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_A 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 PHAYPTGLQA 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 ARFVQGQ 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 -0.000 0.000 1.023 0 H CB 0.000 29.762 29.762 -0.000 0.000 1.292 1 M N -1.103 118.565 119.600 0.112 0.000 2.732 1 M HA 0.526 5.006 4.480 -0.001 0.000 0.272 1 M C -1.672 174.659 176.300 0.051 0.000 1.203 1 M CA -1.152 54.186 55.300 0.062 0.000 0.841 1 M CB 2.311 34.928 32.600 0.029 0.000 1.685 1 M HN 0.294 nan 8.290 nan 0.000 0.492 2 K N 1.122 121.544 120.400 0.037 0.000 2.436 2 K HA 0.134 4.454 4.320 -0.001 0.000 0.275 2 K C 0.719 177.341 176.600 0.037 0.000 0.999 2 K CA -0.129 56.179 56.287 0.036 0.000 0.980 2 K CB 1.169 33.684 32.500 0.026 0.000 0.919 2 K HN 0.673 nan 8.250 nan 0.000 0.484 3 L N 3.189 124.438 121.223 0.043 0.000 2.012 3 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 3 L C 2.202 179.117 176.870 0.074 0.000 1.073 3 L CA 2.027 56.893 54.840 0.043 0.000 0.748 3 L CB -0.342 41.738 42.059 0.035 0.000 0.891 3 L HN 0.885 nan 8.230 nan 0.000 0.431 4 A N -0.587 122.303 122.820 0.118 0.000 1.908 4 A HA -0.313 4.006 4.320 -0.001 0.000 0.218 4 A C 2.259 179.904 177.584 0.100 0.000 1.181 4 A CA 2.072 54.241 52.037 0.220 0.000 0.627 4 A CB -0.764 18.372 19.000 0.227 0.000 0.818 4 A HN 0.664 nan 8.150 nan 0.000 0.445 5 E N -0.357 119.859 120.200 0.027 0.000 2.072 5 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 5 E C 2.156 178.759 176.600 0.004 0.000 0.985 5 E CA 0.897 57.291 56.400 -0.010 0.000 0.801 5 E CB -0.244 29.446 29.700 -0.017 0.000 0.750 5 E HN 0.549 nan 8.360 nan 0.000 0.452 6 A N 1.095 123.925 122.820 0.017 0.000 1.902 6 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 6 A C 2.114 179.707 177.584 0.015 0.000 1.181 6 A CA 1.297 53.339 52.037 0.009 0.000 0.623 6 A CB -0.653 18.349 19.000 0.004 0.000 0.818 6 A HN 0.381 nan 8.150 nan 0.000 0.443 7 L N -0.035 121.211 121.223 0.038 0.000 1.994 7 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 7 L C 2.311 179.206 176.870 0.043 0.000 1.071 7 L CA 1.812 56.678 54.840 0.044 0.000 0.745 7 L CB -0.700 41.405 42.059 0.077 0.000 0.892 7 L HN 0.413 nan 8.230 nan 0.000 0.431 8 L N -0.809 120.444 121.223 0.050 0.000 2.042 8 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 8 L C 2.774 179.635 176.870 -0.016 0.000 1.076 8 L CA 1.435 56.279 54.840 0.005 0.000 0.749 8 L CB -0.598 41.428 42.059 -0.054 0.000 0.893 8 L HN 0.266 nan 8.230 nan 0.000 0.432 9 R N -0.086 120.404 120.500 -0.015 0.000 2.092 9 R HA -0.105 4.234 4.340 -0.001 0.000 0.231 9 R C 2.446 178.739 176.300 -0.011 0.000 1.119 9 R CA 1.225 57.314 56.100 -0.018 0.000 0.970 9 R CB -0.455 29.835 30.300 -0.016 0.000 0.864 9 R HN 0.358 nan 8.270 nan 0.000 0.440 10 A N 1.163 123.980 122.820 -0.005 0.000 1.933 10 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 10 A C 2.141 179.724 177.584 -0.003 0.000 1.175 10 A CA 1.098 53.133 52.037 -0.003 0.000 0.628 10 A CB -0.389 18.610 19.000 -0.001 0.000 0.814 10 A HN 0.159 nan 8.150 nan 0.000 0.444 11 L N -0.788 120.433 121.223 -0.002 0.000 2.044 11 L HA -0.144 4.196 4.340 -0.001 0.000 0.205 11 L C 2.611 179.476 176.870 -0.007 0.000 1.075 11 L CA 1.827 56.665 54.840 -0.003 0.000 0.747 11 L CB -0.387 41.672 42.059 0.000 0.000 0.903 11 L HN 0.432 nan 8.230 nan 0.000 0.435 12 K N 0.106 120.496 120.400 -0.015 0.000 2.057 12 K HA -0.212 4.108 4.320 -0.001 0.000 0.207 12 K C 1.627 178.220 176.600 -0.011 0.000 1.049 12 K CA 1.740 58.016 56.287 -0.018 0.000 0.931 12 K CB -0.024 32.459 32.500 -0.029 0.000 0.714 12 K HN 0.228 nan 8.250 nan 0.000 0.440 13 D N 0.455 120.850 120.400 -0.010 0.000 2.218 13 D HA -0.119 4.520 4.640 -0.001 0.000 0.204 13 D C 1.248 177.546 176.300 -0.004 0.000 0.976 13 D CA 1.027 55.023 54.000 -0.006 0.000 0.853 13 D CB 0.054 40.850 40.800 -0.006 0.000 0.939 13 D HN 0.260 nan 8.370 nan 0.000 0.481 14 R N -0.737 119.761 120.500 -0.003 0.000 2.388 14 R HA 0.269 4.609 4.340 -0.001 0.000 0.247 14 R C 1.134 177.435 176.300 0.001 0.000 0.931 14 R CA 0.419 56.518 56.100 -0.001 0.000 1.082 14 R CB 0.672 30.971 30.300 -0.002 0.000 1.135 14 R HN 0.126 nan 8.270 nan 0.000 0.525 15 G N 0.273 109.075 108.800 0.002 0.000 2.195 15 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.224 15 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.224 15 G C 0.318 175.227 174.900 0.015 0.000 0.990 15 G CA -0.194 44.912 45.100 0.009 0.000 0.639 15 G HN 0.477 nan 8.290 nan 0.000 0.514 16 A N 0.046 122.872 122.820 0.010 0.000 2.540 16 A HA 0.529 4.848 4.320 -0.001 0.000 0.239 16 A C 1.126 178.712 177.584 0.002 0.000 1.061 16 A CA 1.502 53.546 52.037 0.013 0.000 0.758 16 A CB 0.183 19.183 19.000 0.001 0.000 0.991 16 A HN 0.576 nan 8.150 nan 0.000 0.502 17 Q N 0.415 120.223 119.800 0.014 0.000 2.317 17 Q HA 0.442 4.782 4.340 -0.001 0.000 0.220 17 Q C 0.272 176.234 176.000 -0.063 0.000 0.873 17 Q CA 0.717 56.519 55.803 -0.001 0.000 0.936 17 Q CB 0.592 29.356 28.738 0.044 0.000 1.105 17 Q HN 0.960 nan 8.270 nan 0.000 0.520 18 A N 0.683 123.439 122.820 -0.107 0.000 2.566 18 A HA 0.687 5.007 4.320 -0.001 0.000 0.290 18 A C -1.980 175.400 177.584 -0.339 0.000 1.071 18 A CA -0.698 51.160 52.037 -0.299 0.000 0.658 18 A CB 1.208 19.961 19.000 -0.412 0.000 1.285 18 A HN 0.132 nan 8.150 nan 0.000 0.427 19 M N 0.969 120.268 119.600 -0.501 0.000 2.259 19 M HA 0.740 5.219 4.480 -0.001 0.000 0.304 19 M C -2.159 173.887 176.300 -0.424 0.000 1.019 19 M CA -0.334 54.766 55.300 -0.333 0.000 0.922 19 M CB 0.887 33.346 32.600 -0.236 0.000 1.600 19 M HN 0.560 nan 8.290 nan 0.000 0.433 20 F N 2.775 122.748 119.950 0.037 0.000 2.450 20 F HA 0.927 5.454 4.527 -0.000 0.000 0.332 20 F C 0.747 176.623 175.800 0.128 0.000 1.093 20 F CA -0.282 57.779 58.000 0.101 0.000 1.003 20 F CB 2.128 41.186 39.000 0.098 0.000 1.151 20 F HN 0.672 nan 8.300 nan 0.000 0.474 21 G N 1.924 110.959 108.800 0.393 0.000 2.451 21 G HA2 0.625 4.585 3.960 -0.001 0.000 0.292 21 G HA3 0.625 4.585 3.960 -0.001 0.000 0.292 21 G C -2.139 173.028 174.900 0.445 0.000 1.427 21 G CA -0.741 44.637 45.100 0.465 0.000 0.792 21 G HN 0.528 nan 8.290 nan 0.000 0.498 22 I N 2.107 122.889 120.570 0.354 0.000 2.512 22 I HA 0.371 4.541 4.170 -0.001 0.000 0.287 22 I C -2.244 173.757 176.117 -0.194 0.000 1.069 22 I CA -1.971 59.374 61.300 0.075 0.000 1.056 22 I CB 3.295 41.351 38.000 0.093 0.000 1.229 22 I HN 0.299 nan 8.210 nan 0.000 0.429 23 P HA 0.478 nan 4.420 nan 0.000 0.279 23 P C -0.479 176.669 177.300 -0.254 0.000 1.276 23 P CA -0.171 62.413 63.100 -0.860 0.000 0.801 23 P CB 1.737 32.758 31.700 -1.131 0.000 1.127 24 G N -0.666 108.069 108.800 -0.108 0.000 2.646 24 G HA2 0.275 4.234 3.960 -0.001 0.000 0.291 24 G HA3 0.275 4.234 3.960 -0.001 0.000 0.291 24 G C 0.363 175.317 174.900 0.089 0.000 1.445 24 G CA -0.369 44.778 45.100 0.078 0.000 0.814 24 G HN 0.473 nan 8.290 nan 0.000 0.495 25 D N -0.205 120.239 120.400 0.073 0.000 2.133 25 D HA -0.191 4.449 4.640 -0.001 0.000 0.195 25 D C 1.643 177.919 176.300 -0.039 0.000 0.997 25 D CA 1.406 55.379 54.000 -0.045 0.000 0.840 25 D CB -0.221 40.484 40.800 -0.159 0.000 0.947 25 D HN 0.248 nan 8.370 nan 0.000 0.452 26 F N 1.344 121.389 119.950 0.157 0.000 2.333 26 F HA 0.104 4.631 4.527 0.000 0.000 0.300 26 F C 2.722 178.592 175.800 0.116 0.000 1.083 26 F CA 1.071 59.134 58.000 0.105 0.000 1.395 26 F CB -0.301 38.753 39.000 0.090 0.000 1.056 26 F HN 0.136 nan 8.300 nan 0.000 0.529 27 A N -0.914 122.100 122.820 0.322 0.000 2.303 27 A HA 0.213 4.532 4.320 -0.001 0.000 0.217 27 A C 2.009 179.826 177.584 0.388 0.000 1.205 27 A CA -0.090 52.167 52.037 0.367 0.000 0.875 27 A CB -0.585 18.669 19.000 0.422 0.000 0.910 27 A HN 0.307 nan 8.150 nan 0.000 0.501 28 L N 0.005 121.348 121.223 0.201 0.000 2.021 28 L HA -0.183 4.156 4.340 -0.001 0.000 0.215 28 L C -0.481 176.511 176.870 0.204 0.000 1.074 28 L CA 1.947 56.879 54.840 0.154 0.000 0.760 28 L CB -1.394 40.700 42.059 0.059 0.000 0.889 28 L HN 0.234 nan 8.230 nan 0.000 0.433 29 P HA -0.227 nan 4.420 nan 0.000 0.215 29 P C 1.523 178.932 177.300 0.182 0.000 1.153 29 P CA 1.420 64.611 63.100 0.152 0.000 0.853 29 P CB -0.063 31.720 31.700 0.137 0.000 0.788 30 F N -1.012 119.015 119.950 0.129 0.000 2.146 30 F HA -0.130 4.397 4.527 0.000 0.000 0.298 30 F C 1.942 177.777 175.800 0.059 0.000 1.096 30 F CA 1.354 59.399 58.000 0.076 0.000 1.275 30 F CB -0.864 38.176 39.000 0.068 0.000 1.008 30 F HN -0.228 nan 8.300 nan 0.000 0.480 31 F N 1.029 120.963 119.950 -0.025 0.000 2.216 31 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 31 F C 2.538 178.243 175.800 -0.158 0.000 1.085 31 F CA 1.776 59.706 58.000 -0.117 0.000 1.326 31 F CB -0.791 38.223 39.000 0.022 0.000 1.027 31 F HN -0.061 nan 8.300 nan 0.000 0.497 32 K N 0.289 120.737 120.400 0.079 0.000 2.063 32 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 32 K C 2.032 178.581 176.600 -0.085 0.000 1.048 32 K CA 1.622 57.915 56.287 0.010 0.000 0.928 32 K CB -0.345 32.171 32.500 0.027 0.000 0.713 32 K HN 0.115 nan 8.250 nan 0.000 0.442 33 V N 1.187 121.005 119.914 -0.160 0.000 2.358 33 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 33 V C 2.421 178.335 176.094 -0.301 0.000 1.047 33 V CA 1.874 64.047 62.300 -0.211 0.000 1.035 33 V CB -0.511 31.177 31.823 -0.225 0.000 0.658 33 V HN 0.505 nan 8.190 nan 0.000 0.452 34 A N -0.466 122.064 122.820 -0.484 0.000 1.902 34 A HA -0.270 4.050 4.320 -0.001 0.000 0.217 34 A C 2.284 179.705 177.584 -0.271 0.000 1.181 34 A CA 2.050 53.803 52.037 -0.473 0.000 0.623 34 A CB -0.433 18.154 19.000 -0.690 0.000 0.818 34 A HN 0.631 nan 8.150 nan 0.000 0.443 35 E N -0.210 119.877 120.200 -0.188 0.000 2.072 35 E HA -0.165 4.185 4.350 -0.001 0.000 0.190 35 E C 1.875 178.421 176.600 -0.090 0.000 0.982 35 E CA 1.077 57.413 56.400 -0.107 0.000 0.803 35 E CB -0.096 29.582 29.700 -0.037 0.000 0.755 35 E HN 0.743 nan 8.360 nan 0.000 0.453 36 E N -0.202 119.946 120.200 -0.086 0.000 2.107 36 E HA -0.125 4.224 4.350 -0.001 0.000 0.191 36 E C 2.214 178.769 176.600 -0.074 0.000 0.982 36 E CA 1.598 57.959 56.400 -0.066 0.000 0.809 36 E CB -0.037 29.632 29.700 -0.053 0.000 0.756 36 E HN 0.396 nan 8.360 nan 0.000 0.459 37 T N -1.671 112.823 114.554 -0.099 0.000 2.978 37 T HA -0.098 4.252 4.350 -0.001 0.000 0.262 37 T C 1.076 175.719 174.700 -0.095 0.000 1.063 37 T CA 0.302 62.347 62.100 -0.091 0.000 1.140 37 T CB 0.151 68.956 68.868 -0.105 0.000 0.886 37 T HN -0.106 nan 8.240 nan 0.000 0.470 38 Q N -0.164 119.565 119.800 -0.119 0.000 2.480 38 Q HA -0.179 4.160 4.340 -0.001 0.000 0.265 38 Q C 1.091 177.021 176.000 -0.117 0.000 1.072 38 Q CA 0.613 56.343 55.803 -0.121 0.000 1.018 38 Q CB -2.425 26.259 28.738 -0.090 0.000 1.433 38 Q HN 0.701 nan 8.270 nan 0.000 0.513 39 I N -0.670 119.827 120.570 -0.121 0.000 2.208 39 I HA -0.201 3.968 4.170 -0.001 0.000 0.245 39 I C 1.194 177.244 176.117 -0.111 0.000 1.097 39 I CA 1.259 62.499 61.300 -0.100 0.000 1.363 39 I CB 0.083 38.027 38.000 -0.094 0.000 1.051 39 I HN 0.110 nan 8.210 nan 0.000 0.413 40 L N 0.598 121.731 121.223 -0.151 0.000 2.362 40 L HA 0.404 4.743 4.340 -0.001 0.000 0.275 40 L C -2.432 174.289 176.870 -0.248 0.000 0.998 40 L CA -2.065 52.670 54.840 -0.176 0.000 0.820 40 L CB 1.538 43.492 42.059 -0.174 0.000 1.270 40 L HN -0.270 nan 8.230 nan 0.000 0.415 41 P HA -0.007 nan 4.420 nan 0.000 0.264 41 P C -0.822 176.104 177.300 -0.623 0.000 1.193 41 P CA -0.156 62.704 63.100 -0.400 0.000 0.763 41 P CB 0.488 31.957 31.700 -0.385 0.000 0.810 42 L N 6.059 126.982 121.223 -0.500 0.000 2.257 42 L HA 0.311 4.651 4.340 -0.001 0.000 0.290 42 L C -0.563 176.078 176.870 -0.381 0.000 1.044 42 L CA 0.015 54.600 54.840 -0.424 0.000 0.810 42 L CB -0.230 41.697 42.059 -0.221 0.000 1.193 42 L HN 0.386 nan 8.230 nan 0.000 0.425 43 H N 3.042 122.021 119.070 -0.152 0.000 2.539 43 H HA 0.476 5.032 4.556 -0.001 0.000 0.332 43 H C -0.183 175.222 175.328 0.127 0.000 1.031 43 H CA -0.507 55.523 56.048 -0.031 0.000 1.206 43 H CB 1.301 31.016 29.762 -0.079 0.000 1.446 43 H HN 0.656 nan 8.280 nan 0.000 0.496 44 T N 1.413 116.130 114.554 0.271 0.000 2.943 44 T HA 0.737 5.087 4.350 -0.001 0.000 0.284 44 T C 0.466 175.301 174.700 0.225 0.000 1.015 44 T CA -0.784 61.470 62.100 0.257 0.000 1.042 44 T CB 1.461 70.448 68.868 0.198 0.000 1.055 44 T HN 0.320 nan 8.240 nan 0.000 0.500 45 L N 0.187 121.530 121.223 0.200 0.000 2.171 45 L HA 0.487 4.827 4.340 -0.001 0.000 0.253 45 L C 1.266 178.214 176.870 0.131 0.000 1.054 45 L CA -1.121 53.810 54.840 0.152 0.000 0.927 45 L CB 1.689 43.832 42.059 0.140 0.000 1.513 45 L HN 0.738 nan 8.230 nan 0.000 0.471 46 S N -2.671 113.103 115.700 0.123 0.000 2.427 46 S HA 0.076 4.546 4.470 -0.001 0.000 0.224 46 S C 0.111 174.815 174.600 0.173 0.000 1.047 46 S CA 0.407 58.680 58.200 0.121 0.000 0.953 46 S CB 0.109 63.373 63.200 0.107 0.000 0.824 46 S HN 0.480 nan 8.310 nan 0.000 0.502 47 H N -0.006 119.103 119.070 0.064 0.000 2.679 47 H HA 0.257 4.813 4.556 -0.000 0.000 0.360 47 H C -0.051 175.304 175.328 0.044 0.000 1.105 47 H CA -0.513 55.569 56.048 0.058 0.000 1.196 47 H CB 1.475 31.280 29.762 0.071 0.000 1.636 47 H HN -0.065 nan 8.280 nan 0.000 0.531 48 E N 3.050 123.266 120.200 0.027 0.000 2.171 48 E HA -0.150 4.199 4.350 -0.001 0.000 0.197 48 E C -1.309 175.192 176.600 -0.164 0.000 0.997 48 E CA 1.480 57.846 56.400 -0.057 0.000 0.810 48 E CB -0.708 28.962 29.700 -0.051 0.000 0.738 48 E HN 0.567 nan 8.360 nan 0.000 0.467 49 P HA -0.197 nan 4.420 nan 0.000 0.215 49 P C 1.008 178.137 177.300 -0.285 0.000 1.153 49 P CA 2.012 64.903 63.100 -0.349 0.000 0.853 49 P CB -0.013 31.542 31.700 -0.240 0.000 0.788 50 A N -0.828 121.972 122.820 -0.033 0.000 1.972 50 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 50 A C 2.300 179.851 177.584 -0.056 0.000 1.169 50 A CA 1.537 53.601 52.037 0.044 0.000 0.635 50 A CB -1.674 17.354 19.000 0.047 0.000 0.810 50 A HN 0.014 nan 8.150 nan 0.000 0.446 51 V N -0.083 119.805 119.914 -0.042 0.000 2.287 51 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 51 V C 2.830 178.872 176.094 -0.087 0.000 1.053 51 V CA 2.111 64.406 62.300 -0.008 0.000 1.027 51 V CB -1.448 30.426 31.823 0.084 0.000 0.646 51 V HN 0.599 nan 8.190 nan 0.000 0.447 52 G N -0.955 107.759 108.800 -0.144 0.000 2.433 52 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 52 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 52 G C 1.579 176.389 174.900 -0.150 0.000 1.186 52 G CA 0.892 45.889 45.100 -0.171 0.000 0.779 52 G HN 0.475 nan 8.290 nan 0.000 0.543 53 F N 1.614 121.490 119.950 -0.124 0.000 2.126 53 F HA -0.088 4.439 4.527 -0.001 0.000 0.299 53 F C 3.151 178.726 175.800 -0.374 0.000 1.096 53 F CA 0.633 58.510 58.000 -0.205 0.000 1.255 53 F CB 0.002 38.840 39.000 -0.270 0.000 0.997 53 F HN 0.260 nan 8.300 nan 0.000 0.479 54 A N 0.033 122.683 122.820 -0.284 0.000 1.930 54 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 54 A C 2.332 179.472 177.584 -0.739 0.000 1.175 54 A CA 1.456 53.094 52.037 -0.665 0.000 0.627 54 A CB -1.100 17.282 19.000 -1.030 0.000 0.815 54 A HN 0.316 nan 8.150 nan 0.000 0.443 55 A N 0.088 122.631 122.820 -0.461 0.000 1.902 55 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 55 A C 1.914 179.499 177.584 0.002 0.000 1.181 55 A CA 2.078 54.079 52.037 -0.060 0.000 0.623 55 A CB -0.631 18.429 19.000 0.101 0.000 0.818 55 A HN 0.503 nan 8.150 nan 0.000 0.443 56 D N 0.154 120.553 120.400 -0.002 0.000 2.123 56 D HA -0.096 4.544 4.640 -0.001 0.000 0.196 56 D C 2.030 178.377 176.300 0.080 0.000 0.992 56 D CA 1.784 55.834 54.000 0.083 0.000 0.833 56 D CB -0.285 40.631 40.800 0.194 0.000 0.954 56 D HN 0.324 nan 8.370 nan 0.000 0.455 57 A N 0.580 123.384 122.820 -0.028 0.000 1.898 57 A HA 0.110 4.430 4.320 -0.001 0.000 0.216 57 A C 2.428 180.043 177.584 0.053 0.000 1.181 57 A CA 2.172 54.192 52.037 -0.028 0.000 0.620 57 A CB -0.945 17.917 19.000 -0.229 0.000 0.819 57 A HN 0.311 nan 8.150 nan 0.000 0.442 58 A N -0.042 122.801 122.820 0.038 0.000 1.940 58 A HA 0.118 4.438 4.320 -0.001 0.000 0.219 58 A C 2.470 180.161 177.584 0.177 0.000 1.176 58 A CA 2.160 54.292 52.037 0.159 0.000 0.631 58 A CB -0.926 18.271 19.000 0.328 0.000 0.814 58 A HN 1.020 nan 8.150 nan 0.000 0.446 59 A N -0.266 122.632 122.820 0.130 0.000 1.898 59 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 59 A C 2.248 179.879 177.584 0.079 0.000 1.181 59 A CA 1.370 53.463 52.037 0.094 0.000 0.620 59 A CB -0.418 18.621 19.000 0.065 0.000 0.819 59 A HN 0.550 nan 8.150 nan 0.000 0.442 60 R N -2.271 118.287 120.500 0.096 0.000 2.092 60 R HA -0.113 4.226 4.340 -0.001 0.000 0.231 60 R C 2.129 178.479 176.300 0.083 0.000 1.119 60 R CA 1.519 57.665 56.100 0.076 0.000 0.970 60 R CB -0.515 29.852 30.300 0.111 0.000 0.864 60 R HN 0.669 nan 8.270 nan 0.000 0.440 61 Y N 1.143 121.453 120.300 0.017 0.000 2.145 61 Y HA -0.186 4.364 4.550 -0.001 0.000 0.286 61 Y C 1.806 177.713 175.900 0.012 0.000 1.145 61 Y CA 1.778 59.886 58.100 0.014 0.000 1.148 61 Y CB 0.199 38.670 38.460 0.019 0.000 0.981 61 Y HN -0.106 nan 8.280 nan 0.000 0.507 62 S N -0.930 114.864 115.700 0.157 0.000 2.554 62 S HA 0.108 4.577 4.470 -0.001 0.000 0.226 62 S C 0.356 174.963 174.600 0.012 0.000 0.980 62 S CA 0.499 58.741 58.200 0.070 0.000 0.939 62 S CB 0.082 63.377 63.200 0.159 0.000 0.832 62 S HN 0.354 nan 8.310 nan 0.000 0.486 63 S N 1.658 117.355 115.700 -0.004 0.000 3.608 63 S HA -0.135 4.335 4.470 -0.001 0.000 0.382 63 S C 0.053 174.639 174.600 -0.024 0.000 0.945 63 S CA 1.010 59.188 58.200 -0.037 0.000 1.256 63 S CB -1.506 61.662 63.200 -0.053 0.000 0.913 63 S HN 0.720 nan 8.310 nan 0.000 0.518 64 T N -0.616 113.938 114.554 -0.002 0.000 2.618 64 T HA 0.671 5.021 4.350 -0.001 0.000 0.293 64 T C -0.849 173.856 174.700 0.009 0.000 1.093 64 T CA -0.869 61.233 62.100 0.004 0.000 1.061 64 T CB 0.664 69.548 68.868 0.026 0.000 1.498 64 T HN 0.234 nan 8.240 nan 0.000 0.494 65 L N 1.538 122.771 121.223 0.016 0.000 2.371 65 L HA 0.603 4.943 4.340 -0.001 0.000 0.272 65 L C 1.049 177.953 176.870 0.056 0.000 1.124 65 L CA -0.587 54.267 54.840 0.023 0.000 0.816 65 L CB 0.752 42.820 42.059 0.015 0.000 1.129 65 L HN 0.774 nan 8.230 nan 0.000 0.448 66 G N 1.918 110.761 108.800 0.071 0.000 2.417 66 G HA2 0.594 4.554 3.960 -0.001 0.000 0.334 66 G HA3 0.594 4.554 3.960 -0.001 0.000 0.334 66 G C -1.088 173.883 174.900 0.118 0.000 1.150 66 G CA -0.354 44.821 45.100 0.124 0.000 0.923 66 G HN 0.322 nan 8.290 nan 0.000 0.485 67 V N 0.652 120.669 119.914 0.171 0.000 2.483 67 V HA 0.706 4.826 4.120 -0.001 0.000 0.297 67 V C 0.081 176.291 176.094 0.192 0.000 1.027 67 V CA -0.821 61.554 62.300 0.126 0.000 0.855 67 V CB 1.255 33.113 31.823 0.057 0.000 0.995 67 V HN 1.116 nan 8.190 nan 0.000 0.424 68 A N 3.947 126.848 122.820 0.135 0.000 2.311 68 A HA 0.921 5.240 4.320 -0.001 0.000 0.306 68 A C -0.086 177.558 177.584 0.100 0.000 1.189 68 A CA -0.326 51.802 52.037 0.151 0.000 0.791 68 A CB 1.255 20.322 19.000 0.111 0.000 1.172 68 A HN 1.303 nan 8.150 nan 0.000 0.481 69 A N 2.425 125.332 122.820 0.144 0.000 2.303 69 A HA 0.772 5.091 4.320 -0.001 0.000 0.320 69 A C -0.014 177.763 177.584 0.322 0.000 1.192 69 A CA -0.145 51.984 52.037 0.153 0.000 0.821 69 A CB 0.627 19.664 19.000 0.061 0.000 1.188 69 A HN 2.105 nan 8.150 nan 0.000 0.492 70 V N -0.487 119.565 119.914 0.229 0.000 3.167 70 V HA 0.844 4.964 4.120 -0.001 0.000 0.310 70 V C 0.048 176.253 176.094 0.185 0.000 1.207 70 V CA -0.478 61.949 62.300 0.212 0.000 1.059 70 V CB 1.144 33.023 31.823 0.093 0.000 1.079 70 V HN 0.835 nan 8.190 nan 0.000 0.446 71 T N -0.241 114.397 114.554 0.140 0.000 2.881 71 T HA 0.478 4.828 4.350 -0.001 0.000 0.278 71 T C -0.795 173.986 174.700 0.134 0.000 0.982 71 T CA -0.154 62.059 62.100 0.189 0.000 0.989 71 T CB 0.645 69.650 68.868 0.228 0.000 1.058 71 T HN 0.822 nan 8.240 nan 0.000 0.529 72 Y N 1.839 122.161 120.300 0.037 0.000 2.610 72 Y HA 0.342 4.892 4.550 -0.000 0.000 0.332 72 Y C 1.305 177.114 175.900 -0.153 0.000 1.201 72 Y CA 1.309 59.322 58.100 -0.146 0.000 1.465 72 Y CB -0.324 37.881 38.460 -0.426 0.000 1.283 72 Y HN 0.996 nan 8.280 nan 0.000 0.563 73 G N 4.185 112.572 108.800 -0.689 0.000 3.729 73 G HA2 -0.456 3.504 3.960 -0.001 0.000 0.327 73 G HA3 -0.456 3.504 3.960 -0.001 0.000 0.327 73 G C 1.405 176.161 174.900 -0.241 0.000 1.293 73 G CA 1.227 45.990 45.100 -0.562 0.000 1.011 73 G HN 1.550 nan 8.290 nan 0.000 0.673 74 A N 0.384 122.990 122.820 -0.356 0.000 1.997 74 A HA 0.165 4.484 4.320 -0.001 0.000 0.221 74 A C 2.853 180.373 177.584 -0.107 0.000 1.172 74 A CA 3.038 54.935 52.037 -0.232 0.000 0.645 74 A CB -1.101 17.631 19.000 -0.446 0.000 0.813 74 A HN 1.994 nan 8.150 nan 0.000 0.454 75 G N -1.270 107.450 108.800 -0.133 0.000 2.439 75 G HA2 0.184 4.143 3.960 -0.001 0.000 0.212 75 G HA3 0.184 4.143 3.960 -0.001 0.000 0.212 75 G C 1.797 176.683 174.900 -0.024 0.000 1.199 75 G CA 1.084 46.163 45.100 -0.036 0.000 0.807 75 G HN 0.777 nan 8.290 nan 0.000 0.537 76 A N 0.627 123.391 122.820 -0.093 0.000 1.883 76 A HA 0.050 4.370 4.320 -0.001 0.000 0.217 76 A C 2.154 179.812 177.584 0.123 0.000 1.186 76 A CA 1.600 53.600 52.037 -0.062 0.000 0.624 76 A CB -0.690 18.116 19.000 -0.324 0.000 0.822 76 A HN 0.264 nan 8.150 nan 0.000 0.444 77 F N 0.136 120.138 119.950 0.088 0.000 2.333 77 F HA -0.076 4.451 4.527 0.000 0.000 0.300 77 F C 1.983 177.758 175.800 -0.042 0.000 1.083 77 F CA 1.216 59.224 58.000 0.013 0.000 1.395 77 F CB -0.695 38.276 39.000 -0.048 0.000 1.056 77 F HN 0.248 nan 8.300 nan 0.000 0.529 78 N N -0.414 118.359 118.700 0.123 0.000 2.521 78 N HA -0.052 4.688 4.740 -0.001 0.000 0.188 78 N C 1.331 176.797 175.510 -0.074 0.000 1.146 78 N CA 0.479 53.528 53.050 -0.001 0.000 0.893 78 N CB -0.185 38.283 38.487 -0.032 0.000 0.975 78 N HN 0.279 nan 8.380 nan 0.000 0.451 79 M N -1.122 118.472 119.600 -0.010 0.000 2.306 79 M HA 0.158 4.637 4.480 -0.001 0.000 0.292 79 M C 0.831 177.078 176.300 -0.087 0.000 1.018 79 M CA 0.004 55.267 55.300 -0.061 0.000 1.007 79 M CB 0.609 33.222 32.600 0.022 0.000 1.510 79 M HN -0.159 nan 8.290 nan 0.000 0.537 80 V N 1.288 121.138 119.914 -0.107 0.000 2.324 80 V HA -0.317 3.803 4.120 -0.001 0.000 0.250 80 V C 1.929 177.892 176.094 -0.217 0.000 1.060 80 V CA 2.365 64.506 62.300 -0.266 0.000 1.042 80 V CB -0.883 30.788 31.823 -0.254 0.000 0.650 80 V HN 0.623 nan 8.190 nan 0.000 0.450 81 N N 0.346 118.956 118.700 -0.151 0.000 2.142 81 N HA -0.104 4.635 4.740 -0.001 0.000 0.186 81 N C 1.707 177.127 175.510 -0.150 0.000 1.023 81 N CA 1.580 54.582 53.050 -0.080 0.000 0.852 81 N CB -0.315 38.176 38.487 0.007 0.000 0.998 81 N HN 0.405 nan 8.380 nan 0.000 0.424 82 A N -0.266 122.362 122.820 -0.321 0.000 1.969 82 A HA -0.004 4.315 4.320 -0.001 0.000 0.218 82 A C 2.308 179.758 177.584 -0.224 0.000 1.169 82 A CA 1.260 53.024 52.037 -0.455 0.000 0.635 82 A CB -0.613 17.831 19.000 -0.928 0.000 0.810 82 A HN 0.189 nan 8.150 nan 0.000 0.445 83 V N -0.302 119.499 119.914 -0.188 0.000 2.379 83 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 83 V C 3.020 179.023 176.094 -0.153 0.000 1.044 83 V CA 1.655 63.895 62.300 -0.100 0.000 1.036 83 V CB -1.087 30.721 31.823 -0.025 0.000 0.664 83 V HN 0.580 nan 8.190 nan 0.000 0.453 84 A N 0.645 123.297 122.820 -0.279 0.000 1.940 84 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 84 A C 2.376 179.582 177.584 -0.630 0.000 1.176 84 A CA 1.967 53.778 52.037 -0.376 0.000 0.631 84 A CB -1.092 17.690 19.000 -0.363 0.000 0.814 84 A HN 0.529 nan 8.150 nan 0.000 0.446 85 G N -0.699 107.588 108.800 -0.856 0.000 2.402 85 G HA2 0.066 4.026 3.960 -0.001 0.000 0.216 85 G HA3 0.066 4.026 3.960 -0.001 0.000 0.216 85 G C 1.708 176.445 174.900 -0.270 0.000 1.162 85 G CA 1.218 45.761 45.100 -0.929 0.000 0.777 85 G HN 0.773 nan 8.290 nan 0.000 0.539 86 A N -0.172 122.586 122.820 -0.103 0.000 1.969 86 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 86 A C 2.140 179.738 177.584 0.025 0.000 1.169 86 A CA 1.531 53.573 52.037 0.009 0.000 0.635 86 A CB -0.596 18.427 19.000 0.040 0.000 0.810 86 A HN 0.494 nan 8.150 nan 0.000 0.445 87 Y N 0.423 120.663 120.300 -0.099 0.000 2.200 87 Y HA -0.080 4.471 4.550 0.001 0.000 0.290 87 Y C 2.615 178.526 175.900 0.018 0.000 1.137 87 Y CA 1.440 59.514 58.100 -0.043 0.000 1.163 87 Y CB -0.268 38.150 38.460 -0.070 0.000 0.988 87 Y HN 0.315 nan 8.280 nan 0.000 0.518 88 A N 0.215 123.183 122.820 0.246 0.000 1.930 88 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 88 A C 1.708 179.508 177.584 0.359 0.000 1.175 88 A CA 1.800 54.023 52.037 0.311 0.000 0.627 88 A CB -0.499 18.507 19.000 0.009 0.000 0.815 88 A HN 0.648 nan 8.150 nan 0.000 0.443 89 E N -0.178 120.130 120.200 0.181 0.000 2.437 89 E HA 0.127 4.477 4.350 -0.001 0.000 0.195 89 E C -0.761 175.887 176.600 0.080 0.000 1.029 89 E CA -0.356 56.146 56.400 0.169 0.000 0.948 89 E CB 0.011 29.761 29.700 0.084 0.000 1.082 89 E HN 0.442 nan 8.360 nan 0.000 0.456 90 K N 1.058 121.477 120.400 0.033 0.000 3.451 90 K HA -0.167 4.152 4.320 -0.001 0.000 0.273 90 K C -0.429 176.117 176.600 -0.091 0.000 0.944 90 K CA 0.370 56.614 56.287 -0.071 0.000 0.734 90 K CB -1.561 30.902 32.500 -0.062 0.000 1.437 90 K HN 0.055 nan 8.250 nan 0.000 0.454 91 S N 1.317 116.985 115.700 -0.053 0.000 2.456 91 S HA 0.388 4.858 4.470 -0.001 0.000 0.316 91 S C -2.339 172.240 174.600 -0.035 0.000 1.089 91 S CA -1.670 56.509 58.200 -0.035 0.000 1.101 91 S CB 1.132 64.350 63.200 0.030 0.000 0.995 91 S HN 0.095 nan 8.310 nan 0.000 0.468 92 P HA 0.141 nan 4.420 nan 0.000 0.244 92 P C -0.653 176.654 177.300 0.011 0.000 1.769 92 P CA -0.160 62.921 63.100 -0.032 0.000 1.102 92 P CB 0.025 31.690 31.700 -0.059 0.000 1.937 93 V N 4.487 124.421 119.914 0.033 0.000 2.406 93 V HA 0.082 4.202 4.120 -0.001 0.000 0.272 93 V C 0.741 176.870 176.094 0.058 0.000 1.043 93 V CA -0.499 61.834 62.300 0.055 0.000 0.915 93 V CB 1.747 33.608 31.823 0.063 0.000 0.988 93 V HN 0.160 nan 8.190 nan 0.000 0.466 94 V N 6.778 126.722 119.914 0.049 0.000 2.389 94 V HA 0.208 4.327 4.120 -0.001 0.000 0.264 94 V C 0.182 176.290 176.094 0.022 0.000 1.049 94 V CA -0.376 61.941 62.300 0.029 0.000 0.932 94 V CB 1.277 33.105 31.823 0.008 0.000 1.011 94 V HN 0.594 nan 8.190 nan 0.000 0.475 95 V N 7.399 127.326 119.914 0.023 0.000 2.385 95 V HA 0.401 4.521 4.120 -0.001 0.000 0.269 95 V C 0.068 176.075 176.094 -0.144 0.000 1.043 95 V CA -0.136 62.163 62.300 -0.002 0.000 0.906 95 V CB 1.072 32.947 31.823 0.087 0.000 0.995 95 V HN 0.662 nan 8.190 nan 0.000 0.467 96 I N 4.368 124.835 120.570 -0.172 0.000 2.382 96 I HA 0.412 4.582 4.170 -0.001 0.000 0.285 96 I C 0.080 176.028 176.117 -0.281 0.000 1.007 96 I CA 0.068 61.177 61.300 -0.319 0.000 1.142 96 I CB 1.756 39.523 38.000 -0.390 0.000 1.289 96 I HN 0.586 nan 8.210 nan 0.000 0.453 97 S N 4.102 119.600 115.700 -0.337 0.000 2.482 97 S HA 0.735 5.205 4.470 -0.001 0.000 0.303 97 S C 0.072 174.578 174.600 -0.157 0.000 1.091 97 S CA -0.539 57.550 58.200 -0.184 0.000 1.057 97 S CB 1.487 64.603 63.200 -0.139 0.000 1.031 97 S HN 0.730 nan 8.310 nan 0.000 0.485 98 G N 1.924 110.718 108.800 -0.011 0.000 2.572 98 G HA2 0.649 4.609 3.960 -0.001 0.000 0.261 98 G HA3 0.649 4.609 3.960 -0.001 0.000 0.261 98 G C -0.288 174.585 174.900 -0.046 0.000 1.197 98 G CA 0.065 45.188 45.100 0.038 0.000 0.870 98 G HN 1.167 nan 8.290 nan 0.000 0.548 99 A N 1.389 124.098 122.820 -0.185 0.000 2.599 99 A HA 0.863 5.183 4.320 -0.001 0.000 0.290 99 A C -3.022 174.211 177.584 -0.584 0.000 1.101 99 A CA -1.242 50.384 52.037 -0.685 0.000 0.674 99 A CB 1.144 19.839 19.000 -0.508 0.000 1.277 99 A HN 0.511 nan 8.150 nan 0.000 0.419 100 P HA 0.311 nan 4.420 nan 0.000 0.269 100 P C 0.556 177.794 177.300 -0.102 0.000 1.215 100 P CA 0.520 63.461 63.100 -0.265 0.000 0.780 100 P CB 0.512 32.015 31.700 -0.328 0.000 0.898 101 G N 0.338 109.156 108.800 0.030 0.000 2.664 101 G HA2 0.135 4.094 3.960 -0.001 0.000 0.242 101 G HA3 0.135 4.094 3.960 -0.001 0.000 0.242 101 G C 1.208 176.093 174.900 -0.026 0.000 1.225 101 G CA 0.080 45.185 45.100 0.008 0.000 0.849 101 G HN 0.561 nan 8.290 nan 0.000 0.581 102 T N -2.719 111.820 114.554 -0.026 0.000 2.929 102 T HA -0.173 4.176 4.350 -0.001 0.000 0.271 102 T C 1.914 176.603 174.700 -0.019 0.000 1.085 102 T CA 1.940 64.021 62.100 -0.031 0.000 1.125 102 T CB -0.369 68.483 68.868 -0.026 0.000 0.874 102 T HN 0.714 nan 8.240 nan 0.000 0.494 103 T N -1.954 112.596 114.554 -0.005 0.000 3.054 103 T HA 0.329 4.678 4.350 -0.001 0.000 0.255 103 T C 0.320 175.026 174.700 0.010 0.000 1.035 103 T CA -0.584 61.517 62.100 0.002 0.000 0.941 103 T CB 0.055 68.926 68.868 0.006 0.000 1.026 103 T HN 0.463 nan 8.240 nan 0.000 0.533 104 E N 0.587 120.796 120.200 0.014 0.000 2.318 104 E HA 0.501 4.851 4.350 -0.001 0.000 0.265 104 E C 0.981 177.595 176.600 0.023 0.000 1.069 104 E CA -0.001 56.419 56.400 0.033 0.000 0.893 104 E CB 0.818 30.557 29.700 0.065 0.000 1.076 104 E HN 0.342 nan 8.360 nan 0.000 0.414 105 G N 1.908 110.732 108.800 0.041 0.000 2.176 105 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.253 105 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.253 105 G C 0.276 175.193 174.900 0.029 0.000 0.979 105 G CA -0.070 45.052 45.100 0.037 0.000 0.641 105 G HN 0.527 nan 8.290 nan 0.000 0.530 106 N N 0.233 118.947 118.700 0.025 0.000 2.328 106 N HA 0.478 5.218 4.740 -0.001 0.000 0.247 106 N C 1.287 176.810 175.510 0.021 0.000 1.165 106 N CA 0.583 53.644 53.050 0.019 0.000 0.873 106 N CB 0.950 39.444 38.487 0.012 0.000 1.125 106 N HN 0.618 nan 8.380 nan 0.000 0.513 107 A N -0.403 122.434 122.820 0.028 0.000 2.430 107 A HA 0.534 4.853 4.320 -0.001 0.000 0.243 107 A C 1.480 179.080 177.584 0.027 0.000 1.254 107 A CA 0.378 52.431 52.037 0.027 0.000 0.914 107 A CB 0.041 19.059 19.000 0.030 0.000 0.998 107 A HN 0.238 nan 8.150 nan 0.000 0.515 108 G N -1.022 107.795 108.800 0.029 0.000 2.176 108 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.253 108 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.253 108 G C 0.025 174.947 174.900 0.036 0.000 0.979 108 G CA 0.408 45.525 45.100 0.029 0.000 0.641 108 G HN 0.460 nan 8.290 nan 0.000 0.530 109 L N 0.545 121.795 121.223 0.044 0.000 2.334 109 L HA 0.659 4.998 4.340 -0.001 0.000 0.276 109 L C 0.829 177.742 176.870 0.071 0.000 1.014 109 L CA -1.181 53.693 54.840 0.055 0.000 0.815 109 L CB 1.639 43.733 42.059 0.058 0.000 1.268 109 L HN -0.001 nan 8.230 nan 0.000 0.428 110 L N 3.361 124.631 121.223 0.078 0.000 2.397 110 L HA 0.361 4.701 4.340 -0.001 0.000 0.271 110 L C -0.368 176.580 176.870 0.131 0.000 1.148 110 L CA -0.298 54.600 54.840 0.096 0.000 0.825 110 L CB 0.718 42.830 42.059 0.088 0.000 1.117 110 L HN 0.379 nan 8.230 nan 0.000 0.456 111 L N 2.828 124.147 121.223 0.160 0.000 2.295 111 L HA 0.334 4.674 4.340 -0.001 0.000 0.285 111 L C 0.224 177.230 176.870 0.227 0.000 1.035 111 L CA -1.065 53.908 54.840 0.222 0.000 0.806 111 L CB 0.991 43.186 42.059 0.227 0.000 1.214 111 L HN 0.620 nan 8.230 nan 0.000 0.426 112 H N 2.965 122.134 119.070 0.165 0.000 3.140 112 H HA -0.085 4.471 4.556 -0.000 0.000 0.316 112 H C 0.002 175.453 175.328 0.205 0.000 0.986 112 H CA 0.493 56.590 56.048 0.082 0.000 1.397 112 H CB 0.264 29.954 29.762 -0.120 0.000 1.377 112 H HN 0.801 nan 8.280 nan 0.000 0.585 113 H N -0.770 118.411 119.070 0.186 0.000 4.059 113 H HA -0.204 4.352 4.556 -0.001 0.000 0.139 113 H C 0.408 175.681 175.328 -0.092 0.000 0.756 113 H CA 1.036 57.127 56.048 0.071 0.000 1.257 113 H CB -1.313 28.502 29.762 0.088 0.000 0.775 113 H HN 0.905 nan 8.280 nan 0.000 0.511 114 Q N 1.482 121.372 119.800 0.149 0.000 2.417 114 Q HA 0.521 4.861 4.340 -0.001 0.000 0.241 114 Q C 1.072 177.136 176.000 0.108 0.000 1.008 114 Q CA 0.262 56.118 55.803 0.088 0.000 0.901 114 Q CB 1.314 30.194 28.738 0.236 0.000 1.259 114 Q HN 0.314 nan 8.270 nan 0.000 0.489 115 G N 0.471 109.348 108.800 0.128 0.000 2.543 115 G HA2 0.076 4.036 3.960 -0.001 0.000 0.267 115 G HA3 0.076 4.036 3.960 -0.001 0.000 0.267 115 G C 0.338 175.290 174.900 0.087 0.000 1.406 115 G CA -0.471 44.699 45.100 0.118 0.000 1.048 115 G HN 0.853 nan 8.290 nan 0.000 0.548 116 R N -0.984 119.549 120.500 0.054 0.000 2.113 116 R HA -0.102 4.237 4.340 -0.001 0.000 0.244 116 R C 1.255 177.594 176.300 0.066 0.000 1.142 116 R CA 2.083 58.211 56.100 0.046 0.000 0.953 116 R CB -0.579 29.737 30.300 0.028 0.000 0.860 116 R HN 0.616 nan 8.270 nan 0.000 0.438 117 T N -4.127 110.479 114.554 0.085 0.000 2.907 117 T HA 0.304 4.653 4.350 -0.001 0.000 0.290 117 T C 1.195 175.974 174.700 0.132 0.000 1.066 117 T CA -0.921 61.233 62.100 0.091 0.000 1.012 117 T CB 1.385 70.298 68.868 0.074 0.000 1.184 117 T HN 0.055 nan 8.240 nan 0.000 0.522 118 L N -0.065 121.236 121.223 0.129 0.000 2.191 118 L HA 0.020 4.360 4.340 -0.001 0.000 0.212 118 L C 1.967 178.965 176.870 0.213 0.000 1.103 118 L CA 1.460 56.411 54.840 0.186 0.000 0.769 118 L CB -0.443 41.667 42.059 0.085 0.000 0.908 118 L HN 0.769 nan 8.230 nan 0.000 0.438 119 D N -1.170 119.319 120.400 0.147 0.000 2.340 119 D HA -0.070 4.569 4.640 -0.001 0.000 0.220 119 D C 1.885 178.317 176.300 0.220 0.000 1.039 119 D CA 0.365 54.462 54.000 0.161 0.000 0.866 119 D CB 0.344 41.185 40.800 0.069 0.000 0.913 119 D HN 0.031 nan 8.370 nan 0.000 0.523 120 T N -0.275 114.400 114.554 0.202 0.000 2.699 120 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 120 T C 1.731 176.609 174.700 0.297 0.000 1.036 120 T CA 1.393 63.623 62.100 0.216 0.000 1.147 120 T CB -0.197 68.786 68.868 0.192 0.000 0.862 120 T HN 0.305 nan 8.240 nan 0.000 0.446 121 Q N -0.373 119.601 119.800 0.290 0.000 2.050 121 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 121 Q C 2.090 178.180 176.000 0.150 0.000 0.980 121 Q CA 1.519 57.404 55.803 0.137 0.000 0.840 121 Q CB -0.346 28.233 28.738 -0.265 0.000 0.898 121 Q HN 0.568 nan 8.270 nan 0.000 0.424 122 F N 1.123 121.125 119.950 0.086 0.000 2.091 122 F HA -0.298 4.228 4.527 -0.002 0.000 0.299 122 F C 2.384 178.219 175.800 0.057 0.000 1.103 122 F CA 1.735 59.790 58.000 0.093 0.000 1.228 122 F CB -0.053 39.050 39.000 0.171 0.000 0.984 122 F HN 0.169 nan 8.300 nan 0.000 0.477 123 Q N 0.034 120.031 119.800 0.329 0.000 2.096 123 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 123 Q C 2.547 178.584 176.000 0.062 0.000 0.982 123 Q CA 1.736 57.660 55.803 0.203 0.000 0.850 123 Q CB -1.097 27.745 28.738 0.173 0.000 0.901 123 Q HN 0.395 nan 8.270 nan 0.000 0.422 124 V N 0.267 120.223 119.914 0.070 0.000 2.295 124 V HA -0.217 3.903 4.120 -0.001 0.000 0.246 124 V C 2.003 177.966 176.094 -0.219 0.000 1.049 124 V CA 1.569 63.850 62.300 -0.032 0.000 1.024 124 V CB -0.651 31.238 31.823 0.111 0.000 0.648 124 V HN 0.180 nan 8.190 nan 0.000 0.447 125 F N 0.423 120.157 119.950 -0.359 0.000 2.451 125 F HA -0.075 4.452 4.527 0.001 0.000 0.299 125 F C 2.236 177.808 175.800 -0.379 0.000 1.101 125 F CA 1.158 58.854 58.000 -0.507 0.000 1.436 125 F CB -0.408 37.931 39.000 -1.100 0.000 1.074 125 F HN 0.090 nan 8.300 nan 0.000 0.553 126 K N -0.030 120.257 120.400 -0.187 0.000 2.147 126 K HA -0.160 4.160 4.320 -0.001 0.000 0.205 126 K C 1.745 178.290 176.600 -0.092 0.000 1.049 126 K CA 1.170 57.391 56.287 -0.110 0.000 0.936 126 K CB -0.153 32.332 32.500 -0.024 0.000 0.722 126 K HN 0.187 nan 8.250 nan 0.000 0.446 127 E N 0.591 120.705 120.200 -0.145 0.000 2.347 127 E HA -0.111 4.239 4.350 -0.001 0.000 0.196 127 E C 1.563 177.978 176.600 -0.309 0.000 1.008 127 E CA 0.889 57.177 56.400 -0.188 0.000 0.852 127 E CB 0.111 29.699 29.700 -0.187 0.000 0.783 127 E HN 0.547 nan 8.360 nan 0.000 0.505 128 I N -1.975 118.413 120.570 -0.302 0.000 3.817 128 I HA 0.251 4.420 4.170 -0.001 0.000 0.325 128 I C -0.049 176.044 176.117 -0.039 0.000 1.550 128 I CA -0.436 60.650 61.300 -0.357 0.000 1.100 128 I CB 0.633 38.409 38.000 -0.374 0.000 1.216 128 I HN -0.234 nan 8.210 nan 0.000 0.481 129 T N -1.950 112.657 114.554 0.087 0.000 2.883 129 T HA 0.437 4.787 4.350 -0.001 0.000 0.301 129 T C 0.577 175.444 174.700 0.277 0.000 1.158 129 T CA -0.072 62.180 62.100 0.254 0.000 1.007 129 T CB 2.031 71.011 68.868 0.187 0.000 1.186 129 T HN 0.037 nan 8.240 nan 0.000 0.499 130 V N -1.883 118.176 119.914 0.241 0.000 3.608 130 V HA 0.733 4.853 4.120 -0.001 0.000 0.269 130 V C 0.686 176.876 176.094 0.160 0.000 1.245 130 V CA 0.552 62.973 62.300 0.202 0.000 1.138 130 V CB -1.027 30.879 31.823 0.138 0.000 0.841 130 V HN 1.346 nan 8.190 nan 0.000 0.451 131 A N -0.117 122.787 122.820 0.140 0.000 2.605 131 A HA 0.857 5.176 4.320 -0.001 0.000 0.294 131 A C -1.475 176.175 177.584 0.110 0.000 1.062 131 A CA -0.690 51.423 52.037 0.126 0.000 0.682 131 A CB 1.872 20.949 19.000 0.129 0.000 1.278 131 A HN 0.360 nan 8.150 nan 0.000 0.410 132 Q N -0.759 119.110 119.800 0.114 0.000 2.462 132 Q HA 0.860 5.200 4.340 -0.001 0.000 0.285 132 Q C -0.813 175.307 176.000 0.200 0.000 1.035 132 Q CA 0.042 55.905 55.803 0.101 0.000 0.799 132 Q CB 2.391 31.069 28.738 -0.100 0.000 1.452 132 Q HN 2.057 nan 8.270 nan 0.000 0.404 133 A N 0.913 123.846 122.820 0.187 0.000 2.577 133 A HA 0.737 5.057 4.320 -0.001 0.000 0.297 133 A C -1.706 175.970 177.584 0.154 0.000 1.060 133 A CA -0.715 51.444 52.037 0.204 0.000 0.697 133 A CB 1.565 20.609 19.000 0.072 0.000 1.281 133 A HN 0.573 nan 8.150 nan 0.000 0.402 134 R N 2.802 123.394 120.500 0.153 0.000 2.229 134 R HA 0.561 4.901 4.340 -0.001 0.000 0.332 134 R C -1.162 175.122 176.300 -0.027 0.000 0.989 134 R CA -0.622 55.501 56.100 0.039 0.000 0.842 134 R CB 0.390 30.677 30.300 -0.023 0.000 1.119 134 R HN 0.684 nan 8.270 nan 0.000 0.456 135 L N 5.882 127.067 121.223 -0.064 0.000 2.423 135 L HA 0.154 4.494 4.340 -0.001 0.000 0.249 135 L C 0.108 176.948 176.870 -0.050 0.000 1.276 135 L CA -0.155 54.651 54.840 -0.056 0.000 1.199 135 L CB 0.045 42.059 42.059 -0.073 0.000 1.407 135 L HN 0.712 nan 8.230 nan 0.000 0.410 136 D N -1.610 118.763 120.400 -0.044 0.000 2.424 136 D HA 0.045 4.685 4.640 -0.001 0.000 0.220 136 D C 0.082 176.365 176.300 -0.028 0.000 1.150 136 D CA -0.160 53.816 54.000 -0.041 0.000 0.831 136 D CB 0.416 41.184 40.800 -0.054 0.000 0.981 136 D HN 0.138 nan 8.370 nan 0.000 0.500 137 D N 0.329 120.715 120.400 -0.022 0.000 2.375 137 D HA 0.188 4.828 4.640 -0.001 0.000 0.241 137 D C -2.089 174.206 176.300 -0.008 0.000 1.361 137 D CA -1.726 52.265 54.000 -0.014 0.000 0.995 137 D CB 2.289 43.080 40.800 -0.015 0.000 1.312 137 D HN -0.265 nan 8.370 nan 0.000 0.576 138 P HA -0.158 nan 4.420 nan 0.000 0.217 138 P C 1.200 178.501 177.300 0.002 0.000 1.151 138 P CA 1.709 64.813 63.100 0.006 0.000 0.849 138 P CB 0.339 32.052 31.700 0.021 0.000 0.787 139 A N -0.362 122.460 122.820 0.003 0.000 1.940 139 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 139 A C 2.076 179.656 177.584 -0.008 0.000 1.176 139 A CA 1.689 53.726 52.037 -0.000 0.000 0.631 139 A CB -0.754 18.248 19.000 0.004 0.000 0.814 139 A HN 0.110 nan 8.150 nan 0.000 0.446 140 K N -0.781 119.614 120.400 -0.007 0.000 2.284 140 K HA 0.247 4.566 4.320 -0.001 0.000 0.198 140 K C 2.233 178.827 176.600 -0.009 0.000 1.048 140 K CA 0.820 57.102 56.287 -0.007 0.000 0.987 140 K CB -0.468 32.029 32.500 -0.006 0.000 0.800 140 K HN 0.389 nan 8.250 nan 0.000 0.486 141 A N 2.847 125.660 122.820 -0.012 0.000 1.909 141 A HA -0.199 4.121 4.320 -0.001 0.000 0.221 141 A C -0.555 177.020 177.584 -0.013 0.000 1.223 141 A CA 1.930 53.958 52.037 -0.014 0.000 0.658 141 A CB -1.724 17.267 19.000 -0.015 0.000 0.831 141 A HN 0.170 nan 8.150 nan 0.000 0.462 142 P HA -0.108 nan 4.420 nan 0.000 0.215 142 P C 1.743 179.039 177.300 -0.007 0.000 1.153 142 P CA 1.985 65.074 63.100 -0.017 0.000 0.853 142 P CB -0.137 31.545 31.700 -0.031 0.000 0.788 143 A N -0.222 122.595 122.820 -0.005 0.000 1.898 143 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 143 A C 2.198 179.790 177.584 0.014 0.000 1.181 143 A CA 1.378 53.418 52.037 0.005 0.000 0.620 143 A CB -1.077 17.925 19.000 0.004 0.000 0.819 143 A HN 0.044 nan 8.150 nan 0.000 0.442 144 E N 0.205 120.411 120.200 0.010 0.000 2.058 144 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 144 E C 2.007 178.617 176.600 0.016 0.000 0.997 144 E CA 1.221 57.632 56.400 0.018 0.000 0.801 144 E CB -0.497 29.210 29.700 0.011 0.000 0.746 144 E HN 0.716 nan 8.360 nan 0.000 0.450 145 I N 1.111 121.682 120.570 0.002 0.000 2.127 145 I HA -0.307 3.863 4.170 -0.001 0.000 0.241 145 I C 2.505 178.629 176.117 0.013 0.000 1.075 145 I CA 1.359 62.657 61.300 -0.003 0.000 1.334 145 I CB -0.408 37.586 38.000 -0.010 0.000 1.040 145 I HN 0.020 nan 8.210 nan 0.000 0.405 146 A N 0.517 123.348 122.820 0.018 0.000 1.933 146 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 146 A C 2.438 180.054 177.584 0.053 0.000 1.175 146 A CA 1.763 53.818 52.037 0.030 0.000 0.628 146 A CB -0.650 18.366 19.000 0.027 0.000 0.814 146 A HN 0.391 nan 8.150 nan 0.000 0.444 147 R N -0.377 120.158 120.500 0.057 0.000 2.066 147 R HA -0.084 4.256 4.340 -0.001 0.000 0.232 147 R C 1.913 178.273 176.300 0.101 0.000 1.131 147 R CA 1.843 57.994 56.100 0.086 0.000 0.955 147 R CB -0.405 29.937 30.300 0.070 0.000 0.851 147 R HN 0.286 nan 8.270 nan 0.000 0.432 148 V N 1.537 121.494 119.914 0.071 0.000 2.307 148 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 148 V C 2.394 178.522 176.094 0.058 0.000 1.045 148 V CA 1.640 63.980 62.300 0.068 0.000 1.024 148 V CB -0.387 31.458 31.823 0.037 0.000 0.651 148 V HN 0.348 nan 8.190 nan 0.000 0.449 149 L N 0.373 121.618 121.223 0.037 0.000 2.141 149 L HA -0.044 4.296 4.340 -0.001 0.000 0.209 149 L C 2.620 179.505 176.870 0.025 0.000 1.094 149 L CA 1.510 56.364 54.840 0.023 0.000 0.763 149 L CB -1.159 40.907 42.059 0.012 0.000 0.908 149 L HN 0.485 nan 8.230 nan 0.000 0.437 150 G N -0.135 108.697 108.800 0.053 0.000 2.422 150 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.218 150 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.218 150 G C 1.788 176.711 174.900 0.039 0.000 1.146 150 G CA 0.790 45.924 45.100 0.057 0.000 0.769 150 G HN 0.452 nan 8.290 nan 0.000 0.547 151 A N 1.113 124.009 122.820 0.126 0.000 1.930 151 A HA 0.339 4.659 4.320 -0.001 0.000 0.217 151 A C 2.795 180.387 177.584 0.013 0.000 1.175 151 A CA 2.053 54.185 52.037 0.159 0.000 0.627 151 A CB -0.698 18.442 19.000 0.233 0.000 0.815 151 A HN 0.716 nan 8.150 nan 0.000 0.443 152 A N 0.060 122.887 122.820 0.011 0.000 1.902 152 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 152 A C 2.246 179.790 177.584 -0.066 0.000 1.181 152 A CA 1.547 53.572 52.037 -0.021 0.000 0.623 152 A CB -0.422 18.577 19.000 -0.002 0.000 0.818 152 A HN 0.565 nan 8.150 nan 0.000 0.443 153 R N -0.578 119.879 120.500 -0.073 0.000 2.090 153 R HA 0.054 4.393 4.340 -0.001 0.000 0.228 153 R C 2.437 178.677 176.300 -0.100 0.000 1.110 153 R CA 1.066 57.119 56.100 -0.078 0.000 0.973 153 R CB -0.382 29.880 30.300 -0.063 0.000 0.869 153 R HN 0.491 nan 8.270 nan 0.000 0.440 154 A N 1.112 123.766 122.820 -0.277 0.000 1.872 154 A HA -0.140 4.180 4.320 -0.001 0.000 0.214 154 A C 1.886 179.278 177.584 -0.320 0.000 1.187 154 A CA 1.029 52.759 52.037 -0.513 0.000 0.614 154 A CB -0.164 18.009 19.000 -1.378 0.000 0.826 154 A HN 0.268 nan 8.150 nan 0.000 0.442 155 Q N -0.984 118.660 119.800 -0.259 0.000 2.425 155 Q HA 0.143 4.482 4.340 -0.001 0.000 0.204 155 Q C 0.317 176.249 176.000 -0.112 0.000 0.933 155 Q CA 0.451 56.175 55.803 -0.132 0.000 0.939 155 Q CB 0.436 29.132 28.738 -0.069 0.000 1.044 155 Q HN 0.491 nan 8.270 nan 0.000 0.513 156 S N 0.534 116.157 115.700 -0.128 0.000 3.628 156 S HA -0.193 4.276 4.470 -0.001 0.000 0.373 156 S C -0.516 173.970 174.600 -0.190 0.000 0.968 156 S CA 0.498 58.570 58.200 -0.213 0.000 1.215 156 S CB -0.659 62.281 63.200 -0.433 0.000 0.912 156 S HN 0.376 nan 8.310 nan 0.000 0.495 157 R N 0.191 120.600 120.500 -0.151 0.000 2.799 157 R HA 0.546 4.886 4.340 -0.001 0.000 0.270 157 R C -2.979 173.289 176.300 -0.053 0.000 1.010 157 R CA -2.360 53.637 56.100 -0.171 0.000 0.916 157 R CB 1.139 31.229 30.300 -0.350 0.000 1.228 157 R HN 0.109 nan 8.270 nan 0.000 0.469 158 P HA 0.049 nan 4.420 nan 0.000 0.272 158 P C -0.930 176.440 177.300 0.116 0.000 1.223 158 P CA -0.347 62.803 63.100 0.083 0.000 0.784 158 P CB 0.692 32.471 31.700 0.130 0.000 0.923 159 V N -0.241 119.738 119.914 0.109 0.000 3.074 159 V HA 0.660 4.780 4.120 -0.001 0.000 0.314 159 V C -1.503 174.678 176.094 0.146 0.000 1.117 159 V CA -1.032 61.338 62.300 0.116 0.000 1.014 159 V CB 2.112 33.976 31.823 0.068 0.000 1.057 159 V HN 0.427 nan 8.190 nan 0.000 0.438 160 Y N 2.030 122.302 120.300 -0.047 0.000 2.361 160 Y HA 0.801 5.351 4.550 0.001 0.000 0.337 160 Y C -1.301 174.510 175.900 -0.149 0.000 0.965 160 Y CA -1.204 56.810 58.100 -0.144 0.000 1.091 160 Y CB 1.761 40.099 38.460 -0.203 0.000 1.182 160 Y HN 0.777 nan 8.280 nan 0.000 0.450 161 L N 6.200 126.986 121.223 -0.728 0.000 2.349 161 L HA 0.491 4.831 4.340 -0.001 0.000 0.278 161 L C -0.702 175.668 176.870 -0.834 0.000 0.996 161 L CA -0.705 53.765 54.840 -0.617 0.000 0.825 161 L CB 2.052 43.901 42.059 -0.348 0.000 1.243 161 L HN 0.628 nan 8.230 nan 0.000 0.412 162 E N 4.217 124.027 120.200 -0.650 0.000 2.151 162 E HA 0.516 4.865 4.350 -0.001 0.000 0.275 162 E C -1.169 175.274 176.600 -0.261 0.000 0.936 162 E CA -0.578 55.551 56.400 -0.453 0.000 0.777 162 E CB 1.488 31.065 29.700 -0.206 0.000 1.108 162 E HN 0.480 nan 8.360 nan 0.000 0.401 163 I N 6.470 126.891 120.570 -0.249 0.000 2.390 163 I HA 0.293 4.463 4.170 -0.001 0.000 0.283 163 I C -2.286 173.759 176.117 -0.119 0.000 1.016 163 I CA -2.490 58.701 61.300 -0.182 0.000 1.151 163 I CB 1.445 39.305 38.000 -0.232 0.000 1.293 163 I HN 0.298 nan 8.210 nan 0.000 0.458 164 P HA 0.027 nan 4.420 nan 0.000 0.265 164 P C 0.562 177.857 177.300 -0.008 0.000 1.193 164 P CA -0.186 62.869 63.100 -0.076 0.000 0.765 164 P CB 0.515 32.175 31.700 -0.065 0.000 0.823 165 R N 3.530 124.058 120.500 0.047 0.000 2.193 165 R HA -0.159 4.181 4.340 -0.001 0.000 0.229 165 R C 1.151 177.493 176.300 0.070 0.000 1.110 165 R CA 1.564 57.722 56.100 0.097 0.000 0.988 165 R CB -0.879 29.516 30.300 0.159 0.000 0.871 165 R HN 0.389 nan 8.270 nan 0.000 0.458 166 N N 0.498 119.225 118.700 0.046 0.000 2.521 166 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 166 N C 0.998 176.525 175.510 0.029 0.000 1.146 166 N CA 0.680 53.751 53.050 0.035 0.000 0.893 166 N CB 0.112 38.614 38.487 0.025 0.000 0.975 166 N HN 0.282 nan 8.380 nan 0.000 0.451 167 M N -0.056 119.559 119.600 0.026 0.000 2.414 167 M HA 0.157 4.637 4.480 -0.001 0.000 0.251 167 M C 1.683 178.008 176.300 0.042 0.000 1.116 167 M CA 0.025 55.338 55.300 0.022 0.000 1.056 167 M CB -0.150 32.450 32.600 -0.000 0.000 1.388 167 M HN -0.085 nan 8.290 nan 0.000 0.487 168 V N 1.927 121.881 119.914 0.068 0.000 2.317 168 V HA -0.313 3.807 4.120 -0.001 0.000 0.251 168 V C 1.218 177.363 176.094 0.086 0.000 1.065 168 V CA 2.091 64.459 62.300 0.114 0.000 1.049 168 V CB -0.926 30.991 31.823 0.156 0.000 0.651 168 V HN 0.569 nan 8.190 nan 0.000 0.450 169 N N -0.445 118.291 118.700 0.060 0.000 2.235 169 N HA 0.398 5.138 4.740 -0.001 0.000 0.209 169 N C 0.281 175.814 175.510 0.038 0.000 1.122 169 N CA 0.305 53.381 53.050 0.044 0.000 0.845 169 N CB 0.289 38.796 38.487 0.035 0.000 1.004 169 N HN 0.474 nan 8.380 nan 0.000 0.499 170 A N 1.068 123.911 122.820 0.038 0.000 2.462 170 A HA 0.038 4.357 4.320 -0.001 0.000 0.243 170 A C 0.337 177.949 177.584 0.046 0.000 1.076 170 A CA -0.087 51.971 52.037 0.036 0.000 0.773 170 A CB 0.172 19.189 19.000 0.029 0.000 1.010 170 A HN 0.326 nan 8.150 nan 0.000 0.493 171 E N 0.613 120.850 120.200 0.060 0.000 2.344 171 E HA 0.404 4.753 4.350 -0.001 0.000 0.270 171 E C -0.253 176.414 176.600 0.112 0.000 1.021 171 E CA -0.081 56.380 56.400 0.101 0.000 0.887 171 E CB 0.514 30.286 29.700 0.119 0.000 0.997 171 E HN 0.735 nan 8.360 nan 0.000 0.429 172 V N 0.391 120.352 119.914 0.079 0.000 3.206 172 V HA 0.493 4.613 4.120 -0.001 0.000 0.305 172 V C -0.678 175.335 176.094 -0.135 0.000 1.257 172 V CA -1.082 61.212 62.300 -0.011 0.000 1.057 172 V CB 1.761 33.576 31.823 -0.014 0.000 1.075 172 V HN 0.692 nan 8.190 nan 0.000 0.443 173 E N 1.651 121.719 120.200 -0.220 0.000 2.349 173 E HA 0.447 4.796 4.350 -0.001 0.000 0.262 173 E C -2.526 174.002 176.600 -0.120 0.000 1.088 173 E CA -1.718 54.525 56.400 -0.262 0.000 0.899 173 E CB 0.910 30.459 29.700 -0.252 0.000 1.044 173 E HN 0.624 nan 8.360 nan 0.000 0.420 174 P HA -0.056 nan 4.420 nan 0.000 0.268 174 P C -0.866 176.410 177.300 -0.039 0.000 1.208 174 P CA -0.038 63.033 63.100 -0.047 0.000 0.777 174 P CB 0.435 32.114 31.700 -0.036 0.000 0.875 175 V N 2.602 122.502 119.914 -0.024 0.000 2.555 175 V HA 0.327 4.447 4.120 -0.001 0.000 0.286 175 V C 1.309 177.396 176.094 -0.011 0.000 1.044 175 V CA 0.358 62.648 62.300 -0.016 0.000 1.026 175 V CB 0.403 32.221 31.823 -0.008 0.000 0.981 175 V HN 0.761 nan 8.190 nan 0.000 0.480 176 G N 3.332 112.128 108.800 -0.007 0.000 2.494 176 G HA2 0.225 4.185 3.960 -0.001 0.000 0.270 176 G HA3 0.225 4.185 3.960 -0.001 0.000 0.270 176 G C -0.262 174.642 174.900 0.007 0.000 1.423 176 G CA -0.557 44.542 45.100 -0.002 0.000 1.055 176 G HN 0.647 nan 8.290 nan 0.000 0.536 177 D N 0.097 120.503 120.400 0.011 0.000 2.358 177 D HA 0.177 4.817 4.640 -0.001 0.000 0.244 177 D C -0.096 176.222 176.300 0.031 0.000 1.163 177 D CA 0.007 54.018 54.000 0.018 0.000 0.945 177 D CB 0.681 41.492 40.800 0.018 0.000 1.152 177 D HN 0.145 nan 8.370 nan 0.000 0.451 178 D N 0.780 121.203 120.400 0.037 0.000 2.399 178 D HA 0.162 4.801 4.640 -0.001 0.000 0.241 178 D C -1.961 174.395 176.300 0.094 0.000 1.133 178 D CA -0.677 53.361 54.000 0.063 0.000 0.890 178 D CB -0.100 40.731 40.800 0.051 0.000 1.201 178 D HN -0.003 nan 8.370 nan 0.000 0.432 179 P HA 0.198 nan 4.420 nan 0.000 0.269 179 P C -0.937 176.504 177.300 0.235 0.000 1.209 179 P CA -0.179 63.010 63.100 0.147 0.000 0.776 179 P CB 0.611 32.398 31.700 0.145 0.000 0.876 180 A N 2.121 125.052 122.820 0.186 0.000 2.310 180 A HA 0.464 4.784 4.320 -0.001 0.000 0.299 180 A C -1.233 176.549 177.584 0.331 0.000 1.147 180 A CA -0.383 51.790 52.037 0.227 0.000 0.818 180 A CB 0.145 19.216 19.000 0.119 0.000 1.096 180 A HN 0.481 nan 8.150 nan 0.000 0.495 181 W N 2.359 123.653 121.300 -0.010 0.000 2.282 181 W HA 0.505 5.164 4.660 -0.001 0.000 0.322 181 W C -2.187 174.323 176.519 -0.016 0.000 1.011 181 W CA -2.181 55.157 57.345 -0.013 0.000 1.392 181 W CB -0.037 29.412 29.460 -0.019 0.000 1.215 181 W HN 0.496 nan 8.180 nan 0.000 0.394 182 P HA 0.078 nan 4.420 nan 0.000 0.266 182 P C -0.747 176.605 177.300 0.086 0.000 1.193 182 P CA 0.066 63.216 63.100 0.083 0.000 0.770 182 P CB 0.731 32.453 31.700 0.036 0.000 0.836 183 V N 2.547 122.496 119.914 0.057 0.000 2.525 183 V HA 0.165 4.284 4.120 -0.001 0.000 0.299 183 V C -0.249 175.864 176.094 0.030 0.000 1.034 183 V CA -0.705 61.621 62.300 0.044 0.000 0.863 183 V CB 1.921 33.760 31.823 0.027 0.000 0.999 183 V HN 0.558 nan 8.190 nan 0.000 0.423 184 D N 3.498 123.918 120.400 0.032 0.000 2.338 184 D HA 0.047 4.687 4.640 -0.001 0.000 0.255 184 D C 1.421 177.733 176.300 0.020 0.000 1.237 184 D CA 0.123 54.139 54.000 0.028 0.000 0.883 184 D CB 1.385 42.207 40.800 0.037 0.000 1.087 184 D HN 0.458 nan 8.370 nan 0.000 0.485 185 R N 3.877 124.385 120.500 0.013 0.000 2.103 185 R HA -0.155 4.184 4.340 -0.001 0.000 0.242 185 R C 0.994 177.297 176.300 0.005 0.000 1.142 185 R CA 2.073 58.176 56.100 0.005 0.000 0.960 185 R CB -0.763 29.540 30.300 0.004 0.000 0.858 185 R HN 0.622 nan 8.270 nan 0.000 0.439 186 D N 0.061 120.470 120.400 0.014 0.000 2.144 186 D HA 0.001 4.641 4.640 -0.001 0.000 0.200 186 D C 2.084 178.403 176.300 0.032 0.000 0.978 186 D CA 1.640 55.652 54.000 0.020 0.000 0.833 186 D CB -0.553 40.262 40.800 0.024 0.000 0.961 186 D HN 0.551 nan 8.370 nan 0.000 0.470 187 A N 1.275 124.124 122.820 0.048 0.000 1.873 187 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 187 A C 2.195 179.776 177.584 -0.004 0.000 1.186 187 A CA 0.925 53.015 52.037 0.088 0.000 0.616 187 A CB -0.740 18.331 19.000 0.119 0.000 0.823 187 A HN 0.211 nan 8.150 nan 0.000 0.442 188 L N -0.030 121.177 121.223 -0.027 0.000 2.012 188 L HA -0.102 4.238 4.340 -0.001 0.000 0.210 188 L C 2.658 179.468 176.870 -0.100 0.000 1.073 188 L CA 2.375 57.168 54.840 -0.079 0.000 0.748 188 L CB -0.946 41.087 42.059 -0.044 0.000 0.891 188 L HN 0.354 nan 8.230 nan 0.000 0.431 189 A N -0.367 122.421 122.820 -0.054 0.000 1.883 189 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 189 A C 2.465 180.012 177.584 -0.061 0.000 1.186 189 A CA 2.304 54.314 52.037 -0.046 0.000 0.624 189 A CB -1.342 17.646 19.000 -0.019 0.000 0.822 189 A HN 0.628 nan 8.150 nan 0.000 0.444 190 A N -1.252 121.540 122.820 -0.047 0.000 1.902 190 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 190 A C 2.432 179.923 177.584 -0.155 0.000 1.181 190 A CA 1.726 53.750 52.037 -0.021 0.000 0.623 190 A CB -1.420 17.639 19.000 0.100 0.000 0.818 190 A HN 0.866 nan 8.150 nan 0.000 0.443 191 C N -0.595 118.430 119.300 -0.457 0.000 2.436 191 C HA 0.069 4.528 4.460 -0.001 0.000 0.277 191 C C 3.147 177.904 174.990 -0.389 0.000 1.241 191 C CA 1.380 59.858 59.018 -0.900 0.000 1.721 191 C CB -1.333 25.750 27.740 -1.094 0.000 2.043 191 C HN 0.680 nan 8.230 nan 0.000 0.472 192 A N 0.354 123.032 122.820 -0.238 0.000 1.940 192 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 192 A C 1.873 179.402 177.584 -0.092 0.000 1.176 192 A CA 2.277 54.238 52.037 -0.128 0.000 0.631 192 A CB -0.748 18.205 19.000 -0.078 0.000 0.814 192 A HN 0.684 nan 8.150 nan 0.000 0.446 193 D N -0.747 119.606 120.400 -0.079 0.000 2.117 193 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 193 D C 1.896 178.176 176.300 -0.034 0.000 0.987 193 D CA 1.517 55.493 54.000 -0.040 0.000 0.829 193 D CB -0.324 40.464 40.800 -0.020 0.000 0.961 193 D HN 0.758 nan 8.370 nan 0.000 0.460 194 E N 0.475 120.654 120.200 -0.034 0.000 2.107 194 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 194 E C 2.059 178.629 176.600 -0.050 0.000 0.982 194 E CA 0.454 56.858 56.400 0.006 0.000 0.809 194 E CB 0.264 30.035 29.700 0.117 0.000 0.756 194 E HN -0.024 nan 8.360 nan 0.000 0.459 195 V N 1.327 121.170 119.914 -0.118 0.000 2.307 195 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 195 V C 2.435 178.441 176.094 -0.147 0.000 1.045 195 V CA 1.499 63.674 62.300 -0.208 0.000 1.024 195 V CB -0.502 31.150 31.823 -0.286 0.000 0.651 195 V HN 0.344 nan 8.190 nan 0.000 0.449 196 L N 0.947 122.123 121.223 -0.078 0.000 2.042 196 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 196 L C 2.428 179.280 176.870 -0.029 0.000 1.076 196 L CA 2.441 57.262 54.840 -0.033 0.000 0.749 196 L CB -1.026 41.025 42.059 -0.014 0.000 0.893 196 L HN 0.241 nan 8.230 nan 0.000 0.432 197 A N -0.737 122.065 122.820 -0.030 0.000 1.933 197 A HA -0.067 4.252 4.320 -0.001 0.000 0.218 197 A C 2.429 179.998 177.584 -0.025 0.000 1.175 197 A CA 1.696 53.722 52.037 -0.018 0.000 0.628 197 A CB -1.047 17.949 19.000 -0.007 0.000 0.814 197 A HN 0.568 nan 8.150 nan 0.000 0.444 198 A N -1.049 121.742 122.820 -0.049 0.000 1.930 198 A HA -0.051 4.269 4.320 -0.001 0.000 0.217 198 A C 2.116 179.667 177.584 -0.054 0.000 1.175 198 A CA 1.795 53.795 52.037 -0.061 0.000 0.627 198 A CB -0.409 18.528 19.000 -0.106 0.000 0.815 198 A HN 0.407 nan 8.150 nan 0.000 0.443 199 M N -0.785 118.782 119.600 -0.054 0.000 2.254 199 M HA 0.002 4.482 4.480 -0.001 0.000 0.265 199 M C 2.081 178.382 176.300 0.001 0.000 1.066 199 M CA 1.233 56.524 55.300 -0.015 0.000 1.123 199 M CB -1.073 31.539 32.600 0.020 0.000 1.388 199 M HN 0.385 nan 8.290 nan 0.000 0.425 200 R N -0.096 120.402 120.500 -0.003 0.000 2.153 200 R HA -0.028 4.312 4.340 -0.001 0.000 0.218 200 R C 2.189 178.490 176.300 0.001 0.000 1.072 200 R CA 1.465 57.566 56.100 0.003 0.000 0.990 200 R CB -0.048 30.253 30.300 0.002 0.000 0.889 200 R HN 0.440 nan 8.270 nan 0.000 0.452 201 S N -0.298 115.399 115.700 -0.004 0.000 2.528 201 S HA 0.212 4.682 4.470 -0.001 0.000 0.219 201 S C 0.848 175.447 174.600 -0.003 0.000 0.985 201 S CA -0.164 58.035 58.200 -0.003 0.000 0.914 201 S CB 0.407 63.605 63.200 -0.003 0.000 0.776 201 S HN 0.214 nan 8.310 nan 0.000 0.526 202 A N 2.203 125.020 122.820 -0.005 0.000 2.407 202 A HA 0.504 4.823 4.320 -0.001 0.000 0.248 202 A C 1.500 179.085 177.584 0.002 0.000 1.082 202 A CA 0.136 52.171 52.037 -0.004 0.000 0.785 202 A CB 0.234 19.231 19.000 -0.005 0.000 1.020 202 A HN 0.465 nan 8.150 nan 0.000 0.489 203 T N -1.409 113.146 114.554 0.002 0.000 2.976 203 T HA 0.085 4.435 4.350 -0.001 0.000 0.257 203 T C 0.944 175.647 174.700 0.006 0.000 1.051 203 T CA 1.202 63.305 62.100 0.004 0.000 1.141 203 T CB -0.044 68.826 68.868 0.003 0.000 0.881 203 T HN 0.781 nan 8.240 nan 0.000 0.461 204 S N 3.539 119.242 115.700 0.005 0.000 2.112 204 S HA 0.420 4.890 4.470 -0.001 0.000 0.151 204 S C -2.914 171.691 174.600 0.008 0.000 1.723 204 S CA -1.559 56.645 58.200 0.007 0.000 1.263 204 S CB 0.549 63.752 63.200 0.004 0.000 1.194 204 S HN 0.248 nan 8.310 nan 0.000 0.419 205 P HA 0.294 nan 4.420 nan 0.000 0.275 205 P C -0.834 176.486 177.300 0.034 0.000 1.227 205 P CA -0.319 62.798 63.100 0.028 0.000 0.781 205 P CB 1.334 33.056 31.700 0.036 0.000 0.906 206 V N 4.254 124.196 119.914 0.046 0.000 2.577 206 V HA 0.211 4.330 4.120 -0.001 0.000 0.303 206 V C -0.065 176.072 176.094 0.071 0.000 1.042 206 V CA -0.772 61.551 62.300 0.039 0.000 0.872 206 V CB 1.907 33.734 31.823 0.007 0.000 0.998 206 V HN 0.396 nan 8.190 nan 0.000 0.423 207 L N 5.791 127.041 121.223 0.044 0.000 2.255 207 L HA 0.601 4.941 4.340 -0.001 0.000 0.289 207 L C -0.238 176.619 176.870 -0.021 0.000 1.046 207 L CA 0.141 54.985 54.840 0.006 0.000 0.816 207 L CB 0.951 42.987 42.059 -0.038 0.000 1.197 207 L HN 0.790 nan 8.230 nan 0.000 0.427 208 M N 6.772 126.365 119.600 -0.012 0.000 2.066 208 M HA 0.478 4.958 4.480 -0.001 0.000 0.340 208 M C -0.943 175.352 176.300 -0.009 0.000 1.053 208 M CA -0.800 54.507 55.300 0.010 0.000 0.983 208 M CB 0.935 33.570 32.600 0.059 0.000 1.520 208 M HN 0.472 nan 8.290 nan 0.000 0.428 209 V N 2.701 122.606 119.914 -0.015 0.000 2.539 209 V HA 0.715 4.835 4.120 -0.001 0.000 0.292 209 V C -0.412 175.693 176.094 0.018 0.000 1.045 209 V CA -0.684 61.605 62.300 -0.019 0.000 0.945 209 V CB 1.013 32.814 31.823 -0.036 0.000 0.993 209 V HN 1.060 nan 8.190 nan 0.000 0.464 210 C N 3.000 122.323 119.300 0.038 0.000 3.308 210 C HA 0.666 5.126 4.460 -0.001 0.000 0.360 210 C C 1.926 176.952 174.990 0.060 0.000 1.695 210 C CA 0.361 59.412 59.018 0.054 0.000 1.366 210 C CB 1.490 29.285 27.740 0.091 0.000 2.121 210 C HN 1.275 nan 8.230 nan 0.000 0.442 211 V N 0.865 120.821 119.914 0.070 0.000 2.236 211 V HA -0.262 3.858 4.120 -0.001 0.000 0.255 211 V C 1.861 177.980 176.094 0.041 0.000 1.068 211 V CA 2.848 65.181 62.300 0.055 0.000 1.044 211 V CB -1.408 30.465 31.823 0.084 0.000 0.653 211 V HN 0.940 nan 8.190 nan 0.000 0.448 212 E N 0.288 120.553 120.200 0.109 0.000 2.219 212 E HA -0.168 4.182 4.350 -0.001 0.000 0.198 212 E C 2.254 178.913 176.600 0.099 0.000 0.998 212 E CA 1.630 58.084 56.400 0.089 0.000 0.818 212 E CB -0.400 29.439 29.700 0.232 0.000 0.741 212 E HN 0.648 nan 8.360 nan 0.000 0.477 213 V N 0.966 120.922 119.914 0.071 0.000 2.407 213 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 213 V C 2.352 178.453 176.094 0.013 0.000 1.055 213 V CA 2.085 64.410 62.300 0.043 0.000 1.049 213 V CB -0.420 31.406 31.823 0.005 0.000 0.662 213 V HN 0.144 nan 8.190 nan 0.000 0.455 214 R N 0.094 120.582 120.500 -0.021 0.000 2.080 214 R HA -0.016 4.323 4.340 -0.001 0.000 0.222 214 R C 2.407 178.649 176.300 -0.096 0.000 1.107 214 R CA 0.994 57.063 56.100 -0.050 0.000 0.980 214 R CB -0.334 29.934 30.300 -0.053 0.000 0.879 214 R HN 0.247 nan 8.270 nan 0.000 0.439 215 R N -0.285 120.111 120.500 -0.175 0.000 2.117 215 R HA -0.167 4.172 4.340 -0.001 0.000 0.243 215 R C 1.206 177.246 176.300 -0.433 0.000 1.143 215 R CA 1.523 57.406 56.100 -0.361 0.000 0.968 215 R CB -0.733 29.222 30.300 -0.576 0.000 0.863 215 R HN 0.388 nan 8.270 nan 0.000 0.444 216 Y N -0.369 119.898 120.300 -0.055 0.000 2.493 216 Y HA 0.303 4.852 4.550 -0.001 0.000 0.275 216 Y C 1.203 177.071 175.900 -0.054 0.000 1.183 216 Y CA -0.024 58.037 58.100 -0.064 0.000 1.258 216 Y CB -0.033 38.381 38.460 -0.077 0.000 1.108 216 Y HN 0.274 nan 8.280 nan 0.000 0.521 217 G N 1.088 109.911 108.800 0.038 0.000 2.295 217 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.287 217 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.287 217 G C 0.448 175.359 174.900 0.019 0.000 1.055 217 G CA 0.562 45.670 45.100 0.013 0.000 0.922 217 G HN 0.517 nan 8.290 nan 0.000 0.503 218 L N -0.943 120.296 121.223 0.028 0.000 2.667 218 L HA 0.234 4.574 4.340 -0.001 0.000 0.232 218 L C 2.211 179.077 176.870 -0.008 0.000 1.138 218 L CA 0.091 54.939 54.840 0.013 0.000 0.921 218 L CB -0.076 41.998 42.059 0.025 0.000 1.180 218 L HN 0.351 nan 8.230 nan 0.000 0.487 219 E N 1.428 121.619 120.200 -0.014 0.000 2.038 219 E HA -0.253 4.097 4.350 -0.001 0.000 0.195 219 E C 2.355 178.942 176.600 -0.020 0.000 1.000 219 E CA 1.604 57.991 56.400 -0.022 0.000 0.803 219 E CB -0.066 29.617 29.700 -0.029 0.000 0.750 219 E HN 0.551 nan 8.360 nan 0.000 0.448 220 A N 1.532 124.341 122.820 -0.018 0.000 1.877 220 A HA -0.235 4.084 4.320 -0.001 0.000 0.216 220 A C 1.989 179.565 177.584 -0.014 0.000 1.186 220 A CA 1.658 53.686 52.037 -0.015 0.000 0.620 220 A CB -0.366 18.626 19.000 -0.014 0.000 0.822 220 A HN 0.050 nan 8.150 nan 0.000 0.443 221 K N -0.584 119.808 120.400 -0.014 0.000 2.147 221 K HA -0.042 4.277 4.320 -0.001 0.000 0.205 221 K C 1.729 178.318 176.600 -0.019 0.000 1.049 221 K CA 1.287 57.566 56.287 -0.014 0.000 0.936 221 K CB -0.229 32.263 32.500 -0.013 0.000 0.722 221 K HN 0.312 nan 8.250 nan 0.000 0.446 222 V N 0.831 120.729 119.914 -0.026 0.000 2.719 222 V HA -0.141 3.978 4.120 -0.001 0.000 0.252 222 V C 2.125 178.198 176.094 -0.034 0.000 1.065 222 V CA 1.665 63.941 62.300 -0.041 0.000 1.086 222 V CB -0.184 31.604 31.823 -0.059 0.000 0.700 222 V HN 0.312 nan 8.190 nan 0.000 0.467 223 A N 0.079 122.885 122.820 -0.023 0.000 1.929 223 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 223 A C 2.173 179.751 177.584 -0.010 0.000 1.176 223 A CA 1.740 53.767 52.037 -0.015 0.000 0.628 223 A CB -0.346 18.647 19.000 -0.011 0.000 0.816 223 A HN 0.512 nan 8.150 nan 0.000 0.444 224 E N -0.091 120.103 120.200 -0.009 0.000 2.106 224 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 224 E C 1.753 178.352 176.600 -0.002 0.000 0.984 224 E CA 1.172 57.570 56.400 -0.004 0.000 0.806 224 E CB -0.404 29.293 29.700 -0.004 0.000 0.750 224 E HN 0.412 nan 8.360 nan 0.000 0.458 225 L N 0.251 121.470 121.223 -0.006 0.000 2.046 225 L HA 0.003 4.343 4.340 -0.001 0.000 0.208 225 L C 2.191 179.065 176.870 0.007 0.000 1.077 225 L CA 2.265 57.106 54.840 0.002 0.000 0.747 225 L CB -1.053 41.002 42.059 -0.006 0.000 0.896 225 L HN 0.164 nan 8.230 nan 0.000 0.432 226 A N -1.071 121.747 122.820 -0.004 0.000 1.902 226 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 226 A C 2.266 179.855 177.584 0.009 0.000 1.181 226 A CA 1.773 53.812 52.037 0.003 0.000 0.623 226 A CB -0.708 18.288 19.000 -0.007 0.000 0.818 226 A HN 0.584 nan 8.150 nan 0.000 0.443 227 Q N -0.131 119.672 119.800 0.005 0.000 2.030 227 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 227 Q C 2.246 178.252 176.000 0.010 0.000 0.986 227 Q CA 2.151 57.958 55.803 0.007 0.000 0.843 227 Q CB -0.238 28.503 28.738 0.004 0.000 0.904 227 Q HN 0.663 nan 8.270 nan 0.000 0.420 228 R N -0.570 119.937 120.500 0.011 0.000 2.115 228 R HA -0.045 4.294 4.340 -0.001 0.000 0.230 228 R C 2.273 178.584 176.300 0.017 0.000 1.111 228 R CA 1.232 57.339 56.100 0.013 0.000 0.976 228 R CB -0.259 30.048 30.300 0.012 0.000 0.870 228 R HN 0.306 nan 8.270 nan 0.000 0.445 229 L N -0.576 120.661 121.223 0.023 0.000 2.313 229 L HA 0.084 4.423 4.340 -0.001 0.000 0.214 229 L C 1.090 177.975 176.870 0.025 0.000 1.119 229 L CA 0.653 55.511 54.840 0.031 0.000 0.809 229 L CB -0.188 41.900 42.059 0.048 0.000 0.933 229 L HN 0.465 nan 8.230 nan 0.000 0.449 230 G N 1.143 109.955 108.800 0.021 0.000 2.225 230 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.264 230 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.264 230 G C -0.009 174.903 174.900 0.020 0.000 1.060 230 G CA 0.305 45.415 45.100 0.017 0.000 0.833 230 G HN 0.308 nan 8.290 nan 0.000 0.498 231 V N -2.968 116.960 119.914 0.023 0.000 2.864 231 V HA 0.982 5.101 4.120 -0.001 0.000 0.314 231 V C -1.899 174.206 176.094 0.019 0.000 1.073 231 V CA -2.285 60.030 62.300 0.025 0.000 0.956 231 V CB 2.254 34.100 31.823 0.039 0.000 1.023 231 V HN 0.207 nan 8.190 nan 0.000 0.435 232 P HA 0.362 nan 4.420 nan 0.000 0.275 232 P C -0.828 176.479 177.300 0.012 0.000 1.228 232 P CA -0.161 62.948 63.100 0.015 0.000 0.786 232 P CB 1.636 33.346 31.700 0.016 0.000 0.927 233 V N 3.268 123.187 119.914 0.008 0.000 2.417 233 V HA 0.369 4.489 4.120 -0.001 0.000 0.291 233 V C 0.481 176.581 176.094 0.010 0.000 1.024 233 V CA -0.604 61.697 62.300 0.001 0.000 0.861 233 V CB 1.634 33.454 31.823 -0.005 0.000 0.985 233 V HN 0.515 nan 8.190 nan 0.000 0.436 234 V N 1.729 121.650 119.914 0.012 0.000 2.735 234 V HA 0.875 4.995 4.120 -0.001 0.000 0.310 234 V C 0.012 176.125 176.094 0.032 0.000 1.061 234 V CA -0.389 61.928 62.300 0.028 0.000 0.913 234 V CB 1.767 33.614 31.823 0.039 0.000 1.005 234 V HN 0.897 nan 8.190 nan 0.000 0.428 235 T N 1.030 115.608 114.554 0.039 0.000 2.881 235 T HA 0.686 5.036 4.350 -0.001 0.000 0.278 235 T C 0.464 175.201 174.700 0.062 0.000 0.982 235 T CA 0.253 62.372 62.100 0.032 0.000 0.989 235 T CB 1.406 70.279 68.868 0.009 0.000 1.058 235 T HN 1.434 nan 8.240 nan 0.000 0.529 236 T N -0.514 114.064 114.554 0.040 0.000 2.810 236 T HA 0.370 4.719 4.350 -0.001 0.000 0.277 236 T C 0.808 175.537 174.700 0.047 0.000 0.973 236 T CA -0.770 61.352 62.100 0.037 0.000 0.949 236 T CB 0.395 69.244 68.868 -0.032 0.000 1.075 236 T HN 0.545 nan 8.240 nan 0.000 0.537 237 F N 0.800 120.678 119.950 -0.119 0.000 2.113 237 F HA 0.003 4.529 4.527 -0.001 0.000 0.297 237 F C 2.400 178.128 175.800 -0.121 0.000 1.103 237 F CA 1.800 59.724 58.000 -0.127 0.000 1.248 237 F CB -0.528 38.395 39.000 -0.128 0.000 0.999 237 F HN 0.549 nan 8.300 nan 0.000 0.475 238 M N 0.698 120.292 119.600 -0.009 0.000 2.149 238 M HA 0.016 4.495 4.480 -0.001 0.000 0.261 238 M C 1.924 178.144 176.300 -0.133 0.000 1.064 238 M CA 2.117 57.362 55.300 -0.092 0.000 1.102 238 M CB -1.252 31.360 32.600 0.020 0.000 1.369 238 M HN 0.108 nan 8.290 nan 0.000 0.408 239 G N -0.489 108.263 108.800 -0.080 0.000 3.181 239 G HA2 0.035 3.995 3.960 -0.001 0.000 0.219 239 G HA3 0.035 3.995 3.960 -0.001 0.000 0.219 239 G C 0.341 175.191 174.900 -0.084 0.000 1.182 239 G CA -0.371 44.691 45.100 -0.063 0.000 0.791 239 G HN 0.413 nan 8.290 nan 0.000 0.537 240 R N 0.461 120.870 120.500 -0.151 0.000 2.538 240 R HA 0.373 4.713 4.340 -0.001 0.000 0.282 240 R C 1.401 177.641 176.300 -0.100 0.000 1.009 240 R CA 1.154 57.171 56.100 -0.138 0.000 1.063 240 R CB 0.014 30.164 30.300 -0.251 0.000 0.945 240 R HN 0.439 nan 8.270 nan 0.000 0.414 241 G N 2.999 111.771 108.800 -0.047 0.000 2.232 241 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.226 241 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.226 241 G C -0.041 174.843 174.900 -0.025 0.000 0.996 241 G CA 0.024 45.105 45.100 -0.031 0.000 0.626 241 G HN 0.514 nan 8.290 nan 0.000 0.509 242 L N 0.709 121.916 121.223 -0.027 0.000 2.461 242 L HA 0.498 4.838 4.340 -0.001 0.000 0.272 242 L C 1.548 178.410 176.870 -0.012 0.000 1.197 242 L CA -0.336 54.490 54.840 -0.024 0.000 0.836 242 L CB 0.655 42.700 42.059 -0.023 0.000 1.105 242 L HN 0.204 nan 8.230 nan 0.000 0.477 243 L N 1.782 122.994 121.223 -0.017 0.000 3.843 243 L HA -0.300 4.040 4.340 -0.001 0.000 0.411 243 L C 1.466 178.336 176.870 -0.000 0.000 1.205 243 L CA 1.119 55.952 54.840 -0.010 0.000 0.945 243 L CB -1.735 40.320 42.059 -0.007 0.000 1.929 243 L HN 0.839 nan 8.230 nan 0.000 0.934 244 A N -1.254 121.563 122.820 -0.004 0.000 1.972 244 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 244 A C 1.677 179.262 177.584 0.002 0.000 1.169 244 A CA 1.996 54.036 52.037 0.005 0.000 0.635 244 A CB -0.254 18.743 19.000 -0.006 0.000 0.810 244 A HN 0.582 nan 8.150 nan 0.000 0.446 245 D N -0.244 120.150 120.400 -0.010 0.000 2.328 245 D HA 0.371 5.011 4.640 -0.001 0.000 0.221 245 D C 0.539 176.836 176.300 -0.005 0.000 1.072 245 D CA 0.645 54.639 54.000 -0.010 0.000 0.850 245 D CB 0.056 40.843 40.800 -0.020 0.000 0.922 245 D HN 0.439 nan 8.370 nan 0.000 0.516 246 A N 1.296 124.116 122.820 -0.001 0.000 2.454 246 A HA 0.294 4.614 4.320 -0.001 0.000 0.260 246 A C -1.169 176.419 177.584 0.007 0.000 1.106 246 A CA -1.003 51.035 52.037 0.001 0.000 0.780 246 A CB 0.498 19.499 19.000 0.001 0.000 1.044 246 A HN -0.040 nan 8.150 nan 0.000 0.498 247 P HA -0.118 nan 4.420 nan 0.000 0.218 247 P C 0.445 177.751 177.300 0.011 0.000 1.154 247 P CA 1.579 64.683 63.100 0.007 0.000 0.872 247 P CB 0.116 31.819 31.700 0.005 0.000 0.790 248 T N 1.389 115.950 114.554 0.011 0.000 2.893 248 T HA 0.305 4.655 4.350 -0.001 0.000 0.324 248 T C -2.445 172.266 174.700 0.017 0.000 1.082 248 T CA -1.470 60.639 62.100 0.014 0.000 0.983 248 T CB 1.203 70.077 68.868 0.011 0.000 1.005 248 T HN 0.009 nan 8.240 nan 0.000 0.475 249 P HA 0.283 nan 4.420 nan 0.000 0.272 249 P C -2.685 174.631 177.300 0.027 0.000 1.240 249 P CA -1.303 61.817 63.100 0.033 0.000 0.791 249 P CB -0.205 31.529 31.700 0.057 0.000 0.978 250 P HA 0.130 nan 4.420 nan 0.000 0.271 250 P C 1.154 178.467 177.300 0.022 0.000 1.233 250 P CA -0.068 63.044 63.100 0.020 0.000 0.789 250 P CB 0.329 32.041 31.700 0.020 0.000 0.951 251 L N -0.596 120.639 121.223 0.020 0.000 2.291 251 L HA 0.165 4.505 4.340 -0.001 0.000 0.214 251 L C 1.303 178.186 176.870 0.023 0.000 1.120 251 L CA 1.219 56.071 54.840 0.021 0.000 0.799 251 L CB -0.649 41.424 42.059 0.024 0.000 0.925 251 L HN 0.667 nan 8.230 nan 0.000 0.446 252 G N -1.455 107.358 108.800 0.022 0.000 2.333 252 G HA2 0.106 4.066 3.960 -0.001 0.000 0.288 252 G HA3 0.106 4.066 3.960 -0.001 0.000 0.288 252 G C -1.275 173.640 174.900 0.025 0.000 1.286 252 G CA -0.662 44.446 45.100 0.014 0.000 0.865 252 G HN -0.244 nan 8.290 nan 0.000 0.506 253 T N 0.583 115.146 114.554 0.015 0.000 2.792 253 T HA 0.483 4.833 4.350 -0.001 0.000 0.280 253 T C -1.105 173.642 174.700 0.078 0.000 0.990 253 T CA -0.108 62.020 62.100 0.047 0.000 0.960 253 T CB 1.222 70.109 68.868 0.030 0.000 0.939 253 T HN 0.609 nan 8.240 nan 0.000 0.439 254 Y N 4.686 124.979 120.300 -0.012 0.000 2.480 254 Y HA 0.409 4.958 4.550 -0.001 0.000 0.341 254 Y C 0.196 176.097 175.900 0.002 0.000 1.031 254 Y CA -0.861 57.229 58.100 -0.017 0.000 1.295 254 Y CB -0.018 38.428 38.460 -0.024 0.000 1.162 254 Y HN 0.626 nan 8.280 nan 0.000 0.523 255 I N 6.760 127.031 120.570 -0.499 0.000 3.491 255 I HA 0.267 4.437 4.170 -0.001 0.000 0.332 255 I C 1.241 177.026 176.117 -0.554 0.000 1.565 255 I CA -0.002 61.039 61.300 -0.432 0.000 1.050 255 I CB -0.248 37.707 38.000 -0.074 0.000 1.348 255 I HN 0.965 nan 8.210 nan 0.000 0.506 256 G N 2.292 110.460 108.800 -1.054 0.000 2.614 256 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.303 256 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.303 256 G C 1.034 175.807 174.900 -0.210 0.000 1.270 256 G CA 1.017 45.805 45.100 -0.521 0.000 0.988 256 G HN 0.492 nan 8.290 nan 0.000 0.551 257 V N -2.008 117.821 119.914 -0.141 0.000 2.982 257 V HA 0.277 4.397 4.120 -0.001 0.000 0.265 257 V C 2.595 178.638 176.094 -0.085 0.000 1.122 257 V CA 2.725 64.970 62.300 -0.092 0.000 1.143 257 V CB -1.039 30.727 31.823 -0.094 0.000 0.726 257 V HN 2.098 nan 8.190 nan 0.000 0.507 258 A N -0.171 122.593 122.820 -0.094 0.000 2.348 258 A HA 0.685 5.005 4.320 -0.001 0.000 0.224 258 A C 1.323 178.895 177.584 -0.021 0.000 1.227 258 A CA 0.530 52.549 52.037 -0.029 0.000 0.885 258 A CB -0.294 18.741 19.000 0.058 0.000 0.933 258 A HN 0.704 nan 8.150 nan 0.000 0.506 259 G N -0.849 107.903 108.800 -0.080 0.000 2.828 259 G HA2 0.378 4.337 3.960 -0.001 0.000 0.244 259 G HA3 0.378 4.337 3.960 -0.001 0.000 0.244 259 G C -0.861 173.969 174.900 -0.116 0.000 1.365 259 G CA -0.281 44.760 45.100 -0.099 0.000 1.041 259 G HN 0.167 nan 8.290 nan 0.000 0.560 260 D N 0.007 120.277 120.400 -0.216 0.000 2.424 260 D HA 0.234 4.874 4.640 -0.001 0.000 0.244 260 D C 1.477 177.745 176.300 -0.053 0.000 1.134 260 D CA 0.232 54.114 54.000 -0.198 0.000 0.881 260 D CB 1.622 42.176 40.800 -0.409 0.000 1.191 260 D HN 0.258 nan 8.370 nan 0.000 0.445 261 A N 4.591 127.408 122.820 -0.005 0.000 1.933 261 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 261 A C 1.868 179.472 177.584 0.034 0.000 1.175 261 A CA 1.022 53.070 52.037 0.019 0.000 0.628 261 A CB -0.162 18.852 19.000 0.023 0.000 0.814 261 A HN 0.636 nan 8.150 nan 0.000 0.444 262 E N -0.086 120.137 120.200 0.037 0.000 2.107 262 E HA -0.037 4.313 4.350 -0.001 0.000 0.191 262 E C 1.933 178.561 176.600 0.046 0.000 0.982 262 E CA 0.673 57.097 56.400 0.041 0.000 0.809 262 E CB -0.332 29.395 29.700 0.046 0.000 0.756 262 E HN 0.721 nan 8.360 nan 0.000 0.459 263 I N 0.740 121.337 120.570 0.044 0.000 2.252 263 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 263 I C 2.164 178.357 176.117 0.127 0.000 1.102 263 I CA 1.115 62.455 61.300 0.066 0.000 1.385 263 I CB -0.287 37.742 38.000 0.047 0.000 1.064 263 I HN 0.049 nan 8.210 nan 0.000 0.414 264 T N 0.201 114.849 114.554 0.156 0.000 2.788 264 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 264 T C 2.058 176.852 174.700 0.156 0.000 1.044 264 T CA 1.280 63.535 62.100 0.259 0.000 1.139 264 T CB -0.227 68.739 68.868 0.164 0.000 0.867 264 T HN 0.272 nan 8.240 nan 0.000 0.454 265 R N 0.085 120.637 120.500 0.086 0.000 2.073 265 R HA 0.020 4.360 4.340 -0.001 0.000 0.229 265 R C 2.408 178.727 176.300 0.031 0.000 1.120 265 R CA 0.891 57.022 56.100 0.052 0.000 0.967 265 R CB -0.421 29.902 30.300 0.038 0.000 0.862 265 R HN 0.274 nan 8.270 nan 0.000 0.436 266 L N 0.643 121.883 121.223 0.028 0.000 2.012 266 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 266 L C 2.023 178.881 176.870 -0.019 0.000 1.073 266 L CA 1.617 56.462 54.840 0.010 0.000 0.748 266 L CB -0.374 41.695 42.059 0.016 0.000 0.891 266 L HN -0.040 nan 8.230 nan 0.000 0.431 267 V N -0.389 119.497 119.914 -0.048 0.000 2.270 267 V HA -0.263 3.856 4.120 -0.001 0.000 0.245 267 V C 2.438 178.448 176.094 -0.140 0.000 1.043 267 V CA 2.103 64.306 62.300 -0.162 0.000 1.014 267 V CB -0.633 30.920 31.823 -0.449 0.000 0.645 267 V HN 0.482 nan 8.190 nan 0.000 0.447 268 E N -0.497 119.656 120.200 -0.078 0.000 2.338 268 E HA -0.159 4.190 4.350 -0.001 0.000 0.197 268 E C 1.820 178.411 176.600 -0.015 0.000 1.007 268 E CA 0.768 57.152 56.400 -0.027 0.000 0.849 268 E CB 0.033 29.763 29.700 0.049 0.000 0.774 268 E HN 0.651 nan 8.360 nan 0.000 0.506 269 E N 0.251 120.444 120.200 -0.012 0.000 2.481 269 E HA 0.065 4.415 4.350 -0.001 0.000 0.198 269 E C 0.028 176.620 176.600 -0.013 0.000 1.027 269 E CA -0.261 56.135 56.400 -0.006 0.000 0.900 269 E CB 0.752 30.454 29.700 0.003 0.000 0.993 269 E HN -0.090 nan 8.360 nan 0.000 0.482 270 S N 1.899 117.585 115.700 -0.024 0.000 2.549 270 S HA -0.039 4.431 4.470 -0.001 0.000 0.286 270 S C 0.664 175.251 174.600 -0.022 0.000 1.314 270 S CA -0.278 57.910 58.200 -0.021 0.000 1.062 270 S CB 0.523 63.707 63.200 -0.027 0.000 0.865 270 S HN 0.232 nan 8.310 nan 0.000 0.498 271 D N 2.783 123.174 120.400 -0.016 0.000 2.369 271 D HA 0.172 4.812 4.640 -0.001 0.000 0.211 271 D C 0.641 176.926 176.300 -0.025 0.000 1.077 271 D CA 0.083 54.071 54.000 -0.019 0.000 0.842 271 D CB -0.117 40.676 40.800 -0.011 0.000 0.947 271 D HN 0.524 nan 8.370 nan 0.000 0.509 272 G N 0.970 109.759 108.800 -0.017 0.000 4.632 272 G HA2 0.327 4.286 3.960 -0.001 0.000 0.244 272 G HA3 0.327 4.286 3.960 -0.001 0.000 0.244 272 G C -1.041 173.868 174.900 0.016 0.000 1.070 272 G CA -0.565 44.527 45.100 -0.014 0.000 0.791 272 G HN 0.154 nan 8.290 nan 0.000 0.544 273 L N 1.581 122.806 121.223 0.004 0.000 2.342 273 L HA 0.583 4.923 4.340 -0.001 0.000 0.285 273 L C -0.900 176.041 176.870 0.119 0.000 1.095 273 L CA -1.093 53.769 54.840 0.038 0.000 0.843 273 L CB 0.102 42.150 42.059 -0.018 0.000 1.201 273 L HN 0.161 nan 8.230 nan 0.000 0.445 274 F N 6.811 126.752 119.950 -0.015 0.000 2.334 274 F HA 0.348 4.874 4.527 -0.001 0.000 0.365 274 F C -0.420 175.405 175.800 0.042 0.000 1.124 274 F CA -1.396 56.609 58.000 0.008 0.000 1.166 274 F CB 0.270 39.275 39.000 0.008 0.000 1.355 274 F HN 0.289 nan 8.300 nan 0.000 0.532 275 L N 7.349 128.835 121.223 0.439 0.000 2.401 275 L HA 0.117 4.456 4.340 -0.001 0.000 0.283 275 L C -0.180 176.876 176.870 0.311 0.000 1.151 275 L CA -0.555 54.464 54.840 0.299 0.000 0.942 275 L CB 0.145 42.351 42.059 0.245 0.000 1.283 275 L HN 0.381 nan 8.230 nan 0.000 0.442 276 L N 4.210 125.435 121.223 0.004 0.000 2.385 276 L HA 0.345 4.684 4.340 -0.001 0.000 0.285 276 L C 1.091 177.990 176.870 0.049 0.000 1.125 276 L CA 0.531 55.283 54.840 -0.146 0.000 0.890 276 L CB 0.214 41.983 42.059 -0.482 0.000 1.251 276 L HN 0.744 nan 8.230 nan 0.000 0.445 277 G N 3.318 112.219 108.800 0.169 0.000 2.176 277 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.252 277 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.252 277 G C 0.332 175.466 174.900 0.388 0.000 1.024 277 G CA 0.128 45.406 45.100 0.297 0.000 0.755 277 G HN 1.070 nan 8.290 nan 0.000 0.507 278 A N -0.309 122.707 122.820 0.328 0.000 2.316 278 A HA 0.770 5.089 4.320 -0.001 0.000 0.284 278 A C 0.603 178.048 177.584 -0.232 0.000 1.115 278 A CA -0.530 51.606 52.037 0.165 0.000 0.812 278 A CB 0.596 19.736 19.000 0.235 0.000 1.064 278 A HN 0.720 nan 8.150 nan 0.000 0.489 279 I N 2.396 122.806 120.570 -0.266 0.000 2.371 279 I HA 0.083 4.252 4.170 -0.001 0.000 0.290 279 I C -0.130 175.830 176.117 -0.263 0.000 1.028 279 I CA -0.015 60.975 61.300 -0.516 0.000 1.345 279 I CB 0.935 38.700 38.000 -0.391 0.000 1.407 279 I HN 0.499 nan 8.210 nan 0.000 0.501 280 L N 6.922 127.951 121.223 -0.323 0.000 2.437 280 L HA 0.120 4.460 4.340 -0.001 0.000 0.243 280 L C 0.775 177.616 176.870 -0.048 0.000 1.346 280 L CA -0.154 54.610 54.840 -0.128 0.000 1.233 280 L CB -0.919 40.973 42.059 -0.279 0.000 1.436 280 L HN 0.677 nan 8.230 nan 0.000 0.416 281 S N -2.324 113.365 115.700 -0.018 0.000 2.687 281 S HA 0.227 4.697 4.470 -0.001 0.000 0.283 281 S C 0.882 175.559 174.600 0.128 0.000 1.170 281 S CA -0.650 57.528 58.200 -0.037 0.000 1.008 281 S CB 1.731 64.819 63.200 -0.187 0.000 1.026 281 S HN 0.472 nan 8.310 nan 0.000 0.541 282 D N 0.938 121.420 120.400 0.137 0.000 2.144 282 D HA -0.159 4.481 4.640 -0.001 0.000 0.200 282 D C 1.902 178.247 176.300 0.076 0.000 0.978 282 D CA 1.869 55.934 54.000 0.107 0.000 0.833 282 D CB -1.570 39.286 40.800 0.093 0.000 0.961 282 D HN 0.720 nan 8.370 nan 0.000 0.470 283 T N -2.215 112.427 114.554 0.146 0.000 2.881 283 T HA -0.112 4.238 4.350 -0.001 0.000 0.270 283 T C 1.600 176.308 174.700 0.013 0.000 1.068 283 T CA 1.049 63.250 62.100 0.169 0.000 1.131 283 T CB -0.223 68.818 68.868 0.288 0.000 0.871 283 T HN -0.005 nan 8.240 nan 0.000 0.479 284 N N 0.117 118.774 118.700 -0.070 0.000 2.402 284 N HA 0.225 4.965 4.740 -0.001 0.000 0.174 284 N C 0.591 175.685 175.510 -0.694 0.000 1.027 284 N CA 0.634 53.444 53.050 -0.399 0.000 0.891 284 N CB 0.066 38.184 38.487 -0.615 0.000 1.016 284 N HN 0.489 nan 8.380 nan 0.000 0.439 285 F N -0.661 119.322 119.950 0.054 0.000 2.831 285 F HA 0.449 4.976 4.527 -0.001 0.000 0.334 285 F C 1.728 177.531 175.800 0.006 0.000 1.071 285 F CA -0.452 57.591 58.000 0.072 0.000 1.172 285 F CB -0.103 38.922 39.000 0.041 0.000 1.054 285 F HN -0.130 nan 8.300 nan 0.000 0.572 286 A N -0.282 122.587 122.820 0.083 0.000 2.066 286 A HA -0.022 4.297 4.320 -0.001 0.000 0.218 286 A C 2.036 179.560 177.584 -0.099 0.000 1.157 286 A CA 1.385 53.419 52.037 -0.005 0.000 0.670 286 A CB -0.711 18.262 19.000 -0.044 0.000 0.804 286 A HN 0.186 nan 8.150 nan 0.000 0.453 287 V N 1.340 121.151 119.914 -0.172 0.000 3.573 287 V HA 0.006 4.126 4.120 -0.001 0.000 0.270 287 V C 1.171 177.175 176.094 -0.150 0.000 1.221 287 V CA 0.902 63.049 62.300 -0.255 0.000 1.163 287 V CB -1.162 30.451 31.823 -0.349 0.000 0.847 287 V HN 0.671 nan 8.190 nan 0.000 0.468 288 S N -0.591 115.100 115.700 -0.014 0.000 2.537 288 S HA 0.008 4.478 4.470 -0.001 0.000 0.286 288 S C 0.972 175.596 174.600 0.040 0.000 1.299 288 S CA 0.559 58.821 58.200 0.104 0.000 1.067 288 S CB 1.232 64.570 63.200 0.230 0.000 0.864 288 S HN 0.660 nan 8.310 nan 0.000 0.494 289 Q N 3.086 122.917 119.800 0.051 0.000 2.046 289 Q HA -0.055 4.284 4.340 -0.001 0.000 0.200 289 Q C 0.139 176.156 176.000 0.028 0.000 0.975 289 Q CA 0.969 56.784 55.803 0.021 0.000 0.836 289 Q CB 0.138 28.893 28.738 0.029 0.000 0.896 289 Q HN 0.811 nan 8.270 nan 0.000 0.428 290 R N 1.769 122.300 120.500 0.052 0.000 2.338 290 R HA 0.222 4.562 4.340 -0.001 0.000 0.317 290 R C -0.957 175.370 176.300 0.044 0.000 0.968 290 R CA -0.602 55.521 56.100 0.038 0.000 0.849 290 R CB 1.073 31.395 30.300 0.036 0.000 1.128 290 R HN 0.090 nan 8.270 nan 0.000 0.448 291 K N 3.214 123.630 120.400 0.026 0.000 2.441 291 K HA -0.050 4.270 4.320 -0.001 0.000 0.273 291 K C -0.414 176.196 176.600 0.017 0.000 1.090 291 K CA 0.572 56.872 56.287 0.022 0.000 1.158 291 K CB 0.169 32.674 32.500 0.008 0.000 0.847 291 K HN 0.501 nan 8.250 nan 0.000 0.483 292 I N 2.883 123.465 120.570 0.019 0.000 2.342 292 I HA 0.005 4.175 4.170 -0.001 0.000 0.291 292 I C 0.201 176.279 176.117 -0.066 0.000 1.010 292 I CA -0.596 60.693 61.300 -0.018 0.000 1.308 292 I CB 1.033 39.025 38.000 -0.014 0.000 1.400 292 I HN 0.709 nan 8.210 nan 0.000 0.488 293 D N 7.244 127.605 120.400 -0.066 0.000 2.422 293 D HA 0.142 4.781 4.640 -0.001 0.000 0.227 293 D C 1.015 177.239 176.300 -0.127 0.000 1.190 293 D CA -0.039 53.919 54.000 -0.071 0.000 0.905 293 D CB 0.882 41.662 40.800 -0.033 0.000 1.034 293 D HN 0.445 nan 8.370 nan 0.000 0.507 294 L N 3.319 124.439 121.223 -0.173 0.000 2.191 294 L HA -0.115 4.225 4.340 -0.001 0.000 0.212 294 L C 2.359 179.109 176.870 -0.200 0.000 1.103 294 L CA 0.741 55.432 54.840 -0.248 0.000 0.769 294 L CB -0.163 41.714 42.059 -0.304 0.000 0.908 294 L HN 0.281 nan 8.230 nan 0.000 0.438 295 R N 0.054 120.466 120.500 -0.146 0.000 2.235 295 R HA -0.058 4.281 4.340 -0.001 0.000 0.213 295 R C 1.508 177.601 176.300 -0.343 0.000 1.059 295 R CA 0.535 56.518 56.100 -0.195 0.000 0.997 295 R CB -0.079 30.206 30.300 -0.026 0.000 0.884 295 R HN 0.262 nan 8.270 nan 0.000 0.462 296 K N 0.732 120.998 120.400 -0.224 0.000 2.404 296 K HA 0.031 4.350 4.320 -0.001 0.000 0.194 296 K C 0.978 177.464 176.600 -0.189 0.000 1.023 296 K CA 0.379 56.537 56.287 -0.214 0.000 1.094 296 K CB 0.497 32.932 32.500 -0.107 0.000 0.841 296 K HN 0.235 nan 8.250 nan 0.000 0.523 297 T N -2.030 112.411 114.554 -0.189 0.000 2.923 297 T HA 0.578 4.928 4.350 -0.001 0.000 0.281 297 T C 0.392 175.010 174.700 -0.137 0.000 0.995 297 T CA -0.769 61.246 62.100 -0.141 0.000 0.985 297 T CB 1.387 70.171 68.868 -0.140 0.000 1.114 297 T HN -0.069 nan 8.240 nan 0.000 0.548 298 I N 1.910 122.429 120.570 -0.086 0.000 2.339 298 I HA 0.311 4.480 4.170 -0.001 0.000 0.290 298 I C -0.620 175.571 176.117 0.123 0.000 0.994 298 I CA -0.716 60.509 61.300 -0.126 0.000 1.191 298 I CB 0.938 38.675 38.000 -0.437 0.000 1.343 298 I HN 0.715 nan 8.210 nan 0.000 0.458 299 H N 6.067 125.140 119.070 0.005 0.000 2.646 299 H HA 0.690 5.245 4.556 -0.001 0.000 0.328 299 H C -1.032 174.401 175.328 0.175 0.000 0.998 299 H CA -0.752 55.358 56.048 0.103 0.000 1.225 299 H CB 1.564 31.337 29.762 0.018 0.000 1.457 299 H HN 0.629 nan 8.280 nan 0.000 0.505 300 A N 5.710 128.562 122.820 0.053 0.000 2.267 300 A HA 0.601 4.921 4.320 -0.001 0.000 0.315 300 A C -1.594 175.951 177.584 -0.065 0.000 1.297 300 A CA -0.531 51.517 52.037 0.018 0.000 0.865 300 A CB -0.345 18.790 19.000 0.226 0.000 1.165 300 A HN 0.552 nan 8.150 nan 0.000 0.513 301 F N 1.589 121.331 119.950 -0.347 0.000 2.703 301 F HA 0.397 4.923 4.527 -0.001 0.000 0.308 301 F C -0.720 175.025 175.800 -0.092 0.000 1.126 301 F CA -0.507 57.360 58.000 -0.222 0.000 0.959 301 F CB 1.491 40.280 39.000 -0.351 0.000 1.297 301 F HN 0.632 nan 8.300 nan 0.000 0.441 302 D N 4.274 124.197 120.400 -0.795 0.000 2.689 302 D HA -0.231 4.409 4.640 -0.001 0.000 0.237 302 D C 0.300 176.501 176.300 -0.164 0.000 1.148 302 D CA 1.507 55.219 54.000 -0.480 0.000 0.656 302 D CB -0.467 40.164 40.800 -0.282 0.000 1.050 302 D HN 0.829 nan 8.370 nan 0.000 0.426 303 R N -3.229 117.180 120.500 -0.152 0.000 3.641 303 R HA -0.164 4.176 4.340 -0.001 0.000 0.286 303 R C 0.131 176.428 176.300 -0.006 0.000 1.153 303 R CA 1.292 57.347 56.100 -0.075 0.000 0.775 303 R CB -1.804 28.484 30.300 -0.020 0.000 1.215 303 R HN 0.435 nan 8.270 nan 0.000 0.474 304 A N -0.573 122.244 122.820 -0.004 0.000 2.594 304 A HA 0.798 5.117 4.320 -0.001 0.000 0.291 304 A C -0.845 176.765 177.584 0.044 0.000 1.105 304 A CA -0.562 51.505 52.037 0.049 0.000 0.694 304 A CB 2.212 21.254 19.000 0.071 0.000 1.291 304 A HN 0.011 nan 8.150 nan 0.000 0.410 305 V N 0.840 120.815 119.914 0.102 0.000 2.623 305 V HA 0.674 4.793 4.120 -0.001 0.000 0.304 305 V C -0.460 175.719 176.094 0.143 0.000 1.054 305 V CA -0.338 62.020 62.300 0.095 0.000 0.882 305 V CB 2.011 33.872 31.823 0.063 0.000 1.002 305 V HN 0.964 nan 8.190 nan 0.000 0.424 306 T N 6.646 121.245 114.554 0.074 0.000 2.841 306 T HA 0.880 5.230 4.350 -0.001 0.000 0.283 306 T C -0.743 173.900 174.700 -0.094 0.000 1.000 306 T CA -0.452 61.655 62.100 0.012 0.000 0.977 306 T CB 1.357 70.254 68.868 0.048 0.000 0.979 306 T HN 0.834 nan 8.240 nan 0.000 0.446 307 L N -0.902 120.153 121.223 -0.280 0.000 2.789 307 L HA 0.722 5.062 4.340 -0.001 0.000 0.258 307 L C 0.289 176.760 176.870 -0.665 0.000 0.966 307 L CA -0.847 53.767 54.840 -0.376 0.000 0.916 307 L CB 0.909 42.806 42.059 -0.269 0.000 1.475 307 L HN 0.779 nan 8.230 nan 0.000 0.418 308 G N 0.828 109.316 108.800 -0.520 0.000 2.283 308 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.280 308 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.280 308 G C 0.114 174.905 174.900 -0.181 0.000 1.029 308 G CA 1.007 45.891 45.100 -0.360 0.000 0.840 308 G HN 1.665 nan 8.290 nan 0.000 0.505 309 Y N -2.646 117.572 120.300 -0.137 0.000 4.798 309 Y HA -0.235 4.314 4.550 -0.001 0.000 0.237 309 Y C 1.116 177.019 175.900 0.006 0.000 1.017 309 Y CA 1.611 59.686 58.100 -0.042 0.000 2.010 309 Y CB -2.647 35.823 38.460 0.017 0.000 1.582 309 Y HN 1.166 nan 8.280 nan 0.000 0.621 310 H N -2.554 116.532 119.070 0.027 0.000 2.928 310 H HA 0.840 5.396 4.556 -0.001 0.000 0.371 310 H C -0.737 174.556 175.328 -0.059 0.000 1.186 310 H CA -0.494 55.535 56.048 -0.030 0.000 1.134 310 H CB 2.209 31.914 29.762 -0.095 0.000 1.824 310 H HN -0.029 nan 8.280 nan 0.000 0.554 311 T N 1.928 116.515 114.554 0.055 0.000 2.829 311 T HA 0.296 4.646 4.350 -0.001 0.000 0.280 311 T C -0.948 173.746 174.700 -0.009 0.000 0.999 311 T CA -0.527 61.596 62.100 0.040 0.000 0.983 311 T CB 0.675 69.579 68.868 0.060 0.000 0.968 311 T HN 0.393 nan 8.240 nan 0.000 0.446 312 Y N 1.755 122.106 120.300 0.085 0.000 2.353 312 Y HA 0.563 5.113 4.550 -0.000 0.000 0.340 312 Y C 0.656 176.583 175.900 0.045 0.000 0.972 312 Y CA -0.763 57.377 58.100 0.067 0.000 1.157 312 Y CB 0.807 39.300 38.460 0.056 0.000 1.157 312 Y HN 0.810 nan 8.280 nan 0.000 0.495 313 A N 2.094 125.012 122.820 0.164 0.000 2.286 313 A HA 0.393 4.713 4.320 -0.001 0.000 0.286 313 A C 0.236 177.886 177.584 0.109 0.000 1.097 313 A CA -0.450 51.656 52.037 0.114 0.000 0.821 313 A CB 0.099 19.145 19.000 0.076 0.000 1.076 313 A HN 0.896 nan 8.150 nan 0.000 0.490 314 D N -0.640 119.814 120.400 0.091 0.000 2.689 314 D HA -0.129 4.511 4.640 -0.001 0.000 0.237 314 D C -0.618 175.721 176.300 0.065 0.000 1.148 314 D CA 0.909 54.962 54.000 0.089 0.000 0.656 314 D CB -0.974 39.876 40.800 0.085 0.000 1.050 314 D HN 0.323 nan 8.370 nan 0.000 0.426 315 I N 1.348 121.944 120.570 0.043 0.000 2.405 315 I HA 0.220 4.389 4.170 -0.001 0.000 0.280 315 I C -1.916 174.172 176.117 -0.049 0.000 1.027 315 I CA -1.906 59.395 61.300 0.002 0.000 1.161 315 I CB 1.263 39.265 38.000 0.004 0.000 1.300 315 I HN -0.236 nan 8.210 nan 0.000 0.463 316 P HA 0.079 nan 4.420 nan 0.000 0.275 316 P C 0.930 178.110 177.300 -0.199 0.000 1.227 316 P CA -0.480 62.499 63.100 -0.201 0.000 0.781 316 P CB 1.894 33.453 31.700 -0.234 0.000 0.906 317 L N 4.240 125.305 121.223 -0.264 0.000 2.043 317 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 317 L C 2.501 179.287 176.870 -0.140 0.000 1.075 317 L CA 2.599 57.344 54.840 -0.158 0.000 0.752 317 L CB -1.535 40.452 42.059 -0.120 0.000 0.891 317 L HN 0.504 nan 8.230 nan 0.000 0.432 318 A N -0.780 121.908 122.820 -0.220 0.000 1.877 318 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 318 A C 2.366 179.892 177.584 -0.098 0.000 1.186 318 A CA 1.677 53.631 52.037 -0.139 0.000 0.620 318 A CB -1.597 17.303 19.000 -0.167 0.000 0.822 318 A HN 0.525 nan 8.150 nan 0.000 0.443 319 G N -0.217 108.516 108.800 -0.113 0.000 2.440 319 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 319 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 319 G C 1.507 176.375 174.900 -0.054 0.000 1.154 319 G CA 1.285 46.340 45.100 -0.075 0.000 0.767 319 G HN 0.523 nan 8.290 nan 0.000 0.552 320 L N 0.733 121.926 121.223 -0.051 0.000 2.017 320 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 320 L C 2.914 179.785 176.870 0.003 0.000 1.073 320 L CA 1.481 56.308 54.840 -0.021 0.000 0.745 320 L CB -0.636 41.428 42.059 0.008 0.000 0.894 320 L HN 0.076 nan 8.230 nan 0.000 0.432 321 V N 0.159 120.070 119.914 -0.005 0.000 2.287 321 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 321 V C 2.329 178.420 176.094 -0.006 0.000 1.053 321 V CA 2.102 64.402 62.300 -0.001 0.000 1.027 321 V CB -0.815 30.995 31.823 -0.021 0.000 0.646 321 V HN 0.493 nan 8.190 nan 0.000 0.447 322 D N 0.230 120.620 120.400 -0.018 0.000 2.123 322 D HA -0.142 4.497 4.640 -0.001 0.000 0.196 322 D C 2.218 178.511 176.300 -0.012 0.000 0.992 322 D CA 1.661 55.651 54.000 -0.016 0.000 0.833 322 D CB -0.277 40.509 40.800 -0.023 0.000 0.954 322 D HN 0.461 nan 8.370 nan 0.000 0.455 323 A N 0.705 123.515 122.820 -0.016 0.000 1.902 323 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 323 A C 2.427 180.007 177.584 -0.007 0.000 1.181 323 A CA 0.888 52.915 52.037 -0.017 0.000 0.623 323 A CB -0.717 18.264 19.000 -0.031 0.000 0.818 323 A HN 0.193 nan 8.150 nan 0.000 0.443 324 L N -0.728 120.499 121.223 0.007 0.000 2.027 324 L HA -0.153 4.187 4.340 -0.001 0.000 0.206 324 L C 2.570 179.450 176.870 0.016 0.000 1.074 324 L CA 0.971 55.824 54.840 0.022 0.000 0.745 324 L CB -0.558 41.539 42.059 0.062 0.000 0.898 324 L HN 0.361 nan 8.230 nan 0.000 0.433 325 L N -0.314 120.916 121.223 0.011 0.000 2.042 325 L HA -0.251 4.089 4.340 -0.001 0.000 0.210 325 L C 2.486 179.358 176.870 0.003 0.000 1.076 325 L CA 1.423 56.267 54.840 0.007 0.000 0.749 325 L CB -0.504 41.556 42.059 0.001 0.000 0.893 325 L HN 0.314 nan 8.230 nan 0.000 0.432 326 E N -0.196 120.004 120.200 -0.000 0.000 2.265 326 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 326 E C 1.837 178.437 176.600 -0.001 0.000 0.996 326 E CA 0.796 57.194 56.400 -0.002 0.000 0.832 326 E CB 0.070 29.767 29.700 -0.006 0.000 0.756 326 E HN 0.433 nan 8.360 nan 0.000 0.491 327 R N -0.129 120.371 120.500 0.001 0.000 2.359 327 R HA 0.238 4.577 4.340 -0.001 0.000 0.231 327 R C -0.171 176.132 176.300 0.005 0.000 0.913 327 R CA -0.017 56.084 56.100 0.001 0.000 1.075 327 R CB 0.464 30.763 30.300 -0.002 0.000 1.087 327 R HN 0.000 nan 8.270 nan 0.000 0.515 328 L N 2.206 123.433 121.223 0.007 0.000 2.362 328 L HA 0.488 4.828 4.340 -0.001 0.000 0.275 328 L C -2.271 174.603 176.870 0.006 0.000 0.998 328 L CA -2.306 52.539 54.840 0.009 0.000 0.820 328 L CB 2.241 44.308 42.059 0.013 0.000 1.270 328 L HN -0.150 nan 8.230 nan 0.000 0.415 329 P HA 0.325 nan 4.420 nan 0.000 0.276 329 P C -2.688 174.615 177.300 0.005 0.000 1.244 329 P CA -1.728 61.374 63.100 0.005 0.000 0.801 329 P CB 0.171 31.873 31.700 0.004 0.000 1.006 330 P HA -0.084 nan 4.420 nan 0.000 0.266 330 P C 0.507 177.810 177.300 0.005 0.000 1.186 330 P CA 0.816 63.919 63.100 0.004 0.000 0.767 330 P CB -0.018 31.684 31.700 0.003 0.000 0.820 341 H N 1.573 120.575 119.070 -0.113 0.000 3.004 341 H HA 0.484 5.040 4.556 -0.000 0.000 0.316 341 H C 0.420 175.599 175.328 -0.248 0.000 1.014 341 H CA 0.991 56.952 56.048 -0.145 0.000 1.454 341 H CB 0.495 30.172 29.762 -0.140 0.000 1.472 341 H HN 0.615 nan 8.280 nan 0.000 0.571 342 A N 4.900 127.366 122.820 -0.589 0.000 2.407 342 A HA 0.213 4.533 4.320 -0.001 0.000 0.248 342 A C -0.891 176.397 177.584 -0.494 0.000 1.082 342 A CA -0.291 51.485 52.037 -0.435 0.000 0.785 342 A CB -0.027 18.816 19.000 -0.262 0.000 1.020 342 A HN 0.743 nan 8.150 nan 0.000 0.489 343 Y N 2.327 122.550 120.300 -0.129 0.000 2.313 343 Y HA 0.347 4.896 4.550 -0.001 0.000 0.332 343 Y C -1.508 174.361 175.900 -0.052 0.000 1.071 343 Y CA -2.074 55.989 58.100 -0.062 0.000 1.169 343 Y CB 0.637 39.085 38.460 -0.020 0.000 1.192 343 Y HN 0.503 nan 8.280 nan 0.000 0.487 344 P HA 0.033 nan 4.420 nan 0.000 0.264 344 P C -0.202 177.145 177.300 0.077 0.000 1.193 344 P CA 0.209 63.359 63.100 0.084 0.000 0.763 344 P CB 1.344 33.100 31.700 0.093 0.000 0.810 345 T N 0.334 114.915 114.554 0.044 0.000 2.681 345 T HA 0.599 4.949 4.350 -0.001 0.000 0.296 345 T C -0.226 174.483 174.700 0.014 0.000 1.157 345 T CA 0.280 62.397 62.100 0.028 0.000 1.025 345 T CB 0.635 69.519 68.868 0.027 0.000 1.441 345 T HN 0.658 nan 8.240 nan 0.000 0.504 346 G N 1.634 110.437 108.800 0.006 0.000 2.473 346 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.289 346 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.289 346 G C -0.347 174.554 174.900 0.001 0.000 1.084 346 G CA 0.228 45.329 45.100 0.002 0.000 1.215 346 G HN 1.025 nan 8.290 nan 0.000 0.527 347 L N 0.481 121.703 121.223 -0.001 0.000 2.360 347 L HA 0.497 4.836 4.340 -0.001 0.000 0.276 347 L C 0.833 177.700 176.870 -0.004 0.000 1.121 347 L CA -0.064 54.775 54.840 -0.002 0.000 0.845 347 L CB 0.636 42.693 42.059 -0.004 0.000 1.143 347 L HN 0.451 nan 8.230 nan 0.000 0.452 348 Q N 5.645 125.443 119.800 -0.004 0.000 2.472 348 Q HA 0.322 4.661 4.340 -0.001 0.000 0.227 348 Q C 0.192 176.188 176.000 -0.005 0.000 1.156 348 Q CA -0.100 55.700 55.803 -0.004 0.000 0.924 348 Q CB 0.681 29.417 28.738 -0.003 0.000 1.354 348 Q HN 0.833 nan 8.270 nan 0.000 0.525 349 A N 3.721 126.539 122.820 -0.005 0.000 3.052 349 A HA 0.081 4.400 4.320 -0.001 0.000 0.266 349 A C -0.124 177.457 177.584 -0.004 0.000 1.855 349 A CA -0.217 51.818 52.037 -0.004 0.000 1.473 349 A CB -0.650 18.349 19.000 -0.003 0.000 1.038 349 A HN 0.713 nan 8.150 nan 0.000 0.619 350 D N -0.639 119.758 120.400 -0.005 0.000 2.577 350 D HA 0.480 5.119 4.640 -0.001 0.000 0.248 350 D C 1.170 177.467 176.300 -0.005 0.000 1.181 350 D CA 0.244 54.241 54.000 -0.004 0.000 1.083 350 D CB -0.121 40.676 40.800 -0.004 0.000 1.198 350 D HN -0.012 nan 8.370 nan 0.000 0.626 351 G N -1.333 107.465 108.800 -0.004 0.000 3.189 351 G HA2 0.080 4.040 3.960 -0.001 0.000 0.225 351 G HA3 0.080 4.040 3.960 -0.001 0.000 0.225 351 G C 0.189 175.085 174.900 -0.005 0.000 1.159 351 G CA -0.176 44.922 45.100 -0.004 0.000 0.763 351 G HN 0.173 nan 8.290 nan 0.000 0.549 352 E N 1.220 121.416 120.200 -0.007 0.000 2.371 352 E HA 0.232 4.581 4.350 -0.001 0.000 0.257 352 E C -2.155 174.439 176.600 -0.011 0.000 1.134 352 E CA -2.097 54.299 56.400 -0.008 0.000 0.919 352 E CB 0.742 30.438 29.700 -0.007 0.000 1.025 352 E HN 0.079 nan 8.360 nan 0.000 0.438 353 P HA 0.139 nan 4.420 nan 0.000 0.272 353 P C -0.045 177.241 177.300 -0.024 0.000 1.223 353 P CA 0.076 63.167 63.100 -0.015 0.000 0.784 353 P CB 0.591 32.284 31.700 -0.012 0.000 0.923 354 I N 1.031 121.580 120.570 -0.035 0.000 2.428 354 I HA 0.390 4.559 4.170 -0.001 0.000 0.289 354 I C 0.793 176.871 176.117 -0.066 0.000 1.019 354 I CA -0.299 60.967 61.300 -0.057 0.000 1.351 354 I CB 0.935 38.887 38.000 -0.080 0.000 1.412 354 I HN 0.372 nan 8.210 nan 0.000 0.513 355 A N 7.407 130.185 122.820 -0.070 0.000 2.384 355 A HA 0.681 5.000 4.320 -0.001 0.000 0.312 355 A C -2.143 175.382 177.584 -0.098 0.000 1.113 355 A CA -1.681 50.319 52.037 -0.061 0.000 0.779 355 A CB 1.245 20.229 19.000 -0.026 0.000 1.307 355 A HN 0.461 nan 8.150 nan 0.000 0.436 356 P HA -0.224 nan 4.420 nan 0.000 0.217 356 P C 1.589 178.874 177.300 -0.025 0.000 1.162 356 P CA 1.750 64.803 63.100 -0.079 0.000 0.901 356 P CB -0.050 31.702 31.700 0.086 0.000 0.793 357 M N -1.022 118.591 119.600 0.022 0.000 2.267 357 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 357 M C 1.417 177.726 176.300 0.014 0.000 1.063 357 M CA 1.524 56.848 55.300 0.040 0.000 1.090 357 M CB -1.584 31.044 32.600 0.047 0.000 1.392 357 M HN 0.040 nan 8.290 nan 0.000 0.422 358 D N 0.386 120.774 120.400 -0.021 0.000 2.144 358 D HA -0.064 4.576 4.640 -0.001 0.000 0.200 358 D C 2.113 178.393 176.300 -0.032 0.000 0.978 358 D CA 1.104 55.089 54.000 -0.027 0.000 0.833 358 D CB 0.013 40.787 40.800 -0.043 0.000 0.961 358 D HN 0.394 nan 8.370 nan 0.000 0.470 359 I N 1.307 121.836 120.570 -0.069 0.000 2.252 359 I HA -0.221 3.949 4.170 -0.001 0.000 0.245 359 I C 2.596 178.729 176.117 0.026 0.000 1.102 359 I CA 0.727 61.993 61.300 -0.057 0.000 1.385 359 I CB -0.210 37.677 38.000 -0.188 0.000 1.064 359 I HN -0.098 nan 8.210 nan 0.000 0.414 360 A N 1.182 124.033 122.820 0.051 0.000 1.883 360 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 360 A C 2.401 180.014 177.584 0.047 0.000 1.186 360 A CA 1.600 53.684 52.037 0.078 0.000 0.624 360 A CB -0.590 18.472 19.000 0.105 0.000 0.822 360 A HN 0.317 nan 8.150 nan 0.000 0.444 361 R N -0.513 120.008 120.500 0.034 0.000 2.081 361 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 361 R C 2.513 178.817 176.300 0.006 0.000 1.131 361 R CA 1.216 57.328 56.100 0.020 0.000 0.960 361 R CB -0.534 29.775 30.300 0.015 0.000 0.856 361 R HN 0.518 nan 8.270 nan 0.000 0.436 362 A N 0.825 123.649 122.820 0.008 0.000 1.865 362 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 362 A C 2.397 179.985 177.584 0.006 0.000 1.191 362 A CA 1.656 53.697 52.037 0.008 0.000 0.623 362 A CB -0.747 18.264 19.000 0.018 0.000 0.826 362 A HN 0.118 nan 8.150 nan 0.000 0.444 363 V N 0.980 120.910 119.914 0.026 0.000 2.233 363 V HA -0.302 3.818 4.120 -0.001 0.000 0.247 363 V C 2.336 178.405 176.094 -0.043 0.000 1.050 363 V CA 2.339 64.653 62.300 0.024 0.000 1.010 363 V CB -1.090 30.765 31.823 0.055 0.000 0.637 363 V HN 0.578 nan 8.190 nan 0.000 0.444 364 N N 0.281 118.952 118.700 -0.048 0.000 2.149 364 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 364 N C 1.509 176.973 175.510 -0.077 0.000 1.019 364 N CA 1.603 54.599 53.050 -0.089 0.000 0.857 364 N CB -0.545 37.902 38.487 -0.066 0.000 0.997 364 N HN 0.502 nan 8.380 nan 0.000 0.426 365 D N 0.435 120.804 120.400 -0.053 0.000 2.117 365 D HA -0.053 4.587 4.640 -0.001 0.000 0.198 365 D C 1.998 178.249 176.300 -0.081 0.000 0.982 365 D CA 0.662 54.630 54.000 -0.052 0.000 0.828 365 D CB -0.095 40.685 40.800 -0.034 0.000 0.967 365 D HN 0.262 nan 8.370 nan 0.000 0.464 366 R N 0.346 120.779 120.500 -0.112 0.000 2.081 366 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 366 R C 2.375 178.565 176.300 -0.184 0.000 1.131 366 R CA 0.644 56.637 56.100 -0.178 0.000 0.960 366 R CB -0.322 29.796 30.300 -0.303 0.000 0.856 366 R HN 0.077 nan 8.270 nan 0.000 0.436 367 V N 1.018 120.831 119.914 -0.168 0.000 2.261 367 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 367 V C 2.358 178.388 176.094 -0.105 0.000 1.047 367 V CA 1.644 63.857 62.300 -0.145 0.000 1.015 367 V CB -0.435 31.302 31.823 -0.142 0.000 0.642 367 V HN 0.260 nan 8.190 nan 0.000 0.446 368 R N 0.358 120.805 120.500 -0.088 0.000 2.159 368 R HA -0.063 4.276 4.340 -0.001 0.000 0.237 368 R C 2.144 178.411 176.300 -0.055 0.000 1.131 368 R CA 1.435 57.500 56.100 -0.058 0.000 0.982 368 R CB -1.191 29.085 30.300 -0.041 0.000 0.868 368 R HN 0.556 nan 8.270 nan 0.000 0.453 369 A N -0.661 122.117 122.820 -0.069 0.000 2.206 369 A HA 0.226 4.546 4.320 -0.001 0.000 0.211 369 A C 1.432 178.976 177.584 -0.067 0.000 1.158 369 A CA 1.268 53.267 52.037 -0.063 0.000 0.761 369 A CB 0.057 19.014 19.000 -0.072 0.000 0.801 369 A HN 0.428 nan 8.150 nan 0.000 0.473 370 G N -1.848 106.906 108.800 -0.076 0.000 2.318 370 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.172 370 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.172 370 G C 0.193 175.042 174.900 -0.085 0.000 1.002 370 G CA 0.117 45.176 45.100 -0.068 0.000 0.697 370 G HN 0.625 nan 8.290 nan 0.000 0.483 371 Q N 1.168 120.889 119.800 -0.132 0.000 2.296 371 Q HA 0.418 4.758 4.340 -0.001 0.000 0.262 371 Q C 0.136 176.068 176.000 -0.114 0.000 0.981 371 Q CA -0.222 55.483 55.803 -0.163 0.000 0.905 371 Q CB 0.732 29.271 28.738 -0.332 0.000 1.186 371 Q HN 0.330 nan 8.270 nan 0.000 0.399 372 E N 6.827 126.989 120.200 -0.063 0.000 2.417 372 E HA 0.095 4.444 4.350 -0.001 0.000 0.261 372 E C -2.163 174.423 176.600 -0.023 0.000 1.000 372 E CA -1.218 55.163 56.400 -0.031 0.000 0.919 372 E CB 0.531 30.230 29.700 -0.002 0.000 0.955 372 E HN 0.377 nan 8.360 nan 0.000 0.455 373 P HA -0.035 nan 4.420 nan 0.000 0.270 373 P C -0.592 176.735 177.300 0.045 0.000 1.227 373 P CA 0.258 63.350 63.100 -0.012 0.000 0.788 373 P CB 0.561 32.236 31.700 -0.042 0.000 0.926 374 L N 0.980 122.252 121.223 0.081 0.000 2.334 374 L HA 0.431 4.770 4.340 -0.001 0.000 0.273 374 L C 0.820 177.735 176.870 0.075 0.000 1.013 374 L CA -1.404 53.499 54.840 0.106 0.000 0.816 374 L CB 1.584 43.738 42.059 0.159 0.000 1.278 374 L HN 0.331 nan 8.230 nan 0.000 0.431 375 L N 2.610 123.886 121.223 0.088 0.000 2.483 375 L HA 0.281 4.620 4.340 -0.001 0.000 0.276 375 L C -0.587 176.320 176.870 0.062 0.000 1.213 375 L CA 0.437 55.325 54.840 0.081 0.000 0.843 375 L CB 0.483 42.638 42.059 0.159 0.000 1.107 375 L HN 0.392 nan 8.230 nan 0.000 0.487 376 I N 4.721 125.313 120.570 0.036 0.000 2.404 376 I HA 0.493 4.663 4.170 -0.001 0.000 0.293 376 I C -0.162 175.959 176.117 0.007 0.000 0.992 376 I CA -0.552 60.757 61.300 0.015 0.000 1.149 376 I CB 1.754 39.754 38.000 0.000 0.000 1.315 376 I HN 0.742 nan 8.210 nan 0.000 0.446 377 A N 5.393 128.204 122.820 -0.014 0.000 2.288 377 A HA 0.888 5.208 4.320 -0.001 0.000 0.320 377 A C -0.499 177.062 177.584 -0.039 0.000 1.217 377 A CA -0.413 51.614 52.037 -0.016 0.000 0.840 377 A CB 0.990 19.935 19.000 -0.092 0.000 1.179 377 A HN 0.780 nan 8.150 nan 0.000 0.504 378 A N 2.411 125.231 122.820 0.000 0.000 2.371 378 A HA 0.676 4.995 4.320 -0.001 0.000 0.311 378 A C -0.534 177.026 177.584 -0.039 0.000 1.068 378 A CA -0.568 51.423 52.037 -0.076 0.000 0.744 378 A CB 1.010 19.922 19.000 -0.146 0.000 1.239 378 A HN 0.796 nan 8.150 nan 0.000 0.435 379 D N 0.740 121.070 120.400 -0.117 0.000 2.451 379 D HA 0.440 5.080 4.640 -0.001 0.000 0.259 379 D C -0.364 175.845 176.300 -0.152 0.000 1.201 379 D CA -0.251 53.679 54.000 -0.116 0.000 1.028 379 D CB 1.068 41.773 40.800 -0.159 0.000 1.095 379 D HN 0.458 nan 8.370 nan 0.000 0.539 380 M N 0.322 119.844 119.600 -0.131 0.000 2.233 380 M HA 0.457 4.937 4.480 -0.001 0.000 0.355 380 M C -0.109 176.168 176.300 -0.038 0.000 1.191 380 M CA 0.221 55.463 55.300 -0.097 0.000 1.101 380 M CB 0.436 32.984 32.600 -0.087 0.000 1.592 380 M HN 0.479 nan 8.290 nan 0.000 0.461 381 G N 3.689 112.513 108.800 0.041 0.000 2.340 381 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.282 381 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.282 381 G C -0.488 174.528 174.900 0.194 0.000 1.312 381 G CA -0.156 45.009 45.100 0.107 0.000 0.942 381 G HN 0.602 nan 8.290 nan 0.000 0.495 382 D N -0.507 120.001 120.400 0.180 0.000 2.309 382 D HA -0.098 4.541 4.640 -0.001 0.000 0.212 382 D C 2.562 178.949 176.300 0.145 0.000 0.968 382 D CA 2.307 56.455 54.000 0.247 0.000 0.882 382 D CB -0.362 40.579 40.800 0.234 0.000 0.918 382 D HN 0.770 nan 8.370 nan 0.000 0.503 383 C N -0.730 118.457 119.300 -0.188 0.000 2.422 383 C HA -0.040 4.419 4.460 -0.001 0.000 0.279 383 C C 2.496 177.325 174.990 -0.268 0.000 1.305 383 C CA 0.212 58.844 59.018 -0.644 0.000 1.757 383 C CB -1.475 25.730 27.740 -0.892 0.000 1.962 383 C HN 0.340 nan 8.230 nan 0.000 0.499 384 L N 0.266 121.380 121.223 -0.182 0.000 2.072 384 L HA 0.233 4.573 4.340 -0.001 0.000 0.205 384 L C 2.191 178.896 176.870 -0.276 0.000 1.079 384 L CA 1.730 56.401 54.840 -0.282 0.000 0.752 384 L CB -1.100 40.711 42.059 -0.414 0.000 0.906 384 L HN 0.271 nan 8.230 nan 0.000 0.436 385 F N -0.536 119.406 119.950 -0.013 0.000 2.451 385 F HA -0.082 4.444 4.527 -0.001 0.000 0.299 385 F C 2.193 178.034 175.800 0.070 0.000 1.101 385 F CA 1.351 59.376 58.000 0.042 0.000 1.436 385 F CB -0.893 38.111 39.000 0.006 0.000 1.074 385 F HN 0.055 nan 8.300 nan 0.000 0.553 386 T N -0.800 113.887 114.554 0.222 0.000 2.976 386 T HA 0.041 4.391 4.350 -0.001 0.000 0.257 386 T C 2.285 177.082 174.700 0.161 0.000 1.051 386 T CA 0.915 63.157 62.100 0.236 0.000 1.141 386 T CB -0.307 68.802 68.868 0.402 0.000 0.881 386 T HN 0.245 nan 8.240 nan 0.000 0.461 387 A N 1.825 124.687 122.820 0.069 0.000 2.067 387 A HA 0.023 4.342 4.320 -0.001 0.000 0.219 387 A C 2.174 179.774 177.584 0.027 0.000 1.158 387 A CA 0.914 52.968 52.037 0.027 0.000 0.661 387 A CB -0.586 18.378 19.000 -0.060 0.000 0.801 387 A HN 0.294 nan 8.150 nan 0.000 0.452 388 M N -0.019 119.592 119.600 0.018 0.000 2.358 388 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 388 M C 0.161 176.549 176.300 0.146 0.000 1.064 388 M CA 1.142 56.464 55.300 0.038 0.000 1.093 388 M CB -0.765 31.871 32.600 0.059 0.000 1.401 388 M HN 0.270 nan 8.290 nan 0.000 0.440 389 D N -0.173 120.336 120.400 0.182 0.000 2.559 389 D HA 0.290 4.930 4.640 -0.001 0.000 0.234 389 D C 0.070 176.536 176.300 0.277 0.000 1.226 389 D CA 0.130 54.290 54.000 0.268 0.000 0.830 389 D CB 0.527 41.462 40.800 0.225 0.000 1.028 389 D HN 0.286 nan 8.370 nan 0.000 0.492 390 M N 0.477 120.185 119.600 0.181 0.000 2.578 390 M HA 0.412 4.891 4.480 -0.001 0.000 0.321 390 M C 0.127 176.340 176.300 -0.145 0.000 1.182 390 M CA -0.788 54.532 55.300 0.032 0.000 0.965 390 M CB 2.673 35.294 32.600 0.035 0.000 1.694 390 M HN -0.281 nan 8.290 nan 0.000 0.461 391 I N 2.036 122.370 120.570 -0.395 0.000 2.474 391 I HA 0.128 4.298 4.170 -0.001 0.000 0.287 391 I C -0.464 175.530 176.117 -0.204 0.000 1.048 391 I CA 0.033 61.002 61.300 -0.552 0.000 1.383 391 I CB 0.589 38.250 38.000 -0.565 0.000 1.412 391 I HN 0.696 nan 8.210 nan 0.000 0.531 392 D N 4.344 124.670 120.400 -0.123 0.000 2.579 392 D HA 0.580 5.220 4.640 -0.001 0.000 0.257 392 D C -0.615 175.670 176.300 -0.024 0.000 1.176 392 D CA -0.814 53.159 54.000 -0.044 0.000 0.914 392 D CB 1.737 42.526 40.800 -0.018 0.000 1.431 392 D HN 0.435 nan 8.370 nan 0.000 0.454 393 A N 0.190 123.008 122.820 -0.004 0.000 2.827 393 A HA 0.752 5.071 4.320 -0.001 0.000 0.300 393 A C 0.740 178.316 177.584 -0.012 0.000 1.237 393 A CA 0.259 52.294 52.037 -0.004 0.000 0.964 393 A CB -0.999 18.010 19.000 0.014 0.000 1.143 393 A HN 1.438 nan 8.150 nan 0.000 0.554 394 G N -0.814 107.978 108.800 -0.013 0.000 2.484 394 G HA2 0.311 4.271 3.960 -0.001 0.000 0.685 394 G HA3 0.311 4.271 3.960 -0.001 0.000 0.685 394 G C -1.292 173.601 174.900 -0.012 0.000 1.294 394 G CA -0.312 44.773 45.100 -0.024 0.000 0.879 394 G HN 1.210 nan 8.290 nan 0.000 0.646 395 L N 1.416 122.625 121.223 -0.024 0.000 2.493 395 L HA 0.883 5.223 4.340 -0.001 0.000 0.265 395 L C -0.082 176.771 176.870 -0.029 0.000 0.954 395 L CA -1.183 53.639 54.840 -0.030 0.000 0.844 395 L CB 1.878 43.897 42.059 -0.068 0.000 1.302 395 L HN 1.006 nan 8.230 nan 0.000 0.405 396 M N 4.295 123.906 119.600 0.019 0.000 2.321 396 M HA 0.970 5.450 4.480 -0.001 0.000 0.315 396 M C -1.021 175.325 176.300 0.078 0.000 1.052 396 M CA -0.416 54.926 55.300 0.070 0.000 0.936 396 M CB 1.966 34.688 32.600 0.202 0.000 1.639 396 M HN 0.590 nan 8.290 nan 0.000 0.433 397 A N 3.014 125.737 122.820 -0.161 0.000 2.612 397 A HA 0.832 5.152 4.320 -0.001 0.000 0.293 397 A C -2.894 174.300 177.584 -0.650 0.000 1.075 397 A CA -1.104 50.699 52.037 -0.390 0.000 0.680 397 A CB 1.436 20.240 19.000 -0.328 0.000 1.279 397 A HN 0.682 nan 8.150 nan 0.000 0.411 398 P HA 0.124 nan 4.420 nan 0.000 0.226 398 P C 0.995 178.156 177.300 -0.231 0.000 1.783 398 P CA 0.552 63.331 63.100 -0.534 0.000 0.980 398 P CB -0.290 31.124 31.700 -0.477 0.000 1.967 399 G N 0.040 108.718 108.800 -0.204 0.000 2.586 399 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.215 399 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.215 399 G C 0.909 175.938 174.900 0.214 0.000 1.128 399 G CA 0.514 45.579 45.100 -0.060 0.000 0.774 399 G HN 0.358 nan 8.290 nan 0.000 0.543 400 Y N -1.835 118.492 120.300 0.045 0.000 2.784 400 Y HA 0.263 4.812 4.550 -0.002 0.000 0.267 400 Y C 1.967 177.945 175.900 0.131 0.000 1.117 400 Y CA -0.392 57.773 58.100 0.109 0.000 1.231 400 Y CB -0.386 38.142 38.460 0.112 0.000 1.441 400 Y HN 0.041 nan 8.280 nan 0.000 0.469 401 Y N 1.974 122.082 120.300 -0.320 0.000 2.293 401 Y HA 0.200 4.749 4.550 -0.002 0.000 0.291 401 Y C 1.826 177.607 175.900 -0.198 0.000 1.137 401 Y CA 1.778 59.645 58.100 -0.388 0.000 1.202 401 Y CB -0.616 37.691 38.460 -0.254 0.000 0.990 401 Y HN 0.318 nan 8.280 nan 0.000 0.537 402 A N -0.138 122.604 122.820 -0.131 0.000 2.832 402 A HA -0.177 4.142 4.320 -0.001 0.000 0.280 402 A C 0.899 178.348 177.584 -0.225 0.000 1.464 402 A CA 0.763 52.706 52.037 -0.156 0.000 0.804 402 A CB -2.164 16.778 19.000 -0.096 0.000 1.020 402 A HN 0.821 nan 8.150 nan 0.000 0.563 403 G N -0.987 107.704 108.800 -0.182 0.000 2.356 403 G HA2 0.565 4.525 3.960 -0.001 0.000 0.298 403 G HA3 0.565 4.525 3.960 -0.001 0.000 0.298 403 G C 0.062 174.941 174.900 -0.035 0.000 1.145 403 G CA -0.402 44.633 45.100 -0.108 0.000 0.850 403 G HN 0.507 nan 8.290 nan 0.000 0.487 404 M N 1.103 120.672 119.600 -0.052 0.000 2.202 404 M HA 0.441 4.921 4.480 -0.001 0.000 0.316 404 M C 1.419 177.685 176.300 -0.056 0.000 1.138 404 M CA 1.317 56.574 55.300 -0.072 0.000 1.151 404 M CB 1.260 33.819 32.600 -0.068 0.000 1.422 404 M HN 0.926 nan 8.290 nan 0.000 0.471 405 G N 0.516 109.218 108.800 -0.163 0.000 2.218 405 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 405 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 405 G C 0.470 174.956 174.900 -0.689 0.000 0.994 405 G CA 0.310 45.286 45.100 -0.206 0.000 0.637 405 G HN 0.734 nan 8.290 nan 0.000 0.505 406 F N 2.259 121.522 119.950 -1.145 0.000 2.113 406 F HA 0.234 4.761 4.527 -0.000 0.000 0.297 406 F C 2.505 177.906 175.800 -0.665 0.000 1.103 406 F CA 2.597 59.767 58.000 -1.383 0.000 1.248 406 F CB -0.536 37.941 39.000 -0.871 0.000 0.999 406 F HN 0.228 nan 8.300 nan 0.000 0.475 407 G N 0.683 109.319 108.800 -0.273 0.000 2.764 407 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.219 407 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.219 407 G C 1.712 176.397 174.900 -0.359 0.000 1.259 407 G CA 2.050 46.998 45.100 -0.253 0.000 0.793 407 G HN 0.341 nan 8.290 nan 0.000 0.633 408 V N 2.822 122.520 119.914 -0.361 0.000 2.261 408 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 408 V C 0.351 176.233 176.094 -0.354 0.000 1.047 408 V CA 2.362 64.449 62.300 -0.355 0.000 1.015 408 V CB -1.155 30.401 31.823 -0.445 0.000 0.642 408 V HN 0.384 nan 8.190 nan 0.000 0.446 409 P HA -0.093 nan 4.420 nan 0.000 0.223 409 P C 1.481 178.536 177.300 -0.409 0.000 1.151 409 P CA 1.813 64.729 63.100 -0.306 0.000 0.787 409 P CB -0.022 31.587 31.700 -0.152 0.000 0.788 410 A N 0.558 123.021 122.820 -0.595 0.000 1.898 410 A HA 0.007 4.327 4.320 -0.001 0.000 0.216 410 A C 2.570 179.917 177.584 -0.396 0.000 1.181 410 A CA 1.840 53.469 52.037 -0.680 0.000 0.620 410 A CB -1.831 16.454 19.000 -1.191 0.000 0.819 410 A HN 0.275 nan 8.150 nan 0.000 0.442 411 G N -0.054 108.551 108.800 -0.325 0.000 2.408 411 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.217 411 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.217 411 G C 1.517 176.291 174.900 -0.210 0.000 1.150 411 G CA 1.052 46.021 45.100 -0.218 0.000 0.776 411 G HN 0.463 nan 8.290 nan 0.000 0.542 412 I N 1.124 121.554 120.570 -0.234 0.000 2.163 412 I HA -0.075 4.095 4.170 -0.001 0.000 0.240 412 I C 3.114 179.121 176.117 -0.184 0.000 1.081 412 I CA 1.078 62.262 61.300 -0.194 0.000 1.353 412 I CB -0.571 37.316 38.000 -0.189 0.000 1.054 412 I HN 0.247 nan 8.210 nan 0.000 0.407 413 G N 0.559 109.195 108.800 -0.275 0.000 2.446 413 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 413 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 413 G C 1.863 176.687 174.900 -0.127 0.000 1.168 413 G CA 0.927 45.855 45.100 -0.286 0.000 0.771 413 G HN 0.493 nan 8.290 nan 0.000 0.551 414 A N 0.310 123.001 122.820 -0.215 0.000 1.865 414 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 414 A C 2.315 179.623 177.584 -0.460 0.000 1.191 414 A CA 2.160 53.995 52.037 -0.338 0.000 0.623 414 A CB -0.654 18.211 19.000 -0.225 0.000 0.826 414 A HN 0.454 nan 8.150 nan 0.000 0.444 415 Q N -1.033 118.595 119.800 -0.286 0.000 2.170 415 Q HA -0.190 4.149 4.340 -0.001 0.000 0.203 415 Q C 2.012 177.900 176.000 -0.186 0.000 0.976 415 Q CA 1.745 57.409 55.803 -0.231 0.000 0.858 415 Q CB -0.438 28.213 28.738 -0.145 0.000 0.907 415 Q HN 0.692 nan 8.270 nan 0.000 0.433 416 C N -0.531 118.684 119.300 -0.143 0.000 2.410 416 C HA -0.089 4.371 4.460 -0.001 0.000 0.281 416 C C 2.148 177.105 174.990 -0.056 0.000 1.318 416 C CA 1.047 59.991 59.018 -0.124 0.000 1.776 416 C CB -0.664 27.020 27.740 -0.094 0.000 1.942 416 C HN 0.643 nan 8.230 nan 0.000 0.508 417 V N -1.105 118.750 119.914 -0.097 0.000 3.380 417 V HA 0.223 4.343 4.120 -0.001 0.000 0.307 417 V C 1.536 177.533 176.094 -0.161 0.000 1.434 417 V CA 1.024 63.282 62.300 -0.071 0.000 1.075 417 V CB -0.630 31.198 31.823 0.009 0.000 0.954 417 V HN 0.436 nan 8.190 nan 0.000 0.444 418 S N 0.588 116.115 115.700 -0.289 0.000 2.603 418 S HA 0.265 4.735 4.470 -0.001 0.000 0.220 418 S C 1.698 176.299 174.600 0.001 0.000 0.967 418 S CA 0.662 58.730 58.200 -0.220 0.000 0.920 418 S CB -0.631 62.404 63.200 -0.275 0.000 0.773 418 S HN 1.941 nan 8.310 nan 0.000 0.529 419 G N 0.623 109.422 108.800 -0.002 0.000 2.356 419 G HA2 0.075 4.034 3.960 -0.001 0.000 0.296 419 G HA3 0.075 4.034 3.960 -0.001 0.000 0.296 419 G C 1.049 175.964 174.900 0.024 0.000 1.022 419 G CA 0.417 45.532 45.100 0.025 0.000 0.961 419 G HN 1.840 nan 8.290 nan 0.000 0.510 420 G N -1.538 107.265 108.800 0.006 0.000 2.232 420 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.226 420 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.226 420 G C 0.468 175.381 174.900 0.020 0.000 0.996 420 G CA 0.662 45.769 45.100 0.013 0.000 0.626 420 G HN 0.973 nan 8.290 nan 0.000 0.509 421 K N 1.461 121.881 120.400 0.032 0.000 2.298 421 K HA 0.428 4.748 4.320 -0.001 0.000 0.280 421 K C 0.719 177.334 176.600 0.025 0.000 1.032 421 K CA -0.357 55.962 56.287 0.052 0.000 0.958 421 K CB 0.699 33.259 32.500 0.100 0.000 0.978 421 K HN 0.290 nan 8.250 nan 0.000 0.472 422 R N 2.097 122.617 120.500 0.033 0.000 2.539 422 R HA 0.292 4.632 4.340 -0.001 0.000 0.275 422 R C 0.056 176.361 176.300 0.008 0.000 1.077 422 R CA -0.553 55.547 56.100 0.000 0.000 1.097 422 R CB 0.500 30.788 30.300 -0.019 0.000 1.018 422 R HN 0.355 nan 8.270 nan 0.000 0.483 423 I N 3.114 123.666 120.570 -0.029 0.000 2.441 423 I HA 0.209 4.379 4.170 -0.001 0.000 0.295 423 I C -0.349 175.745 176.117 -0.037 0.000 0.994 423 I CA -1.097 60.191 61.300 -0.019 0.000 1.144 423 I CB 1.456 39.424 38.000 -0.054 0.000 1.314 423 I HN 0.395 nan 8.210 nan 0.000 0.445 424 L N 6.369 127.588 121.223 -0.007 0.000 2.264 424 L HA 0.499 4.839 4.340 -0.001 0.000 0.289 424 L C -0.101 176.755 176.870 -0.023 0.000 1.044 424 L CA 0.486 55.319 54.840 -0.012 0.000 0.807 424 L CB 1.079 43.169 42.059 0.050 0.000 1.192 424 L HN 0.602 nan 8.230 nan 0.000 0.425 425 T N 5.060 119.589 114.554 -0.041 0.000 2.797 425 T HA 0.635 4.985 4.350 -0.001 0.000 0.279 425 T C -0.740 173.930 174.700 -0.050 0.000 0.991 425 T CA -0.459 61.602 62.100 -0.065 0.000 0.979 425 T CB 1.440 70.248 68.868 -0.100 0.000 0.943 425 T HN 0.538 nan 8.240 nan 0.000 0.444 426 V N 1.291 121.148 119.914 -0.095 0.000 2.444 426 V HA 0.957 5.077 4.120 -0.001 0.000 0.294 426 V C -0.462 175.468 176.094 -0.273 0.000 1.022 426 V CA -0.845 61.356 62.300 -0.165 0.000 0.850 426 V CB 1.238 32.938 31.823 -0.205 0.000 0.992 426 V HN 0.704 nan 8.190 nan 0.000 0.426 427 V N 3.794 123.537 119.914 -0.285 0.000 3.012 427 V HA 0.951 5.071 4.120 -0.001 0.000 0.307 427 V C 0.475 176.429 176.094 -0.233 0.000 1.166 427 V CA 0.533 62.681 62.300 -0.254 0.000 0.974 427 V CB 2.196 33.924 31.823 -0.159 0.000 1.040 427 V HN 1.383 nan 8.190 nan 0.000 0.428 428 G N 2.637 111.326 108.800 -0.185 0.000 2.547 428 G HA2 0.350 4.309 3.960 -0.001 0.000 0.291 428 G HA3 0.350 4.309 3.960 -0.001 0.000 0.291 428 G C 0.585 175.433 174.900 -0.088 0.000 1.211 428 G CA 0.364 45.425 45.100 -0.065 0.000 0.950 428 G HN 0.939 nan 8.290 nan 0.000 0.504 429 D N -0.518 119.854 120.400 -0.046 0.000 2.144 429 D HA -0.104 4.536 4.640 -0.001 0.000 0.199 429 D C 2.176 178.422 176.300 -0.091 0.000 0.984 429 D CA 1.330 55.257 54.000 -0.123 0.000 0.834 429 D CB -0.806 40.064 40.800 0.116 0.000 0.955 429 D HN 0.472 nan 8.370 nan 0.000 0.465 430 G N 1.024 109.860 108.800 0.059 0.000 2.418 430 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.217 430 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.217 430 G C 1.858 176.828 174.900 0.116 0.000 1.158 430 G CA 1.545 46.780 45.100 0.225 0.000 0.771 430 G HN 0.510 nan 8.290 nan 0.000 0.545 431 A N 0.136 122.966 122.820 0.018 0.000 1.929 431 A HA 0.159 4.478 4.320 -0.001 0.000 0.216 431 A C 2.163 179.631 177.584 -0.194 0.000 1.176 431 A CA 1.289 53.282 52.037 -0.073 0.000 0.628 431 A CB -0.517 18.418 19.000 -0.109 0.000 0.816 431 A HN 0.358 nan 8.150 nan 0.000 0.444 432 F N 0.782 120.473 119.950 -0.430 0.000 2.216 432 F HA -0.210 4.317 4.527 -0.001 0.000 0.300 432 F C 2.492 177.840 175.800 -0.752 0.000 1.085 432 F CA 2.025 59.605 58.000 -0.700 0.000 1.326 432 F CB -0.130 38.238 39.000 -1.054 0.000 1.027 432 F HN 0.304 nan 8.300 nan 0.000 0.497 433 Q N -0.434 119.217 119.800 -0.248 0.000 2.170 433 Q HA -0.223 4.117 4.340 -0.001 0.000 0.203 433 Q C 2.122 178.280 176.000 0.263 0.000 0.976 433 Q CA 1.826 57.647 55.803 0.031 0.000 0.858 433 Q CB -0.153 28.527 28.738 -0.096 0.000 0.907 433 Q HN 0.524 nan 8.270 nan 0.000 0.433 434 M N -0.775 118.853 119.600 0.046 0.000 2.134 434 M HA -0.067 4.412 4.480 -0.001 0.000 0.262 434 M C 1.828 178.191 176.300 0.105 0.000 1.076 434 M CA 1.778 57.157 55.300 0.132 0.000 1.143 434 M CB 0.148 32.795 32.600 0.078 0.000 1.346 434 M HN 0.207 nan 8.290 nan 0.000 0.421 435 T N -4.585 109.862 114.554 -0.178 0.000 3.087 435 T HA 0.258 4.608 4.350 -0.001 0.000 0.283 435 T C 1.515 175.857 174.700 -0.597 0.000 0.956 435 T CA 0.241 62.219 62.100 -0.205 0.000 0.894 435 T CB -0.190 68.625 68.868 -0.088 0.000 1.160 435 T HN 0.359 nan 8.240 nan 0.000 0.532 436 G N 1.076 109.119 108.800 -1.261 0.000 2.479 436 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.220 436 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.220 436 G C 1.018 175.008 174.900 -1.516 0.000 1.115 436 G CA 0.445 44.299 45.100 -2.077 0.000 0.757 436 G HN 0.707 nan 8.290 nan 0.000 0.560 437 W N 1.024 121.960 121.300 -0.608 0.000 2.424 437 W HA 0.060 4.719 4.660 -0.001 0.000 0.264 437 W C 2.167 178.576 176.519 -0.182 0.000 1.229 437 W CA 0.398 57.610 57.345 -0.223 0.000 1.208 437 W CB 0.068 29.498 29.460 -0.050 0.000 1.127 437 W HN 0.126 nan 8.180 nan 0.000 0.588 438 E N 0.828 120.969 120.200 -0.099 0.000 2.331 438 E HA -0.158 4.192 4.350 -0.001 0.000 0.199 438 E C 1.953 178.467 176.600 -0.143 0.000 1.008 438 E CA 0.878 57.234 56.400 -0.074 0.000 0.843 438 E CB -0.611 29.028 29.700 -0.103 0.000 0.761 438 E HN 0.474 nan 8.360 nan 0.000 0.507 439 L N 0.069 121.114 121.223 -0.297 0.000 2.261 439 L HA -0.105 4.235 4.340 -0.001 0.000 0.216 439 L C 2.264 178.974 176.870 -0.267 0.000 1.114 439 L CA 0.954 55.497 54.840 -0.496 0.000 0.777 439 L CB -0.585 40.841 42.059 -1.056 0.000 0.910 439 L HN 0.149 nan 8.230 nan 0.000 0.440 440 G N -0.475 108.310 108.800 -0.025 0.000 2.586 440 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 440 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 440 G C 1.281 176.256 174.900 0.124 0.000 1.128 440 G CA 0.300 45.490 45.100 0.149 0.000 0.774 440 G HN 0.382 nan 8.290 nan 0.000 0.543 441 N N -0.390 118.347 118.700 0.061 0.000 2.325 441 N HA -0.026 4.713 4.740 -0.001 0.000 0.182 441 N C 1.854 177.400 175.510 0.060 0.000 1.088 441 N CA 0.107 53.195 53.050 0.064 0.000 0.879 441 N CB 0.027 38.544 38.487 0.049 0.000 0.983 441 N HN 0.188 nan 8.380 nan 0.000 0.471 442 C N 0.686 120.023 119.300 0.062 0.000 2.403 442 C HA -0.132 4.328 4.460 -0.001 0.000 0.277 442 C C 2.980 178.028 174.990 0.096 0.000 1.248 442 C CA 0.833 59.899 59.018 0.079 0.000 1.762 442 C CB -0.992 26.844 27.740 0.160 0.000 2.014 442 C HN 0.480 nan 8.230 nan 0.000 0.486 443 R N 0.691 121.268 120.500 0.128 0.000 2.070 443 R HA -0.098 4.242 4.340 -0.001 0.000 0.233 443 R C 2.348 178.688 176.300 0.067 0.000 1.137 443 R CA 1.996 58.153 56.100 0.094 0.000 0.945 443 R CB -0.929 29.430 30.300 0.099 0.000 0.845 443 R HN 0.754 nan 8.270 nan 0.000 0.430 444 R N -0.159 120.383 120.500 0.070 0.000 2.096 444 R HA 0.050 4.390 4.340 -0.001 0.000 0.235 444 R C 2.513 178.847 176.300 0.056 0.000 1.127 444 R CA 2.015 58.153 56.100 0.063 0.000 0.968 444 R CB -0.395 29.948 30.300 0.072 0.000 0.861 444 R HN 0.434 nan 8.270 nan 0.000 0.440 445 L N -0.490 120.756 121.223 0.039 0.000 2.291 445 L HA 0.119 4.459 4.340 -0.001 0.000 0.214 445 L C 1.108 177.964 176.870 -0.023 0.000 1.120 445 L CA 0.720 55.555 54.840 -0.009 0.000 0.799 445 L CB -0.024 41.992 42.059 -0.072 0.000 0.925 445 L HN 0.608 nan 8.230 nan 0.000 0.446 446 G N 1.481 110.285 108.800 0.006 0.000 2.212 446 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.255 446 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.255 446 G C 0.014 174.909 174.900 -0.008 0.000 1.062 446 G CA 0.403 45.507 45.100 0.006 0.000 0.815 446 G HN 0.443 nan 8.290 nan 0.000 0.497 447 I N -3.042 117.524 120.570 -0.006 0.000 2.892 447 I HA 0.866 5.036 4.170 -0.001 0.000 0.306 447 I C -0.788 175.343 176.117 0.024 0.000 1.078 447 I CA -1.226 60.065 61.300 -0.015 0.000 1.032 447 I CB 2.552 40.521 38.000 -0.052 0.000 1.229 447 I HN 0.012 nan 8.210 nan 0.000 0.435 448 D N 2.259 122.669 120.400 0.015 0.000 2.772 448 D HA 0.348 4.988 4.640 -0.001 0.000 0.326 448 D C -2.802 173.508 176.300 0.017 0.000 1.207 448 D CA -1.576 52.451 54.000 0.044 0.000 0.777 448 D CB 0.571 41.382 40.800 0.019 0.000 1.169 448 D HN 0.323 nan 8.370 nan 0.000 0.506 449 P HA 0.156 nan 4.420 nan 0.000 0.270 449 P C 0.063 177.350 177.300 -0.022 0.000 1.223 449 P CA -0.309 62.771 63.100 -0.033 0.000 0.785 449 P CB 1.494 33.159 31.700 -0.059 0.000 0.923 450 I N 1.370 121.885 120.570 -0.092 0.000 2.339 450 I HA 0.237 4.407 4.170 -0.001 0.000 0.290 450 I C -0.086 175.999 176.117 -0.054 0.000 0.994 450 I CA -0.879 60.351 61.300 -0.117 0.000 1.191 450 I CB 1.626 39.432 38.000 -0.322 0.000 1.343 450 I HN -0.010 nan 8.210 nan 0.000 0.458 451 V N 7.745 127.664 119.914 0.008 0.000 2.409 451 V HA 0.432 4.551 4.120 -0.001 0.000 0.291 451 V C -0.013 176.107 176.094 0.043 0.000 1.020 451 V CA -0.475 61.837 62.300 0.020 0.000 0.848 451 V CB 1.861 33.708 31.823 0.039 0.000 0.990 451 V HN 0.483 nan 8.190 nan 0.000 0.430 452 I N 5.827 126.437 120.570 0.067 0.000 2.330 452 I HA 0.381 4.551 4.170 -0.001 0.000 0.286 452 I C -0.297 175.938 176.117 0.195 0.000 1.025 452 I CA -0.234 61.148 61.300 0.137 0.000 1.197 452 I CB 1.330 39.460 38.000 0.217 0.000 1.358 452 I HN 0.437 nan 8.210 nan 0.000 0.467 453 L N 6.992 128.283 121.223 0.114 0.000 2.260 453 L HA 0.441 4.781 4.340 -0.001 0.000 0.289 453 L C -0.666 176.354 176.870 0.250 0.000 1.057 453 L CA -0.334 54.543 54.840 0.063 0.000 0.811 453 L CB 0.488 42.403 42.059 -0.240 0.000 1.184 453 L HN 0.455 nan 8.230 nan 0.000 0.429 454 F N 4.390 124.302 119.950 -0.062 0.000 2.509 454 F HA 0.142 4.669 4.527 -0.000 0.000 0.350 454 F C 0.689 176.485 175.800 -0.007 0.000 1.220 454 F CA -0.626 57.365 58.000 -0.016 0.000 1.151 454 F CB 0.228 39.233 39.000 0.007 0.000 1.379 454 F HN 0.547 nan 8.300 nan 0.000 0.610 455 N N 3.811 122.609 118.700 0.163 0.000 2.469 455 N HA 0.040 4.780 4.740 -0.001 0.000 0.239 455 N C -0.081 175.504 175.510 0.125 0.000 1.053 455 N CA -0.284 52.860 53.050 0.157 0.000 0.937 455 N CB 0.234 38.837 38.487 0.194 0.000 1.163 455 N HN 0.451 nan 8.380 nan 0.000 0.509 456 N N 2.300 121.076 118.700 0.126 0.000 2.282 456 N HA 0.141 4.881 4.740 -0.001 0.000 0.240 456 N C 0.028 175.587 175.510 0.081 0.000 1.182 456 N CA -0.176 52.931 53.050 0.094 0.000 0.874 456 N CB 0.056 38.603 38.487 0.100 0.000 1.126 456 N HN 0.338 nan 8.380 nan 0.000 0.516 457 A N -0.491 122.387 122.820 0.096 0.000 2.364 457 A HA 0.007 4.326 4.320 -0.001 0.000 0.288 457 A C 0.349 177.943 177.584 0.017 0.000 1.433 457 A CA 1.089 53.171 52.037 0.075 0.000 0.757 457 A CB -2.032 17.015 19.000 0.078 0.000 1.098 457 A HN 1.092 nan 8.150 nan 0.000 0.380 458 S N -0.955 114.743 115.700 -0.003 0.000 2.633 458 S HA 0.519 4.989 4.470 -0.001 0.000 0.271 458 S C -1.385 173.255 174.600 0.067 0.000 1.112 458 S CA -0.361 57.824 58.200 -0.026 0.000 0.828 458 S CB 0.391 63.618 63.200 0.046 0.000 1.086 458 S HN 1.060 nan 8.310 nan 0.000 0.461 459 W N 3.050 124.410 121.300 0.100 0.000 1.714 459 W HA 0.369 5.030 4.660 0.001 0.000 0.363 459 W C 1.162 177.740 176.519 0.098 0.000 0.724 459 W CA -0.605 56.798 57.345 0.097 0.000 1.804 459 W CB 0.066 29.598 29.460 0.120 0.000 1.900 459 W HN 0.937 nan 8.180 nan 0.000 0.296 460 E N 1.280 121.642 120.200 0.269 0.000 2.070 460 E HA -0.256 4.093 4.350 -0.001 0.000 0.197 460 E C 2.176 178.889 176.600 0.187 0.000 1.004 460 E CA 1.793 58.307 56.400 0.189 0.000 0.805 460 E CB -0.201 29.588 29.700 0.149 0.000 0.744 460 E HN 0.311 nan 8.360 nan 0.000 0.451 461 M N -0.521 119.199 119.600 0.199 0.000 2.106 461 M HA -0.214 4.266 4.480 -0.001 0.000 0.259 461 M C 1.981 178.468 176.300 0.312 0.000 1.068 461 M CA 1.396 56.822 55.300 0.211 0.000 1.100 461 M CB -0.160 32.565 32.600 0.208 0.000 1.351 461 M HN 0.200 nan 8.290 nan 0.000 0.404 462 L N -1.304 120.084 121.223 0.276 0.000 2.156 462 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 462 L C 2.550 179.581 176.870 0.269 0.000 1.095 462 L CA 0.969 55.974 54.840 0.275 0.000 0.770 462 L CB -0.696 41.506 42.059 0.238 0.000 0.914 462 L HN 0.354 nan 8.230 nan 0.000 0.439 463 R N 0.097 120.725 120.500 0.213 0.000 2.075 463 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 463 R C 2.120 178.483 176.300 0.105 0.000 1.126 463 R CA 1.777 57.951 56.100 0.123 0.000 0.963 463 R CB -0.216 30.139 30.300 0.093 0.000 0.858 463 R HN 0.179 nan 8.270 nan 0.000 0.435 464 T N 0.412 115.030 114.554 0.107 0.000 2.849 464 T HA -0.133 4.216 4.350 -0.001 0.000 0.270 464 T C 1.198 175.890 174.700 -0.014 0.000 1.066 464 T CA 1.274 63.388 62.100 0.022 0.000 1.130 464 T CB -0.216 68.641 68.868 -0.019 0.000 0.864 464 T HN 0.173 nan 8.240 nan 0.000 0.481 465 F N 0.781 120.739 119.950 0.015 0.000 2.335 465 F HA 0.193 4.720 4.527 0.000 0.000 0.296 465 F C 1.677 177.484 175.800 0.011 0.000 1.091 465 F CA 0.436 58.443 58.000 0.012 0.000 1.399 465 F CB 0.404 39.422 39.000 0.031 0.000 1.067 465 F HN 0.058 nan 8.300 nan 0.000 0.520 466 Q N -0.326 119.597 119.800 0.205 0.000 3.761 466 Q HA 0.194 4.533 4.340 -0.001 0.000 0.206 466 Q C -2.350 173.667 176.000 0.029 0.000 0.900 466 Q CA -1.501 54.367 55.803 0.108 0.000 0.737 466 Q CB 1.069 29.885 28.738 0.130 0.000 1.454 466 Q HN -0.034 nan 8.270 nan 0.000 0.448 467 P HA -0.276 nan 4.420 nan 0.000 0.217 467 P C 1.018 178.294 177.300 -0.040 0.000 1.148 467 P CA 1.515 64.608 63.100 -0.011 0.000 0.834 467 P CB 0.244 31.939 31.700 -0.009 0.000 0.783 468 E N -0.265 119.911 120.200 -0.041 0.000 2.106 468 E HA -0.075 4.275 4.350 -0.001 0.000 0.192 468 E C 0.479 177.016 176.600 -0.104 0.000 0.984 468 E CA 0.861 57.230 56.400 -0.052 0.000 0.806 468 E CB -1.097 28.587 29.700 -0.028 0.000 0.750 468 E HN 0.114 nan 8.360 nan 0.000 0.458 469 S N 0.793 116.378 115.700 -0.191 0.000 2.568 469 S HA 0.307 4.776 4.470 -0.001 0.000 0.282 469 S C 0.828 175.193 174.600 -0.391 0.000 1.338 469 S CA 0.136 58.098 58.200 -0.396 0.000 1.045 469 S CB 1.421 64.090 63.200 -0.884 0.000 0.873 469 S HN 0.499 nan 8.310 nan 0.000 0.516 470 A N 2.017 124.644 122.820 -0.322 0.000 2.115 470 A HA 0.194 4.514 4.320 -0.001 0.000 0.211 470 A C 1.338 178.871 177.584 -0.086 0.000 1.169 470 A CA 0.058 52.004 52.037 -0.152 0.000 0.787 470 A CB -0.468 18.509 19.000 -0.038 0.000 0.858 470 A HN 0.827 nan 8.150 nan 0.000 0.474 471 F N 0.219 120.232 119.950 0.104 0.000 2.641 471 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 471 F C 0.888 176.805 175.800 0.195 0.000 1.146 471 F CA 0.676 58.762 58.000 0.143 0.000 1.464 471 F CB -1.524 37.584 39.000 0.182 0.000 1.101 471 F HN 0.174 nan 8.300 nan 0.000 0.585 472 N N -0.294 118.516 118.700 0.183 0.000 2.322 472 N HA -0.033 4.707 4.740 -0.001 0.000 0.194 472 N C -0.491 175.037 175.510 0.031 0.000 1.126 472 N CA -0.083 53.155 53.050 0.313 0.000 0.845 472 N CB -0.089 38.560 38.487 0.270 0.000 0.976 472 N HN 0.157 nan 8.380 nan 0.000 0.475 473 D N 0.980 121.368 120.400 -0.020 0.000 2.304 473 D HA 0.249 4.889 4.640 -0.001 0.000 0.250 473 D C -0.213 176.006 176.300 -0.135 0.000 1.107 473 D CA 0.269 54.234 54.000 -0.057 0.000 0.885 473 D CB 1.333 42.121 40.800 -0.020 0.000 1.192 473 D HN 0.047 nan 8.370 nan 0.000 0.436 474 L N 1.710 122.860 121.223 -0.123 0.000 2.370 474 L HA 0.322 4.662 4.340 -0.001 0.000 0.266 474 L C 0.206 177.105 176.870 0.049 0.000 1.002 474 L CA -1.129 53.653 54.840 -0.097 0.000 0.818 474 L CB 2.026 43.956 42.059 -0.216 0.000 1.325 474 L HN 0.115 nan 8.230 nan 0.000 0.418 475 D N 0.348 120.838 120.400 0.150 0.000 2.369 475 D HA 0.066 4.705 4.640 -0.001 0.000 0.241 475 D C -0.493 175.954 176.300 0.245 0.000 1.271 475 D CA 0.281 54.363 54.000 0.136 0.000 0.942 475 D CB 0.623 41.448 40.800 0.042 0.000 1.129 475 D HN 0.415 nan 8.370 nan 0.000 0.476 476 D N 0.347 120.828 120.400 0.134 0.000 2.456 476 D HA 0.138 4.778 4.640 -0.001 0.000 0.219 476 D C -1.078 175.276 176.300 0.090 0.000 1.126 476 D CA -0.609 53.470 54.000 0.131 0.000 0.890 476 D CB 0.024 40.854 40.800 0.050 0.000 1.025 476 D HN 0.121 nan 8.370 nan 0.000 0.511 477 W N 3.645 124.757 121.300 -0.315 0.000 2.272 477 W HA 0.328 4.988 4.660 -0.001 0.000 0.318 477 W C 0.795 176.926 176.519 -0.647 0.000 1.255 477 W CA -0.845 56.160 57.345 -0.566 0.000 1.200 477 W CB 0.632 29.459 29.460 -1.055 0.000 1.170 477 W HN 0.127 nan 8.180 nan 0.000 0.549 478 R N 4.499 124.883 120.500 -0.194 0.000 3.701 478 R HA 0.092 4.432 4.340 -0.001 0.000 0.210 478 R C 0.704 176.969 176.300 -0.059 0.000 1.598 478 R CA -0.335 55.703 56.100 -0.103 0.000 1.427 478 R CB -1.178 29.101 30.300 -0.036 0.000 1.339 478 R HN 0.461 nan 8.270 nan 0.000 0.720 479 F N 1.125 121.141 119.950 0.111 0.000 2.126 479 F HA -0.233 4.293 4.527 -0.001 0.000 0.299 479 F C 2.445 178.252 175.800 0.012 0.000 1.096 479 F CA 1.688 59.688 58.000 -0.000 0.000 1.255 479 F CB -0.605 38.183 39.000 -0.354 0.000 0.997 479 F HN 0.403 nan 8.300 nan 0.000 0.479 480 A N -0.148 122.771 122.820 0.164 0.000 1.933 480 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 480 A C 1.958 179.610 177.584 0.113 0.000 1.175 480 A CA 1.983 54.090 52.037 0.116 0.000 0.628 480 A CB -0.781 18.263 19.000 0.073 0.000 0.814 480 A HN 0.292 nan 8.150 nan 0.000 0.444 481 D N -0.515 119.944 120.400 0.098 0.000 2.219 481 D HA -0.068 4.571 4.640 -0.001 0.000 0.205 481 D C 1.782 178.157 176.300 0.126 0.000 0.970 481 D CA 1.130 55.181 54.000 0.084 0.000 0.851 481 D CB -0.224 40.607 40.800 0.051 0.000 0.943 481 D HN 0.535 nan 8.370 nan 0.000 0.488 482 M N -0.018 119.703 119.600 0.201 0.000 2.541 482 M HA 0.142 4.622 4.480 -0.001 0.000 0.252 482 M C 2.110 178.610 176.300 0.332 0.000 1.125 482 M CA 0.096 55.563 55.300 0.279 0.000 1.091 482 M CB 0.305 33.160 32.600 0.424 0.000 1.420 482 M HN -0.099 nan 8.290 nan 0.000 0.486 483 A N 1.111 124.118 122.820 0.311 0.000 1.908 483 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 483 A C 2.422 180.136 177.584 0.218 0.000 1.181 483 A CA 2.055 54.311 52.037 0.366 0.000 0.627 483 A CB -0.840 18.313 19.000 0.256 0.000 0.818 483 A HN 0.480 nan 8.150 nan 0.000 0.445 484 A N -0.506 122.380 122.820 0.110 0.000 1.908 484 A HA 0.052 4.372 4.320 -0.001 0.000 0.218 484 A C 2.413 180.054 177.584 0.096 0.000 1.181 484 A CA 2.022 54.089 52.037 0.049 0.000 0.627 484 A CB -1.425 17.598 19.000 0.038 0.000 0.818 484 A HN 0.831 nan 8.150 nan 0.000 0.445 485 G N -1.157 107.731 108.800 0.146 0.000 2.448 485 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 485 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 485 G C 1.376 176.390 174.900 0.191 0.000 1.127 485 G CA 0.991 46.179 45.100 0.147 0.000 0.766 485 G HN 0.507 nan 8.290 nan 0.000 0.552 486 M N 0.293 120.067 119.600 0.290 0.000 2.431 486 M HA 0.268 4.748 4.480 -0.001 0.000 0.237 486 M C 1.597 178.135 176.300 0.397 0.000 1.130 486 M CA 0.508 56.031 55.300 0.370 0.000 1.002 486 M CB 0.720 33.630 32.600 0.515 0.000 1.524 486 M HN 0.286 nan 8.290 nan 0.000 0.482 487 G N 0.656 109.580 108.800 0.206 0.000 2.136 487 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.242 487 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.242 487 G C 0.128 174.915 174.900 -0.189 0.000 0.989 487 G CA -0.079 45.068 45.100 0.078 0.000 0.682 487 G HN 0.615 nan 8.290 nan 0.000 0.522 488 G N -1.252 107.133 108.800 -0.693 0.000 2.932 488 G HA2 0.604 4.563 3.960 -0.001 0.000 0.283 488 G HA3 0.604 4.563 3.960 -0.001 0.000 0.283 488 G C -1.409 173.015 174.900 -0.794 0.000 1.336 488 G CA -0.423 43.686 45.100 -1.651 0.000 1.056 488 G HN 0.083 nan 8.290 nan 0.000 0.522 489 D N -0.026 120.003 120.400 -0.617 0.000 2.349 489 D HA 0.510 5.150 4.640 -0.001 0.000 0.232 489 D C 0.189 176.399 176.300 -0.150 0.000 1.071 489 D CA 0.085 53.928 54.000 -0.260 0.000 0.832 489 D CB 1.477 42.179 40.800 -0.164 0.000 1.086 489 D HN 0.528 nan 8.370 nan 0.000 0.504 490 G N 0.268 109.033 108.800 -0.059 0.000 2.416 490 G HA2 0.555 4.514 3.960 -0.001 0.000 0.329 490 G HA3 0.555 4.514 3.960 -0.001 0.000 0.329 490 G C -1.100 173.813 174.900 0.021 0.000 1.173 490 G CA -0.650 44.465 45.100 0.026 0.000 0.929 490 G HN 0.336 nan 8.290 nan 0.000 0.475 491 V N 2.585 122.516 119.914 0.029 0.000 2.711 491 V HA 0.624 4.744 4.120 -0.001 0.000 0.304 491 V C -0.282 175.829 176.094 0.028 0.000 1.097 491 V CA -1.060 61.254 62.300 0.023 0.000 0.906 491 V CB 1.699 33.530 31.823 0.013 0.000 1.015 491 V HN 0.910 nan 8.190 nan 0.000 0.427 492 R N 4.991 125.508 120.500 0.029 0.000 2.410 492 R HA 0.787 5.126 4.340 -0.001 0.000 0.288 492 R C -1.053 175.257 176.300 0.017 0.000 1.051 492 R CA -0.182 55.935 56.100 0.029 0.000 1.021 492 R CB 1.676 31.995 30.300 0.033 0.000 1.032 492 R HN 0.772 nan 8.270 nan 0.000 0.481 493 V N 1.874 121.795 119.914 0.012 0.000 2.709 493 V HA 0.541 4.660 4.120 -0.001 0.000 0.308 493 V C 0.036 176.128 176.094 -0.004 0.000 1.062 493 V CA -0.852 61.449 62.300 0.002 0.000 0.901 493 V CB 2.094 33.916 31.823 -0.002 0.000 1.003 493 V HN 0.960 nan 8.190 nan 0.000 0.425 494 R N 1.572 122.069 120.500 -0.005 0.000 2.342 494 R HA 0.256 4.596 4.340 -0.001 0.000 0.204 494 R C 0.656 176.948 176.300 -0.013 0.000 0.882 494 R CA 0.713 56.808 56.100 -0.008 0.000 1.041 494 R CB 0.849 31.148 30.300 -0.002 0.000 1.188 494 R HN 0.894 nan 8.270 nan 0.000 0.598 495 T N -1.977 112.570 114.554 -0.011 0.000 2.918 495 T HA 0.337 4.687 4.350 -0.001 0.000 0.286 495 T C 0.842 175.533 174.700 -0.014 0.000 1.026 495 T CA -0.911 61.182 62.100 -0.012 0.000 1.031 495 T CB 2.519 71.383 68.868 -0.007 0.000 1.046 495 T HN -0.057 nan 8.240 nan 0.000 0.479 496 R N 1.138 121.629 120.500 -0.016 0.000 2.117 496 R HA -0.103 4.237 4.340 -0.001 0.000 0.243 496 R C 2.587 178.882 176.300 -0.009 0.000 1.143 496 R CA 1.469 57.560 56.100 -0.016 0.000 0.968 496 R CB -0.872 29.420 30.300 -0.015 0.000 0.863 496 R HN 0.829 nan 8.270 nan 0.000 0.444 497 A N 1.311 124.128 122.820 -0.006 0.000 1.930 497 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 497 A C 1.875 179.459 177.584 0.001 0.000 1.175 497 A CA 1.218 53.254 52.037 -0.002 0.000 0.627 497 A CB -0.204 18.795 19.000 -0.002 0.000 0.815 497 A HN 0.326 nan 8.150 nan 0.000 0.443 498 E N -0.723 119.476 120.200 -0.001 0.000 2.107 498 E HA -0.131 4.219 4.350 -0.001 0.000 0.191 498 E C 1.934 178.537 176.600 0.004 0.000 0.982 498 E CA 0.972 57.374 56.400 0.002 0.000 0.809 498 E CB -0.240 29.460 29.700 0.000 0.000 0.756 498 E HN 0.512 nan 8.360 nan 0.000 0.459 499 L N 2.023 123.245 121.223 -0.002 0.000 1.955 499 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 499 L C 2.225 179.104 176.870 0.014 0.000 1.072 499 L CA 1.959 56.797 54.840 -0.002 0.000 0.755 499 L CB -0.489 41.559 42.059 -0.019 0.000 0.888 499 L HN -0.103 nan 8.230 nan 0.000 0.432 500 K N -0.126 120.281 120.400 0.010 0.000 2.034 500 K HA -0.241 4.079 4.320 -0.001 0.000 0.214 500 K C 1.962 178.579 176.600 0.028 0.000 1.051 500 K CA 2.011 58.309 56.287 0.017 0.000 0.931 500 K CB -0.671 31.833 32.500 0.007 0.000 0.715 500 K HN 0.537 nan 8.250 nan 0.000 0.446 501 A N 0.744 123.577 122.820 0.021 0.000 1.902 501 A HA -0.093 4.227 4.320 -0.001 0.000 0.217 501 A C 2.399 180.004 177.584 0.036 0.000 1.181 501 A CA 2.306 54.358 52.037 0.025 0.000 0.623 501 A CB -0.724 18.286 19.000 0.016 0.000 0.818 501 A HN 0.479 nan 8.150 nan 0.000 0.443 502 A N -0.596 122.243 122.820 0.033 0.000 1.877 502 A HA -0.068 4.252 4.320 -0.001 0.000 0.216 502 A C 2.128 179.749 177.584 0.061 0.000 1.186 502 A CA 1.755 53.814 52.037 0.036 0.000 0.620 502 A CB -0.648 18.368 19.000 0.026 0.000 0.822 502 A HN 0.617 nan 8.150 nan 0.000 0.443 503 L N 0.125 121.399 121.223 0.084 0.000 2.083 503 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 503 L C 1.649 178.660 176.870 0.235 0.000 1.083 503 L CA 2.285 57.222 54.840 0.161 0.000 0.752 503 L CB -0.518 41.641 42.059 0.166 0.000 0.899 503 L HN 0.384 nan 8.230 nan 0.000 0.433 504 D N -0.826 119.660 120.400 0.144 0.000 2.149 504 D HA -0.190 4.449 4.640 -0.001 0.000 0.201 504 D C 2.047 178.426 176.300 0.131 0.000 0.972 504 D CA 0.947 55.027 54.000 0.133 0.000 0.835 504 D CB 0.159 40.996 40.800 0.062 0.000 0.966 504 D HN 0.219 nan 8.370 nan 0.000 0.476 505 K N 1.588 122.041 120.400 0.088 0.000 2.025 505 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 505 K C 1.945 178.578 176.600 0.055 0.000 1.049 505 K CA 1.405 57.726 56.287 0.058 0.000 0.933 505 K CB -0.489 32.030 32.500 0.032 0.000 0.714 505 K HN -0.026 nan 8.250 nan 0.000 0.438 506 A N 0.016 122.862 122.820 0.043 0.000 1.873 506 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 506 A C 2.175 179.717 177.584 -0.069 0.000 1.193 506 A CA 1.879 53.893 52.037 -0.037 0.000 0.629 506 A CB -1.091 17.855 19.000 -0.090 0.000 0.826 506 A HN 0.388 nan 8.150 nan 0.000 0.447 507 F N -0.139 119.817 119.950 0.011 0.000 2.216 507 F HA -0.037 4.490 4.527 -0.001 0.000 0.300 507 F C 2.605 178.409 175.800 0.007 0.000 1.085 507 F CA 1.072 59.078 58.000 0.010 0.000 1.326 507 F CB -0.147 38.857 39.000 0.007 0.000 1.027 507 F HN 0.258 nan 8.300 nan 0.000 0.497 508 A N -1.354 121.567 122.820 0.168 0.000 2.208 508 A HA 0.086 4.405 4.320 -0.001 0.000 0.209 508 A C 0.779 178.394 177.584 0.052 0.000 1.161 508 A CA 0.669 52.765 52.037 0.098 0.000 0.782 508 A CB -0.654 18.391 19.000 0.074 0.000 0.816 508 A HN 0.128 nan 8.150 nan 0.000 0.477 509 T N 1.469 116.040 114.554 0.028 0.000 2.821 509 T HA 0.479 4.828 4.350 -0.001 0.000 0.307 509 T C -0.154 174.538 174.700 -0.014 0.000 1.034 509 T CA -0.441 61.659 62.100 0.001 0.000 0.953 509 T CB 0.870 69.728 68.868 -0.016 0.000 0.968 509 T HN 0.334 nan 8.240 nan 0.000 0.462 510 R N 1.038 121.535 120.500 -0.004 0.000 2.787 510 R HA 0.724 5.064 4.340 -0.001 0.000 0.271 510 R C 0.984 177.279 176.300 -0.008 0.000 0.993 510 R CA -0.544 55.552 56.100 -0.007 0.000 0.993 510 R CB 1.697 32.000 30.300 0.006 0.000 1.155 510 R HN 0.843 nan 8.270 nan 0.000 0.486 511 G N 0.799 109.596 108.800 -0.005 0.000 2.380 511 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.197 511 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.197 511 G C -0.178 174.721 174.900 -0.003 0.000 1.001 511 G CA 0.074 45.173 45.100 -0.003 0.000 0.668 511 G HN 0.648 nan 8.290 nan 0.000 0.483 512 R N -0.504 119.987 120.500 -0.016 0.000 2.716 512 R HA 0.621 4.960 4.340 -0.001 0.000 0.271 512 R C -0.107 176.191 176.300 -0.002 0.000 1.028 512 R CA -0.685 55.402 56.100 -0.022 0.000 0.883 512 R CB 0.414 30.644 30.300 -0.117 0.000 1.250 512 R HN 0.795 nan 8.270 nan 0.000 0.465 513 F N 0.731 120.676 119.950 -0.009 0.000 2.518 513 F HA 0.307 4.833 4.527 -0.000 0.000 0.359 513 F C -0.489 175.301 175.800 -0.017 0.000 1.118 513 F CA -0.482 57.507 58.000 -0.019 0.000 1.287 513 F CB 0.660 39.658 39.000 -0.003 0.000 1.132 513 F HN 0.231 nan 8.300 nan 0.000 0.587 514 Q N 5.076 124.974 119.800 0.164 0.000 2.368 514 Q HA 0.370 4.710 4.340 -0.001 0.000 0.263 514 Q C -1.342 174.749 176.000 0.152 0.000 1.009 514 Q CA -0.772 55.062 55.803 0.053 0.000 0.818 514 Q CB 2.080 30.798 28.738 -0.034 0.000 1.239 514 Q HN 0.862 nan 8.270 nan 0.000 0.464 515 L N 4.450 125.783 121.223 0.183 0.000 2.262 515 L HA 0.368 4.708 4.340 -0.001 0.000 0.288 515 L C -0.967 175.945 176.870 0.070 0.000 1.035 515 L CA -0.279 54.662 54.840 0.168 0.000 0.820 515 L CB 0.573 42.784 42.059 0.253 0.000 1.204 515 L HN 0.411 nan 8.230 nan 0.000 0.424 516 I N 4.884 125.482 120.570 0.046 0.000 2.307 516 I HA 0.244 4.414 4.170 -0.001 0.000 0.287 516 I C 0.364 176.497 176.117 0.027 0.000 1.054 516 I CA -0.109 61.212 61.300 0.033 0.000 1.218 516 I CB 0.872 38.892 38.000 0.035 0.000 1.398 516 I HN 0.673 nan 8.210 nan 0.000 0.475 517 E N 5.690 125.905 120.200 0.024 0.000 1.996 517 E HA 0.461 4.810 4.350 -0.001 0.000 0.280 517 E C -0.466 176.150 176.600 0.026 0.000 1.092 517 E CA -0.502 55.915 56.400 0.028 0.000 0.862 517 E CB 0.787 30.523 29.700 0.060 0.000 1.066 517 E HN 0.682 nan 8.360 nan 0.000 0.396 518 A N 6.502 129.329 122.820 0.012 0.000 2.279 518 A HA 0.306 4.625 4.320 -0.001 0.000 0.306 518 A C -0.102 177.470 177.584 -0.021 0.000 1.300 518 A CA -0.682 51.334 52.037 -0.036 0.000 0.925 518 A CB 0.217 19.135 19.000 -0.137 0.000 1.152 518 A HN 0.627 nan 8.150 nan 0.000 0.544 519 M N 3.097 122.692 119.600 -0.007 0.000 2.227 519 M HA 0.307 4.787 4.480 -0.001 0.000 0.349 519 M C -0.340 175.951 176.300 -0.015 0.000 1.443 519 M CA 0.204 55.509 55.300 0.009 0.000 1.110 519 M CB -0.607 32.001 32.600 0.014 0.000 1.773 519 M HN 0.473 nan 8.290 nan 0.000 0.463 520 I N 5.570 126.140 120.570 0.000 0.000 2.498 520 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 520 I C -2.167 173.960 176.117 0.016 0.000 1.032 520 I CA -1.975 59.318 61.300 -0.011 0.000 1.073 520 I CB 2.587 40.575 38.000 -0.021 0.000 1.251 520 I HN 0.373 nan 8.210 nan 0.000 0.426 521 P HA 0.188 nan 4.420 nan 0.000 0.271 521 P C -0.663 176.653 177.300 0.026 0.000 1.218 521 P CA -0.309 62.800 63.100 0.016 0.000 0.780 521 P CB 0.496 32.201 31.700 0.007 0.000 0.901 522 R N 1.274 121.790 120.500 0.028 0.000 2.694 522 R HA 0.314 4.653 4.340 -0.001 0.000 0.268 522 R C 1.441 177.757 176.300 0.027 0.000 1.061 522 R CA 0.937 57.057 56.100 0.034 0.000 1.133 522 R CB -0.432 29.885 30.300 0.028 0.000 1.020 522 R HN 0.850 nan 8.270 nan 0.000 0.475 523 G N 0.446 109.264 108.800 0.031 0.000 2.212 523 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.266 523 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.266 523 G C 0.031 174.942 174.900 0.019 0.000 0.978 523 G CA 0.182 45.294 45.100 0.020 0.000 0.632 523 G HN 0.422 nan 8.290 nan 0.000 0.537 524 V N 2.717 122.645 119.914 0.024 0.000 2.348 524 V HA 0.653 4.773 4.120 -0.001 0.000 0.270 524 V C 0.723 176.839 176.094 0.037 0.000 1.037 524 V CA -0.236 62.076 62.300 0.021 0.000 0.872 524 V CB 0.897 32.726 31.823 0.011 0.000 1.002 524 V HN 0.407 nan 8.190 nan 0.000 0.464 525 L N 3.303 124.547 121.223 0.035 0.000 2.235 525 L HA 0.749 5.089 4.340 -0.001 0.000 0.260 525 L C 0.537 177.442 176.870 0.059 0.000 1.025 525 L CA -0.847 54.026 54.840 0.054 0.000 0.836 525 L CB 1.866 43.943 42.059 0.029 0.000 1.395 525 L HN 0.576 nan 8.230 nan 0.000 0.443 526 S N -1.798 113.955 115.700 0.089 0.000 2.632 526 S HA 0.162 4.632 4.470 -0.001 0.000 0.267 526 S C 0.313 174.953 174.600 0.067 0.000 1.276 526 S CA -0.644 57.618 58.200 0.104 0.000 0.998 526 S CB 1.152 64.456 63.200 0.173 0.000 0.953 526 S HN 0.607 nan 8.310 nan 0.000 0.547 527 D N 1.507 121.950 120.400 0.072 0.000 2.117 527 D HA -0.084 4.555 4.640 -0.001 0.000 0.197 527 D C 1.894 178.218 176.300 0.039 0.000 0.987 527 D CA 1.729 55.759 54.000 0.049 0.000 0.829 527 D CB -1.013 39.824 40.800 0.061 0.000 0.961 527 D HN 0.687 nan 8.370 nan 0.000 0.460 528 T N 2.081 116.684 114.554 0.082 0.000 2.684 528 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 528 T C 2.010 176.695 174.700 -0.024 0.000 1.036 528 T CA 0.755 62.913 62.100 0.098 0.000 1.148 528 T CB -0.489 68.523 68.868 0.241 0.000 0.863 528 T HN 0.030 nan 8.240 nan 0.000 0.436 529 L N 1.825 122.955 121.223 -0.155 0.000 1.990 529 L HA -0.080 4.260 4.340 -0.001 0.000 0.213 529 L C 2.635 179.322 176.870 -0.304 0.000 1.072 529 L CA 2.173 56.696 54.840 -0.529 0.000 0.755 529 L CB -1.367 40.455 42.059 -0.396 0.000 0.889 529 L HN 0.252 nan 8.230 nan 0.000 0.432 530 A N -0.134 122.587 122.820 -0.165 0.000 1.869 530 A HA -0.303 4.017 4.320 -0.001 0.000 0.218 530 A C 2.419 179.914 177.584 -0.148 0.000 1.203 530 A CA 2.479 54.433 52.037 -0.139 0.000 0.638 530 A CB -0.745 18.205 19.000 -0.083 0.000 0.831 530 A HN 0.576 nan 8.150 nan 0.000 0.450 531 R N -2.143 118.295 120.500 -0.104 0.000 2.096 531 R HA -0.109 4.231 4.340 -0.001 0.000 0.235 531 R C 2.075 178.296 176.300 -0.132 0.000 1.127 531 R CA 1.493 57.531 56.100 -0.104 0.000 0.968 531 R CB -0.562 29.701 30.300 -0.063 0.000 0.861 531 R HN 0.618 nan 8.270 nan 0.000 0.440 532 F N 1.433 121.220 119.950 -0.272 0.000 2.095 532 F HA -0.261 4.266 4.527 -0.001 0.000 0.298 532 F C 2.107 177.712 175.800 -0.325 0.000 1.104 532 F CA 1.485 59.305 58.000 -0.300 0.000 1.232 532 F CB -0.263 38.492 39.000 -0.408 0.000 0.987 532 F HN -0.276 nan 8.300 nan 0.000 0.475 533 V N 0.563 120.339 119.914 -0.229 0.000 2.287 533 V HA -0.363 3.756 4.120 -0.001 0.000 0.248 533 V C 2.453 178.212 176.094 -0.560 0.000 1.053 533 V CA 2.396 64.372 62.300 -0.541 0.000 1.027 533 V CB -0.937 30.445 31.823 -0.735 0.000 0.646 533 V HN 0.480 nan 8.190 nan 0.000 0.447 534 Q N -0.139 119.429 119.800 -0.387 0.000 2.170 534 Q HA -0.175 4.165 4.340 -0.001 0.000 0.203 534 Q C 2.235 178.081 176.000 -0.257 0.000 0.976 534 Q CA 1.792 57.425 55.803 -0.283 0.000 0.858 534 Q CB -0.386 28.233 28.738 -0.198 0.000 0.907 534 Q HN 0.707 nan 8.270 nan 0.000 0.433 535 G N 0.625 109.239 108.800 -0.309 0.000 2.421 535 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 535 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 535 G C 0.833 175.554 174.900 -0.299 0.000 1.171 535 G CA 0.171 45.092 45.100 -0.299 0.000 0.775 535 G HN 0.273 nan 8.290 nan 0.000 0.543 536 Q N 0.000 119.561 119.800 -0.398 0.000 2.315 536 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 536 Q CA 0.000 55.657 55.803 -0.244 0.000 1.022 536 Q CB 0.000 28.643 28.738 -0.158 0.000 1.108 536 Q HN 0.000 nan 8.270 nan 0.000 0.481