38.893 38.487 0.168 0.000 1.147 455 N HN 0.469 nan 8.380 nan 0.000 0.512 456 N N 2.473 121.248 118.700 0.124 0.000 2.235 456 N HA 0.164 4.902 4.740 -0.005 0.000 0.231 456 N C 0.060 175.621 175.510 0.085 0.000 1.177 456 N CA -0.050 53.059 53.050 0.099 0.000 0.874 456 N CB 0.178 38.728 38.487 0.104 0.000 1.097 456 N HN 0.373 nan 8.380 nan 0.000 0.518 457 A N -0.655 122.224 122.820 0.098 0.000 2.560 457 A HA -0.005 4.312 4.320 -0.005 0.000 0.299 457 A C 0.314 177.912 177.584 0.023 0.000 1.484 457 A CA 1.006 53.089 52.037 0.076 0.000 0.749 457 A CB -2.057 16.988 19.000 0.076 0.000 1.072 457 A HN 1.034 nan 8.150 nan 0.000 0.426 458 S N -1.141 114.565 115.700 0.009 0.000 2.597 458 S HA 0.548 5.015 4.470 -0.005 0.000 0.274 458 S C -1.418 173.240 174.600 0.097 0.000 1.132 458 S CA -0.370 57.835 58.200 0.008 0.000 0.835 458 S CB 0.545 63.788 63.200 0.071 0.000 1.092 458 S HN 1.055 nan 8.310 nan 0.000 0.457 459 W N 3.265 124.635 121.300 0.116 0.000 1.828 459 W HA 0.358 5.015 4.660 -0.004 0.000 0.369 459 W C 1.114 177.703 176.519 0.116 0.000 0.764 459 W CA -0.605 56.810 57.345 0.116 0.000 1.660 459 W CB 0.359 29.904 29.460 0.142 0.000 1.843 459 W HN 0.968 nan 8.180 nan 0.000 0.286 460 E N 1.842 122.208 120.200 0.278 0.000 2.118 460 E HA -0.245 4.102 4.350 -0.005 0.000 0.195 460 E C 2.152 178.859 176.600 0.178 0.000 0.992 460 E CA 1.517 58.031 56.400 0.190 0.000 0.804 460 E CB -0.100 29.685 29.700 0.142 0.000 0.741 460 E HN 0.396 nan 8.360 nan 0.000 0.458 461 M N -0.521 119.198 119.600 0.199 0.000 2.159 461 M HA -0.121 4.356 4.480 -0.005 0.000 0.263 461 M C 1.643 178.134 176.300 0.318 0.000 1.063 461 M CA 1.287 56.705 55.300 0.195 0.000 1.110 461 M CB 0.031 32.756 32.600 0.208 0.000 1.374 461 M HN 0.190 nan 8.290 nan 0.000 0.411 462 L N -0.702 120.715 121.223 0.324 0.000 2.109 462 L HA -0.160 4.177 4.340 -0.005 0.000 0.207 462 L C 2.627 179.690 176.870 0.321 0.000 1.086 462 L CA 1.163 56.215 54.840 0.355 0.000 0.760 462 L CB -0.878 41.356 42.059 0.292 0.000 0.910 462 L HN 0.409 nan 8.230 nan 0.000 0.437 463 R N 0.313 120.961 120.500 0.246 0.000 2.105 463 R HA -0.159 4.178 4.340 -0.005 0.000 0.239 463 R C 2.033 178.401 176.300 0.113 0.000 1.135 463 R CA 2.014 58.203 56.100 0.148 0.000 0.967 463 R CB -0.340 30.028 30.300 0.112 0.000 0.861 463 R HN 0.218 nan 8.270 nan 0.000 0.442 464 T N 0.400 115.014 114.554 0.101 0.000 2.833 464 T HA -0.103 4.244 4.350 -0.005 0.000 0.269 464 T C 1.331 176.011 174.700 -0.032 0.000 1.054 464 T CA 1.416 63.512 62.100 -0.008 0.000 1.135 464 T CB -0.243 68.570 68.868 -0.092 0.000 0.869 464 T HN 0.172 nan 8.240 nan 0.000 0.466 465 F N 0.945 120.914 119.950 0.031 0.000 2.163 465 F HA 0.129 4.654 4.527 -0.004 0.000 0.297 465 F C 1.749 177.571 175.800 0.037 0.000 1.094 465 F CA 0.674 58.696 58.000 0.037 0.000 1.290 465 F CB 0.232 39.275 39.000 0.072 0.000 1.017 465 F HN 0.078 nan 8.300 nan 0.000 0.483 466 Q N -0.074 119.873 119.800 0.244 0.000 3.255 466 Q HA 0.209 4.546 4.340 -0.005 0.000 0.231 466 Q C -2.296 173.731 176.000 0.046 0.000 0.935 466 Q CA -1.673 54.209 55.803 0.132 0.000 0.714 466 Q CB 1.276 30.105 28.738 0.151 0.000 1.345 466 Q HN -0.041 nan 8.270 nan 0.000 0.463 467 P HA -0.189 nan 4.420 nan 0.000 0.222 467 P C 0.816 178.091 177.300 -0.041 0.000 1.147 467 P CA 0.937 64.034 63.100 -0.005 0.000 0.790 467 P CB 0.247 31.946 31.700 -0.002 0.000 0.780 468 E N -0.296 119.877 120.200 -0.044 0.000 2.347 468 E HA -0.028 4.319 4.350 -0.005 0.000 0.196 468 E C 0.066 176.591 176.600 -0.125 0.000 1.008 468 E CA 0.568 56.933 56.400 -0.060 0.000 0.852 468 E CB -0.624 29.057 29.700 -0.032 0.000 0.783 468 E HN 0.117 nan 8.360 nan 0.000 0.505 469 S N 0.696 116.255 115.700 -0.235 0.000 2.565 469 S HA 0.446 4.914 4.470 -0.005 0.000 0.274 469 S C 0.753 175.090 174.600 -0.438 0.000 1.309 469 S CA -0.036 57.865 58.200 -0.499 0.000 1.043 469 S CB 1.675 64.177 63.200 -1.163 0.000 0.939 469 S HN 0.402 nan 8.310 nan 0.000 0.504 470 A N 2.388 125.003 122.820 -0.341 0.000 2.030 470 A HA 0.115 4.432 4.320 -0.005 0.000 0.215 470 A C 1.430 178.977 177.584 -0.063 0.000 1.164 470 A CA 0.479 52.431 52.037 -0.142 0.000 0.697 470 A CB -0.631 18.347 19.000 -0.037 0.000 0.827 470 A HN 0.850 nan 8.150 nan 0.000 0.457 471 F N 0.242 120.257 119.950 0.109 0.000 2.583 471 F HA 0.017 4.542 4.527 -0.004 0.000 0.297 471 F C 1.082 176.994 175.800 0.187 0.000 1.131 471 F CA 0.760 58.850 58.000 0.149 0.000 1.467 471 F CB -1.524 37.602 39.000 0.209 0.000 1.097 471 F HN 0.208 nan 8.300 nan 0.000 0.586 472 N N -0.423 118.420 118.700 0.238 0.000 2.353 472 N HA -0.047 4.690 4.740 -0.005 0.000 0.185 472 N C -0.534 175.012 175.510 0.059 0.000 1.098 472 N CA 0.011 53.249 53.050 0.313 0.000 0.872 472 N CB -0.032 38.616 38.487 0.268 0.000 0.970 472 N HN 0.139 nan 8.380 nan 0.000 0.467 473 D N 1.565 121.970 120.400 0.008 0.000 2.336 473 D HA 0.152 4.789 4.640 -0.005 0.000 0.249 473 D C -0.066 176.188 176.300 -0.076 0.000 1.213 473 D CA 0.279 54.265 54.000 -0.022 0.000 0.870 473 D CB 0.928 41.725 40.800 -0.005 0.000 1.076 473 D HN 0.129 nan 8.370 nan 0.000 0.483 474 L N 1.509 122.666 121.223 -0.110 0.000 2.358 474 L HA 0.360 4.697 4.340 -0.005 0.000 0.268 474 L C 0.722 177.612 176.870 0.032 0.000 1.032 474 L CA -1.077 53.695 54.840 -0.114 0.000 0.805 474 L CB 0.974 42.894 42.059 -0.232 0.000 1.253 474 L HN 0.091 nan 8.230 nan 0.000 0.452 475 D N -0.216 120.263 120.400 0.132 0.000 2.377 475 D HA 0.107 4.744 4.640 -0.005 0.000 0.245 475 D C -0.654 175.795 176.300 0.248 0.000 1.196 475 D CA 0.029 54.114 54.000 0.143 0.000 0.962 475 D CB 0.670 41.520 40.800 0.084 0.000 1.127 475 D HN 0.398 nan 8.370 nan 0.000 0.471 476 D N 0.198 120.686 120.400 0.146 0.000 2.347 476 D HA 0.177 4.814 4.640 -0.005 0.000 0.235 476 D C -1.137 175.238 176.300 0.124 0.000 1.149 476 D CA -0.514 53.577 54.000 0.150 0.000 0.850 476 D CB 0.236 41.073 40.800 0.062 0.000 1.061 476 D HN 0.114 nan 8.370 nan 0.000 0.487 477 W N 3.753 124.881 121.300 -0.287 0.000 2.376 477 W HA 0.401 5.058 4.660 -0.005 0.000 0.322 477 W C 0.469 176.631 176.519 -0.596 0.000 1.160 477 W CA -0.911 56.108 57.345 -0.545 0.000 1.218 477 W CB 0.867 29.689 29.460 -1.063 0.000 1.205 477 W HN 0.139 nan 8.180 nan 0.000 0.559 478 R N 4.189 124.586 120.500 -0.171 0.000 2.870 478 R HA 0.152 4.489 4.340 -0.005 0.000 0.254 478 R C 0.553 176.853 176.300 0.001 0.000 1.392 478 R CA -0.400 55.663 56.100 -0.062 0.000 1.322 478 R CB -1.006 29.290 30.300 -0.007 0.000 1.205 478 R HN 0.462 nan 8.270 nan 0.000 0.597 479 F N 1.059 121.108 119.950 0.165 0.000 2.146 479 F HA -0.163 4.361 4.527 -0.005 0.000 0.298 479 F C 2.445 178.299 175.800 0.091 0.000 1.096 479 F CA 1.567 59.635 58.000 0.113 0.000 1.275 479 F CB -0.567 38.312 39.000 -0.201 0.000 1.008 479 F HN 0.447 nan 8.300 nan 0.000 0.480 480 A N 0.206 123.157 122.820 0.217 0.000 1.883 480 A HA -0.229 4.088 4.320 -0.005 0.000 0.217 480 A C 2.015 179.691 177.584 0.154 0.000 1.186 480 A CA 2.171 54.298 52.037 0.150 0.000 0.624 480 A CB -1.004 18.050 19.000 0.091 0.000 0.822 480 A HN 0.295 nan 8.150 nan 0.000 0.444 481 D N -0.419 120.060 120.400 0.131 0.000 2.190 481 D HA -0.154 4.483 4.640 -0.005 0.000 0.200 481 D C 1.798 178.191 176.300 0.155 0.000 0.992 481 D CA 1.447 55.514 54.000 0.111 0.000 0.854 481 D CB -0.304 40.542 40.800 0.077 0.000 0.936 481 D HN 0.564 nan 8.370 nan 0.000 0.462 482 M N -0.235 119.508 119.600 0.238 0.000 2.556 482 M HA 0.137 4.614 4.480 -0.005 0.000 0.245 482 M C 2.080 178.592 176.300 0.354 0.000 1.128 482 M CA 0.095 55.582 55.300 0.311 0.000 1.069 482 M CB 0.294 33.178 32.600 0.473 0.000 1.469 482 M HN -0.088 nan 8.290 nan 0.000 0.494 483 A N 1.238 124.253 122.820 0.325 0.000 1.883 483 A HA -0.149 4.168 4.320 -0.005 0.000 0.217 483 A C 2.440 180.167 177.584 0.239 0.000 1.186 483 A CA 2.190 54.444 52.037 0.362 0.000 0.624 483 A CB -0.935 18.214 19.000 0.248 0.000 0.822 483 A HN 0.482 nan 8.150 nan 0.000 0.444 484 A N -0.534 122.365 122.820 0.132 0.000 1.892 484 A HA 0.028 4.345 4.320 -0.005 0.000 0.218 484 A C 2.468 180.118 177.584 0.110 0.000 1.188 484 A CA 2.144 54.224 52.037 0.072 0.000 0.631 484 A CB -1.589 17.442 19.000 0.052 0.000 0.822 484 A HN 0.961 nan 8.150 nan 0.000 0.447 485 G N -1.302 107.587 108.800 0.148 0.000 2.501 485 G HA2 -0.166 3.791 3.960 -0.005 0.000 0.220 485 G HA3 -0.166 3.791 3.960 -0.005 0.000 0.220 485 G C 1.361 176.371 174.900 0.185 0.000 1.114 485 G CA 1.132 46.320 45.100 0.146 0.000 0.757 485 G HN 0.512 nan 8.290 nan 0.000 0.559 486 M N -0.123 119.637 119.600 0.268 0.000 2.371 486 M HA 0.270 4.748 4.480 -0.005 0.000 0.246 486 M C 1.554 178.063 176.300 0.349 0.000 1.103 486 M CA 0.547 56.054 55.300 0.345 0.000 1.010 486 M CB 0.867 33.764 32.600 0.494 0.000 1.457 486 M HN 0.297 nan 8.290 nan 0.000 0.486 487 G N 0.735 109.637 108.800 0.171 0.000 2.132 487 G HA2 -0.159 3.798 3.960 -0.005 0.000 0.234 487 G HA3 -0.159 3.798 3.960 -0.005 0.000 0.234 487 G C 0.061 174.823 174.900 -0.231 0.000 0.989 487 G CA -0.139 44.988 45.100 0.046 0.000 0.676 487 G HN 0.609 nan 8.290 nan 0.000 0.522 488 G N -1.178 107.292 108.800 -0.549 0.000 3.042 488 G HA2 0.626 4.583 3.960 -0.005 0.000 0.278 488 G HA3 0.626 4.583 3.960 -0.005 0.000 0.278 488 G C -1.523 173.008 174.900 -0.615 0.000 1.371 488 G CA -0.432 43.867 45.100 -1.335 0.000 1.009 488 G HN 0.097 nan 8.290 nan 0.000 0.523 489 D N 0.010 120.095 120.400 -0.525 0.000 2.381 489 D HA 0.509 5.146 4.640 -0.005 0.000 0.235 489 D C 0.110 176.354 176.300 -0.092 0.000 1.068 489 D CA 0.006 53.880 54.000 -0.209 0.000 0.832 489 D CB 1.650 42.360 40.800 -0.149 0.000 1.101 489 D HN 0.556 nan 8.370 nan 0.000 0.515 490 G N 0.112 108.905 108.800 -0.012 0.000 2.420 490 G HA2 0.573 4.530 3.960 -0.005 0.000 0.331 490 G HA3 0.573 4.530 3.960 -0.005 0.000 0.331 490 G C -1.079 173.841 174.900 0.033 0.000 1.168 490 G CA -0.729 44.401 45.100 0.050 0.000 0.936 490 G HN 0.337 nan 8.290 nan 0.000 0.479 491 V N 1.961 121.894 119.914 0.032 0.000 2.777 491 V HA 0.699 4.816 4.120 -0.005 0.000 0.306 491 V C -0.633 175.474 176.094 0.022 0.000 1.112 491 V CA -1.108 61.205 62.300 0.023 0.000 0.917 491 V CB 1.858 33.687 31.823 0.011 0.000 1.018 491 V HN 0.918 nan 8.190 nan 0.000 0.426 492 R N 5.265 125.780 120.500 0.025 0.000 2.265 492 R HA 0.768 5.105 4.340 -0.005 0.000 0.319 492 R C -0.984 175.321 176.300 0.008 0.000 1.006 492 R CA -0.239 55.875 56.100 0.022 0.000 0.880 492 R CB 1.608 31.928 30.300 0.034 0.000 1.077 492 R HN 0.851 nan 8.270 nan 0.000 0.454 493 V N 2.226 122.138 119.914 -0.004 0.000 2.628 493 V HA 0.569 4.686 4.120 -0.005 0.000 0.306 493 V C 0.225 176.309 176.094 -0.016 0.000 1.045 493 V CA -0.771 61.522 62.300 -0.012 0.000 0.905 493 V CB 2.004 33.813 31.823 -0.023 0.000 0.997 493 V HN 0.952 nan 8.190 nan 0.000 0.436 494 R N 1.412 121.904 120.500 -0.012 0.000 2.435 494 R HA 0.245 4.582 4.340 -0.005 0.000 0.221 494 R C 0.618 176.909 176.300 -0.015 0.000 0.885 494 R CA 0.688 56.781 56.100 -0.012 0.000 1.018 494 R CB 0.980 31.278 30.300 -0.003 0.000 1.259 494 R HN 0.913 nan 8.270 nan 0.000 0.597 495 T N -2.309 112.236 114.554 -0.015 0.000 2.950 495 T HA 0.345 4.692 4.350 -0.005 0.000 0.288 495 T C 0.845 175.533 174.700 -0.019 0.000 1.035 495 T CA -0.912 61.180 62.100 -0.014 0.000 1.028 495 T CB 2.501 71.364 68.868 -0.009 0.000 1.109 495 T HN -0.082 nan 8.240 nan 0.000 0.514 496 R N 0.566 121.055 120.500 -0.018 0.000 2.120 496 R HA -0.010 4.327 4.340 -0.005 0.000 0.234 496 R C 2.583 178.875 176.300 -0.014 0.000 1.123 496 R CA 1.221 57.310 56.100 -0.019 0.000 0.975 496 R CB -0.785 29.505 30.300 -0.015 0.000 0.866 496 R HN 0.804 nan 8.270 nan 0.000 0.446 497 A N 1.701 124.515 122.820 -0.010 0.000 1.873 497 A HA -0.186 4.131 4.320 -0.005 0.000 0.215 497 A C 1.918 179.499 177.584 -0.005 0.000 1.186 497 A CA 1.288 53.321 52.037 -0.006 0.000 0.616 497 A CB -0.300 18.698 19.000 -0.004 0.000 0.823 497 A HN 0.309 nan 8.150 nan 0.000 0.442 498 E N -0.558 119.638 120.200 -0.007 0.000 2.110 498 E HA -0.195 4.152 4.350 -0.005 0.000 0.193 498 E C 1.937 178.532 176.600 -0.008 0.000 0.988 498 E CA 1.171 57.568 56.400 -0.006 0.000 0.804 498 E CB -0.325 29.371 29.700 -0.007 0.000 0.745 498 E HN 0.512 nan 8.360 nan 0.000 0.458 499 L N 1.921 123.134 121.223 -0.016 0.000 1.989 499 L HA -0.223 4.115 4.340 -0.005 0.000 0.211 499 L C 2.240 179.108 176.870 -0.004 0.000 1.071 499 L CA 1.975 56.802 54.840 -0.021 0.000 0.749 499 L CB -0.358 41.677 42.059 -0.040 0.000 0.890 499 L HN -0.086 nan 8.230 nan 0.000 0.431 500 K N -0.760 119.639 120.400 -0.002 0.000 2.032 500 K HA -0.205 4.112 4.320 -0.005 0.000 0.209 500 K C 2.013 178.622 176.600 0.016 0.000 1.048 500 K CA 1.530 57.821 56.287 0.007 0.000 0.927 500 K CB -0.346 32.154 32.500 0.000 0.000 0.712 500 K HN 0.495 nan 8.250 nan 0.000 0.441 501 A N 1.140 123.967 122.820 0.011 0.000 1.865 501 A HA -0.177 4.140 4.320 -0.005 0.000 0.217 501 A C 2.363 179.963 177.584 0.025 0.000 1.191 501 A CA 2.215 54.261 52.037 0.016 0.000 0.623 501 A CB -1.040 17.965 19.000 0.009 0.000 0.826 501 A HN 0.511 nan 8.150 nan 0.000 0.444 502 A N -0.754 122.078 122.820 0.020 0.000 1.917 502 A HA -0.126 4.192 4.320 -0.005 0.000 0.219 502 A C 2.169 179.781 177.584 0.046 0.000 1.182 502 A CA 1.934 53.984 52.037 0.022 0.000 0.633 502 A CB -0.665 18.341 19.000 0.009 0.000 0.819 502 A HN 0.699 nan 8.150 nan 0.000 0.448 503 L N -0.132 121.130 121.223 0.065 0.000 2.056 503 L HA -0.144 4.193 4.340 -0.005 0.000 0.207 503 L C 1.700 178.696 176.870 0.211 0.000 1.078 503 L CA 2.324 57.246 54.840 0.136 0.000 0.749 503 L CB -0.539 41.602 42.059 0.138 0.000 0.901 503 L HN 0.347 nan 8.230 nan 0.000 0.433 504 D N -0.497 119.981 120.400 0.129 0.000 2.117 504 D HA -0.220 4.418 4.640 -0.005 0.000 0.198 504 D C 2.072 178.449 176.300 0.128 0.000 0.982 504 D CA 1.201 55.276 54.000 0.124 0.000 0.828 504 D CB 0.018 40.851 40.800 0.054 0.000 0.967 504 D HN 0.382 nan 8.370 nan 0.000 0.464 505 K N 0.836 121.285 120.400 0.081 0.000 2.097 505 K HA -0.085 4.233 4.320 -0.005 0.000 0.206 505 K C 2.023 178.653 176.600 0.050 0.000 1.049 505 K CA 1.136 57.456 56.287 0.054 0.000 0.933 505 K CB 0.027 32.544 32.500 0.028 0.000 0.717 505 K HN -0.017 nan 8.250 nan 0.000 0.442 506 A N 0.525 123.371 122.820 0.045 0.000 1.877 506 A HA -0.137 4.180 4.320 -0.005 0.000 0.216 506 A C 1.900 179.446 177.584 -0.064 0.000 1.186 506 A CA 1.306 53.325 52.037 -0.031 0.000 0.620 506 A CB -0.797 18.158 19.000 -0.074 0.000 0.822 506 A HN 0.374 nan 8.150 nan 0.000 0.443 507 F N -0.122 119.831 119.950 0.004 0.000 2.293 507 F HA 0.019 4.543 4.527 -0.005 0.000 0.300 507 F C 2.551 178.352 175.800 0.001 0.000 1.086 507 F CA 0.950 58.953 58.000 0.004 0.000 1.375 507 F CB -0.054 38.947 39.000 0.001 0.000 1.045 507 F HN 0.256 nan 8.300 nan 0.000 0.516 508 A N -1.322 121.596 122.820 0.162 0.000 2.169 508 A HA 0.104 4.421 4.320 -0.005 0.000 0.212 508 A C 0.755 178.367 177.584 0.047 0.000 1.153 508 A CA 0.640 52.733 52.037 0.093 0.000 0.756 508 A CB -0.634 18.409 19.000 0.070 0.000 0.813 508 A HN 0.127 nan 8.150 nan 0.000 0.471 509 T N 1.427 115.995 114.554 0.023 0.000 2.772 509 T HA 0.533 4.880 4.350 -0.005 0.000 0.288 509 T C -0.184 174.503 174.700 -0.021 0.000 0.994 509 T CA -0.545 61.552 62.100 -0.005 0.000 0.951 509 T CB 1.183 70.038 68.868 -0.022 0.000 0.933 509 T HN 0.321 nan 8.240 nan 0.000 0.447 510 R N 1.005 121.497 120.500 -0.013 0.000 2.873 510 R HA 0.738 5.075 4.340 -0.005 0.000 0.264 510 R C 1.022 177.311 176.300 -0.019 0.000 1.026 510 R CA -0.595 55.496 56.100 -0.016 0.000 1.002 510 R CB 1.629 31.929 30.300 -0.000 0.000 1.174 510 R HN 0.863 nan 8.270 nan 0.000 0.488 511 G N 0.650 109.441 108.800 -0.016 0.000 2.284 511 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.216 511 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.216 511 G C -0.017 174.869 174.900 -0.024 0.000 1.009 511 G CA -0.328 44.764 45.100 -0.015 0.000 0.625 511 G HN 0.480 nan 8.290 nan 0.000 0.501 512 R N -0.112 120.357 120.500 -0.052 0.000 2.795 512 R HA 0.603 4.940 4.340 -0.005 0.000 0.275 512 R C 0.014 176.259 176.300 -0.092 0.000 0.981 512 R CA -0.686 55.349 56.100 -0.109 0.000 0.917 512 R CB 1.236 31.412 30.300 -0.208 0.000 1.202 512 R HN 0.429 nan 8.270 nan 0.000 0.469 513 F N 0.098 120.043 119.950 -0.008 0.000 2.506 513 F HA 0.228 4.752 4.527 -0.004 0.000 0.351 513 F C -0.218 175.570 175.800 -0.020 0.000 1.136 513 F CA -0.559 57.429 58.000 -0.021 0.000 1.298 513 F CB 0.550 39.547 39.000 -0.005 0.000 1.145 513 F HN 0.081 nan 8.300 nan 0.000 0.593 514 Q N 4.252 124.146 119.800 0.157 0.000 2.348 514 Q HA 0.415 4.752 4.340 -0.005 0.000 0.265 514 Q C -1.394 174.704 176.000 0.164 0.000 0.998 514 Q CA -0.784 55.050 55.803 0.052 0.000 0.831 514 Q CB 2.147 30.863 28.738 -0.038 0.000 1.251 514 Q HN 0.835 nan 8.270 nan 0.000 0.456 515 L N 4.448 125.781 121.223 0.182 0.000 2.280 515 L HA 0.502 4.839 4.340 -0.005 0.000 0.287 515 L C -1.012 175.887 176.870 0.048 0.000 1.023 515 L CA -0.214 54.718 54.840 0.153 0.000 0.819 515 L CB 0.847 43.062 42.059 0.261 0.000 1.212 515 L HN 0.527 nan 8.230 nan 0.000 0.420 516 I N 4.837 125.410 120.570 0.005 0.000 2.337 516 I HA 0.292 4.459 4.170 -0.005 0.000 0.285 516 I C 0.084 176.175 176.117 -0.043 0.000 1.041 516 I CA -0.319 60.973 61.300 -0.014 0.000 1.199 516 I CB 1.144 39.136 38.000 -0.014 0.000 1.370 516 I HN 0.612 nan 8.210 nan 0.000 0.470 517 E N 6.238 126.418 120.200 -0.033 0.000 1.893 517 E HA 0.418 4.765 4.350 -0.005 0.000 0.269 517 E C -0.328 176.254 176.600 -0.031 0.000 1.129 517 E CA -0.548 55.831 56.400 -0.036 0.000 0.904 517 E CB 0.750 30.464 29.700 0.024 0.000 1.077 517 E HN 0.723 nan 8.360 nan 0.000 0.407 518 A N 6.223 128.998 122.820 -0.076 0.000 2.302 518 A HA 0.276 4.593 4.320 -0.005 0.000 0.295 518 A C 0.077 177.620 177.584 -0.068 0.000 1.235 518 A CA -0.562 51.411 52.037 -0.106 0.000 0.876 518 A CB 0.238 19.099 19.000 -0.232 0.000 1.133 518 A HN 0.616 nan 8.150 nan 0.000 0.533 519 M N 3.579 123.160 119.600 -0.032 0.000 2.194 519 M HA 0.274 4.751 4.480 -0.005 0.000 0.347 519 M C -0.375 175.915 176.300 -0.016 0.000 1.439 519 M CA 0.355 55.655 55.300 -0.001 0.000 1.131 519 M CB -0.567 32.040 32.600 0.011 0.000 1.733 519 M HN 0.466 nan 8.290 nan 0.000 0.467 520 I N 6.181 126.753 120.570 0.004 0.000 2.378 520 I HA 0.345 4.513 4.170 -0.005 0.000 0.291 520 I C -2.025 174.110 176.117 0.031 0.000 0.992 520 I CA -2.010 59.295 61.300 0.007 0.000 1.154 520 I CB 2.208 40.224 38.000 0.027 0.000 1.315 520 I HN 0.356 nan 8.210 nan 0.000 0.448 521 P HA 0.150 nan 4.420 nan 0.000 0.268 521 P C -0.546 176.776 177.300 0.037 0.000 1.205 521 P CA -0.317 62.799 63.100 0.027 0.000 0.771 521 P CB 0.464 32.174 31.700 0.017 0.000 0.858 522 R N 1.591 122.113 120.500 0.037 0.000 2.698 522 R HA 0.261 4.598 4.340 -0.005 0.000 0.266 522 R C 1.431 177.750 176.300 0.032 0.000 1.026 522 R CA 1.242 57.366 56.100 0.040 0.000 1.102 522 R CB -0.464 29.856 30.300 0.034 0.000 0.978 522 R HN 0.883 nan 8.270 nan 0.000 0.436 523 G N 0.677 109.499 108.800 0.035 0.000 2.184 523 G HA2 -0.260 3.697 3.960 -0.005 0.000 0.264 523 G HA3 -0.260 3.697 3.960 -0.005 0.000 0.264 523 G C -0.115 174.798 174.900 0.022 0.000 0.975 523 G CA 0.160 45.274 45.100 0.024 0.000 0.642 523 G HN 0.425 nan 8.290 nan 0.000 0.536 524 V N 2.044 121.977 119.914 0.032 0.000 2.357 524 V HA 0.764 4.881 4.120 -0.005 0.000 0.284 524 V C 0.454 176.575 176.094 0.046 0.000 1.018 524 V CA -0.102 62.217 62.300 0.031 0.000 0.841 524 V CB 1.189 33.030 31.823 0.030 0.000 0.991 524 V HN 0.854 nan 8.190 nan 0.000 0.437 525 L N 2.770 124.015 121.223 0.036 0.000 2.469 525 L HA 0.861 5.199 4.340 -0.005 0.000 0.256 525 L C 0.111 177.003 176.870 0.037 0.000 1.006 525 L CA -0.772 54.096 54.840 0.046 0.000 0.832 525 L CB 2.328 44.398 42.059 0.019 0.000 1.421 525 L HN 0.541 nan 8.230 nan 0.000 0.410 526 S N -0.662 115.074 115.700 0.060 0.000 2.568 526 S HA 0.066 4.533 4.470 -0.005 0.000 0.282 526 S C 0.403 175.009 174.600 0.010 0.000 1.338 526 S CA 0.079 58.314 58.200 0.059 0.000 1.045 526 S CB 0.743 64.009 63.200 0.110 0.000 0.873 526 S HN 0.776 nan 8.310 nan 0.000 0.516 527 D N 2.535 122.942 120.400 0.012 0.000 2.149 527 D HA -0.065 4.572 4.640 -0.005 0.000 0.198 527 D C 1.947 178.231 176.300 -0.026 0.000 0.990 527 D CA 1.751 55.743 54.000 -0.013 0.000 0.839 527 D CB -0.852 39.946 40.800 -0.003 0.000 0.948 527 D HN 0.752 nan 8.370 nan 0.000 0.460 528 T N 1.181 115.742 114.554 0.011 0.000 2.684 528 T HA -0.178 4.169 4.350 -0.005 0.000 0.267 528 T C 1.903 176.540 174.700 -0.104 0.000 1.036 528 T CA 0.870 62.989 62.100 0.030 0.000 1.148 528 T CB -0.403 68.557 68.868 0.153 0.000 0.863 528 T HN 0.071 nan 8.240 nan 0.000 0.436 529 L N 1.538 122.625 121.223 -0.227 0.000 2.017 529 L HA 0.057 4.395 4.340 -0.005 0.000 0.208 529 L C 2.627 179.282 176.870 -0.358 0.000 1.073 529 L CA 2.043 56.523 54.840 -0.599 0.000 0.745 529 L CB -1.234 40.566 42.059 -0.432 0.000 0.894 529 L HN 0.226 nan 8.230 nan 0.000 0.432 530 A N -0.145 122.553 122.820 -0.204 0.000 1.873 530 A HA -0.271 4.046 4.320 -0.005 0.000 0.218 530 A C 2.438 179.913 177.584 -0.182 0.000 1.193 530 A CA 2.240 54.173 52.037 -0.173 0.000 0.629 530 A CB -0.636 18.299 19.000 -0.109 0.000 0.826 530 A HN 0.553 nan 8.150 nan 0.000 0.447 531 R N -2.261 118.156 120.500 -0.138 0.000 2.115 531 R HA -0.010 4.327 4.340 -0.005 0.000 0.226 531 R C 1.973 178.178 176.300 -0.158 0.000 1.100 531 R CA 1.240 57.262 56.100 -0.131 0.000 0.980 531 R CB -0.403 29.845 30.300 -0.086 0.000 0.875 531 R HN 0.619 nan 8.270 nan 0.000 0.445 532 F N 1.001 120.756 119.950 -0.326 0.000 2.102 532 F HA -0.198 4.326 4.527 -0.005 0.000 0.298 532 F C 2.006 177.580 175.800 -0.376 0.000 1.105 532 F CA 1.278 59.066 58.000 -0.354 0.000 1.239 532 F CB -0.229 38.470 39.000 -0.502 0.000 0.991 532 F HN -0.291 nan 8.300 nan 0.000 0.474 533 V N 0.660 120.378 119.914 -0.326 0.000 2.287 533 V HA -0.316 3.801 4.120 -0.005 0.000 0.248 533 V C 2.475 178.223 176.094 -0.578 0.000 1.053 533 V CA 2.049 63.975 62.300 -0.623 0.000 1.027 533 V CB -0.755 30.591 31.823 -0.794 0.000 0.646 533 V HN 0.381 nan 8.190 nan 0.000 0.447 534 Q N 0.162 119.720 119.800 -0.404 0.000 2.084 534 Q HA -0.129 4.208 4.340 -0.005 0.000 0.202 534 Q C 2.422 178.239 176.000 -0.305 0.000 0.978 534 Q CA 1.872 57.490 55.803 -0.308 0.000 0.844 534 Q CB -0.993 27.615 28.738 -0.217 0.000 0.898 534 Q HN 0.682 nan 8.270 nan 0.000 0.426 535 G N 1.126 109.725 108.800 -0.335 0.000 2.446 535 G HA2 -0.272 3.685 3.960 -0.005 0.000 0.217 535 G HA3 -0.272 3.685 3.960 -0.005 0.000 0.217 535 G C 1.436 176.116 174.900 -0.366 0.000 1.168 535 G CA 0.552 45.456 45.100 -0.326 0.000 0.771 535 G HN 0.241 nan 8.290 nan 0.000 0.551 536 Q N 0.389 119.891 119.800 -0.497 0.000 2.119 536 Q HA -0.007 4.330 4.340 -0.005 0.000 0.201 536 Q C 2.523 178.318 176.000 -0.342 0.000 0.972 536 Q CA 0.945 56.524 55.803 -0.372 0.000 0.847 536 Q CB -0.322 28.219 28.738 -0.329 0.000 0.903 536 Q HN 0.489 nan 8.270 nan 0.000 0.433 537 K N 0.595 120.743 120.400 -0.419 0.000 2.113 537 K HA -0.149 4.169 4.320 -0.005 0.000 0.208 537 K C 2.130 178.426 176.600 -0.506 0.000 1.047 537 K CA 1.128 57.046 56.287 -0.615 0.000 0.928 537 K CB -0.085 32.214 32.500 -0.336 0.000 0.716 537 K HN 0.131 nan 8.250 nan 0.000 0.446 538 R N 0.408 120.736 120.500 -0.286 0.000 2.139 538 R HA -0.163 4.174 4.340 -0.005 0.000 0.243 538 R C 2.147 178.381 176.300 -0.110 0.000 1.145 538 R CA 1.024 57.024 56.100 -0.165 0.000 0.976 538 R CB -0.358 29.866 30.300 -0.126 0.000 0.866 538 R HN 0.107 nan 8.270 nan 0.000 0.449 539 L N 0.657 121.816 121.223 -0.108 0.000 2.549 539 L HA -0.058 4.279 4.340 -0.005 0.000 0.229 539 L C 0.615 177.588 176.870 0.173 0.000 1.158 539 L CA 1.164 56.023 54.840 0.030 0.000 0.842 539 L CB -0.358 41.737 42.059 0.061 0.000 0.952 539 L HN 0.178 nan 8.230 nan 0.000 0.452 540 H N 0.000 119.072 119.070 0.004 0.000 2.539 540 H HA 0.000 4.553 4.556 -0.005 0.000 0.296 540 H CA 0.000 56.052 56.048 0.007 0.000 1.023 540 H CB 0.000 29.774 29.762 0.019 0.000 1.292 540 H HN 0.000 nan 8.280 nan 0.000 0.496