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 2q5q_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMKLAEALLR ALKDRGAQAM FGIPGDFALP FFKVAEETQI LPLHTLSHEP DATA SEQUENCE AVGFAADAAA RYSSTLGVAA VTYGAGAFNM VNAVAGAYAE KSPVVVISGA DATA SEQUENCE PGTTEGNAGL LLHHQGRTLD TQFQVFKEIT VAQARLDDPA KAPAEIARVL DATA SEQUENCE GAARAQSRPV YLEIPRNMVN AEVEPVGDDP AWPVDRDALA ACADEVLAAM DATA SEQUENCE RSATSPVLMV CVEVRRYGLE AKVAELAQRL GVPVVTTFMG RGLLADAPTP DATA SEQUENCE PLGTYIGVAG DAEITRLVEE SDGLFLLGAI LSDTNFAVSQ RKIDLRKTIH DATA SEQUENCE AFDRAVTLGY HTYADIPLAG LVDALLERLP PSXXXXXXXE 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 ARFVQGQKRL HA 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 0.000 175.326 175.328 -0.003 0.000 0.993 0 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 0 H CB 0.000 29.762 29.762 -0.001 0.000 1.292 1 M N -1.314 118.364 119.600 0.130 0.000 2.880 1 M HA 0.562 5.043 4.480 0.001 0.000 0.269 1 M C -1.653 174.681 176.300 0.057 0.000 1.248 1 M CA -1.191 54.148 55.300 0.066 0.000 0.821 1 M CB 2.295 34.912 32.600 0.029 0.000 1.650 1 M HN 0.305 nan 8.290 nan 0.000 0.479 2 K N 1.062 121.481 120.400 0.032 0.000 2.382 2 K HA 0.188 4.508 4.320 0.001 0.000 0.275 2 K C 0.715 177.337 176.600 0.035 0.000 1.009 2 K CA -0.198 56.107 56.287 0.029 0.000 0.970 2 K CB 1.216 33.723 32.500 0.012 0.000 0.934 2 K HN 0.659 nan 8.250 nan 0.000 0.479 3 L N 3.021 124.272 121.223 0.047 0.000 2.013 3 L HA -0.304 4.036 4.340 0.001 0.000 0.212 3 L C 2.161 179.077 176.870 0.077 0.000 1.073 3 L CA 2.033 56.906 54.840 0.056 0.000 0.753 3 L CB -0.305 41.788 42.059 0.056 0.000 0.890 3 L HN 0.902 nan 8.230 nan 0.000 0.432 4 A N -0.695 122.185 122.820 0.099 0.000 1.902 4 A HA -0.293 4.027 4.320 0.001 0.000 0.217 4 A C 2.249 179.849 177.584 0.026 0.000 1.181 4 A CA 1.919 54.042 52.037 0.145 0.000 0.623 4 A CB -0.694 18.353 19.000 0.078 0.000 0.818 4 A HN 0.653 nan 8.150 nan 0.000 0.443 5 E N -0.185 120.003 120.200 -0.020 0.000 2.072 5 E HA -0.098 4.252 4.350 0.001 0.000 0.191 5 E C 2.136 178.728 176.600 -0.014 0.000 0.985 5 E CA 0.918 57.292 56.400 -0.044 0.000 0.801 5 E CB -0.250 29.427 29.700 -0.039 0.000 0.750 5 E HN 0.528 nan 8.360 nan 0.000 0.452 6 A N 1.103 123.928 122.820 0.009 0.000 1.940 6 A HA -0.180 4.141 4.320 0.001 0.000 0.219 6 A C 2.119 179.714 177.584 0.018 0.000 1.176 6 A CA 1.337 53.381 52.037 0.011 0.000 0.631 6 A CB -0.583 18.428 19.000 0.017 0.000 0.814 6 A HN 0.392 nan 8.150 nan 0.000 0.446 7 L N -0.388 120.861 121.223 0.043 0.000 2.072 7 L HA -0.018 4.322 4.340 0.001 0.000 0.205 7 L C 2.207 179.103 176.870 0.043 0.000 1.079 7 L CA 1.544 56.417 54.840 0.055 0.000 0.752 7 L CB -0.460 41.661 42.059 0.104 0.000 0.906 7 L HN 0.381 nan 8.230 nan 0.000 0.436 8 L N -0.826 120.414 121.223 0.028 0.000 2.083 8 L HA -0.168 4.172 4.340 0.001 0.000 0.209 8 L C 2.742 179.598 176.870 -0.023 0.000 1.083 8 L CA 1.210 56.041 54.840 -0.014 0.000 0.752 8 L CB -0.521 41.488 42.059 -0.084 0.000 0.899 8 L HN 0.229 nan 8.230 nan 0.000 0.433 9 R N -0.128 120.360 120.500 -0.020 0.000 2.090 9 R HA -0.058 4.282 4.340 0.001 0.000 0.228 9 R C 2.451 178.746 176.300 -0.008 0.000 1.110 9 R CA 1.132 57.221 56.100 -0.019 0.000 0.973 9 R CB -0.396 29.893 30.300 -0.018 0.000 0.869 9 R HN 0.325 nan 8.270 nan 0.000 0.440 10 A N 1.122 123.942 122.820 0.000 0.000 1.972 10 A HA -0.110 4.210 4.320 0.001 0.000 0.219 10 A C 2.110 179.699 177.584 0.008 0.000 1.169 10 A CA 1.093 53.134 52.037 0.006 0.000 0.635 10 A CB -0.378 18.630 19.000 0.012 0.000 0.810 10 A HN 0.163 nan 8.150 nan 0.000 0.446 11 L N -0.906 120.321 121.223 0.006 0.000 2.044 11 L HA -0.127 4.213 4.340 0.001 0.000 0.205 11 L C 2.611 179.480 176.870 -0.000 0.000 1.075 11 L CA 1.766 56.610 54.840 0.006 0.000 0.747 11 L CB -0.354 41.710 42.059 0.008 0.000 0.903 11 L HN 0.422 nan 8.230 nan 0.000 0.435 12 K N 0.071 120.464 120.400 -0.011 0.000 2.097 12 K HA -0.205 4.115 4.320 0.001 0.000 0.206 12 K C 1.589 178.185 176.600 -0.005 0.000 1.049 12 K CA 1.617 57.896 56.287 -0.014 0.000 0.933 12 K CB 0.012 32.496 32.500 -0.026 0.000 0.717 12 K HN 0.222 nan 8.250 nan 0.000 0.442 13 D N 0.503 120.901 120.400 -0.003 0.000 2.221 13 D HA -0.132 4.509 4.640 0.001 0.000 0.204 13 D C 1.298 177.602 176.300 0.006 0.000 0.982 13 D CA 1.091 55.092 54.000 0.001 0.000 0.857 13 D CB 0.040 40.842 40.800 0.002 0.000 0.934 13 D HN 0.249 nan 8.370 nan 0.000 0.475 14 R N -0.830 119.675 120.500 0.008 0.000 2.334 14 R HA 0.271 4.611 4.340 0.001 0.000 0.220 14 R C 1.182 177.489 176.300 0.011 0.000 0.917 14 R CA 0.459 56.566 56.100 0.011 0.000 1.073 14 R CB 0.648 30.956 30.300 0.014 0.000 1.056 14 R HN 0.142 nan 8.270 nan 0.000 0.506 15 G N 0.296 109.103 108.800 0.010 0.000 2.176 15 G HA2 -0.296 3.665 3.960 0.001 0.000 0.232 15 G HA3 -0.296 3.665 3.960 0.001 0.000 0.232 15 G C 0.331 175.243 174.900 0.021 0.000 0.986 15 G CA -0.164 44.945 45.100 0.015 0.000 0.643 15 G HN 0.489 nan 8.290 nan 0.000 0.522 16 A N -0.087 122.743 122.820 0.016 0.000 2.561 16 A HA 0.526 4.847 4.320 0.001 0.000 0.234 16 A C 1.121 178.709 177.584 0.008 0.000 1.055 16 A CA 1.554 53.603 52.037 0.020 0.000 0.756 16 A CB 0.186 19.192 19.000 0.010 0.000 0.986 16 A HN 0.587 nan 8.150 nan 0.000 0.505 17 Q N 0.222 120.032 119.800 0.017 0.000 2.316 17 Q HA 0.445 4.786 4.340 0.001 0.000 0.235 17 Q C 0.238 176.201 176.000 -0.061 0.000 0.863 17 Q CA 0.688 56.490 55.803 -0.001 0.000 0.939 17 Q CB 0.684 29.447 28.738 0.042 0.000 1.108 17 Q HN 0.957 nan 8.270 nan 0.000 0.522 18 A N 0.878 123.637 122.820 -0.102 0.000 2.586 18 A HA 0.699 5.019 4.320 0.001 0.000 0.290 18 A C -1.913 175.481 177.584 -0.316 0.000 1.086 18 A CA -0.730 51.134 52.037 -0.289 0.000 0.665 18 A CB 1.235 19.997 19.000 -0.395 0.000 1.279 18 A HN 0.148 nan 8.150 nan 0.000 0.423 19 M N 1.184 120.499 119.600 -0.475 0.000 2.093 19 M HA 0.726 5.207 4.480 0.001 0.000 0.297 19 M C -2.157 173.906 176.300 -0.395 0.000 0.938 19 M CA -0.274 54.837 55.300 -0.315 0.000 0.920 19 M CB 0.491 32.937 32.600 -0.257 0.000 1.517 19 M HN 0.511 nan 8.290 nan 0.000 0.427 20 F N 2.935 122.903 119.950 0.029 0.000 2.399 20 F HA 0.925 5.453 4.527 0.001 0.000 0.334 20 F C 0.893 176.754 175.800 0.101 0.000 1.097 20 F CA -0.030 58.022 58.000 0.087 0.000 1.076 20 F CB 2.008 41.059 39.000 0.085 0.000 1.162 20 F HN 0.721 nan 8.300 nan 0.000 0.495 21 G N 1.920 110.930 108.800 0.349 0.000 2.466 21 G HA2 0.591 4.551 3.960 0.001 0.000 0.291 21 G HA3 0.591 4.551 3.960 0.001 0.000 0.291 21 G C -2.124 173.047 174.900 0.452 0.000 1.460 21 G CA -0.765 44.589 45.100 0.423 0.000 0.791 21 G HN 0.525 nan 8.290 nan 0.000 0.505 22 I N 2.149 122.952 120.570 0.389 0.000 2.512 22 I HA 0.380 4.550 4.170 0.001 0.000 0.287 22 I C -2.204 173.802 176.117 -0.185 0.000 1.069 22 I CA -2.005 59.372 61.300 0.129 0.000 1.056 22 I CB 3.272 41.336 38.000 0.108 0.000 1.229 22 I HN 0.307 nan 8.210 nan 0.000 0.429 23 P HA 0.488 nan 4.420 nan 0.000 0.282 23 P C -0.484 176.618 177.300 -0.330 0.000 1.287 23 P CA -0.186 62.325 63.100 -0.981 0.000 0.792 23 P CB 1.715 32.761 31.700 -1.090 0.000 1.163 24 G N -0.662 108.011 108.800 -0.212 0.000 2.601 24 G HA2 0.333 4.293 3.960 0.001 0.000 0.291 24 G HA3 0.333 4.293 3.960 0.001 0.000 0.291 24 G C 0.151 175.066 174.900 0.025 0.000 1.456 24 G CA -0.311 44.793 45.100 0.006 0.000 0.804 24 G HN 0.434 nan 8.290 nan 0.000 0.499 25 D N 0.033 120.447 120.400 0.023 0.000 2.133 25 D HA -0.228 4.412 4.640 0.001 0.000 0.192 25 D C 1.602 177.858 176.300 -0.073 0.000 1.001 25 D CA 1.691 55.643 54.000 -0.079 0.000 0.844 25 D CB -0.326 40.360 40.800 -0.190 0.000 0.944 25 D HN 0.250 nan 8.370 nan 0.000 0.447 26 F N 0.664 120.689 119.950 0.124 0.000 2.365 26 F HA 0.215 4.742 4.527 0.000 0.000 0.300 26 F C 2.578 178.426 175.800 0.080 0.000 1.090 26 F CA 0.934 58.976 58.000 0.071 0.000 1.408 26 F CB -0.320 38.706 39.000 0.043 0.000 1.060 26 F HN 0.159 nan 8.300 nan 0.000 0.534 27 A N -0.901 122.070 122.820 0.252 0.000 2.348 27 A HA 0.235 4.555 4.320 0.001 0.000 0.224 27 A C 1.985 179.746 177.584 0.296 0.000 1.227 27 A CA -0.079 52.126 52.037 0.280 0.000 0.885 27 A CB -0.581 18.573 19.000 0.256 0.000 0.933 27 A HN 0.315 nan 8.150 nan 0.000 0.506 28 L N -0.083 121.225 121.223 0.142 0.000 2.012 28 L HA -0.142 4.199 4.340 0.001 0.000 0.210 28 L C -0.500 176.485 176.870 0.191 0.000 1.073 28 L CA 1.695 56.608 54.840 0.121 0.000 0.748 28 L CB -1.410 40.674 42.059 0.042 0.000 0.891 28 L HN 0.220 nan 8.230 nan 0.000 0.431 29 P HA -0.219 nan 4.420 nan 0.000 0.215 29 P C 1.542 178.951 177.300 0.182 0.000 1.153 29 P CA 1.405 64.594 63.100 0.149 0.000 0.853 29 P CB -0.042 31.739 31.700 0.134 0.000 0.788 30 F N -1.095 118.940 119.950 0.143 0.000 2.146 30 F HA -0.124 4.404 4.527 0.001 0.000 0.298 30 F C 1.922 177.787 175.800 0.108 0.000 1.096 30 F CA 1.348 59.414 58.000 0.110 0.000 1.275 30 F CB -0.757 38.317 39.000 0.122 0.000 1.008 30 F HN -0.232 nan 8.300 nan 0.000 0.480 31 F N 1.018 121.006 119.950 0.064 0.000 2.269 31 F HA -0.118 4.409 4.527 0.001 0.000 0.301 31 F C 2.476 178.211 175.800 -0.110 0.000 1.082 31 F CA 1.604 59.584 58.000 -0.033 0.000 1.360 31 F CB -0.761 38.279 39.000 0.066 0.000 1.041 31 F HN -0.047 nan 8.300 nan 0.000 0.512 32 K N 0.221 120.676 120.400 0.093 0.000 2.057 32 K HA -0.119 4.201 4.320 0.001 0.000 0.206 32 K C 2.025 178.576 176.600 -0.083 0.000 1.050 32 K CA 1.364 57.661 56.287 0.015 0.000 0.935 32 K CB -0.237 32.282 32.500 0.032 0.000 0.715 32 K HN 0.091 nan 8.250 nan 0.000 0.439 33 V N 1.425 121.245 119.914 -0.156 0.000 2.343 33 V HA -0.239 3.881 4.120 0.001 0.000 0.247 33 V C 2.460 178.385 176.094 -0.283 0.000 1.051 33 V CA 1.961 64.135 62.300 -0.210 0.000 1.036 33 V CB -0.698 30.974 31.823 -0.252 0.000 0.654 33 V HN 0.498 nan 8.190 nan 0.000 0.451 34 A N -0.373 122.182 122.820 -0.441 0.000 1.883 34 A HA -0.299 4.021 4.320 0.001 0.000 0.217 34 A C 2.296 179.724 177.584 -0.259 0.000 1.186 34 A CA 2.164 53.943 52.037 -0.429 0.000 0.624 34 A CB -0.530 18.108 19.000 -0.603 0.000 0.822 34 A HN 0.632 nan 8.150 nan 0.000 0.444 35 E N -0.354 119.734 120.200 -0.187 0.000 2.106 35 E HA -0.192 4.158 4.350 0.001 0.000 0.192 35 E C 1.901 178.445 176.600 -0.094 0.000 0.984 35 E CA 1.275 57.609 56.400 -0.111 0.000 0.806 35 E CB -0.089 29.586 29.700 -0.042 0.000 0.750 35 E HN 0.759 nan 8.360 nan 0.000 0.458 36 E N -0.527 119.618 120.200 -0.092 0.000 2.112 36 E HA -0.102 4.248 4.350 0.001 0.000 0.190 36 E C 2.156 178.709 176.600 -0.079 0.000 0.979 36 E CA 1.503 57.860 56.400 -0.072 0.000 0.814 36 E CB 0.098 29.764 29.700 -0.058 0.000 0.762 36 E HN 0.384 nan 8.360 nan 0.000 0.460 37 T N -1.898 112.594 114.554 -0.104 0.000 3.014 37 T HA -0.081 4.269 4.350 0.001 0.000 0.263 37 T C 1.026 175.668 174.700 -0.096 0.000 1.078 37 T CA 0.384 62.427 62.100 -0.095 0.000 1.135 37 T CB 0.021 68.824 68.868 -0.108 0.000 0.895 37 T HN 0.090 nan 8.240 nan 0.000 0.480 38 Q N -0.178 119.551 119.800 -0.118 0.000 2.468 38 Q HA -0.190 4.151 4.340 0.001 0.000 0.256 38 Q C 1.036 176.967 176.000 -0.116 0.000 0.984 38 Q CA 0.711 56.443 55.803 -0.117 0.000 1.110 38 Q CB -2.057 26.628 28.738 -0.087 0.000 1.527 38 Q HN 0.642 nan 8.270 nan 0.000 0.535 39 I N -0.193 120.304 120.570 -0.122 0.000 2.163 39 I HA -0.208 3.962 4.170 0.001 0.000 0.243 39 I C 1.052 177.100 176.117 -0.115 0.000 1.085 39 I CA 1.444 62.681 61.300 -0.104 0.000 1.347 39 I CB -0.002 37.937 38.000 -0.102 0.000 1.044 39 I HN 0.154 nan 8.210 nan 0.000 0.408 40 L N 0.363 121.493 121.223 -0.156 0.000 2.385 40 L HA 0.416 4.756 4.340 0.001 0.000 0.273 40 L C -2.462 174.254 176.870 -0.256 0.000 0.990 40 L CA -2.049 52.681 54.840 -0.182 0.000 0.821 40 L CB 1.657 43.608 42.059 -0.180 0.000 1.279 40 L HN -0.261 nan 8.230 nan 0.000 0.412 41 P HA -0.007 nan 4.420 nan 0.000 0.264 41 P C -0.914 176.006 177.300 -0.633 0.000 1.183 41 P CA -0.184 62.659 63.100 -0.429 0.000 0.763 41 P CB 0.499 31.930 31.700 -0.449 0.000 0.807 42 L N 5.551 126.457 121.223 -0.529 0.000 2.277 42 L HA 0.317 4.657 4.340 0.001 0.000 0.284 42 L C -0.749 175.906 176.870 -0.360 0.000 1.028 42 L CA -0.169 54.414 54.840 -0.428 0.000 0.835 42 L CB -0.305 41.606 42.059 -0.247 0.000 1.215 42 L HN 0.367 nan 8.230 nan 0.000 0.425 43 H N 3.011 121.964 119.070 -0.195 0.000 2.504 43 H HA 0.482 5.038 4.556 0.001 0.000 0.322 43 H C -0.066 175.316 175.328 0.089 0.000 1.055 43 H CA -0.418 55.582 56.048 -0.079 0.000 1.231 43 H CB 1.233 30.885 29.762 -0.183 0.000 1.417 43 H HN 0.643 nan 8.280 nan 0.000 0.472 44 T N 1.631 116.339 114.554 0.256 0.000 2.928 44 T HA 0.725 5.076 4.350 0.001 0.000 0.284 44 T C 0.409 175.246 174.700 0.228 0.000 1.008 44 T CA -0.760 61.491 62.100 0.252 0.000 1.057 44 T CB 1.366 70.359 68.868 0.208 0.000 1.018 44 T HN 0.326 nan 8.240 nan 0.000 0.493 45 L N 0.589 121.938 121.223 0.210 0.000 2.171 45 L HA 0.489 4.830 4.340 0.001 0.000 0.253 45 L C 1.369 178.325 176.870 0.145 0.000 1.054 45 L CA -1.120 53.818 54.840 0.164 0.000 0.927 45 L CB 1.627 43.777 42.059 0.152 0.000 1.513 45 L HN 0.725 nan 8.230 nan 0.000 0.471 46 S N -2.557 113.225 115.700 0.137 0.000 2.421 46 S HA 0.055 4.526 4.470 0.001 0.000 0.224 46 S C 0.112 174.824 174.600 0.187 0.000 1.035 46 S CA 0.516 58.798 58.200 0.137 0.000 0.953 46 S CB 0.032 63.307 63.200 0.125 0.000 0.810 46 S HN 0.487 nan 8.310 nan 0.000 0.497 47 H N -0.258 118.855 119.070 0.073 0.000 2.806 47 H HA 0.252 4.808 4.556 0.001 0.000 0.367 47 H C -0.097 175.259 175.328 0.046 0.000 1.136 47 H CA -0.525 55.561 56.048 0.063 0.000 1.178 47 H CB 1.496 31.304 29.762 0.077 0.000 1.718 47 H HN -0.083 nan 8.280 nan 0.000 0.540 48 E N 2.823 123.019 120.200 -0.007 0.000 2.171 48 E HA -0.128 4.222 4.350 0.001 0.000 0.197 48 E C -1.337 175.147 176.600 -0.195 0.000 0.997 48 E CA 1.387 57.738 56.400 -0.081 0.000 0.810 48 E CB -0.709 28.951 29.700 -0.067 0.000 0.738 48 E HN 0.553 nan 8.360 nan 0.000 0.467 49 P HA -0.195 nan 4.420 nan 0.000 0.216 49 P C 0.953 178.027 177.300 -0.377 0.000 1.150 49 P CA 1.963 64.816 63.100 -0.412 0.000 0.837 49 P CB 0.010 31.542 31.700 -0.279 0.000 0.786 50 A N -0.881 121.893 122.820 -0.076 0.000 1.969 50 A HA -0.123 4.197 4.320 0.001 0.000 0.218 50 A C 2.282 179.825 177.584 -0.068 0.000 1.169 50 A CA 1.399 53.451 52.037 0.025 0.000 0.635 50 A CB -1.613 17.416 19.000 0.048 0.000 0.810 50 A HN 0.017 nan 8.150 nan 0.000 0.445 51 V N -0.150 119.732 119.914 -0.053 0.000 2.295 51 V HA -0.192 3.929 4.120 0.001 0.000 0.246 51 V C 2.796 178.842 176.094 -0.080 0.000 1.049 51 V CA 2.071 64.370 62.300 -0.002 0.000 1.024 51 V CB -1.310 30.562 31.823 0.081 0.000 0.648 51 V HN 0.597 nan 8.190 nan 0.000 0.447 52 G N -0.911 107.793 108.800 -0.160 0.000 2.402 52 G HA2 -0.197 3.763 3.960 0.001 0.000 0.216 52 G HA3 -0.197 3.763 3.960 0.001 0.000 0.216 52 G C 1.412 176.221 174.900 -0.152 0.000 1.162 52 G CA 0.632 45.625 45.100 -0.177 0.000 0.777 52 G HN 0.418 nan 8.290 nan 0.000 0.539 53 F N 1.886 121.750 119.950 -0.144 0.000 2.134 53 F HA 0.080 4.608 4.527 0.001 0.000 0.299 53 F C 2.995 178.550 175.800 -0.409 0.000 1.097 53 F CA 0.424 58.275 58.000 -0.250 0.000 1.264 53 F CB -0.823 37.988 39.000 -0.314 0.000 1.001 53 F HN 0.252 nan 8.300 nan 0.000 0.479 54 A N -0.062 122.577 122.820 -0.302 0.000 1.898 54 A HA -0.002 4.318 4.320 0.001 0.000 0.216 54 A C 2.450 179.581 177.584 -0.755 0.000 1.181 54 A CA 1.723 53.336 52.037 -0.706 0.000 0.620 54 A CB -1.274 17.066 19.000 -1.102 0.000 0.819 54 A HN 0.281 nan 8.150 nan 0.000 0.442 55 A N -0.156 122.387 122.820 -0.461 0.000 1.933 55 A HA -0.189 4.132 4.320 0.001 0.000 0.218 55 A C 1.910 179.494 177.584 0.000 0.000 1.175 55 A CA 2.049 54.054 52.037 -0.053 0.000 0.628 55 A CB -0.560 18.509 19.000 0.114 0.000 0.814 55 A HN 0.522 nan 8.150 nan 0.000 0.444 56 D N 0.204 120.599 120.400 -0.009 0.000 2.097 56 D HA -0.075 4.565 4.640 0.001 0.000 0.195 56 D C 2.113 178.454 176.300 0.068 0.000 0.989 56 D CA 1.726 55.774 54.000 0.080 0.000 0.827 56 D CB -0.333 40.587 40.800 0.199 0.000 0.966 56 D HN 0.303 nan 8.370 nan 0.000 0.456 57 A N 0.749 123.543 122.820 -0.043 0.000 1.908 57 A HA -0.013 4.307 4.320 0.001 0.000 0.218 57 A C 2.421 180.033 177.584 0.047 0.000 1.181 57 A CA 2.534 54.549 52.037 -0.037 0.000 0.627 57 A CB -0.959 17.904 19.000 -0.228 0.000 0.818 57 A HN 0.334 nan 8.150 nan 0.000 0.445 58 A N -0.307 122.530 122.820 0.028 0.000 1.933 58 A HA 0.196 4.516 4.320 0.001 0.000 0.218 58 A C 2.458 180.142 177.584 0.166 0.000 1.175 58 A CA 1.935 54.057 52.037 0.142 0.000 0.628 58 A CB -0.865 18.307 19.000 0.287 0.000 0.814 58 A HN 1.019 nan 8.150 nan 0.000 0.444 59 A N -0.076 122.818 122.820 0.122 0.000 1.898 59 A HA -0.124 4.196 4.320 0.001 0.000 0.216 59 A C 2.240 179.871 177.584 0.078 0.000 1.181 59 A CA 1.371 53.462 52.037 0.090 0.000 0.620 59 A CB -0.408 18.628 19.000 0.061 0.000 0.819 59 A HN 0.547 nan 8.150 nan 0.000 0.442 60 R N -2.330 118.228 120.500 0.097 0.000 2.092 60 R HA -0.103 4.238 4.340 0.001 0.000 0.231 60 R C 2.106 178.457 176.300 0.086 0.000 1.119 60 R CA 1.488 57.635 56.100 0.078 0.000 0.970 60 R CB -0.474 29.892 30.300 0.110 0.000 0.864 60 R HN 0.676 nan 8.270 nan 0.000 0.440 61 Y N 0.919 121.230 120.300 0.019 0.000 2.224 61 Y HA -0.146 4.404 4.550 0.001 0.000 0.289 61 Y C 1.568 177.477 175.900 0.014 0.000 1.146 61 Y CA 1.554 59.664 58.100 0.016 0.000 1.182 61 Y CB 0.352 38.826 38.460 0.023 0.000 0.983 61 Y HN -0.111 nan 8.280 nan 0.000 0.524 62 S N -0.981 114.819 115.700 0.167 0.000 2.593 62 S HA 0.111 4.582 4.470 0.001 0.000 0.236 62 S C 0.444 175.058 174.600 0.023 0.000 0.991 62 S CA 0.446 58.699 58.200 0.088 0.000 0.963 62 S CB 0.182 63.477 63.200 0.158 0.000 0.865 62 S HN 0.335 nan 8.310 nan 0.000 0.488 63 S N 1.645 117.343 115.700 -0.002 0.000 3.549 63 S HA -0.148 4.322 4.470 0.001 0.000 0.366 63 S C 0.148 174.732 174.600 -0.026 0.000 1.012 63 S CA 1.179 59.356 58.200 -0.038 0.000 1.141 63 S CB -1.535 61.635 63.200 -0.051 0.000 0.910 63 S HN 0.722 nan 8.310 nan 0.000 0.471 64 T N -0.649 113.905 114.554 0.001 0.000 2.669 64 T HA 0.683 5.033 4.350 0.001 0.000 0.283 64 T C -0.546 174.162 174.700 0.013 0.000 1.019 64 T CA -0.923 61.181 62.100 0.007 0.000 1.039 64 T CB 0.701 69.586 68.868 0.029 0.000 1.374 64 T HN 0.224 nan 8.240 nan 0.000 0.523 65 L N 1.670 122.905 121.223 0.020 0.000 2.426 65 L HA 0.543 4.884 4.340 0.001 0.000 0.271 65 L C 1.127 178.032 176.870 0.059 0.000 1.169 65 L CA -0.518 54.339 54.840 0.029 0.000 0.836 65 L CB 0.444 42.517 42.059 0.024 0.000 1.112 65 L HN 0.758 nan 8.230 nan 0.000 0.465 66 G N 2.037 110.880 108.800 0.072 0.000 2.410 66 G HA2 0.596 4.557 3.960 0.001 0.000 0.330 66 G HA3 0.596 4.557 3.960 0.001 0.000 0.330 66 G C -1.072 173.896 174.900 0.114 0.000 1.142 66 G CA -0.367 44.805 45.100 0.119 0.000 0.902 66 G HN 0.333 nan 8.290 nan 0.000 0.491 67 V N 0.508 120.520 119.914 0.163 0.000 2.525 67 V HA 0.695 4.816 4.120 0.001 0.000 0.299 67 V C 0.009 176.208 176.094 0.175 0.000 1.034 67 V CA -0.809 61.562 62.300 0.118 0.000 0.863 67 V CB 1.345 33.204 31.823 0.059 0.000 0.999 67 V HN 1.133 nan 8.190 nan 0.000 0.423 68 A N 3.933 126.825 122.820 0.121 0.000 2.310 68 A HA 0.916 5.236 4.320 0.001 0.000 0.304 68 A C -0.058 177.577 177.584 0.086 0.000 1.231 68 A CA -0.288 51.830 52.037 0.135 0.000 0.799 68 A CB 1.162 20.220 19.000 0.097 0.000 1.162 68 A HN 1.297 nan 8.150 nan 0.000 0.486 69 A N 2.386 125.284 122.820 0.130 0.000 2.288 69 A HA 0.789 5.109 4.320 0.001 0.000 0.320 69 A C 0.026 177.799 177.584 0.315 0.000 1.217 69 A CA -0.105 52.019 52.037 0.145 0.000 0.840 69 A CB 0.659 19.703 19.000 0.073 0.000 1.179 69 A HN 2.119 nan 8.150 nan 0.000 0.504 70 V N -0.562 119.480 119.914 0.214 0.000 3.182 70 V HA 0.852 4.972 4.120 0.001 0.000 0.308 70 V C -0.055 176.121 176.094 0.136 0.000 1.240 70 V CA -0.461 61.946 62.300 0.178 0.000 1.063 70 V CB 1.175 33.039 31.823 0.068 0.000 1.076 70 V HN 0.864 nan 8.190 nan 0.000 0.446 71 T N -0.075 114.532 114.554 0.088 0.000 2.927 71 T HA 0.500 4.851 4.350 0.001 0.000 0.281 71 T C -0.762 174.009 174.700 0.118 0.000 0.998 71 T CA -0.179 62.005 62.100 0.139 0.000 1.019 71 T CB 0.656 69.624 68.868 0.166 0.000 1.061 71 T HN 0.831 nan 8.240 nan 0.000 0.518 72 Y N 2.276 122.606 120.300 0.050 0.000 2.811 72 Y HA 0.289 4.839 4.550 0.001 0.000 0.334 72 Y C 1.403 177.218 175.900 -0.142 0.000 1.247 72 Y CA 1.562 59.609 58.100 -0.088 0.000 1.526 72 Y CB -0.356 37.974 38.460 -0.216 0.000 1.284 72 Y HN 1.010 nan 8.280 nan 0.000 0.586 73 G N 4.026 112.405 108.800 -0.701 0.000 4.230 73 G HA2 -0.452 3.509 3.960 0.001 0.000 0.340 73 G HA3 -0.452 3.509 3.960 0.001 0.000 0.340 73 G C 1.385 176.125 174.900 -0.266 0.000 1.315 73 G CA 1.229 45.971 45.100 -0.597 0.000 1.033 73 G HN 1.547 nan 8.290 nan 0.000 0.741 74 A N 0.515 123.110 122.820 -0.375 0.000 2.032 74 A HA 0.252 4.572 4.320 0.001 0.000 0.221 74 A C 2.775 180.288 177.584 -0.118 0.000 1.165 74 A CA 2.723 54.616 52.037 -0.239 0.000 0.645 74 A CB -0.989 17.739 19.000 -0.453 0.000 0.807 74 A HN 1.921 nan 8.150 nan 0.000 0.453 75 G N -1.106 107.603 108.800 -0.151 0.000 2.508 75 G HA2 0.194 4.154 3.960 0.001 0.000 0.212 75 G HA3 0.194 4.154 3.960 0.001 0.000 0.212 75 G C 1.788 176.665 174.900 -0.039 0.000 1.206 75 G CA 1.017 46.086 45.100 -0.052 0.000 0.822 75 G HN 0.724 nan 8.290 nan 0.000 0.550 76 A N 0.626 123.379 122.820 -0.112 0.000 1.883 76 A HA 0.050 4.371 4.320 0.001 0.000 0.217 76 A C 2.153 179.809 177.584 0.120 0.000 1.186 76 A CA 1.603 53.588 52.037 -0.087 0.000 0.624 76 A CB -0.689 18.105 19.000 -0.343 0.000 0.822 76 A HN 0.264 nan 8.150 nan 0.000 0.444 77 F N 0.124 120.121 119.950 0.078 0.000 2.333 77 F HA -0.074 4.453 4.527 0.001 0.000 0.300 77 F C 1.974 177.756 175.800 -0.030 0.000 1.083 77 F CA 1.206 59.219 58.000 0.021 0.000 1.395 77 F CB -0.736 38.239 39.000 -0.041 0.000 1.056 77 F HN 0.259 nan 8.300 nan 0.000 0.529 78 N N -0.402 118.377 118.700 0.132 0.000 2.521 78 N HA -0.048 4.693 4.740 0.001 0.000 0.188 78 N C 1.282 176.754 175.510 -0.063 0.000 1.146 78 N CA 0.476 53.533 53.050 0.011 0.000 0.893 78 N CB -0.191 38.286 38.487 -0.017 0.000 0.975 78 N HN 0.267 nan 8.380 nan 0.000 0.451 79 M N -1.003 118.600 119.600 0.005 0.000 2.347 79 M HA 0.163 4.644 4.480 0.001 0.000 0.302 79 M C 0.719 176.988 176.300 -0.052 0.000 1.051 79 M CA -0.021 55.251 55.300 -0.047 0.000 0.988 79 M CB 0.630 33.245 32.600 0.025 0.000 1.475 79 M HN -0.145 nan 8.290 nan 0.000 0.530 80 V N 1.120 120.994 119.914 -0.066 0.000 2.332 80 V HA -0.286 3.834 4.120 0.001 0.000 0.248 80 V C 1.968 177.941 176.094 -0.201 0.000 1.055 80 V CA 2.243 64.408 62.300 -0.225 0.000 1.038 80 V CB -0.807 30.884 31.823 -0.221 0.000 0.651 80 V HN 0.606 nan 8.190 nan 0.000 0.450 81 N N 0.553 119.169 118.700 -0.140 0.000 2.106 81 N HA -0.112 4.628 4.740 0.001 0.000 0.188 81 N C 1.753 177.165 175.510 -0.163 0.000 1.029 81 N CA 1.723 54.725 53.050 -0.079 0.000 0.848 81 N CB -0.346 38.149 38.487 0.013 0.000 1.007 81 N HN 0.389 nan 8.380 nan 0.000 0.423 82 A N -0.066 122.568 122.820 -0.311 0.000 1.902 82 A HA -0.053 4.267 4.320 0.001 0.000 0.217 82 A C 2.386 179.843 177.584 -0.210 0.000 1.181 82 A CA 1.609 53.377 52.037 -0.448 0.000 0.623 82 A CB -0.823 17.633 19.000 -0.907 0.000 0.818 82 A HN 0.184 nan 8.150 nan 0.000 0.443 83 V N -0.242 119.569 119.914 -0.171 0.000 2.453 83 V HA -0.185 3.936 4.120 0.001 0.000 0.247 83 V C 3.017 179.030 176.094 -0.135 0.000 1.048 83 V CA 1.676 63.927 62.300 -0.081 0.000 1.049 83 V CB -1.167 30.663 31.823 0.011 0.000 0.672 83 V HN 0.601 nan 8.190 nan 0.000 0.457 84 A N 0.722 123.384 122.820 -0.264 0.000 1.940 84 A HA -0.111 4.210 4.320 0.001 0.000 0.219 84 A C 2.404 179.642 177.584 -0.576 0.000 1.176 84 A CA 1.987 53.817 52.037 -0.345 0.000 0.631 84 A CB -1.140 17.659 19.000 -0.335 0.000 0.814 84 A HN 0.524 nan 8.150 nan 0.000 0.446 85 G N -0.675 107.600 108.800 -0.874 0.000 2.402 85 G HA2 0.047 4.007 3.960 0.001 0.000 0.216 85 G HA3 0.047 4.007 3.960 0.001 0.000 0.216 85 G C 1.714 176.481 174.900 -0.221 0.000 1.162 85 G CA 1.287 45.852 45.100 -0.891 0.000 0.777 85 G HN 0.788 nan 8.290 nan 0.000 0.539 86 A N -0.199 122.580 122.820 -0.068 0.000 1.969 86 A HA 0.004 4.324 4.320 0.001 0.000 0.218 86 A C 2.151 179.765 177.584 0.051 0.000 1.169 86 A CA 1.563 53.624 52.037 0.040 0.000 0.635 86 A CB -0.592 18.447 19.000 0.065 0.000 0.810 86 A HN 0.485 nan 8.150 nan 0.000 0.445 87 Y N 0.441 120.702 120.300 -0.065 0.000 2.163 87 Y HA -0.071 4.479 4.550 0.001 0.000 0.288 87 Y C 2.663 178.596 175.900 0.055 0.000 1.136 87 Y CA 1.462 59.554 58.100 -0.012 0.000 1.147 87 Y CB -0.352 38.085 38.460 -0.038 0.000 0.987 87 Y HN 0.312 nan 8.280 nan 0.000 0.509 88 A N 0.215 123.201 122.820 0.277 0.000 1.902 88 A HA -0.203 4.118 4.320 0.001 0.000 0.217 88 A C 1.791 179.614 177.584 0.398 0.000 1.181 88 A CA 1.975 54.229 52.037 0.361 0.000 0.623 88 A CB -0.590 18.472 19.000 0.104 0.000 0.818 88 A HN 0.646 nan 8.150 nan 0.000 0.443 89 E N -0.342 119.987 120.200 0.216 0.000 2.419 89 E HA 0.111 4.462 4.350 0.001 0.000 0.190 89 E C -0.685 175.971 176.600 0.093 0.000 1.040 89 E CA -0.305 56.211 56.400 0.192 0.000 0.900 89 E CB 0.029 29.795 29.700 0.111 0.000 1.054 89 E HN 0.426 nan 8.360 nan 0.000 0.462 90 K N 0.769 121.189 120.400 0.033 0.000 3.257 90 K HA -0.166 4.154 4.320 0.001 0.000 0.270 90 K C -0.478 176.072 176.600 -0.084 0.000 0.984 90 K CA 0.345 56.591 56.287 -0.069 0.000 0.739 90 K CB -1.725 30.744 32.500 -0.052 0.000 1.351 90 K HN 0.042 nan 8.250 nan 0.000 0.463 91 S N 1.346 117.020 115.700 -0.043 0.000 2.456 91 S HA 0.372 4.842 4.470 0.001 0.000 0.316 91 S C -2.275 172.309 174.600 -0.026 0.000 1.089 91 S CA -1.629 56.556 58.200 -0.024 0.000 1.101 91 S CB 1.114 64.341 63.200 0.044 0.000 0.995 91 S HN 0.088 nan 8.310 nan 0.000 0.468 92 P HA 0.118 nan 4.420 nan 0.000 0.241 92 P C -0.593 176.718 177.300 0.019 0.000 1.760 92 P CA -0.149 62.937 63.100 -0.024 0.000 1.081 92 P CB -0.083 31.587 31.700 -0.051 0.000 1.975 93 V N 4.085 124.024 119.914 0.042 0.000 2.455 93 V HA 0.057 4.177 4.120 0.001 0.000 0.273 93 V C 0.830 176.963 176.094 0.065 0.000 1.045 93 V CA -0.344 61.993 62.300 0.062 0.000 0.976 93 V CB 1.579 33.444 31.823 0.071 0.000 0.993 93 V HN 0.152 nan 8.190 nan 0.000 0.475 94 V N 6.825 126.771 119.914 0.054 0.000 2.368 94 V HA 0.215 4.335 4.120 0.001 0.000 0.266 94 V C 0.186 176.292 176.094 0.020 0.000 1.045 94 V CA -0.371 61.949 62.300 0.033 0.000 0.899 94 V CB 1.358 33.191 31.823 0.016 0.000 1.006 94 V HN 0.604 nan 8.190 nan 0.000 0.470 95 V N 7.415 127.341 119.914 0.020 0.000 2.406 95 V HA 0.394 4.515 4.120 0.001 0.000 0.272 95 V C 0.094 176.091 176.094 -0.162 0.000 1.043 95 V CA -0.125 62.166 62.300 -0.015 0.000 0.915 95 V CB 1.189 33.050 31.823 0.063 0.000 0.988 95 V HN 0.651 nan 8.190 nan 0.000 0.466 96 I N 4.461 124.917 120.570 -0.190 0.000 2.382 96 I HA 0.406 4.576 4.170 0.001 0.000 0.286 96 I C 0.073 175.998 176.117 -0.320 0.000 1.002 96 I CA 0.042 61.134 61.300 -0.347 0.000 1.135 96 I CB 1.754 39.506 38.000 -0.413 0.000 1.288 96 I HN 0.589 nan 8.210 nan 0.000 0.448 97 S N 4.208 119.684 115.700 -0.374 0.000 2.482 97 S HA 0.730 5.201 4.470 0.001 0.000 0.303 97 S C 0.076 174.567 174.600 -0.181 0.000 1.091 97 S CA -0.530 57.544 58.200 -0.210 0.000 1.057 97 S CB 1.496 64.611 63.200 -0.142 0.000 1.031 97 S HN 0.734 nan 8.310 nan 0.000 0.485 98 G N 1.948 110.725 108.800 -0.039 0.000 2.606 98 G HA2 0.650 4.610 3.960 0.001 0.000 0.252 98 G HA3 0.650 4.610 3.960 0.001 0.000 0.252 98 G C -0.286 174.587 174.900 -0.045 0.000 1.206 98 G CA 0.038 45.145 45.100 0.011 0.000 0.861 98 G HN 1.199 nan 8.290 nan 0.000 0.561 99 A N 1.175 123.874 122.820 -0.201 0.000 2.599 99 A HA 0.846 5.167 4.320 0.001 0.000 0.290 99 A C -3.027 174.123 177.584 -0.724 0.000 1.101 99 A CA -1.232 50.381 52.037 -0.707 0.000 0.674 99 A CB 1.174 19.887 19.000 -0.479 0.000 1.277 99 A HN 0.503 nan 8.150 nan 0.000 0.419 100 P HA 0.293 nan 4.420 nan 0.000 0.268 100 P C 0.540 177.718 177.300 -0.203 0.000 1.208 100 P CA 0.585 63.359 63.100 -0.542 0.000 0.777 100 P CB 0.549 31.904 31.700 -0.574 0.000 0.875 101 G N 0.473 109.262 108.800 -0.020 0.000 2.614 101 G HA2 0.139 4.099 3.960 0.001 0.000 0.239 101 G HA3 0.139 4.099 3.960 0.001 0.000 0.239 101 G C 1.208 176.081 174.900 -0.045 0.000 1.240 101 G CA 0.035 45.126 45.100 -0.015 0.000 0.842 101 G HN 0.563 nan 8.290 nan 0.000 0.584 102 T N -2.669 111.862 114.554 -0.038 0.000 2.996 102 T HA -0.163 4.187 4.350 0.001 0.000 0.271 102 T C 1.765 176.450 174.700 -0.027 0.000 1.126 102 T CA 1.851 63.927 62.100 -0.040 0.000 1.103 102 T CB -0.317 68.533 68.868 -0.030 0.000 0.870 102 T HN 0.778 nan 8.240 nan 0.000 0.528 103 T N -2.105 112.441 114.554 -0.013 0.000 3.132 103 T HA 0.353 4.703 4.350 0.001 0.000 0.274 103 T C 0.116 174.819 174.700 0.005 0.000 1.011 103 T CA -0.711 61.387 62.100 -0.004 0.000 0.899 103 T CB 0.084 68.953 68.868 0.002 0.000 1.089 103 T HN 0.474 nan 8.240 nan 0.000 0.543 104 E N 0.576 120.778 120.200 0.004 0.000 2.280 104 E HA 0.531 4.881 4.350 0.001 0.000 0.264 104 E C 0.852 177.459 176.600 0.013 0.000 1.064 104 E CA -0.417 55.998 56.400 0.024 0.000 0.900 104 E CB 0.970 30.701 29.700 0.052 0.000 1.123 104 E HN 0.329 nan 8.360 nan 0.000 0.418 105 G N 1.708 110.528 108.800 0.034 0.000 2.143 105 G HA2 -0.245 3.715 3.960 0.001 0.000 0.248 105 G HA3 -0.245 3.715 3.960 0.001 0.000 0.248 105 G C 0.275 175.189 174.900 0.024 0.000 0.991 105 G CA 0.013 45.132 45.100 0.032 0.000 0.689 105 G HN 0.521 nan 8.290 nan 0.000 0.522 106 N N -0.105 118.608 118.700 0.021 0.000 2.204 106 N HA 0.382 5.122 4.740 0.001 0.000 0.219 106 N C 1.393 176.915 175.510 0.019 0.000 1.151 106 N CA 0.577 53.637 53.050 0.016 0.000 0.867 106 N CB 0.870 39.363 38.487 0.010 0.000 1.043 106 N HN 0.636 nan 8.380 nan 0.000 0.516 107 A N -0.004 122.831 122.820 0.025 0.000 2.507 107 A HA 0.522 4.842 4.320 0.001 0.000 0.270 107 A C 1.367 178.967 177.584 0.026 0.000 1.318 107 A CA 0.159 52.210 52.037 0.024 0.000 0.924 107 A CB -0.389 18.627 19.000 0.027 0.000 1.061 107 A HN 0.188 nan 8.150 nan 0.000 0.516 108 G N -0.844 107.972 108.800 0.027 0.000 2.153 108 G HA2 -0.223 3.738 3.960 0.001 0.000 0.252 108 G HA3 -0.223 3.738 3.960 0.001 0.000 0.252 108 G C -0.042 174.879 174.900 0.035 0.000 0.994 108 G CA 0.664 45.780 45.100 0.028 0.000 0.698 108 G HN 0.531 nan 8.290 nan 0.000 0.521 109 L N -0.191 121.058 121.223 0.043 0.000 2.362 109 L HA 0.642 4.982 4.340 0.001 0.000 0.271 109 L C 0.779 177.690 176.870 0.070 0.000 1.002 109 L CA -1.250 53.623 54.840 0.055 0.000 0.818 109 L CB 1.774 43.868 42.059 0.058 0.000 1.298 109 L HN -0.015 nan 8.230 nan 0.000 0.420 110 L N 3.229 124.498 121.223 0.078 0.000 2.395 110 L HA 0.391 4.731 4.340 0.001 0.000 0.269 110 L C -0.439 176.511 176.870 0.132 0.000 1.133 110 L CA -0.387 54.511 54.840 0.096 0.000 0.812 110 L CB 0.730 42.843 42.059 0.090 0.000 1.125 110 L HN 0.374 nan 8.230 nan 0.000 0.452 111 L N 2.688 124.005 121.223 0.157 0.000 2.295 111 L HA 0.339 4.680 4.340 0.001 0.000 0.285 111 L C 0.229 177.234 176.870 0.224 0.000 1.035 111 L CA -1.069 53.902 54.840 0.218 0.000 0.806 111 L CB 0.984 43.166 42.059 0.205 0.000 1.214 111 L HN 0.626 nan 8.230 nan 0.000 0.426 112 H N 2.810 121.987 119.070 0.178 0.000 3.115 112 H HA -0.095 4.462 4.556 0.001 0.000 0.324 112 H C 0.041 175.528 175.328 0.265 0.000 1.007 112 H CA 0.465 56.577 56.048 0.107 0.000 1.385 112 H CB 0.250 29.950 29.762 -0.104 0.000 1.351 112 H HN 0.798 nan 8.280 nan 0.000 0.592 113 H N -1.155 118.041 119.070 0.210 0.000 4.059 113 H HA -0.207 4.349 4.556 0.001 0.000 0.139 113 H C 0.479 175.758 175.328 -0.081 0.000 0.756 113 H CA 1.057 57.167 56.048 0.103 0.000 1.257 113 H CB -1.374 28.490 29.762 0.171 0.000 0.775 113 H HN 0.912 nan 8.280 nan 0.000 0.511 114 Q N 1.395 121.299 119.800 0.173 0.000 2.354 114 Q HA 0.516 4.857 4.340 0.001 0.000 0.244 114 Q C 1.026 177.093 176.000 0.112 0.000 0.969 114 Q CA 0.248 56.112 55.803 0.102 0.000 0.885 114 Q CB 1.425 30.299 28.738 0.227 0.000 1.241 114 Q HN 0.305 nan 8.270 nan 0.000 0.461 115 G N 0.849 109.727 108.800 0.129 0.000 2.531 115 G HA2 0.061 4.021 3.960 0.001 0.000 0.253 115 G HA3 0.061 4.021 3.960 0.001 0.000 0.253 115 G C 0.354 175.308 174.900 0.090 0.000 1.439 115 G CA -0.420 44.761 45.100 0.136 0.000 1.056 115 G HN 0.873 nan 8.290 nan 0.000 0.555 116 R N -0.945 119.588 120.500 0.056 0.000 2.119 116 R HA -0.089 4.251 4.340 0.001 0.000 0.246 116 R C 1.176 177.513 176.300 0.062 0.000 1.146 116 R CA 2.020 58.148 56.100 0.045 0.000 0.962 116 R CB -0.546 29.769 30.300 0.025 0.000 0.863 116 R HN 0.609 nan 8.270 nan 0.000 0.442 117 T N -4.268 110.333 114.554 0.079 0.000 2.907 117 T HA 0.300 4.650 4.350 0.001 0.000 0.290 117 T C 1.111 175.881 174.700 0.117 0.000 1.066 117 T CA -0.906 61.243 62.100 0.081 0.000 1.012 117 T CB 1.364 70.269 68.868 0.062 0.000 1.184 117 T HN 0.050 nan 8.240 nan 0.000 0.522 118 L N -0.018 121.272 121.223 0.112 0.000 2.265 118 L HA 0.035 4.375 4.340 0.001 0.000 0.215 118 L C 1.940 178.921 176.870 0.185 0.000 1.117 118 L CA 1.415 56.353 54.840 0.164 0.000 0.782 118 L CB -0.376 41.728 42.059 0.074 0.000 0.914 118 L HN 0.776 nan 8.230 nan 0.000 0.441 119 D N -1.394 119.079 120.400 0.123 0.000 2.339 119 D HA -0.062 4.578 4.640 0.001 0.000 0.217 119 D C 1.835 178.249 176.300 0.191 0.000 1.050 119 D CA 0.340 54.417 54.000 0.128 0.000 0.856 119 D CB 0.345 41.165 40.800 0.033 0.000 0.922 119 D HN 0.028 nan 8.370 nan 0.000 0.518 120 T N -0.308 114.356 114.554 0.184 0.000 2.684 120 T HA -0.236 4.114 4.350 0.001 0.000 0.267 120 T C 1.736 176.611 174.700 0.292 0.000 1.036 120 T CA 1.384 63.608 62.100 0.206 0.000 1.148 120 T CB -0.218 68.764 68.868 0.191 0.000 0.863 120 T HN 0.296 nan 8.240 nan 0.000 0.436 121 Q N -0.246 119.721 119.800 0.278 0.000 2.061 121 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 121 Q C 2.062 178.157 176.000 0.159 0.000 0.984 121 Q CA 1.644 57.520 55.803 0.122 0.000 0.846 121 Q CB -0.376 28.178 28.738 -0.307 0.000 0.902 121 Q HN 0.571 nan 8.270 nan 0.000 0.421 122 F N 0.881 120.868 119.950 0.062 0.000 2.095 122 F HA -0.281 4.246 4.527 0.001 0.000 0.298 122 F C 2.378 178.204 175.800 0.043 0.000 1.104 122 F CA 1.643 59.680 58.000 0.062 0.000 1.232 122 F CB 0.003 39.098 39.000 0.159 0.000 0.987 122 F HN 0.173 nan 8.300 nan 0.000 0.475 123 Q N -0.106 119.899 119.800 0.342 0.000 2.124 123 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 123 Q C 2.523 178.566 176.000 0.070 0.000 0.977 123 Q CA 1.516 57.445 55.803 0.209 0.000 0.850 123 Q CB -0.969 27.865 28.738 0.161 0.000 0.901 123 Q HN 0.384 nan 8.270 nan 0.000 0.429 124 V N 0.160 120.116 119.914 0.069 0.000 2.307 124 V HA -0.200 3.920 4.120 0.001 0.000 0.245 124 V C 1.964 177.919 176.094 -0.231 0.000 1.045 124 V CA 1.472 63.746 62.300 -0.044 0.000 1.024 124 V CB -0.632 31.246 31.823 0.091 0.000 0.651 124 V HN 0.170 nan 8.190 nan 0.000 0.449 125 F N 0.550 120.304 119.950 -0.326 0.000 2.333 125 F HA -0.104 4.424 4.527 0.001 0.000 0.300 125 F C 2.253 177.843 175.800 -0.351 0.000 1.083 125 F CA 1.287 58.997 58.000 -0.482 0.000 1.395 125 F CB -0.389 37.956 39.000 -1.093 0.000 1.056 125 F HN 0.090 nan 8.300 nan 0.000 0.529 126 K N -0.092 120.211 120.400 -0.162 0.000 2.209 126 K HA -0.157 4.164 4.320 0.001 0.000 0.204 126 K C 1.699 178.242 176.600 -0.096 0.000 1.048 126 K CA 1.106 57.339 56.287 -0.090 0.000 0.940 126 K CB -0.133 32.368 32.500 0.003 0.000 0.729 126 K HN 0.192 nan 8.250 nan 0.000 0.451 127 E N 0.566 120.673 120.200 -0.155 0.000 2.358 127 E HA -0.088 4.262 4.350 0.001 0.000 0.195 127 E C 1.552 177.951 176.600 -0.336 0.000 1.010 127 E CA 0.836 57.115 56.400 -0.201 0.000 0.856 127 E CB 0.180 29.767 29.700 -0.189 0.000 0.795 127 E HN 0.542 nan 8.360 nan 0.000 0.504 128 I N -1.937 118.431 120.570 -0.337 0.000 3.817 128 I HA 0.248 4.419 4.170 0.001 0.000 0.325 128 I C -0.025 176.029 176.117 -0.104 0.000 1.550 128 I CA -0.406 60.652 61.300 -0.404 0.000 1.100 128 I CB 0.629 38.401 38.000 -0.381 0.000 1.216 128 I HN -0.235 nan 8.210 nan 0.000 0.481 129 T N -1.866 112.704 114.554 0.027 0.000 2.883 129 T HA 0.447 4.798 4.350 0.001 0.000 0.301 129 T C 0.606 175.472 174.700 0.277 0.000 1.158 129 T CA -0.048 62.196 62.100 0.240 0.000 1.007 129 T CB 2.049 71.031 68.868 0.191 0.000 1.186 129 T HN 0.042 nan 8.240 nan 0.000 0.499 130 V N -1.966 118.114 119.914 0.276 0.000 3.506 130 V HA 0.734 4.854 4.120 0.001 0.000 0.263 130 V C 0.668 176.868 176.094 0.176 0.000 1.203 130 V CA 0.562 63.003 62.300 0.235 0.000 1.133 130 V CB -0.900 31.032 31.823 0.181 0.000 0.802 130 V HN 1.319 nan 8.190 nan 0.000 0.459 131 A N 0.038 122.949 122.820 0.151 0.000 2.589 131 A HA 0.872 5.192 4.320 0.001 0.000 0.296 131 A C -1.402 176.244 177.584 0.104 0.000 1.062 131 A CA -0.659 51.456 52.037 0.130 0.000 0.686 131 A CB 1.972 21.055 19.000 0.139 0.000 1.282 131 A HN 0.378 nan 8.150 nan 0.000 0.404 132 Q N -0.502 119.354 119.800 0.094 0.000 2.416 132 Q HA 0.862 5.202 4.340 0.001 0.000 0.281 132 Q C -0.783 175.309 176.000 0.153 0.000 1.067 132 Q CA -0.040 55.794 55.803 0.051 0.000 0.809 132 Q CB 2.397 31.023 28.738 -0.187 0.000 1.418 132 Q HN 1.872 nan 8.270 nan 0.000 0.411 133 A N 1.017 123.918 122.820 0.135 0.000 2.540 133 A HA 0.742 5.062 4.320 0.001 0.000 0.297 133 A C -1.600 176.101 177.584 0.195 0.000 1.056 133 A CA -0.737 51.425 52.037 0.208 0.000 0.700 133 A CB 1.526 20.578 19.000 0.086 0.000 1.280 133 A HN 0.595 nan 8.150 nan 0.000 0.398 134 R N 3.017 123.662 120.500 0.243 0.000 2.215 134 R HA 0.537 4.877 4.340 0.001 0.000 0.336 134 R C -1.145 175.164 176.300 0.015 0.000 0.996 134 R CA -0.585 55.584 56.100 0.114 0.000 0.847 134 R CB 0.274 30.599 30.300 0.041 0.000 1.127 134 R HN 0.682 nan 8.270 nan 0.000 0.465 135 L N 5.964 127.171 121.223 -0.027 0.000 2.391 135 L HA 0.138 4.479 4.340 0.001 0.000 0.249 135 L C 0.151 177.007 176.870 -0.024 0.000 1.308 135 L CA -0.155 54.670 54.840 -0.025 0.000 1.209 135 L CB 0.003 42.040 42.059 -0.038 0.000 1.401 135 L HN 0.729 nan 8.230 nan 0.000 0.416 136 D N -1.674 118.712 120.400 -0.022 0.000 2.402 136 D HA 0.037 4.678 4.640 0.001 0.000 0.216 136 D C 0.106 176.397 176.300 -0.015 0.000 1.128 136 D CA -0.162 53.823 54.000 -0.025 0.000 0.833 136 D CB 0.398 41.173 40.800 -0.040 0.000 0.971 136 D HN 0.144 nan 8.370 nan 0.000 0.503 137 D N 0.358 120.754 120.400 -0.007 0.000 2.402 137 D HA 0.233 4.874 4.640 0.001 0.000 0.252 137 D C -2.017 174.288 176.300 0.008 0.000 1.294 137 D CA -2.011 51.989 54.000 -0.000 0.000 0.948 137 D CB 2.274 43.073 40.800 -0.002 0.000 1.202 137 D HN -0.261 nan 8.370 nan 0.000 0.561 138 P HA -0.159 nan 4.420 nan 0.000 0.216 138 P C 1.133 178.451 177.300 0.030 0.000 1.154 138 P CA 1.611 64.727 63.100 0.026 0.000 0.865 138 P CB 0.328 32.047 31.700 0.031 0.000 0.789 139 A N -0.446 122.390 122.820 0.026 0.000 1.972 139 A HA -0.191 4.129 4.320 0.001 0.000 0.219 139 A C 1.977 179.571 177.584 0.018 0.000 1.169 139 A CA 1.670 53.723 52.037 0.026 0.000 0.635 139 A CB -0.813 18.200 19.000 0.022 0.000 0.810 139 A HN 0.210 nan 8.150 nan 0.000 0.446 140 K N -0.763 119.645 120.400 0.014 0.000 2.361 140 K HA 0.337 4.658 4.320 0.001 0.000 0.194 140 K C 2.033 178.640 176.600 0.012 0.000 1.032 140 K CA 0.478 56.772 56.287 0.011 0.000 1.048 140 K CB 0.059 32.564 32.500 0.009 0.000 0.842 140 K HN 0.372 nan 8.250 nan 0.000 0.526 141 A N 2.719 125.547 122.820 0.013 0.000 1.892 141 A HA -0.121 4.200 4.320 0.001 0.000 0.218 141 A C -0.585 177.006 177.584 0.012 0.000 1.188 141 A CA 1.422 53.466 52.037 0.012 0.000 0.631 141 A CB -1.366 17.643 19.000 0.014 0.000 0.822 141 A HN 0.107 nan 8.150 nan 0.000 0.447 142 P HA -0.144 nan 4.420 nan 0.000 0.215 142 P C 1.766 179.072 177.300 0.010 0.000 1.157 142 P CA 2.070 65.175 63.100 0.007 0.000 0.868 142 P CB -0.127 31.571 31.700 -0.003 0.000 0.788 143 A N -0.324 122.502 122.820 0.010 0.000 1.930 143 A HA -0.188 4.133 4.320 0.001 0.000 0.217 143 A C 2.173 179.770 177.584 0.021 0.000 1.175 143 A CA 1.416 53.461 52.037 0.014 0.000 0.627 143 A CB -0.961 18.045 19.000 0.010 0.000 0.815 143 A HN 0.075 nan 8.150 nan 0.000 0.443 144 E N -0.022 120.191 120.200 0.021 0.000 2.072 144 E HA -0.093 4.257 4.350 0.001 0.000 0.190 144 E C 1.979 178.597 176.600 0.030 0.000 0.982 144 E CA 0.860 57.277 56.400 0.029 0.000 0.803 144 E CB -0.328 29.388 29.700 0.028 0.000 0.755 144 E HN 0.723 nan 8.360 nan 0.000 0.453 145 I N 1.096 121.678 120.570 0.021 0.000 2.226 145 I HA -0.257 3.913 4.170 0.001 0.000 0.245 145 I C 2.482 178.619 176.117 0.032 0.000 1.100 145 I CA 1.064 62.375 61.300 0.018 0.000 1.374 145 I CB -0.314 37.694 38.000 0.013 0.000 1.057 145 I HN -0.004 nan 8.210 nan 0.000 0.413 146 A N 0.758 123.599 122.820 0.035 0.000 1.902 146 A HA -0.237 4.083 4.320 0.001 0.000 0.217 146 A C 2.447 180.075 177.584 0.073 0.000 1.181 146 A CA 1.710 53.776 52.037 0.048 0.000 0.623 146 A CB -0.615 18.409 19.000 0.040 0.000 0.818 146 A HN 0.361 nan 8.150 nan 0.000 0.443 147 R N -0.358 120.182 120.500 0.066 0.000 2.073 147 R HA -0.095 4.246 4.340 0.001 0.000 0.234 147 R C 1.937 178.307 176.300 0.117 0.000 1.134 147 R CA 1.919 58.071 56.100 0.086 0.000 0.952 147 R CB -0.461 29.873 30.300 0.057 0.000 0.850 147 R HN 0.274 nan 8.270 nan 0.000 0.433 148 V N 1.545 121.511 119.914 0.088 0.000 2.295 148 V HA -0.236 3.884 4.120 0.001 0.000 0.246 148 V C 2.416 178.563 176.094 0.089 0.000 1.049 148 V CA 1.685 64.038 62.300 0.088 0.000 1.024 148 V CB -0.389 31.465 31.823 0.052 0.000 0.648 148 V HN 0.357 nan 8.190 nan 0.000 0.447 149 L N 0.286 121.550 121.223 0.068 0.000 2.141 149 L HA -0.059 4.282 4.340 0.001 0.000 0.209 149 L C 2.613 179.529 176.870 0.076 0.000 1.094 149 L CA 1.554 56.429 54.840 0.057 0.000 0.763 149 L CB -1.146 40.938 42.059 0.041 0.000 0.908 149 L HN 0.489 nan 8.230 nan 0.000 0.437 150 G N -0.222 108.650 108.800 0.121 0.000 2.422 150 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 150 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 150 G C 1.789 176.812 174.900 0.204 0.000 1.146 150 G CA 0.778 45.983 45.100 0.176 0.000 0.769 150 G HN 0.453 nan 8.290 nan 0.000 0.547 151 A N 1.174 124.160 122.820 0.276 0.000 1.898 151 A HA 0.303 4.624 4.320 0.001 0.000 0.216 151 A C 2.807 180.438 177.584 0.078 0.000 1.181 151 A CA 2.124 54.349 52.037 0.313 0.000 0.620 151 A CB -0.743 18.448 19.000 0.319 0.000 0.819 151 A HN 0.743 nan 8.150 nan 0.000 0.442 152 A N -0.065 122.791 122.820 0.059 0.000 1.902 152 A HA -0.176 4.144 4.320 0.001 0.000 0.217 152 A C 2.264 179.818 177.584 -0.049 0.000 1.181 152 A CA 1.608 53.650 52.037 0.008 0.000 0.623 152 A CB -0.431 18.583 19.000 0.023 0.000 0.818 152 A HN 0.569 nan 8.150 nan 0.000 0.443 153 R N -0.656 119.814 120.500 -0.050 0.000 2.062 153 R HA 0.021 4.362 4.340 0.001 0.000 0.229 153 R C 2.529 178.761 176.300 -0.113 0.000 1.128 153 R CA 1.133 57.191 56.100 -0.071 0.000 0.960 153 R CB -0.449 29.824 30.300 -0.044 0.000 0.855 153 R HN 0.489 nan 8.270 nan 0.000 0.432 154 A N 1.165 123.794 122.820 -0.318 0.000 1.898 154 A HA -0.182 4.138 4.320 0.001 0.000 0.216 154 A C 1.921 179.268 177.584 -0.395 0.000 1.181 154 A CA 1.242 52.896 52.037 -0.638 0.000 0.620 154 A CB -0.246 17.673 19.000 -1.803 0.000 0.819 154 A HN 0.319 nan 8.150 nan 0.000 0.442 155 Q N -1.310 118.308 119.800 -0.303 0.000 2.408 155 Q HA 0.142 4.482 4.340 0.001 0.000 0.205 155 Q C 0.427 176.353 176.000 -0.123 0.000 0.919 155 Q CA 0.495 56.199 55.803 -0.165 0.000 0.932 155 Q CB 0.467 29.142 28.738 -0.105 0.000 1.058 155 Q HN 0.523 nan 8.270 nan 0.000 0.517 156 S N 0.462 116.077 115.700 -0.141 0.000 3.628 156 S HA -0.182 4.289 4.470 0.001 0.000 0.373 156 S C -0.497 173.990 174.600 -0.188 0.000 0.968 156 S CA 0.433 58.499 58.200 -0.223 0.000 1.215 156 S CB -0.698 62.228 63.200 -0.457 0.000 0.912 156 S HN 0.371 nan 8.310 nan 0.000 0.495 157 R N 0.189 120.604 120.500 -0.143 0.000 2.836 157 R HA 0.552 4.892 4.340 0.001 0.000 0.269 157 R C -2.934 173.351 176.300 -0.024 0.000 1.010 157 R CA -2.427 53.582 56.100 -0.151 0.000 0.930 157 R CB 1.212 31.317 30.300 -0.326 0.000 1.218 157 R HN 0.127 nan 8.270 nan 0.000 0.473 158 P HA 0.040 nan 4.420 nan 0.000 0.269 158 P C -0.896 176.489 177.300 0.141 0.000 1.215 158 P CA -0.315 62.851 63.100 0.110 0.000 0.780 158 P CB 0.669 32.462 31.700 0.155 0.000 0.898 159 V N -0.717 119.273 119.914 0.126 0.000 3.141 159 V HA 0.655 4.775 4.120 0.001 0.000 0.312 159 V C -1.572 174.612 176.094 0.151 0.000 1.157 159 V CA -1.004 61.373 62.300 0.129 0.000 1.041 159 V CB 2.109 33.982 31.823 0.084 0.000 1.071 159 V HN 0.409 nan 8.190 nan 0.000 0.441 160 Y N 1.682 121.954 120.300 -0.047 0.000 2.361 160 Y HA 0.814 5.365 4.550 0.001 0.000 0.337 160 Y C -1.240 174.563 175.900 -0.163 0.000 0.965 160 Y CA -1.345 56.663 58.100 -0.153 0.000 1.091 160 Y CB 1.815 40.145 38.460 -0.217 0.000 1.182 160 Y HN 0.776 nan 8.280 nan 0.000 0.450 161 L N 6.240 126.997 121.223 -0.778 0.000 2.372 161 L HA 0.460 4.801 4.340 0.001 0.000 0.274 161 L C -0.785 175.554 176.870 -0.884 0.000 0.988 161 L CA -0.661 53.799 54.840 -0.633 0.000 0.833 161 L CB 2.022 43.875 42.059 -0.345 0.000 1.236 161 L HN 0.627 nan 8.230 nan 0.000 0.410 162 E N 4.586 124.370 120.200 -0.694 0.000 2.133 162 E HA 0.508 4.858 4.350 0.001 0.000 0.274 162 E C -1.176 175.278 176.600 -0.243 0.000 0.930 162 E CA -0.556 55.565 56.400 -0.465 0.000 0.770 162 E CB 1.331 30.945 29.700 -0.142 0.000 1.104 162 E HN 0.496 nan 8.360 nan 0.000 0.403 163 I N 6.730 127.156 120.570 -0.239 0.000 2.390 163 I HA 0.295 4.465 4.170 0.001 0.000 0.283 163 I C -2.269 173.780 176.117 -0.112 0.000 1.016 163 I CA -2.499 58.703 61.300 -0.163 0.000 1.151 163 I CB 1.507 39.389 38.000 -0.197 0.000 1.293 163 I HN 0.339 nan 8.210 nan 0.000 0.458 164 P HA 0.090 nan 4.420 nan 0.000 0.265 164 P C 0.752 178.042 177.300 -0.016 0.000 1.193 164 P CA -0.094 62.954 63.100 -0.087 0.000 0.765 164 P CB 0.677 32.332 31.700 -0.075 0.000 0.823 165 R N 3.249 123.763 120.500 0.024 0.000 2.119 165 R HA -0.226 4.114 4.340 0.001 0.000 0.246 165 R C 1.554 177.896 176.300 0.070 0.000 1.146 165 R CA 2.072 58.225 56.100 0.090 0.000 0.962 165 R CB -0.442 29.945 30.300 0.145 0.000 0.863 165 R HN 0.632 nan 8.270 nan 0.000 0.442 166 N N -0.395 118.331 118.700 0.044 0.000 2.521 166 N HA -0.107 4.633 4.740 0.001 0.000 0.188 166 N C 1.037 176.564 175.510 0.029 0.000 1.146 166 N CA 0.734 53.804 53.050 0.035 0.000 0.893 166 N CB 0.163 38.664 38.487 0.023 0.000 0.975 166 N HN 0.215 nan 8.380 nan 0.000 0.451 167 M N -0.168 119.450 119.600 0.030 0.000 2.414 167 M HA 0.162 4.642 4.480 0.001 0.000 0.251 167 M C 1.658 177.989 176.300 0.052 0.000 1.116 167 M CA 0.011 55.328 55.300 0.029 0.000 1.056 167 M CB -0.074 32.533 32.600 0.011 0.000 1.388 167 M HN -0.082 nan 8.290 nan 0.000 0.487 168 V N 1.883 121.844 119.914 0.078 0.000 2.282 168 V HA -0.289 3.832 4.120 0.001 0.000 0.249 168 V C 1.064 177.207 176.094 0.083 0.000 1.057 168 V CA 1.950 64.323 62.300 0.122 0.000 1.032 168 V CB -0.794 31.127 31.823 0.163 0.000 0.645 168 V HN 0.550 nan 8.190 nan 0.000 0.447 169 N N -0.259 118.474 118.700 0.056 0.000 2.279 169 N HA 0.418 5.158 4.740 0.001 0.000 0.226 169 N C 0.046 175.573 175.510 0.029 0.000 1.126 169 N CA 0.241 53.312 53.050 0.036 0.000 0.846 169 N CB 0.374 38.876 38.487 0.026 0.000 1.050 169 N HN 0.474 nan 8.380 nan 0.000 0.502 170 A N 0.645 123.486 122.820 0.034 0.000 2.371 170 A HA 0.179 4.500 4.320 0.001 0.000 0.257 170 A C 0.260 177.866 177.584 0.037 0.000 1.089 170 A CA -0.271 51.783 52.037 0.028 0.000 0.794 170 A CB 0.414 19.430 19.000 0.027 0.000 1.029 170 A HN 0.255 nan 8.150 nan 0.000 0.488 171 E N 0.037 120.257 120.200 0.034 0.000 2.316 171 E HA 0.395 4.746 4.350 0.001 0.000 0.275 171 E C -0.269 176.400 176.600 0.114 0.000 1.029 171 E CA -0.079 56.359 56.400 0.063 0.000 0.871 171 E CB 1.011 30.719 29.700 0.014 0.000 1.022 171 E HN 0.610 nan 8.360 nan 0.000 0.418 172 V N 0.090 120.088 119.914 0.141 0.000 3.181 172 V HA 0.467 4.587 4.120 0.001 0.000 0.308 172 V C -0.443 175.686 176.094 0.058 0.000 1.214 172 V CA -1.075 61.296 62.300 0.118 0.000 1.053 172 V CB 1.915 33.771 31.823 0.054 0.000 1.069 172 V HN 0.569 nan 8.190 nan 0.000 0.441 173 E N 1.661 121.829 120.200 -0.052 0.000 2.345 173 E HA 0.433 4.783 4.350 0.001 0.000 0.259 173 E C -2.491 174.058 176.600 -0.085 0.000 1.117 173 E CA -1.673 54.613 56.400 -0.190 0.000 0.913 173 E CB 0.772 30.358 29.700 -0.190 0.000 1.057 173 E HN 0.626 nan 8.360 nan 0.000 0.432 174 P HA -0.028 nan 4.420 nan 0.000 0.271 174 P C -0.901 176.382 177.300 -0.029 0.000 1.233 174 P CA -0.117 62.957 63.100 -0.043 0.000 0.789 174 P CB 0.475 32.149 31.700 -0.043 0.000 0.951 175 V N 1.853 121.759 119.914 -0.013 0.000 2.498 175 V HA 0.412 4.533 4.120 0.001 0.000 0.279 175 V C 1.179 177.272 176.094 -0.002 0.000 1.048 175 V CA 0.282 62.580 62.300 -0.004 0.000 0.967 175 V CB 0.604 32.431 31.823 0.006 0.000 0.988 175 V HN 0.755 nan 8.190 nan 0.000 0.473 176 G N 3.408 112.208 108.800 0.001 0.000 2.531 176 G HA2 0.274 4.234 3.960 0.001 0.000 0.253 176 G HA3 0.274 4.234 3.960 0.001 0.000 0.253 176 G C -0.389 174.520 174.900 0.016 0.000 1.439 176 G CA -0.534 44.569 45.100 0.005 0.000 1.056 176 G HN 0.629 nan 8.290 nan 0.000 0.555 177 D N 0.270 120.683 120.400 0.021 0.000 2.354 177 D HA 0.244 4.884 4.640 0.001 0.000 0.247 177 D C -0.100 176.230 176.300 0.051 0.000 1.138 177 D CA -0.140 53.880 54.000 0.034 0.000 0.958 177 D CB 0.590 41.410 40.800 0.033 0.000 1.144 177 D HN 0.137 nan 8.370 nan 0.000 0.458 178 D N 0.577 121.020 120.400 0.071 0.000 2.400 178 D HA 0.159 4.800 4.640 0.001 0.000 0.238 178 D C -1.989 174.388 176.300 0.127 0.000 1.157 178 D CA -0.661 53.406 54.000 0.112 0.000 0.889 178 D CB -0.252 40.634 40.800 0.143 0.000 1.199 178 D HN 0.003 nan 8.370 nan 0.000 0.436 179 P HA 0.194 nan 4.420 nan 0.000 0.269 179 P C -0.944 176.456 177.300 0.167 0.000 1.209 179 P CA -0.194 62.957 63.100 0.086 0.000 0.776 179 P CB 0.576 32.282 31.700 0.010 0.000 0.876 180 A N 2.329 125.211 122.820 0.102 0.000 2.363 180 A HA 0.334 4.655 4.320 0.001 0.000 0.270 180 A C -1.047 176.626 177.584 0.148 0.000 1.121 180 A CA -0.354 51.782 52.037 0.165 0.000 0.800 180 A CB -0.114 18.939 19.000 0.089 0.000 1.052 180 A HN 0.499 nan 8.150 nan 0.000 0.493 181 W N 4.001 125.298 121.300 -0.005 0.000 2.289 181 W HA 0.404 5.064 4.660 0.001 0.000 0.342 181 W C -1.750 174.761 176.519 -0.013 0.000 0.958 181 W CA -2.156 55.184 57.345 -0.009 0.000 1.492 181 W CB 0.115 29.566 29.460 -0.015 0.000 1.336 181 W HN 0.552 nan 8.180 nan 0.000 0.371 182 P HA 0.108 nan 4.420 nan 0.000 0.266 182 P C -0.705 176.646 177.300 0.085 0.000 1.195 182 P CA 0.224 63.372 63.100 0.080 0.000 0.768 182 P CB 1.711 33.431 31.700 0.034 0.000 0.838 183 V N 3.108 123.058 119.914 0.060 0.000 2.531 183 V HA 0.141 4.262 4.120 0.001 0.000 0.301 183 V C 0.171 176.285 176.094 0.033 0.000 1.034 183 V CA -0.654 61.674 62.300 0.046 0.000 0.865 183 V CB 1.707 33.547 31.823 0.028 0.000 0.995 183 V HN 0.617 nan 8.190 nan 0.000 0.424 184 D N 3.624 124.046 120.400 0.036 0.000 2.338 184 D HA 0.076 4.716 4.640 0.001 0.000 0.255 184 D C 1.342 177.657 176.300 0.025 0.000 1.237 184 D CA 0.021 54.040 54.000 0.031 0.000 0.883 184 D CB 1.242 42.066 40.800 0.040 0.000 1.087 184 D HN 0.289 nan 8.370 nan 0.000 0.485 185 R N 2.857 123.368 120.500 0.017 0.000 2.120 185 R HA -0.086 4.255 4.340 0.001 0.000 0.234 185 R C 1.356 177.663 176.300 0.011 0.000 1.123 185 R CA 1.247 57.353 56.100 0.009 0.000 0.975 185 R CB -0.454 29.850 30.300 0.007 0.000 0.866 185 R HN 0.642 nan 8.270 nan 0.000 0.446 186 D N 0.199 120.611 120.400 0.020 0.000 2.149 186 D HA 0.026 4.666 4.640 0.001 0.000 0.201 186 D C 1.992 178.317 176.300 0.041 0.000 0.972 186 D CA 1.484 55.499 54.000 0.025 0.000 0.835 186 D CB -0.335 40.481 40.800 0.026 0.000 0.966 186 D HN 0.401 nan 8.370 nan 0.000 0.476 187 A N 1.179 124.034 122.820 0.057 0.000 1.898 187 A HA -0.123 4.197 4.320 0.001 0.000 0.216 187 A C 2.169 179.779 177.584 0.043 0.000 1.181 187 A CA 0.795 52.897 52.037 0.108 0.000 0.620 187 A CB -0.658 18.419 19.000 0.129 0.000 0.819 187 A HN 0.196 nan 8.150 nan 0.000 0.442 188 L N -0.054 121.169 121.223 0.001 0.000 2.017 188 L HA -0.090 4.251 4.340 0.001 0.000 0.208 188 L C 2.658 179.481 176.870 -0.078 0.000 1.073 188 L CA 2.274 57.081 54.840 -0.055 0.000 0.745 188 L CB -0.874 41.166 42.059 -0.033 0.000 0.894 188 L HN 0.346 nan 8.230 nan 0.000 0.432 189 A N -0.541 122.256 122.820 -0.038 0.000 1.902 189 A HA -0.115 4.206 4.320 0.001 0.000 0.217 189 A C 2.449 180.005 177.584 -0.046 0.000 1.181 189 A CA 1.950 53.966 52.037 -0.035 0.000 0.623 189 A CB -1.205 17.789 19.000 -0.011 0.000 0.818 189 A HN 0.587 nan 8.150 nan 0.000 0.443 190 A N -1.215 121.593 122.820 -0.021 0.000 1.898 190 A HA -0.184 4.136 4.320 0.001 0.000 0.216 190 A C 2.401 179.912 177.584 -0.123 0.000 1.181 190 A CA 1.647 53.692 52.037 0.013 0.000 0.620 190 A CB -1.399 17.688 19.000 0.144 0.000 0.819 190 A HN 0.778 nan 8.150 nan 0.000 0.442 191 C N -0.663 118.392 119.300 -0.408 0.000 2.436 191 C HA 0.051 4.511 4.460 0.001 0.000 0.277 191 C C 3.180 177.922 174.990 -0.413 0.000 1.241 191 C CA 1.388 59.860 59.018 -0.911 0.000 1.721 191 C CB -1.315 25.849 27.740 -0.960 0.000 2.043 191 C HN 0.676 nan 8.230 nan 0.000 0.472 192 A N 0.225 122.901 122.820 -0.240 0.000 1.902 192 A HA -0.175 4.145 4.320 0.001 0.000 0.217 192 A C 1.869 179.392 177.584 -0.102 0.000 1.181 192 A CA 2.276 54.231 52.037 -0.137 0.000 0.623 192 A CB -0.790 18.161 19.000 -0.081 0.000 0.818 192 A HN 0.658 nan 8.150 nan 0.000 0.443 193 D N -0.699 119.653 120.400 -0.081 0.000 2.123 193 D HA -0.158 4.482 4.640 0.001 0.000 0.196 193 D C 1.898 178.175 176.300 -0.039 0.000 0.992 193 D CA 1.513 55.487 54.000 -0.043 0.000 0.833 193 D CB -0.300 40.489 40.800 -0.018 0.000 0.954 193 D HN 0.729 nan 8.370 nan 0.000 0.455 194 E N 0.254 120.428 120.200 -0.043 0.000 2.072 194 E HA -0.113 4.237 4.350 0.001 0.000 0.191 194 E C 2.120 178.680 176.600 -0.067 0.000 0.985 194 E CA 0.539 56.936 56.400 -0.005 0.000 0.801 194 E CB 0.242 30.005 29.700 0.104 0.000 0.750 194 E HN -0.007 nan 8.360 nan 0.000 0.452 195 V N 1.440 121.268 119.914 -0.143 0.000 2.261 195 V HA -0.258 3.863 4.120 0.001 0.000 0.246 195 V C 2.465 178.457 176.094 -0.169 0.000 1.047 195 V CA 1.560 63.719 62.300 -0.236 0.000 1.015 195 V CB -0.553 31.073 31.823 -0.328 0.000 0.642 195 V HN 0.342 nan 8.190 nan 0.000 0.446 196 L N 0.945 122.110 121.223 -0.097 0.000 2.042 196 L HA -0.131 4.210 4.340 0.001 0.000 0.210 196 L C 2.430 179.277 176.870 -0.039 0.000 1.076 196 L CA 2.453 57.265 54.840 -0.046 0.000 0.749 196 L CB -1.071 40.974 42.059 -0.023 0.000 0.893 196 L HN 0.240 nan 8.230 nan 0.000 0.432 197 A N -0.652 122.145 122.820 -0.038 0.000 1.902 197 A HA -0.079 4.241 4.320 0.001 0.000 0.217 197 A C 2.452 180.017 177.584 -0.031 0.000 1.181 197 A CA 1.826 53.849 52.037 -0.023 0.000 0.623 197 A CB -1.145 17.848 19.000 -0.011 0.000 0.818 197 A HN 0.578 nan 8.150 nan 0.000 0.443 198 A N -0.880 121.907 122.820 -0.055 0.000 1.902 198 A HA -0.110 4.210 4.320 0.001 0.000 0.217 198 A C 2.150 179.698 177.584 -0.060 0.000 1.181 198 A CA 1.951 53.949 52.037 -0.065 0.000 0.623 198 A CB -0.464 18.471 19.000 -0.109 0.000 0.818 198 A HN 0.419 nan 8.150 nan 0.000 0.443 199 M N -0.695 118.865 119.600 -0.067 0.000 2.229 199 M HA -0.048 4.433 4.480 0.001 0.000 0.264 199 M C 2.089 178.386 176.300 -0.005 0.000 1.063 199 M CA 1.302 56.587 55.300 -0.025 0.000 1.114 199 M CB -1.096 31.507 32.600 0.006 0.000 1.387 199 M HN 0.401 nan 8.290 nan 0.000 0.420 200 R N -0.921 119.574 120.500 -0.008 0.000 2.153 200 R HA -0.011 4.329 4.340 0.001 0.000 0.218 200 R C 2.426 178.725 176.300 -0.002 0.000 1.072 200 R CA 1.199 57.298 56.100 -0.000 0.000 0.990 200 R CB -0.210 30.090 30.300 -0.000 0.000 0.889 200 R HN 0.282 nan 8.270 nan 0.000 0.452 201 S N 0.585 116.281 115.700 -0.007 0.000 2.428 201 S HA 0.092 4.562 4.470 0.001 0.000 0.230 201 S C 0.820 175.417 174.600 -0.004 0.000 1.014 201 S CA 0.274 58.471 58.200 -0.005 0.000 0.957 201 S CB 0.041 63.237 63.200 -0.007 0.000 0.784 201 S HN 0.325 nan 8.310 nan 0.000 0.499 202 A N 1.167 123.983 122.820 -0.007 0.000 2.425 202 A HA 0.435 4.755 4.320 0.001 0.000 0.249 202 A C 1.416 179.001 177.584 0.002 0.000 1.084 202 A CA 0.298 52.333 52.037 -0.004 0.000 0.781 202 A CB 0.223 19.219 19.000 -0.006 0.000 1.019 202 A HN 0.580 nan 8.150 nan 0.000 0.490 203 T N -1.341 113.214 114.554 0.002 0.000 3.014 203 T HA 0.081 4.432 4.350 0.001 0.000 0.263 203 T C 0.904 175.608 174.700 0.006 0.000 1.078 203 T CA 1.223 63.326 62.100 0.004 0.000 1.135 203 T CB 0.003 68.874 68.868 0.004 0.000 0.895 203 T HN 0.730 nan 8.240 nan 0.000 0.480 204 S N 3.301 119.004 115.700 0.005 0.000 2.128 204 S HA 0.413 4.884 4.470 0.001 0.000 0.157 204 S C -2.888 171.717 174.600 0.009 0.000 1.650 204 S CA -1.503 56.701 58.200 0.007 0.000 1.269 204 S CB 0.524 63.727 63.200 0.005 0.000 1.227 204 S HN 0.265 nan 8.310 nan 0.000 0.405 205 P HA 0.285 nan 4.420 nan 0.000 0.271 205 P C -0.786 176.535 177.300 0.035 0.000 1.218 205 P CA -0.265 62.853 63.100 0.029 0.000 0.780 205 P CB 1.243 32.966 31.700 0.038 0.000 0.901 206 V N 3.641 123.584 119.914 0.048 0.000 2.686 206 V HA 0.216 4.337 4.120 0.001 0.000 0.306 206 V C -0.132 176.001 176.094 0.065 0.000 1.065 206 V CA -0.704 61.620 62.300 0.039 0.000 0.894 206 V CB 2.082 33.912 31.823 0.011 0.000 1.004 206 V HN 0.356 nan 8.190 nan 0.000 0.424 207 L N 5.044 126.287 121.223 0.034 0.000 2.255 207 L HA 0.581 4.922 4.340 0.001 0.000 0.289 207 L C -0.151 176.700 176.870 -0.031 0.000 1.046 207 L CA 0.217 55.050 54.840 -0.012 0.000 0.816 207 L CB 1.126 43.152 42.059 -0.054 0.000 1.197 207 L HN 0.746 nan 8.230 nan 0.000 0.427 208 M N 6.295 125.879 119.600 -0.026 0.000 2.066 208 M HA 0.517 4.998 4.480 0.001 0.000 0.340 208 M C -0.922 175.363 176.300 -0.025 0.000 1.053 208 M CA -0.789 54.509 55.300 -0.003 0.000 0.983 208 M CB 0.940 33.568 32.600 0.046 0.000 1.520 208 M HN 0.375 nan 8.290 nan 0.000 0.428 209 V N 2.703 122.600 119.914 -0.029 0.000 2.617 209 V HA 0.777 4.898 4.120 0.001 0.000 0.298 209 V C -0.511 175.584 176.094 0.002 0.000 1.048 209 V CA -0.655 61.626 62.300 -0.032 0.000 0.964 209 V CB 1.085 32.880 31.823 -0.047 0.000 1.004 209 V HN 1.068 nan 8.190 nan 0.000 0.466 210 C N 2.814 122.128 119.300 0.024 0.000 3.336 210 C HA 0.650 5.111 4.460 0.001 0.000 0.352 210 C C 1.889 176.910 174.990 0.052 0.000 1.567 210 C CA 0.338 59.379 59.018 0.039 0.000 1.328 210 C CB 1.515 29.295 27.740 0.068 0.000 1.922 210 C HN 1.404 nan 8.230 nan 0.000 0.439 211 V N 0.876 120.826 119.914 0.061 0.000 2.277 211 V HA -0.255 3.866 4.120 0.001 0.000 0.255 211 V C 1.778 177.898 176.094 0.043 0.000 1.074 211 V CA 2.865 65.196 62.300 0.051 0.000 1.058 211 V CB -1.243 30.622 31.823 0.071 0.000 0.656 211 V HN 0.940 nan 8.190 nan 0.000 0.449 212 E N 0.296 120.567 120.200 0.118 0.000 2.267 212 E HA -0.133 4.217 4.350 0.001 0.000 0.197 212 E C 2.262 178.930 176.600 0.114 0.000 0.998 212 E CA 1.470 57.936 56.400 0.111 0.000 0.830 212 E CB -0.353 29.503 29.700 0.261 0.000 0.751 212 E HN 0.655 nan 8.360 nan 0.000 0.491 213 V N 1.027 120.984 119.914 0.072 0.000 2.407 213 V HA -0.274 3.847 4.120 0.001 0.000 0.248 213 V C 2.372 178.474 176.094 0.013 0.000 1.055 213 V CA 2.142 64.465 62.300 0.039 0.000 1.049 213 V CB -0.411 31.412 31.823 -0.001 0.000 0.662 213 V HN 0.165 nan 8.190 nan 0.000 0.455 214 R N -0.328 120.161 120.500 -0.019 0.000 2.090 214 R HA -0.005 4.335 4.340 0.001 0.000 0.219 214 R C 2.484 178.729 176.300 -0.092 0.000 1.100 214 R CA 0.610 56.682 56.100 -0.048 0.000 0.991 214 R CB -0.186 30.082 30.300 -0.054 0.000 0.893 214 R HN 0.225 nan 8.270 nan 0.000 0.443 215 R N -0.103 120.299 120.500 -0.164 0.000 2.119 215 R HA -0.181 4.160 4.340 0.001 0.000 0.246 215 R C 1.094 177.130 176.300 -0.440 0.000 1.146 215 R CA 1.536 57.423 56.100 -0.356 0.000 0.962 215 R CB -0.777 29.180 30.300 -0.571 0.000 0.863 215 R HN 0.390 nan 8.270 nan 0.000 0.442 216 Y N -0.260 120.006 120.300 -0.057 0.000 2.532 216 Y HA 0.303 4.853 4.550 0.001 0.000 0.283 216 Y C 1.214 177.083 175.900 -0.053 0.000 1.181 216 Y CA -0.021 58.040 58.100 -0.066 0.000 1.256 216 Y CB -0.075 38.337 38.460 -0.080 0.000 1.112 216 Y HN 0.283 nan 8.280 nan 0.000 0.521 217 G N 0.970 109.790 108.800 0.035 0.000 2.305 217 G HA2 -0.296 3.664 3.960 0.001 0.000 0.287 217 G HA3 -0.296 3.664 3.960 0.001 0.000 0.287 217 G C 0.527 175.438 174.900 0.019 0.000 1.036 217 G CA 0.644 45.751 45.100 0.012 0.000 0.887 217 G HN 0.535 nan 8.290 nan 0.000 0.505 218 L N -0.947 120.292 121.223 0.028 0.000 2.607 218 L HA 0.225 4.565 4.340 0.001 0.000 0.228 218 L C 2.264 179.129 176.870 -0.008 0.000 1.123 218 L CA 0.203 55.051 54.840 0.014 0.000 0.890 218 L CB -0.088 41.987 42.059 0.026 0.000 1.103 218 L HN 0.342 nan 8.230 nan 0.000 0.468 219 E N 1.357 121.548 120.200 -0.015 0.000 2.058 219 E HA -0.250 4.100 4.350 0.001 0.000 0.194 219 E C 2.346 178.932 176.600 -0.023 0.000 0.997 219 E CA 1.519 57.904 56.400 -0.024 0.000 0.801 219 E CB -0.069 29.613 29.700 -0.031 0.000 0.746 219 E HN 0.556 nan 8.360 nan 0.000 0.450 220 A N 1.498 124.306 122.820 -0.019 0.000 1.898 220 A HA -0.203 4.117 4.320 0.001 0.000 0.216 220 A C 1.965 179.540 177.584 -0.015 0.000 1.181 220 A CA 1.434 53.461 52.037 -0.016 0.000 0.620 220 A CB -0.260 18.731 19.000 -0.014 0.000 0.819 220 A HN 0.038 nan 8.150 nan 0.000 0.442 221 K N -0.485 119.907 120.400 -0.014 0.000 2.097 221 K HA -0.039 4.281 4.320 0.001 0.000 0.205 221 K C 1.808 178.397 176.600 -0.020 0.000 1.050 221 K CA 1.300 57.578 56.287 -0.013 0.000 0.938 221 K CB -0.245 32.248 32.500 -0.012 0.000 0.718 221 K HN 0.310 nan 8.250 nan 0.000 0.442 222 V N 1.141 121.037 119.914 -0.029 0.000 2.453 222 V HA -0.196 3.924 4.120 0.001 0.000 0.247 222 V C 2.278 178.350 176.094 -0.036 0.000 1.048 222 V CA 1.854 64.127 62.300 -0.046 0.000 1.049 222 V CB -0.471 31.313 31.823 -0.064 0.000 0.672 222 V HN 0.325 nan 8.190 nan 0.000 0.457 223 A N 0.177 122.981 122.820 -0.026 0.000 1.902 223 A HA -0.266 4.054 4.320 0.001 0.000 0.217 223 A C 2.193 179.770 177.584 -0.012 0.000 1.181 223 A CA 2.131 54.157 52.037 -0.018 0.000 0.623 223 A CB -0.492 18.499 19.000 -0.014 0.000 0.818 223 A HN 0.548 nan 8.150 nan 0.000 0.443 224 E N -0.201 119.993 120.200 -0.011 0.000 2.077 224 E HA -0.171 4.179 4.350 0.001 0.000 0.193 224 E C 1.783 178.382 176.600 -0.002 0.000 0.989 224 E CA 1.324 57.721 56.400 -0.005 0.000 0.800 224 E CB -0.438 29.259 29.700 -0.005 0.000 0.746 224 E HN 0.428 nan 8.360 nan 0.000 0.452 225 L N 0.322 121.542 121.223 -0.006 0.000 2.012 225 L HA -0.066 4.274 4.340 0.001 0.000 0.210 225 L C 2.216 179.091 176.870 0.007 0.000 1.073 225 L CA 2.394 57.236 54.840 0.002 0.000 0.748 225 L CB -1.064 40.991 42.059 -0.006 0.000 0.891 225 L HN 0.180 nan 8.230 nan 0.000 0.431 226 A N -1.045 121.772 122.820 -0.005 0.000 1.933 226 A HA -0.292 4.028 4.320 0.001 0.000 0.218 226 A C 2.338 179.927 177.584 0.009 0.000 1.175 226 A CA 1.866 53.904 52.037 0.001 0.000 0.628 226 A CB -0.735 18.260 19.000 -0.009 0.000 0.814 226 A HN 0.695 nan 8.150 nan 0.000 0.444 227 Q N -0.477 119.326 119.800 0.005 0.000 2.079 227 Q HA -0.166 4.174 4.340 0.001 0.000 0.200 227 Q C 2.239 178.245 176.000 0.010 0.000 0.974 227 Q CA 1.476 57.283 55.803 0.007 0.000 0.840 227 Q CB -0.112 28.629 28.738 0.004 0.000 0.898 227 Q HN 0.673 nan 8.270 nan 0.000 0.430 228 R N -0.156 120.350 120.500 0.011 0.000 2.115 228 R HA -0.050 4.291 4.340 0.001 0.000 0.230 228 R C 2.240 178.550 176.300 0.017 0.000 1.111 228 R CA 0.953 57.061 56.100 0.013 0.000 0.976 228 R CB -0.087 30.221 30.300 0.013 0.000 0.870 228 R HN 0.320 nan 8.270 nan 0.000 0.445 229 L N -0.561 120.676 121.223 0.023 0.000 2.341 229 L HA 0.128 4.468 4.340 0.001 0.000 0.214 229 L C 1.028 177.913 176.870 0.025 0.000 1.115 229 L CA 0.510 55.368 54.840 0.030 0.000 0.820 229 L CB -0.017 42.071 42.059 0.048 0.000 0.944 229 L HN 0.433 nan 8.230 nan 0.000 0.452 230 G N 1.206 110.018 108.800 0.020 0.000 2.225 230 G HA2 -0.214 3.747 3.960 0.001 0.000 0.264 230 G HA3 -0.214 3.747 3.960 0.001 0.000 0.264 230 G C 0.002 174.914 174.900 0.020 0.000 1.060 230 G CA 0.307 45.417 45.100 0.017 0.000 0.833 230 G HN 0.288 nan 8.290 nan 0.000 0.498 231 V N -2.855 117.073 119.914 0.023 0.000 2.864 231 V HA 0.975 5.096 4.120 0.001 0.000 0.314 231 V C -1.813 174.292 176.094 0.018 0.000 1.073 231 V CA -2.361 59.953 62.300 0.025 0.000 0.956 231 V CB 2.243 34.089 31.823 0.039 0.000 1.023 231 V HN 0.193 nan 8.190 nan 0.000 0.435 232 P HA 0.410 nan 4.420 nan 0.000 0.277 232 P C -0.871 176.434 177.300 0.008 0.000 1.240 232 P CA -0.263 62.845 63.100 0.013 0.000 0.798 232 P CB 1.735 33.444 31.700 0.015 0.000 0.979 233 V N 2.532 122.448 119.914 0.004 0.000 2.459 233 V HA 0.426 4.546 4.120 0.001 0.000 0.295 233 V C 0.497 176.593 176.094 0.003 0.000 1.029 233 V CA -0.603 61.694 62.300 -0.005 0.000 0.874 233 V CB 1.724 33.539 31.823 -0.014 0.000 0.985 233 V HN 0.521 nan 8.190 nan 0.000 0.438 234 V N 1.382 121.298 119.914 0.003 0.000 2.876 234 V HA 0.916 5.036 4.120 0.001 0.000 0.312 234 V C -0.119 175.984 176.094 0.015 0.000 1.085 234 V CA -0.425 61.886 62.300 0.017 0.000 0.945 234 V CB 1.907 33.750 31.823 0.033 0.000 1.017 234 V HN 0.919 nan 8.190 nan 0.000 0.428 235 T N 0.288 114.853 114.554 0.018 0.000 2.944 235 T HA 0.712 5.063 4.350 0.001 0.000 0.284 235 T C 0.386 175.102 174.700 0.026 0.000 1.010 235 T CA 0.198 62.301 62.100 0.005 0.000 1.025 235 T CB 1.488 70.343 68.868 -0.022 0.000 1.079 235 T HN 1.489 nan 8.240 nan 0.000 0.516 236 T N -0.108 114.448 114.554 0.002 0.000 2.788 236 T HA 0.324 4.674 4.350 0.001 0.000 0.280 236 T C 0.876 175.574 174.700 -0.003 0.000 0.984 236 T CA -0.729 61.362 62.100 -0.015 0.000 0.972 236 T CB 0.306 69.130 68.868 -0.073 0.000 1.039 236 T HN 0.565 nan 8.240 nan 0.000 0.530 237 F N 0.956 120.807 119.950 -0.164 0.000 2.095 237 F HA -0.063 4.464 4.527 0.001 0.000 0.298 237 F C 2.444 178.141 175.800 -0.171 0.000 1.104 237 F CA 2.033 59.921 58.000 -0.187 0.000 1.232 237 F CB -0.451 38.416 39.000 -0.223 0.000 0.987 237 F HN 0.561 nan 8.300 nan 0.000 0.475 238 M N 0.763 120.376 119.600 0.022 0.000 2.159 238 M HA 0.013 4.494 4.480 0.001 0.000 0.263 238 M C 2.013 178.240 176.300 -0.122 0.000 1.063 238 M CA 2.067 57.333 55.300 -0.057 0.000 1.110 238 M CB -1.274 31.348 32.600 0.037 0.000 1.374 238 M HN 0.114 nan 8.290 nan 0.000 0.411 239 G N -0.446 108.302 108.800 -0.087 0.000 2.776 239 G HA2 -0.068 3.892 3.960 0.001 0.000 0.209 239 G HA3 -0.068 3.892 3.960 0.001 0.000 0.209 239 G C 0.534 175.372 174.900 -0.103 0.000 1.145 239 G CA -0.234 44.822 45.100 -0.073 0.000 0.791 239 G HN 0.406 nan 8.290 nan 0.000 0.530 240 R N 0.376 120.769 120.500 -0.179 0.000 2.538 240 R HA 0.367 4.707 4.340 0.001 0.000 0.282 240 R C 1.415 177.641 176.300 -0.123 0.000 1.009 240 R CA 1.132 57.125 56.100 -0.178 0.000 1.063 240 R CB 0.005 30.116 30.300 -0.314 0.000 0.945 240 R HN 0.429 nan 8.270 nan 0.000 0.414 241 G N 2.891 111.648 108.800 -0.071 0.000 2.213 241 G HA2 -0.239 3.721 3.960 0.001 0.000 0.226 241 G HA3 -0.239 3.721 3.960 0.001 0.000 0.226 241 G C -0.079 174.797 174.900 -0.040 0.000 0.992 241 G CA 0.007 45.078 45.100 -0.049 0.000 0.632 241 G HN 0.501 nan 8.290 nan 0.000 0.511 242 L N 0.709 121.907 121.223 -0.041 0.000 2.417 242 L HA 0.536 4.877 4.340 0.001 0.000 0.268 242 L C 1.498 178.354 176.870 -0.025 0.000 1.158 242 L CA -0.561 54.258 54.840 -0.035 0.000 0.819 242 L CB 0.825 42.864 42.059 -0.034 0.000 1.112 242 L HN 0.173 nan 8.230 nan 0.000 0.458 243 L N 2.092 123.299 121.223 -0.027 0.000 3.839 243 L HA -0.309 4.032 4.340 0.001 0.000 0.416 243 L C 1.495 178.359 176.870 -0.011 0.000 1.195 243 L CA 1.112 55.940 54.840 -0.020 0.000 0.946 243 L CB -1.696 40.354 42.059 -0.016 0.000 1.891 243 L HN 0.839 nan 8.230 nan 0.000 0.963 244 A N -0.126 122.685 122.820 -0.016 0.000 1.978 244 A HA -0.155 4.166 4.320 0.001 0.000 0.220 244 A C 1.435 179.014 177.584 -0.008 0.000 1.170 244 A CA 1.920 53.953 52.037 -0.007 0.000 0.636 244 A CB -0.388 18.601 19.000 -0.018 0.000 0.810 244 A HN 0.760 nan 8.150 nan 0.000 0.448 245 D N -1.307 119.083 120.400 -0.017 0.000 2.643 245 D HA 0.520 5.160 4.640 0.001 0.000 0.244 245 D C 0.150 176.444 176.300 -0.011 0.000 1.257 245 D CA 0.223 54.214 54.000 -0.015 0.000 0.831 245 D CB -0.066 40.721 40.800 -0.021 0.000 1.043 245 D HN 0.361 nan 8.370 nan 0.000 0.488 246 A N 1.063 123.879 122.820 -0.007 0.000 2.371 246 A HA 0.452 4.772 4.320 0.001 0.000 0.257 246 A C -1.154 176.430 177.584 0.000 0.000 1.089 246 A CA -1.111 50.923 52.037 -0.006 0.000 0.794 246 A CB 0.602 19.598 19.000 -0.005 0.000 1.029 246 A HN 0.034 nan 8.150 nan 0.000 0.488 247 P HA -0.077 nan 4.420 nan 0.000 0.216 247 P C 0.393 177.697 177.300 0.007 0.000 1.153 247 P CA 1.470 64.571 63.100 0.002 0.000 0.858 247 P CB 0.149 31.850 31.700 0.001 0.000 0.789 248 T N 1.770 116.328 114.554 0.008 0.000 2.893 248 T HA 0.299 4.649 4.350 0.001 0.000 0.324 248 T C -2.394 172.314 174.700 0.014 0.000 1.082 248 T CA -1.408 60.699 62.100 0.012 0.000 0.983 248 T CB 1.055 69.929 68.868 0.010 0.000 1.005 248 T HN 0.022 nan 8.240 nan 0.000 0.475 249 P HA 0.317 nan 4.420 nan 0.000 0.273 249 P C -2.752 174.562 177.300 0.024 0.000 1.250 249 P CA -1.514 61.602 63.100 0.027 0.000 0.793 249 P CB -0.252 31.478 31.700 0.049 0.000 1.011 250 P HA 0.091 nan 4.420 nan 0.000 0.268 250 P C 1.250 178.562 177.300 0.020 0.000 1.208 250 P CA 0.136 63.245 63.100 0.014 0.000 0.777 250 P CB 0.277 31.983 31.700 0.010 0.000 0.875 251 L N 0.408 121.642 121.223 0.019 0.000 2.131 251 L HA 0.042 4.382 4.340 0.001 0.000 0.210 251 L C 1.353 178.239 176.870 0.026 0.000 1.092 251 L CA 1.686 56.540 54.840 0.024 0.000 0.759 251 L CB -0.636 41.438 42.059 0.024 0.000 0.903 251 L HN 0.657 nan 8.230 nan 0.000 0.435 252 G N -1.930 106.882 108.800 0.020 0.000 2.335 252 G HA2 0.240 4.201 3.960 0.001 0.000 0.291 252 G HA3 0.240 4.201 3.960 0.001 0.000 0.291 252 G C -1.393 173.517 174.900 0.016 0.000 1.261 252 G CA -0.513 44.597 45.100 0.017 0.000 0.871 252 G HN -0.235 nan 8.290 nan 0.000 0.491 253 T N 0.485 115.045 114.554 0.009 0.000 2.812 253 T HA 0.474 4.825 4.350 0.001 0.000 0.282 253 T C -1.239 173.495 174.700 0.056 0.000 0.990 253 T CA -0.140 61.972 62.100 0.020 0.000 0.960 253 T CB 1.320 70.172 68.868 -0.027 0.000 0.948 253 T HN 0.544 nan 8.240 nan 0.000 0.438 254 Y N 4.447 124.728 120.300 -0.031 0.000 2.436 254 Y HA 0.415 4.965 4.550 0.001 0.000 0.336 254 Y C 0.329 176.232 175.900 0.004 0.000 1.049 254 Y CA -0.682 57.402 58.100 -0.026 0.000 1.294 254 Y CB 0.089 38.523 38.460 -0.043 0.000 1.179 254 Y HN 0.630 nan 8.280 nan 0.000 0.520 255 I N 6.286 126.489 120.570 -0.613 0.000 3.578 255 I HA 0.243 4.414 4.170 0.001 0.000 0.321 255 I C 1.174 176.976 176.117 -0.524 0.000 1.510 255 I CA 0.041 61.079 61.300 -0.437 0.000 1.002 255 I CB -0.077 37.902 38.000 -0.036 0.000 1.427 255 I HN 0.949 nan 8.210 nan 0.000 0.575 256 G N 2.546 110.722 108.800 -1.040 0.000 2.634 256 G HA2 -0.396 3.564 3.960 0.001 0.000 0.309 256 G HA3 -0.396 3.564 3.960 0.001 0.000 0.309 256 G C 1.054 175.850 174.900 -0.173 0.000 1.265 256 G CA 1.368 46.189 45.100 -0.466 0.000 0.998 256 G HN 0.524 nan 8.290 nan 0.000 0.551 257 V N -1.704 118.152 119.914 -0.096 0.000 2.867 257 V HA 0.309 4.430 4.120 0.001 0.000 0.260 257 V C 2.731 178.800 176.094 -0.042 0.000 1.099 257 V CA 2.661 64.928 62.300 -0.055 0.000 1.122 257 V CB -1.000 30.791 31.823 -0.053 0.000 0.708 257 V HN 2.033 nan 8.190 nan 0.000 0.490 258 A N 0.170 122.971 122.820 -0.031 0.000 2.195 258 A HA 0.628 4.948 4.320 0.001 0.000 0.210 258 A C 1.416 179.015 177.584 0.026 0.000 1.165 258 A CA 0.655 52.716 52.037 0.039 0.000 0.806 258 A CB -0.456 18.652 19.000 0.180 0.000 0.847 258 A HN 0.726 nan 8.150 nan 0.000 0.482 259 G N -0.719 108.053 108.800 -0.047 0.000 2.795 259 G HA2 0.415 4.375 3.960 0.001 0.000 0.267 259 G HA3 0.415 4.375 3.960 0.001 0.000 0.267 259 G C -1.043 173.789 174.900 -0.113 0.000 1.362 259 G CA -0.290 44.766 45.100 -0.073 0.000 1.048 259 G HN 0.176 nan 8.290 nan 0.000 0.547 260 D N -0.558 119.705 120.400 -0.229 0.000 2.450 260 D HA 0.336 4.976 4.640 0.001 0.000 0.247 260 D C 1.468 177.685 176.300 -0.138 0.000 1.162 260 D CA 0.624 54.446 54.000 -0.298 0.000 0.879 260 D CB 1.201 41.576 40.800 -0.707 0.000 1.163 260 D HN 0.391 nan 8.370 nan 0.000 0.472 261 A N 4.307 127.081 122.820 -0.077 0.000 1.940 261 A HA -0.204 4.117 4.320 0.001 0.000 0.219 261 A C 1.953 179.531 177.584 -0.010 0.000 1.176 261 A CA 1.157 53.178 52.037 -0.026 0.000 0.631 261 A CB -0.415 18.579 19.000 -0.011 0.000 0.814 261 A HN 0.677 nan 8.150 nan 0.000 0.446 262 E N -0.041 120.144 120.200 -0.025 0.000 2.072 262 E HA -0.115 4.235 4.350 0.001 0.000 0.191 262 E C 2.063 178.667 176.600 0.006 0.000 0.985 262 E CA 0.774 57.172 56.400 -0.004 0.000 0.801 262 E CB -0.380 29.320 29.700 -0.001 0.000 0.750 262 E HN 0.560 nan 8.360 nan 0.000 0.452 263 I N 1.183 121.743 120.570 -0.017 0.000 2.179 263 I HA -0.210 3.961 4.170 0.001 0.000 0.242 263 I C 2.215 178.400 176.117 0.114 0.000 1.088 263 I CA 1.285 62.602 61.300 0.028 0.000 1.357 263 I CB -1.484 36.514 38.000 -0.003 0.000 1.051 263 I HN 0.082 nan 8.210 nan 0.000 0.409 264 T N 0.422 115.056 114.554 0.132 0.000 2.720 264 T HA -0.219 4.131 4.350 0.001 0.000 0.268 264 T C 2.095 176.895 174.700 0.167 0.000 1.037 264 T CA 1.504 63.757 62.100 0.254 0.000 1.144 264 T CB -0.239 68.715 68.868 0.143 0.000 0.864 264 T HN 0.266 nan 8.240 nan 0.000 0.444 265 R N 0.235 120.786 120.500 0.085 0.000 2.081 265 R HA -0.050 4.291 4.340 0.001 0.000 0.235 265 R C 2.399 178.720 176.300 0.036 0.000 1.131 265 R CA 1.128 57.260 56.100 0.053 0.000 0.960 265 R CB -0.485 29.835 30.300 0.033 0.000 0.856 265 R HN 0.281 nan 8.270 nan 0.000 0.436 266 L N 0.514 121.756 121.223 0.032 0.000 2.012 266 L HA -0.162 4.178 4.340 0.001 0.000 0.210 266 L C 2.041 178.906 176.870 -0.008 0.000 1.073 266 L CA 1.677 56.526 54.840 0.014 0.000 0.748 266 L CB -0.486 41.584 42.059 0.017 0.000 0.891 266 L HN 0.026 nan 8.230 nan 0.000 0.431 267 V N -0.195 119.703 119.914 -0.028 0.000 2.261 267 V HA -0.272 3.848 4.120 0.001 0.000 0.246 267 V C 2.458 178.479 176.094 -0.122 0.000 1.047 267 V CA 2.166 64.385 62.300 -0.135 0.000 1.015 267 V CB -0.690 30.899 31.823 -0.390 0.000 0.642 267 V HN 0.506 nan 8.190 nan 0.000 0.446 268 E N -0.423 119.741 120.200 -0.061 0.000 2.347 268 E HA -0.158 4.192 4.350 0.001 0.000 0.196 268 E C 1.948 178.543 176.600 -0.008 0.000 1.008 268 E CA 0.824 57.213 56.400 -0.018 0.000 0.852 268 E CB -0.005 29.731 29.700 0.059 0.000 0.783 268 E HN 0.677 nan 8.360 nan 0.000 0.505 269 E N 0.507 120.704 120.200 -0.005 0.000 2.452 269 E HA 0.046 4.397 4.350 0.001 0.000 0.197 269 E C 0.410 177.004 176.600 -0.009 0.000 1.022 269 E CA -0.220 56.179 56.400 -0.002 0.000 0.890 269 E CB 0.555 30.259 29.700 0.006 0.000 0.918 269 E HN -0.086 nan 8.360 nan 0.000 0.496 270 S N 2.183 117.872 115.700 -0.018 0.000 2.552 270 S HA -0.052 4.419 4.470 0.001 0.000 0.289 270 S C 0.511 175.099 174.600 -0.020 0.000 1.304 270 S CA -0.161 58.029 58.200 -0.017 0.000 1.063 270 S CB 0.440 63.627 63.200 -0.022 0.000 0.848 270 S HN 0.213 nan 8.310 nan 0.000 0.499 271 D N 2.594 122.986 120.400 -0.014 0.000 2.424 271 D HA 0.207 4.848 4.640 0.001 0.000 0.220 271 D C 0.488 176.774 176.300 -0.023 0.000 1.150 271 D CA -0.082 53.907 54.000 -0.018 0.000 0.831 271 D CB -0.115 40.678 40.800 -0.011 0.000 0.981 271 D HN 0.517 nan 8.370 nan 0.000 0.500 272 G N 0.889 109.679 108.800 -0.016 0.000 4.613 272 G HA2 0.299 4.259 3.960 0.001 0.000 0.232 272 G HA3 0.299 4.259 3.960 0.001 0.000 0.232 272 G C -1.079 173.831 174.900 0.018 0.000 0.947 272 G CA -0.568 44.525 45.100 -0.012 0.000 0.715 272 G HN 0.146 nan 8.290 nan 0.000 0.518 273 L N 1.796 123.021 121.223 0.004 0.000 2.342 273 L HA 0.586 4.926 4.340 0.001 0.000 0.285 273 L C -0.950 175.990 176.870 0.117 0.000 1.095 273 L CA -1.297 53.563 54.840 0.035 0.000 0.843 273 L CB 0.049 42.095 42.059 -0.023 0.000 1.201 273 L HN 0.175 nan 8.230 nan 0.000 0.445 274 F N 6.786 126.724 119.950 -0.020 0.000 2.313 274 F HA 0.367 4.895 4.527 0.001 0.000 0.369 274 F C -0.529 175.290 175.800 0.033 0.000 1.109 274 F CA -1.511 56.490 58.000 0.001 0.000 1.132 274 F CB 0.433 39.433 39.000 0.000 0.000 1.291 274 F HN 0.265 nan 8.300 nan 0.000 0.496 275 L N 7.389 128.855 121.223 0.404 0.000 2.385 275 L HA 0.157 4.497 4.340 0.001 0.000 0.285 275 L C -0.320 176.701 176.870 0.252 0.000 1.125 275 L CA -0.594 54.403 54.840 0.260 0.000 0.890 275 L CB 0.323 42.518 42.059 0.226 0.000 1.251 275 L HN 0.384 nan 8.230 nan 0.000 0.445 276 L N 4.200 125.407 121.223 -0.026 0.000 2.312 276 L HA 0.408 4.749 4.340 0.001 0.000 0.287 276 L C 1.052 177.950 176.870 0.047 0.000 1.091 276 L CA 0.468 55.225 54.840 -0.138 0.000 0.846 276 L CB 0.549 42.345 42.059 -0.439 0.000 1.219 276 L HN 0.746 nan 8.230 nan 0.000 0.439 277 G N 3.557 112.457 108.800 0.168 0.000 2.221 277 G HA2 -0.178 3.782 3.960 0.001 0.000 0.265 277 G HA3 -0.178 3.782 3.960 0.001 0.000 0.265 277 G C 0.316 175.445 174.900 0.381 0.000 1.041 277 G CA 0.158 45.442 45.100 0.306 0.000 0.807 277 G HN 1.099 nan 8.290 nan 0.000 0.502 278 A N -0.222 122.771 122.820 0.289 0.000 2.328 278 A HA 0.748 5.068 4.320 0.001 0.000 0.284 278 A C 0.572 177.952 177.584 -0.340 0.000 1.160 278 A CA -0.497 51.600 52.037 0.101 0.000 0.818 278 A CB 0.535 19.655 19.000 0.200 0.000 1.087 278 A HN 0.712 nan 8.150 nan 0.000 0.504 279 I N 2.830 123.186 120.570 -0.357 0.000 2.396 279 I HA 0.068 4.238 4.170 0.001 0.000 0.289 279 I C -0.110 175.839 176.117 -0.279 0.000 1.056 279 I CA 0.063 61.012 61.300 -0.584 0.000 1.365 279 I CB 0.885 38.618 38.000 -0.445 0.000 1.407 279 I HN 0.503 nan 8.210 nan 0.000 0.509 280 L N 7.296 128.328 121.223 -0.318 0.000 2.423 280 L HA 0.165 4.506 4.340 0.001 0.000 0.249 280 L C 0.611 177.457 176.870 -0.039 0.000 1.276 280 L CA -0.203 54.566 54.840 -0.118 0.000 1.199 280 L CB -0.837 41.040 42.059 -0.303 0.000 1.407 280 L HN 0.669 nan 8.230 nan 0.000 0.410 281 S N -2.133 113.573 115.700 0.011 0.000 2.690 281 S HA 0.261 4.732 4.470 0.001 0.000 0.291 281 S C 0.836 175.526 174.600 0.150 0.000 1.138 281 S CA -0.714 57.486 58.200 -0.001 0.000 1.013 281 S CB 1.758 64.880 63.200 -0.131 0.000 1.053 281 S HN 0.502 nan 8.310 nan 0.000 0.539 282 D N 1.135 121.631 120.400 0.161 0.000 2.144 282 D HA -0.116 4.525 4.640 0.001 0.000 0.199 282 D C 1.500 177.881 176.300 0.135 0.000 0.984 282 D CA 1.686 55.777 54.000 0.151 0.000 0.834 282 D CB -1.477 39.407 40.800 0.140 0.000 0.955 282 D HN 0.558 nan 8.370 nan 0.000 0.465 283 T N 0.373 115.009 114.554 0.137 0.000 2.821 283 T HA -0.088 4.262 4.350 0.001 0.000 0.267 283 T C 1.561 176.218 174.700 -0.073 0.000 1.046 283 T CA 1.245 63.385 62.100 0.066 0.000 1.139 283 T CB -0.205 68.662 68.868 -0.001 0.000 0.871 283 T HN 0.137 nan 8.240 nan 0.000 0.454 284 N N 0.204 118.843 118.700 -0.102 0.000 2.300 284 N HA 0.102 4.842 4.740 0.001 0.000 0.179 284 N C 0.897 176.037 175.510 -0.617 0.000 1.016 284 N CA 0.855 53.672 53.050 -0.388 0.000 0.876 284 N CB -0.070 38.053 38.487 -0.608 0.000 0.979 284 N HN 0.397 nan 8.380 nan 0.000 0.432 285 F N -0.928 119.087 119.950 0.107 0.000 2.819 285 F HA 0.436 4.963 4.527 0.001 0.000 0.325 285 F C 1.765 177.620 175.800 0.092 0.000 1.041 285 F CA -0.371 57.715 58.000 0.144 0.000 1.184 285 F CB -0.257 38.782 39.000 0.065 0.000 1.019 285 F HN -0.141 nan 8.300 nan 0.000 0.590 286 A N 0.162 123.096 122.820 0.188 0.000 2.209 286 A HA 0.070 4.390 4.320 0.001 0.000 0.212 286 A C 1.365 178.955 177.584 0.010 0.000 1.158 286 A CA 0.741 52.839 52.037 0.101 0.000 0.742 286 A CB -1.004 18.044 19.000 0.081 0.000 0.790 286 A HN 0.102 nan 8.150 nan 0.000 0.472 287 V N 0.886 120.787 119.914 -0.022 0.000 3.394 287 V HA 0.177 4.298 4.120 0.001 0.000 0.340 287 V C 1.889 177.951 176.094 -0.054 0.000 1.174 287 V CA 0.424 62.652 62.300 -0.119 0.000 1.368 287 V CB -2.442 29.307 31.823 -0.122 0.000 1.111 287 V HN 0.780 nan 8.190 nan 0.000 0.420 288 S N 0.625 116.331 115.700 0.010 0.000 4.255 288 S HA -0.411 4.059 4.470 0.001 0.000 0.537 288 S C 1.390 176.026 174.600 0.059 0.000 0.923 288 S CA 2.748 60.977 58.200 0.048 0.000 3.384 288 S CB -0.452 62.757 63.200 0.015 0.000 2.351 288 S HN 0.645 nan 8.310 nan 0.000 0.350 289 Q N -3.021 116.799 119.800 0.033 0.000 7.595 289 Q HA -0.132 4.208 4.340 0.001 0.000 0.355 289 Q C -0.992 175.033 176.000 0.041 0.000 1.270 289 Q CA 1.595 57.419 55.803 0.035 0.000 0.517 289 Q CB -0.789 27.985 28.738 0.060 0.000 0.161 289 Q HN 0.949 nan 8.270 nan 0.000 0.863 290 R N 1.327 121.865 120.500 0.064 0.000 2.500 290 R HA 0.556 4.897 4.340 0.001 0.000 0.299 290 R C -0.493 175.843 176.300 0.059 0.000 1.038 290 R CA 0.325 56.455 56.100 0.050 0.000 0.903 290 R CB 1.191 31.518 30.300 0.045 0.000 1.177 290 R HN 0.374 nan 8.270 nan 0.000 0.455 291 K N 3.807 124.231 120.400 0.041 0.000 2.504 291 K HA 0.039 4.359 4.320 0.001 0.000 0.278 291 K C 0.573 177.189 176.600 0.025 0.000 1.025 291 K CA 0.609 56.917 56.287 0.036 0.000 1.093 291 K CB -0.321 32.189 32.500 0.016 0.000 0.873 291 K HN 0.604 nan 8.250 nan 0.000 0.483 292 I N 2.703 123.290 120.570 0.027 0.000 2.352 292 I HA 0.053 4.223 4.170 0.001 0.000 0.290 292 I C 0.300 176.379 176.117 -0.064 0.000 1.036 292 I CA -0.552 60.736 61.300 -0.020 0.000 1.336 292 I CB 1.514 39.498 38.000 -0.027 0.000 1.407 292 I HN 0.722 nan 8.210 nan 0.000 0.497 293 D N 7.437 127.799 120.400 -0.064 0.000 2.374 293 D HA 0.111 4.751 4.640 0.001 0.000 0.240 293 D C 1.029 177.254 176.300 -0.126 0.000 1.229 293 D CA 0.001 53.960 54.000 -0.069 0.000 0.895 293 D CB 0.872 41.651 40.800 -0.034 0.000 1.046 293 D HN 0.452 nan 8.370 nan 0.000 0.498 294 L N 3.240 124.361 121.223 -0.171 0.000 2.265 294 L HA -0.109 4.231 4.340 0.001 0.000 0.215 294 L C 2.266 179.012 176.870 -0.207 0.000 1.117 294 L CA 0.732 55.422 54.840 -0.249 0.000 0.782 294 L CB -0.112 41.757 42.059 -0.317 0.000 0.914 294 L HN 0.298 nan 8.230 nan 0.000 0.441 295 R N 0.064 120.471 120.500 -0.154 0.000 2.235 295 R HA -0.078 4.262 4.340 0.001 0.000 0.213 295 R C 1.594 177.681 176.300 -0.355 0.000 1.059 295 R CA 0.649 56.627 56.100 -0.203 0.000 0.997 295 R CB 0.007 30.283 30.300 -0.039 0.000 0.884 295 R HN 0.321 nan 8.270 nan 0.000 0.462 296 K N 0.357 120.617 120.400 -0.233 0.000 2.374 296 K HA 0.032 4.353 4.320 0.001 0.000 0.196 296 K C 0.568 177.055 176.600 -0.189 0.000 1.023 296 K CA 0.284 56.437 56.287 -0.223 0.000 1.103 296 K CB 0.813 33.244 32.500 -0.114 0.000 0.848 296 K HN 0.179 nan 8.250 nan 0.000 0.528 297 T N -1.959 112.482 114.554 -0.189 0.000 2.884 297 T HA 0.500 4.850 4.350 0.001 0.000 0.277 297 T C 0.232 174.851 174.700 -0.134 0.000 0.976 297 T CA -0.792 61.224 62.100 -0.139 0.000 0.956 297 T CB 1.189 69.972 68.868 -0.141 0.000 1.113 297 T HN -0.078 nan 8.240 nan 0.000 0.554 298 I N 1.448 121.971 120.570 -0.077 0.000 2.355 298 I HA 0.293 4.464 4.170 0.001 0.000 0.288 298 I C -0.074 176.122 176.117 0.131 0.000 0.999 298 I CA -0.666 60.567 61.300 -0.112 0.000 1.163 298 I CB 1.040 38.793 38.000 -0.411 0.000 1.316 298 I HN 0.729 nan 8.210 nan 0.000 0.454 299 H N 6.307 125.381 119.070 0.006 0.000 2.708 299 H HA 0.649 5.206 4.556 0.001 0.000 0.320 299 H C -1.227 174.196 175.328 0.159 0.000 0.991 299 H CA -0.762 55.342 56.048 0.094 0.000 1.243 299 H CB 1.584 31.348 29.762 0.004 0.000 1.446 299 H HN 0.718 nan 8.280 nan 0.000 0.502 300 A N 5.799 128.663 122.820 0.073 0.000 2.273 300 A HA 0.548 4.868 4.320 0.001 0.000 0.315 300 A C -1.631 175.932 177.584 -0.036 0.000 1.256 300 A CA -0.445 51.606 52.037 0.024 0.000 0.851 300 A CB 0.059 19.177 19.000 0.196 0.000 1.172 300 A HN 0.575 nan 8.150 nan 0.000 0.508 301 F N 1.581 121.335 119.950 -0.325 0.000 2.725 301 F HA 0.384 4.911 4.527 0.001 0.000 0.309 301 F C -0.732 174.997 175.800 -0.119 0.000 1.132 301 F CA -0.529 57.334 58.000 -0.229 0.000 0.957 301 F CB 1.432 40.206 39.000 -0.376 0.000 1.286 301 F HN 0.651 nan 8.300 nan 0.000 0.440 302 D N 4.210 124.109 120.400 -0.835 0.000 2.708 302 D HA -0.232 4.409 4.640 0.001 0.000 0.236 302 D C 0.363 176.534 176.300 -0.214 0.000 1.146 302 D CA 1.573 55.257 54.000 -0.526 0.000 0.662 302 D CB -0.460 40.134 40.800 -0.344 0.000 1.059 302 D HN 0.823 nan 8.370 nan 0.000 0.428 303 R N -3.529 116.849 120.500 -0.203 0.000 3.770 303 R HA -0.169 4.171 4.340 0.001 0.000 0.305 303 R C 0.148 176.422 176.300 -0.043 0.000 1.184 303 R CA 1.305 57.329 56.100 -0.127 0.000 0.823 303 R CB -1.926 28.321 30.300 -0.088 0.000 1.285 303 R HN 0.422 nan 8.270 nan 0.000 0.499 304 A N -0.370 122.429 122.820 -0.035 0.000 2.566 304 A HA 0.803 5.124 4.320 0.001 0.000 0.292 304 A C -0.769 176.829 177.584 0.023 0.000 1.112 304 A CA -0.542 51.511 52.037 0.027 0.000 0.707 304 A CB 2.236 21.266 19.000 0.050 0.000 1.302 304 A HN 0.012 nan 8.150 nan 0.000 0.409 305 V N 0.976 120.942 119.914 0.086 0.000 2.569 305 V HA 0.612 4.732 4.120 0.001 0.000 0.301 305 V C -0.489 175.689 176.094 0.141 0.000 1.044 305 V CA -0.342 62.006 62.300 0.080 0.000 0.874 305 V CB 1.889 33.732 31.823 0.034 0.000 1.002 305 V HN 0.937 nan 8.190 nan 0.000 0.424 306 T N 6.989 121.584 114.554 0.068 0.000 2.792 306 T HA 0.851 5.201 4.350 0.001 0.000 0.280 306 T C -0.633 174.011 174.700 -0.094 0.000 0.990 306 T CA -0.404 61.705 62.100 0.014 0.000 0.960 306 T CB 1.149 70.043 68.868 0.042 0.000 0.939 306 T HN 0.767 nan 8.240 nan 0.000 0.439 307 L N -0.739 120.325 121.223 -0.266 0.000 2.653 307 L HA 0.785 5.125 4.340 0.001 0.000 0.257 307 L C 0.372 176.861 176.870 -0.636 0.000 0.969 307 L CA -1.009 53.616 54.840 -0.358 0.000 0.869 307 L CB 1.100 43.005 42.059 -0.256 0.000 1.439 307 L HN 0.740 nan 8.230 nan 0.000 0.414 308 G N 0.724 109.217 108.800 -0.512 0.000 2.283 308 G HA2 -0.315 3.646 3.960 0.001 0.000 0.280 308 G HA3 -0.315 3.646 3.960 0.001 0.000 0.280 308 G C 0.106 174.875 174.900 -0.218 0.000 1.029 308 G CA 1.030 45.904 45.100 -0.376 0.000 0.840 308 G HN 1.534 nan 8.290 nan 0.000 0.505 309 Y N -2.767 117.440 120.300 -0.154 0.000 4.798 309 Y HA -0.235 4.316 4.550 0.001 0.000 0.237 309 Y C 1.121 177.024 175.900 0.004 0.000 1.017 309 Y CA 1.581 59.651 58.100 -0.050 0.000 2.010 309 Y CB -2.672 35.794 38.460 0.011 0.000 1.582 309 Y HN 1.139 nan 8.280 nan 0.000 0.621 310 H N -2.572 116.524 119.070 0.043 0.000 2.894 310 H HA 0.870 5.427 4.556 0.001 0.000 0.368 310 H C -0.714 174.595 175.328 -0.031 0.000 1.181 310 H CA -0.507 55.534 56.048 -0.012 0.000 1.146 310 H CB 2.300 32.015 29.762 -0.078 0.000 1.839 310 H HN -0.034 nan 8.280 nan 0.000 0.557 311 T N 1.574 116.185 114.554 0.095 0.000 2.861 311 T HA 0.302 4.653 4.350 0.001 0.000 0.287 311 T C -1.042 173.668 174.700 0.017 0.000 1.003 311 T CA -0.572 61.574 62.100 0.076 0.000 0.977 311 T CB 0.840 69.752 68.868 0.074 0.000 0.996 311 T HN 0.402 nan 8.240 nan 0.000 0.448 312 Y N 1.701 122.054 120.300 0.088 0.000 2.353 312 Y HA 0.573 5.123 4.550 0.001 0.000 0.340 312 Y C 0.687 176.611 175.900 0.040 0.000 0.972 312 Y CA -0.757 57.382 58.100 0.064 0.000 1.157 312 Y CB 0.854 39.346 38.460 0.053 0.000 1.157 312 Y HN 0.813 nan 8.280 nan 0.000 0.495 313 A N 2.039 124.951 122.820 0.154 0.000 2.271 313 A HA 0.384 4.704 4.320 0.001 0.000 0.288 313 A C 0.195 177.841 177.584 0.104 0.000 1.094 313 A CA -0.496 51.606 52.037 0.108 0.000 0.828 313 A CB 0.104 19.149 19.000 0.075 0.000 1.091 313 A HN 0.900 nan 8.150 nan 0.000 0.493 314 D N -0.643 119.807 120.400 0.083 0.000 2.689 314 D HA -0.132 4.509 4.640 0.001 0.000 0.237 314 D C -0.654 175.678 176.300 0.053 0.000 1.148 314 D CA 0.892 54.939 54.000 0.078 0.000 0.656 314 D CB -0.978 39.875 40.800 0.088 0.000 1.050 314 D HN 0.309 nan 8.370 nan 0.000 0.426 315 I N 0.710 121.295 120.570 0.026 0.000 2.437 315 I HA 0.227 4.398 4.170 0.001 0.000 0.279 315 I C -2.173 173.901 176.117 -0.071 0.000 1.028 315 I CA -1.978 59.315 61.300 -0.012 0.000 1.142 315 I CB 1.331 39.328 38.000 -0.005 0.000 1.266 315 I HN -0.318 nan 8.210 nan 0.000 0.461 316 P HA 0.071 nan 4.420 nan 0.000 0.268 316 P C 0.995 178.165 177.300 -0.217 0.000 1.205 316 P CA -0.345 62.616 63.100 -0.231 0.000 0.771 316 P CB 1.153 32.706 31.700 -0.246 0.000 0.858 317 L N 4.192 125.238 121.223 -0.294 0.000 2.012 317 L HA -0.206 4.135 4.340 0.001 0.000 0.210 317 L C 2.177 178.960 176.870 -0.145 0.000 1.073 317 L CA 2.411 57.147 54.840 -0.172 0.000 0.748 317 L CB -1.531 40.445 42.059 -0.138 0.000 0.891 317 L HN 0.444 nan 8.230 nan 0.000 0.431 318 A N -0.671 122.016 122.820 -0.221 0.000 1.908 318 A HA -0.125 4.196 4.320 0.001 0.000 0.218 318 A C 2.353 179.881 177.584 -0.093 0.000 1.181 318 A CA 1.699 53.657 52.037 -0.131 0.000 0.627 318 A CB -1.596 17.315 19.000 -0.147 0.000 0.818 318 A HN 0.536 nan 8.150 nan 0.000 0.445 319 G N -0.303 108.431 108.800 -0.110 0.000 2.418 319 G HA2 -0.136 3.824 3.960 0.001 0.000 0.217 319 G HA3 -0.136 3.824 3.960 0.001 0.000 0.217 319 G C 1.492 176.361 174.900 -0.052 0.000 1.158 319 G CA 1.223 46.280 45.100 -0.072 0.000 0.771 319 G HN 0.539 nan 8.290 nan 0.000 0.545 320 L N 0.782 121.974 121.223 -0.051 0.000 2.056 320 L HA 0.046 4.386 4.340 0.001 0.000 0.207 320 L C 2.852 179.726 176.870 0.008 0.000 1.078 320 L CA 1.402 56.229 54.840 -0.022 0.000 0.749 320 L CB -0.513 41.548 42.059 0.004 0.000 0.901 320 L HN 0.066 nan 8.230 nan 0.000 0.433 321 V N 0.034 119.949 119.914 0.000 0.000 2.343 321 V HA -0.273 3.848 4.120 0.001 0.000 0.247 321 V C 2.302 178.395 176.094 -0.001 0.000 1.051 321 V CA 1.971 64.275 62.300 0.006 0.000 1.036 321 V CB -0.814 31.000 31.823 -0.016 0.000 0.654 321 V HN 0.454 nan 8.190 nan 0.000 0.451 322 D N 0.426 120.817 120.400 -0.014 0.000 2.117 322 D HA -0.125 4.515 4.640 0.001 0.000 0.197 322 D C 2.227 178.521 176.300 -0.010 0.000 0.987 322 D CA 1.665 55.657 54.000 -0.013 0.000 0.829 322 D CB -0.329 40.460 40.800 -0.019 0.000 0.961 322 D HN 0.438 nan 8.370 nan 0.000 0.460 323 A N 0.510 123.322 122.820 -0.014 0.000 1.933 323 A HA -0.112 4.209 4.320 0.001 0.000 0.218 323 A C 2.393 179.972 177.584 -0.007 0.000 1.175 323 A CA 0.870 52.898 52.037 -0.016 0.000 0.628 323 A CB -0.661 18.321 19.000 -0.030 0.000 0.814 323 A HN 0.203 nan 8.150 nan 0.000 0.444 324 L N -0.830 120.397 121.223 0.006 0.000 2.072 324 L HA -0.118 4.222 4.340 0.001 0.000 0.205 324 L C 2.508 179.387 176.870 0.016 0.000 1.079 324 L CA 0.879 55.732 54.840 0.020 0.000 0.752 324 L CB -0.501 41.594 42.059 0.060 0.000 0.906 324 L HN 0.351 nan 8.230 nan 0.000 0.436 325 L N -0.361 120.869 121.223 0.012 0.000 2.127 325 L HA -0.223 4.118 4.340 0.001 0.000 0.211 325 L C 2.385 179.258 176.870 0.004 0.000 1.089 325 L CA 1.270 56.115 54.840 0.008 0.000 0.757 325 L CB -0.445 41.616 42.059 0.003 0.000 0.899 325 L HN 0.306 nan 8.230 nan 0.000 0.434 326 E N -0.204 119.997 120.200 0.001 0.000 2.268 326 E HA -0.160 4.191 4.350 0.001 0.000 0.195 326 E C 1.930 178.530 176.600 -0.000 0.000 0.995 326 E CA 0.618 57.018 56.400 -0.001 0.000 0.836 326 E CB 0.112 29.809 29.700 -0.004 0.000 0.763 326 E HN 0.413 nan 8.360 nan 0.000 0.491 327 R N -0.146 120.354 120.500 0.001 0.000 2.334 327 R HA 0.219 4.559 4.340 0.001 0.000 0.216 327 R C -0.086 176.216 176.300 0.004 0.000 0.905 327 R CA 0.036 56.136 56.100 0.001 0.000 1.064 327 R CB 0.465 30.764 30.300 -0.002 0.000 1.046 327 R HN 0.001 nan 8.270 nan 0.000 0.508 328 L N 2.388 123.615 121.223 0.006 0.000 2.356 328 L HA 0.461 4.801 4.340 0.001 0.000 0.277 328 L C -2.263 174.611 176.870 0.006 0.000 0.996 328 L CA -2.334 52.511 54.840 0.008 0.000 0.822 328 L CB 2.096 44.163 42.059 0.013 0.000 1.256 328 L HN -0.162 nan 8.230 nan 0.000 0.413 329 P HA 0.295 nan 4.420 nan 0.000 0.278 329 P C -2.670 174.633 177.300 0.005 0.000 1.238 329 P CA -1.609 61.493 63.100 0.005 0.000 0.794 329 P CB 0.240 31.943 31.700 0.004 0.000 0.955 330 P HA 0.077 nan 4.420 nan 0.000 0.267 330 P C 0.128 177.431 177.300 0.005 0.000 1.200 330 P CA 0.492 63.594 63.100 0.004 0.000 0.772 330 P CB 0.368 32.069 31.700 0.003 0.000 0.855 340 P HA 0.327 nan 4.420 nan 0.000 0.269 340 P C -0.178 177.137 177.300 0.026 0.000 1.209 340 P CA -0.212 62.903 63.100 0.024 0.000 0.776 340 P CB 0.417 32.128 31.700 0.019 0.000 0.876 341 H N 1.851 120.864 119.070 -0.096 0.000 2.975 341 H HA 0.393 4.949 4.556 0.001 0.000 0.303 341 H C -0.101 175.101 175.328 -0.210 0.000 1.023 341 H CA -0.393 55.578 56.048 -0.128 0.000 1.473 341 H CB -0.095 29.582 29.762 -0.141 0.000 1.498 341 H HN 0.461 nan 8.280 nan 0.000 0.549 342 A N 5.116 127.675 122.820 -0.435 0.000 2.445 342 A HA 0.222 4.543 4.320 0.001 0.000 0.242 342 A C -0.791 176.460 177.584 -0.555 0.000 1.075 342 A CA -0.228 51.591 52.037 -0.363 0.000 0.777 342 A CB -0.144 18.763 19.000 -0.155 0.000 1.013 342 A HN 0.792 nan 8.150 nan 0.000 0.493 343 Y N 2.059 122.226 120.300 -0.222 0.000 2.308 343 Y HA 0.370 4.920 4.550 0.001 0.000 0.329 343 Y C -1.513 174.320 175.900 -0.112 0.000 1.111 343 Y CA -1.853 56.147 58.100 -0.166 0.000 1.179 343 Y CB 0.755 39.159 38.460 -0.094 0.000 1.201 343 Y HN 0.507 nan 8.280 nan 0.000 0.483 344 P HA 0.093 nan 4.420 nan 0.000 0.271 344 P C -0.437 176.895 177.300 0.052 0.000 1.220 344 P CA -0.005 63.122 63.100 0.046 0.000 0.768 344 P CB 1.188 32.918 31.700 0.050 0.000 0.848 345 T N -2.498 112.073 114.554 0.028 0.000 2.654 345 T HA 0.641 4.991 4.350 0.001 0.000 0.289 345 T C 0.415 175.118 174.700 0.005 0.000 1.062 345 T CA -0.285 61.823 62.100 0.013 0.000 1.041 345 T CB 0.920 69.792 68.868 0.007 0.000 1.417 345 T HN 0.583 nan 8.240 nan 0.000 0.510 346 G N 0.512 109.310 108.800 -0.003 0.000 2.341 346 G HA2 -0.076 3.885 3.960 0.001 0.000 0.278 346 G HA3 -0.076 3.885 3.960 0.001 0.000 0.278 346 G C -0.240 174.658 174.900 -0.004 0.000 1.111 346 G CA -0.070 45.028 45.100 -0.005 0.000 0.982 346 G HN 1.244 nan 8.290 nan 0.000 0.502 347 L N -0.062 121.156 121.223 -0.007 0.000 2.499 347 L HA 0.420 4.761 4.340 0.001 0.000 0.273 347 L C 0.736 177.601 176.870 -0.009 0.000 1.195 347 L CA 0.487 55.322 54.840 -0.008 0.000 0.882 347 L CB 0.531 42.583 42.059 -0.011 0.000 1.133 347 L HN 0.411 nan 8.230 nan 0.000 0.483 348 Q N 5.239 125.034 119.800 -0.008 0.000 2.441 348 Q HA 0.385 4.725 4.340 0.001 0.000 0.234 348 Q C 0.079 176.074 176.000 -0.009 0.000 1.078 348 Q CA -0.214 55.584 55.803 -0.008 0.000 0.907 348 Q CB 0.946 29.681 28.738 -0.006 0.000 1.269 348 Q HN 0.859 nan 8.270 nan 0.000 0.502 349 A N 3.930 126.744 122.820 -0.009 0.000 3.030 349 A HA 0.092 4.412 4.320 0.001 0.000 0.273 349 A C -0.300 177.279 177.584 -0.007 0.000 1.841 349 A CA -0.126 51.906 52.037 -0.009 0.000 1.479 349 A CB -0.635 18.360 19.000 -0.008 0.000 1.048 349 A HN 0.695 nan 8.150 nan 0.000 0.612 350 D N -0.614 119.781 120.400 -0.008 0.000 2.784 350 D HA 0.492 5.132 4.640 0.001 0.000 0.256 350 D C 0.995 177.290 176.300 -0.007 0.000 1.129 350 D CA 0.107 54.103 54.000 -0.007 0.000 1.102 350 D CB 0.132 40.928 40.800 -0.006 0.000 1.330 350 D HN -0.002 nan 8.370 nan 0.000 0.626 351 G N -1.137 107.659 108.800 -0.006 0.000 3.181 351 G HA2 0.058 4.019 3.960 0.001 0.000 0.219 351 G HA3 0.058 4.019 3.960 0.001 0.000 0.219 351 G C 0.168 175.064 174.900 -0.007 0.000 1.182 351 G CA -0.175 44.921 45.100 -0.006 0.000 0.791 351 G HN 0.214 nan 8.290 nan 0.000 0.537 352 E N 1.220 121.415 120.200 -0.008 0.000 2.374 352 E HA 0.212 4.562 4.350 0.001 0.000 0.260 352 E C -2.111 174.482 176.600 -0.013 0.000 1.101 352 E CA -1.776 54.619 56.400 -0.009 0.000 0.907 352 E CB 1.023 30.718 29.700 -0.009 0.000 1.014 352 E HN 0.105 nan 8.360 nan 0.000 0.427 353 P HA 0.186 nan 4.420 nan 0.000 0.274 353 P C -0.068 177.216 177.300 -0.026 0.000 1.256 353 P CA -0.146 62.944 63.100 -0.017 0.000 0.795 353 P CB 0.632 32.324 31.700 -0.013 0.000 1.038 354 I N 0.389 120.936 120.570 -0.038 0.000 2.371 354 I HA 0.383 4.554 4.170 0.001 0.000 0.290 354 I C 0.794 176.872 176.117 -0.065 0.000 1.028 354 I CA -0.381 60.882 61.300 -0.061 0.000 1.345 354 I CB 0.877 38.822 38.000 -0.091 0.000 1.407 354 I HN 0.344 nan 8.210 nan 0.000 0.501 355 A N 7.737 130.521 122.820 -0.060 0.000 2.330 355 A HA 0.678 4.999 4.320 0.001 0.000 0.329 355 A C -2.047 175.496 177.584 -0.068 0.000 1.135 355 A CA -1.721 50.290 52.037 -0.043 0.000 0.817 355 A CB 0.961 19.952 19.000 -0.015 0.000 1.269 355 A HN 0.476 nan 8.150 nan 0.000 0.469 356 P HA -0.213 nan 4.420 nan 0.000 0.216 356 P C 1.554 178.868 177.300 0.024 0.000 1.157 356 P CA 1.731 64.833 63.100 0.003 0.000 0.880 356 P CB -0.013 31.786 31.700 0.164 0.000 0.791 357 M N -0.446 119.179 119.600 0.042 0.000 2.202 357 M HA -0.152 4.329 4.480 0.001 0.000 0.262 357 M C 1.206 177.517 176.300 0.019 0.000 1.063 357 M CA 1.700 57.029 55.300 0.048 0.000 1.097 357 M CB -1.312 31.316 32.600 0.046 0.000 1.382 357 M HN -0.168 nan 8.290 nan 0.000 0.413 358 D N -0.289 120.102 120.400 -0.014 0.000 2.178 358 D HA -0.120 4.520 4.640 0.001 0.000 0.201 358 D C 2.050 178.328 176.300 -0.037 0.000 0.980 358 D CA 1.446 55.430 54.000 -0.027 0.000 0.842 358 D CB -0.195 40.579 40.800 -0.043 0.000 0.948 358 D HN 0.443 nan 8.370 nan 0.000 0.472 359 I N 1.213 121.740 120.570 -0.071 0.000 2.252 359 I HA -0.209 3.961 4.170 0.001 0.000 0.245 359 I C 2.561 178.689 176.117 0.018 0.000 1.102 359 I CA 0.793 62.049 61.300 -0.073 0.000 1.385 359 I CB -0.154 37.710 38.000 -0.227 0.000 1.064 359 I HN -0.096 nan 8.210 nan 0.000 0.414 360 A N 0.956 123.807 122.820 0.053 0.000 1.902 360 A HA -0.184 4.136 4.320 0.001 0.000 0.217 360 A C 2.391 180.003 177.584 0.047 0.000 1.181 360 A CA 1.376 53.460 52.037 0.079 0.000 0.623 360 A CB -0.516 18.547 19.000 0.105 0.000 0.818 360 A HN 0.303 nan 8.150 nan 0.000 0.443 361 R N -0.468 120.050 120.500 0.030 0.000 2.081 361 R HA -0.075 4.266 4.340 0.001 0.000 0.235 361 R C 2.505 178.804 176.300 -0.001 0.000 1.131 361 R CA 1.194 57.303 56.100 0.015 0.000 0.960 361 R CB -0.507 29.799 30.300 0.009 0.000 0.856 361 R HN 0.506 nan 8.270 nan 0.000 0.436 362 A N 0.756 123.576 122.820 -0.001 0.000 1.883 362 A HA -0.139 4.182 4.320 0.001 0.000 0.217 362 A C 2.379 179.960 177.584 -0.006 0.000 1.186 362 A CA 1.562 53.596 52.037 -0.004 0.000 0.624 362 A CB -0.613 18.388 19.000 0.002 0.000 0.822 362 A HN 0.126 nan 8.150 nan 0.000 0.444 363 V N 0.900 120.823 119.914 0.015 0.000 2.307 363 V HA -0.235 3.885 4.120 0.001 0.000 0.245 363 V C 2.272 178.336 176.094 -0.050 0.000 1.045 363 V CA 2.129 64.437 62.300 0.014 0.000 1.024 363 V CB -0.940 30.919 31.823 0.061 0.000 0.651 363 V HN 0.564 nan 8.190 nan 0.000 0.449 364 N N 0.229 118.901 118.700 -0.048 0.000 2.188 364 N HA -0.146 4.594 4.740 0.001 0.000 0.184 364 N C 1.533 176.984 175.510 -0.098 0.000 1.018 364 N CA 1.442 54.435 53.050 -0.096 0.000 0.858 364 N CB -0.519 37.928 38.487 -0.067 0.000 0.989 364 N HN 0.440 nan 8.380 nan 0.000 0.426 365 D N 0.808 121.167 120.400 -0.068 0.000 2.149 365 D HA -0.102 4.538 4.640 0.001 0.000 0.198 365 D C 1.991 178.233 176.300 -0.098 0.000 0.990 365 D CA 0.775 54.734 54.000 -0.068 0.000 0.839 365 D CB -0.080 40.691 40.800 -0.048 0.000 0.948 365 D HN 0.274 nan 8.370 nan 0.000 0.460 366 R N 0.155 120.577 120.500 -0.130 0.000 2.075 366 R HA -0.056 4.284 4.340 0.001 0.000 0.232 366 R C 2.375 178.554 176.300 -0.202 0.000 1.126 366 R CA 0.597 56.580 56.100 -0.195 0.000 0.963 366 R CB -0.316 29.793 30.300 -0.319 0.000 0.858 366 R HN 0.092 nan 8.270 nan 0.000 0.435 367 V N 1.082 120.882 119.914 -0.190 0.000 2.343 367 V HA -0.230 3.890 4.120 0.001 0.000 0.247 367 V C 2.338 178.351 176.094 -0.136 0.000 1.051 367 V CA 1.585 63.782 62.300 -0.171 0.000 1.036 367 V CB -0.429 31.288 31.823 -0.177 0.000 0.654 367 V HN 0.261 nan 8.190 nan 0.000 0.451 368 R N 0.224 120.650 120.500 -0.122 0.000 2.189 368 R HA 0.011 4.352 4.340 0.001 0.000 0.223 368 R C 2.088 178.342 176.300 -0.077 0.000 1.092 368 R CA 1.295 57.340 56.100 -0.091 0.000 0.989 368 R CB -0.818 29.437 30.300 -0.074 0.000 0.876 368 R HN 0.538 nan 8.270 nan 0.000 0.457 369 A N -0.575 122.192 122.820 -0.088 0.000 2.208 369 A HA 0.263 4.583 4.320 0.001 0.000 0.209 369 A C 1.390 178.928 177.584 -0.077 0.000 1.161 369 A CA 1.118 53.109 52.037 -0.076 0.000 0.782 369 A CB 0.200 19.151 19.000 -0.081 0.000 0.816 369 A HN 0.408 nan 8.150 nan 0.000 0.477 370 G N -1.822 106.926 108.800 -0.088 0.000 2.485 370 G HA2 -0.145 3.816 3.960 0.001 0.000 0.181 370 G HA3 -0.145 3.816 3.960 0.001 0.000 0.181 370 G C 0.202 175.047 174.900 -0.090 0.000 0.999 370 G CA 0.101 45.155 45.100 -0.076 0.000 0.721 370 G HN 0.531 nan 8.290 nan 0.000 0.486 371 Q N 1.678 121.397 119.800 -0.136 0.000 2.296 371 Q HA 0.518 4.858 4.340 0.001 0.000 0.262 371 Q C 0.348 176.277 176.000 -0.118 0.000 0.981 371 Q CA 0.646 56.352 55.803 -0.162 0.000 0.905 371 Q CB 0.506 29.048 28.738 -0.325 0.000 1.186 371 Q HN 0.626 nan 8.270 nan 0.000 0.399 372 E N 4.790 124.952 120.200 -0.064 0.000 2.415 372 E HA 0.193 4.543 4.350 0.001 0.000 0.263 372 E C -2.543 174.041 176.600 -0.025 0.000 0.995 372 E CA -1.456 54.924 56.400 -0.035 0.000 0.915 372 E CB -0.452 29.247 29.700 -0.001 0.000 0.951 372 E HN 0.498 nan 8.360 nan 0.000 0.449 373 P HA 0.181 nan 4.420 nan 0.000 0.268 373 P C -0.396 176.932 177.300 0.046 0.000 1.208 373 P CA -0.260 62.830 63.100 -0.016 0.000 0.777 373 P CB 0.489 32.160 31.700 -0.049 0.000 0.875 374 L N 1.387 122.665 121.223 0.092 0.000 2.334 374 L HA 0.466 4.806 4.340 0.001 0.000 0.270 374 L C 0.552 177.471 176.870 0.082 0.000 1.018 374 L CA -1.314 53.595 54.840 0.115 0.000 0.811 374 L CB 1.137 43.296 42.059 0.167 0.000 1.271 374 L HN 0.294 nan 8.230 nan 0.000 0.443 375 L N 2.169 123.447 121.223 0.092 0.000 2.456 375 L HA 0.319 4.660 4.340 0.001 0.000 0.272 375 L C -0.545 176.366 176.870 0.069 0.000 1.189 375 L CA 0.319 55.210 54.840 0.086 0.000 0.846 375 L CB 0.466 42.620 42.059 0.159 0.000 1.111 375 L HN 0.356 nan 8.230 nan 0.000 0.475 376 I N 4.988 125.586 120.570 0.046 0.000 2.377 376 I HA 0.491 4.662 4.170 0.001 0.000 0.293 376 I C -0.076 176.055 176.117 0.023 0.000 0.987 376 I CA -0.601 60.717 61.300 0.029 0.000 1.185 376 I CB 1.672 39.681 38.000 0.015 0.000 1.341 376 I HN 0.740 nan 8.210 nan 0.000 0.455 377 A N 5.440 128.264 122.820 0.006 0.000 2.287 377 A HA 0.869 5.189 4.320 0.001 0.000 0.317 377 A C -0.449 177.129 177.584 -0.010 0.000 1.220 377 A CA -0.413 51.630 52.037 0.010 0.000 0.835 377 A CB 0.996 19.960 19.000 -0.060 0.000 1.180 377 A HN 0.798 nan 8.150 nan 0.000 0.500 378 A N 2.285 125.117 122.820 0.020 0.000 2.401 378 A HA 0.708 5.028 4.320 0.001 0.000 0.310 378 A C -0.444 177.129 177.584 -0.018 0.000 1.075 378 A CA -0.574 51.431 52.037 -0.054 0.000 0.746 378 A CB 1.018 19.944 19.000 -0.124 0.000 1.277 378 A HN 0.782 nan 8.150 nan 0.000 0.425 379 D N 0.375 120.722 120.400 -0.088 0.000 2.506 379 D HA 0.433 5.074 4.640 0.001 0.000 0.272 379 D C -0.413 175.816 176.300 -0.117 0.000 1.214 379 D CA -0.252 53.697 54.000 -0.085 0.000 1.067 379 D CB 1.048 41.775 40.800 -0.120 0.000 1.117 379 D HN 0.449 nan 8.370 nan 0.000 0.578 380 M N 0.247 119.788 119.600 -0.097 0.000 2.233 380 M HA 0.462 4.943 4.480 0.001 0.000 0.355 380 M C -0.180 176.111 176.300 -0.014 0.000 1.191 380 M CA 0.165 55.430 55.300 -0.059 0.000 1.101 380 M CB 0.451 33.018 32.600 -0.054 0.000 1.592 380 M HN 0.460 nan 8.290 nan 0.000 0.461 381 G N 3.551 112.389 108.800 0.064 0.000 2.350 381 G HA2 0.008 3.969 3.960 0.001 0.000 0.282 381 G HA3 0.008 3.969 3.960 0.001 0.000 0.282 381 G C -0.554 174.443 174.900 0.161 0.000 1.314 381 G CA -0.190 44.962 45.100 0.087 0.000 0.915 381 G HN 0.554 nan 8.290 nan 0.000 0.499 382 D N -0.401 120.062 120.400 0.104 0.000 2.310 382 D HA -0.087 4.553 4.640 0.001 0.000 0.212 382 D C 2.584 178.906 176.300 0.035 0.000 0.965 382 D CA 2.011 56.103 54.000 0.154 0.000 0.879 382 D CB -0.435 40.455 40.800 0.151 0.000 0.921 382 D HN 0.711 nan 8.370 nan 0.000 0.510 383 C N -0.607 118.501 119.300 -0.320 0.000 2.413 383 C HA -0.066 4.395 4.460 0.001 0.000 0.277 383 C C 2.523 177.325 174.990 -0.313 0.000 1.265 383 C CA 0.192 58.730 59.018 -0.800 0.000 1.752 383 C CB -1.458 25.702 27.740 -0.968 0.000 1.998 383 C HN 0.305 nan 8.230 nan 0.000 0.489 384 L N 0.439 121.563 121.223 -0.165 0.000 2.044 384 L HA 0.185 4.526 4.340 0.001 0.000 0.205 384 L C 2.330 179.071 176.870 -0.216 0.000 1.075 384 L CA 1.733 56.441 54.840 -0.219 0.000 0.747 384 L CB -1.156 40.730 42.059 -0.288 0.000 0.903 384 L HN 0.293 nan 8.230 nan 0.000 0.435 385 F N -0.427 119.502 119.950 -0.035 0.000 2.269 385 F HA -0.172 4.355 4.527 0.001 0.000 0.301 385 F C 2.306 178.126 175.800 0.034 0.000 1.082 385 F CA 1.626 59.641 58.000 0.024 0.000 1.360 385 F CB -1.031 37.978 39.000 0.015 0.000 1.041 385 F HN 0.064 nan 8.300 nan 0.000 0.512 386 T N -0.440 114.237 114.554 0.205 0.000 2.812 386 T HA -0.085 4.265 4.350 0.001 0.000 0.264 386 T C 2.305 177.084 174.700 0.132 0.000 1.042 386 T CA 1.086 63.312 62.100 0.209 0.000 1.140 386 T CB -0.542 68.545 68.868 0.365 0.000 0.870 386 T HN 0.281 nan 8.240 nan 0.000 0.445 387 A N 1.909 124.759 122.820 0.049 0.000 2.076 387 A HA -0.067 4.253 4.320 0.001 0.000 0.220 387 A C 2.189 179.767 177.584 -0.010 0.000 1.160 387 A CA 1.096 53.139 52.037 0.010 0.000 0.653 387 A CB -0.648 18.311 19.000 -0.068 0.000 0.801 387 A HN 0.309 nan 8.150 nan 0.000 0.455 388 M N -0.140 119.433 119.600 -0.045 0.000 2.358 388 M HA -0.095 4.385 4.480 0.001 0.000 0.264 388 M C 0.418 176.749 176.300 0.052 0.000 1.064 388 M CA 1.136 56.404 55.300 -0.053 0.000 1.093 388 M CB -0.908 31.658 32.600 -0.057 0.000 1.401 388 M HN 0.303 nan 8.290 nan 0.000 0.440 389 D N -0.225 120.236 120.400 0.103 0.000 2.388 389 D HA 0.247 4.887 4.640 0.001 0.000 0.221 389 D C 0.135 176.580 176.300 0.242 0.000 1.133 389 D CA 0.138 54.230 54.000 0.152 0.000 0.831 389 D CB 0.493 41.373 40.800 0.133 0.000 0.962 389 D HN 0.305 nan 8.370 nan 0.000 0.502 390 M N 0.562 120.285 119.600 0.204 0.000 2.423 390 M HA 0.374 4.855 4.480 0.001 0.000 0.335 390 M C 0.140 176.503 176.300 0.104 0.000 1.177 390 M CA -0.692 54.694 55.300 0.144 0.000 1.038 390 M CB 2.596 35.246 32.600 0.085 0.000 1.641 390 M HN -0.290 nan 8.290 nan 0.000 0.455 391 I N 2.280 122.745 120.570 -0.176 0.000 2.441 391 I HA 0.118 4.289 4.170 0.001 0.000 0.287 391 I C -0.435 175.601 176.117 -0.135 0.000 1.049 391 I CA 0.042 61.101 61.300 -0.402 0.000 1.381 391 I CB 0.484 38.122 38.000 -0.603 0.000 1.409 391 I HN 0.709 nan 8.210 nan 0.000 0.523 392 D N 4.547 124.904 120.400 -0.071 0.000 2.559 392 D HA 0.634 5.274 4.640 0.001 0.000 0.250 392 D C -0.670 175.620 176.300 -0.018 0.000 1.135 392 D CA -0.852 53.135 54.000 -0.020 0.000 0.955 392 D CB 1.745 42.548 40.800 0.005 0.000 1.442 392 D HN 0.427 nan 8.370 nan 0.000 0.471 393 A N 0.423 123.243 122.820 -0.001 0.000 3.041 393 A HA 0.754 5.074 4.320 0.001 0.000 0.307 393 A C 0.675 178.251 177.584 -0.013 0.000 1.116 393 A CA 0.157 52.191 52.037 -0.006 0.000 1.001 393 A CB -0.991 18.015 19.000 0.011 0.000 1.112 393 A HN 1.450 nan 8.150 nan 0.000 0.556 394 G N -0.637 108.153 108.800 -0.016 0.000 2.587 394 G HA2 0.294 4.254 3.960 0.001 0.000 0.686 394 G HA3 0.294 4.254 3.960 0.001 0.000 0.686 394 G C -1.171 173.725 174.900 -0.008 0.000 1.236 394 G CA -0.275 44.808 45.100 -0.027 0.000 0.820 394 G HN 1.512 nan 8.290 nan 0.000 0.645 395 L N 1.429 122.641 121.223 -0.018 0.000 2.513 395 L HA 0.901 5.241 4.340 0.001 0.000 0.261 395 L C -0.162 176.702 176.870 -0.011 0.000 0.945 395 L CA -1.177 53.653 54.840 -0.017 0.000 0.848 395 L CB 1.965 43.990 42.059 -0.056 0.000 1.334 395 L HN 1.081 nan 8.230 nan 0.000 0.407 396 M N 4.039 123.662 119.600 0.039 0.000 2.326 396 M HA 0.981 5.461 4.480 0.001 0.000 0.306 396 M C -1.038 175.326 176.300 0.108 0.000 1.054 396 M CA -0.467 54.893 55.300 0.099 0.000 0.922 396 M CB 1.970 34.709 32.600 0.232 0.000 1.632 396 M HN 0.636 nan 8.290 nan 0.000 0.436 397 A N 2.961 125.697 122.820 -0.140 0.000 2.612 397 A HA 0.873 5.193 4.320 0.001 0.000 0.293 397 A C -2.912 174.268 177.584 -0.674 0.000 1.075 397 A CA -1.067 50.744 52.037 -0.376 0.000 0.680 397 A CB 1.560 20.391 19.000 -0.282 0.000 1.279 397 A HN 0.677 nan 8.150 nan 0.000 0.411 398 P HA 0.169 nan 4.420 nan 0.000 0.214 398 P C 0.857 178.035 177.300 -0.204 0.000 1.826 398 P CA 0.393 63.167 63.100 -0.543 0.000 0.977 398 P CB -0.114 31.282 31.700 -0.507 0.000 1.930 399 G N -0.114 108.600 108.800 -0.143 0.000 2.708 399 G HA2 -0.240 3.720 3.960 0.001 0.000 0.210 399 G HA3 -0.240 3.720 3.960 0.001 0.000 0.210 399 G C 0.809 175.845 174.900 0.225 0.000 1.141 399 G CA 0.424 45.559 45.100 0.058 0.000 0.788 399 G HN 0.338 nan 8.290 nan 0.000 0.531 400 Y N -1.439 118.882 120.300 0.034 0.000 2.817 400 Y HA 0.242 4.793 4.550 0.001 0.000 0.257 400 Y C 2.048 178.002 175.900 0.089 0.000 1.055 400 Y CA -0.300 57.843 58.100 0.072 0.000 1.319 400 Y CB -0.522 37.992 38.460 0.091 0.000 1.481 400 Y HN 0.042 nan 8.280 nan 0.000 0.471 401 Y N 1.940 122.003 120.300 -0.395 0.000 2.224 401 Y HA 0.098 4.648 4.550 0.001 0.000 0.289 401 Y C 1.841 177.605 175.900 -0.226 0.000 1.146 401 Y CA 2.233 60.069 58.100 -0.441 0.000 1.182 401 Y CB -0.629 37.673 38.460 -0.263 0.000 0.983 401 Y HN 0.372 nan 8.280 nan 0.000 0.524 402 A N -0.459 122.278 122.820 -0.139 0.000 2.860 402 A HA -0.173 4.148 4.320 0.001 0.000 0.267 402 A C 0.896 178.367 177.584 -0.189 0.000 1.421 402 A CA 0.691 52.634 52.037 -0.158 0.000 0.831 402 A CB -2.270 16.642 19.000 -0.147 0.000 1.041 402 A HN 0.896 nan 8.150 nan 0.000 0.623 403 G N -0.717 108.033 108.800 -0.084 0.000 2.339 403 G HA2 0.538 4.498 3.960 0.001 0.000 0.287 403 G HA3 0.538 4.498 3.960 0.001 0.000 0.287 403 G C 0.093 175.010 174.900 0.028 0.000 1.163 403 G CA -0.210 44.900 45.100 0.017 0.000 0.872 403 G HN 0.522 nan 8.290 nan 0.000 0.464 404 M N 1.409 121.004 119.600 -0.007 0.000 2.226 404 M HA 0.399 4.879 4.480 0.001 0.000 0.324 404 M C 1.468 177.756 176.300 -0.020 0.000 1.112 404 M CA 1.617 56.897 55.300 -0.034 0.000 1.176 404 M CB 1.123 33.703 32.600 -0.034 0.000 1.430 404 M HN 0.914 nan 8.290 nan 0.000 0.462 405 G N 0.828 109.554 108.800 -0.124 0.000 2.213 405 G HA2 -0.280 3.680 3.960 0.001 0.000 0.226 405 G HA3 -0.280 3.680 3.960 0.001 0.000 0.226 405 G C 0.503 175.034 174.900 -0.616 0.000 0.992 405 G CA 0.333 45.335 45.100 -0.164 0.000 0.632 405 G HN 0.735 nan 8.290 nan 0.000 0.511 406 F N 2.319 121.616 119.950 -1.089 0.000 2.134 406 F HA 0.197 4.724 4.527 0.001 0.000 0.299 406 F C 2.488 177.905 175.800 -0.638 0.000 1.097 406 F CA 2.651 59.845 58.000 -1.342 0.000 1.264 406 F CB -0.498 38.007 39.000 -0.826 0.000 1.001 406 F HN 0.241 nan 8.300 nan 0.000 0.479 407 G N 0.532 109.188 108.800 -0.240 0.000 2.721 407 G HA2 -0.343 3.618 3.960 0.001 0.000 0.218 407 G HA3 -0.343 3.618 3.960 0.001 0.000 0.218 407 G C 1.716 176.437 174.900 -0.299 0.000 1.265 407 G CA 1.932 46.910 45.100 -0.203 0.000 0.796 407 G HN 0.328 nan 8.290 nan 0.000 0.620 408 V N 2.320 122.048 119.914 -0.310 0.000 2.295 408 V HA -0.101 4.020 4.120 0.001 0.000 0.246 408 V C 0.392 176.297 176.094 -0.315 0.000 1.049 408 V CA 2.375 64.489 62.300 -0.310 0.000 1.024 408 V CB -1.070 30.514 31.823 -0.398 0.000 0.648 408 V HN 0.315 nan 8.190 nan 0.000 0.447 409 P HA -0.136 nan 4.420 nan 0.000 0.216 409 P C 1.629 178.699 177.300 -0.383 0.000 1.150 409 P CA 1.935 64.872 63.100 -0.273 0.000 0.837 409 P CB -0.123 31.509 31.700 -0.114 0.000 0.786 410 A N -0.198 122.279 122.820 -0.572 0.000 1.898 410 A HA -0.036 4.284 4.320 0.001 0.000 0.216 410 A C 2.487 179.845 177.584 -0.377 0.000 1.181 410 A CA 1.927 53.569 52.037 -0.657 0.000 0.620 410 A CB -1.866 16.390 19.000 -1.240 0.000 0.819 410 A HN 0.263 nan 8.150 nan 0.000 0.442 411 G N 0.113 108.733 108.800 -0.300 0.000 2.440 411 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 411 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 411 G C 1.533 176.319 174.900 -0.190 0.000 1.154 411 G CA 1.164 46.148 45.100 -0.194 0.000 0.767 411 G HN 0.469 nan 8.290 nan 0.000 0.552 412 I N 1.161 121.603 120.570 -0.213 0.000 2.179 412 I HA -0.094 4.077 4.170 0.001 0.000 0.242 412 I C 3.103 179.114 176.117 -0.175 0.000 1.088 412 I CA 1.093 62.287 61.300 -0.176 0.000 1.357 412 I CB -0.473 37.426 38.000 -0.168 0.000 1.051 412 I HN 0.253 nan 8.210 nan 0.000 0.409 413 G N 0.348 108.978 108.800 -0.283 0.000 2.418 413 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 413 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 413 G C 1.845 176.656 174.900 -0.149 0.000 1.158 413 G CA 0.862 45.760 45.100 -0.336 0.000 0.771 413 G HN 0.496 nan 8.290 nan 0.000 0.545 414 A N 0.259 122.950 122.820 -0.215 0.000 1.858 414 A HA -0.109 4.212 4.320 0.001 0.000 0.216 414 A C 2.290 179.612 177.584 -0.437 0.000 1.190 414 A CA 2.055 53.897 52.037 -0.324 0.000 0.617 414 A CB -0.604 18.285 19.000 -0.185 0.000 0.827 414 A HN 0.434 nan 8.150 nan 0.000 0.443 415 Q N -1.031 118.613 119.800 -0.260 0.000 2.226 415 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 415 Q C 2.015 177.912 176.000 -0.172 0.000 0.975 415 Q CA 1.650 57.328 55.803 -0.208 0.000 0.866 415 Q CB -0.413 28.250 28.738 -0.124 0.000 0.915 415 Q HN 0.713 nan 8.270 nan 0.000 0.440 416 C N -0.594 118.629 119.300 -0.128 0.000 2.419 416 C HA -0.081 4.380 4.460 0.001 0.000 0.281 416 C C 2.108 177.066 174.990 -0.052 0.000 1.336 416 C CA 0.991 59.945 59.018 -0.107 0.000 1.770 416 C CB -0.614 27.093 27.740 -0.055 0.000 1.929 416 C HN 0.613 nan 8.230 nan 0.000 0.509 417 V N -0.954 118.896 119.914 -0.107 0.000 3.319 417 V HA 0.241 4.361 4.120 0.001 0.000 0.317 417 V C 1.342 177.318 176.094 -0.197 0.000 1.411 417 V CA 0.965 63.210 62.300 -0.092 0.000 1.112 417 V CB -0.655 31.159 31.823 -0.016 0.000 1.031 417 V HN 0.438 nan 8.190 nan 0.000 0.448 418 S N 0.288 115.812 115.700 -0.294 0.000 2.671 418 S HA 0.326 4.796 4.470 0.001 0.000 0.220 418 S C 1.630 176.236 174.600 0.009 0.000 0.951 418 S CA 0.529 58.606 58.200 -0.204 0.000 0.932 418 S CB -0.484 62.561 63.200 -0.259 0.000 0.777 418 S HN 1.840 nan 8.310 nan 0.000 0.508 419 G N 0.661 109.463 108.800 0.004 0.000 2.390 419 G HA2 0.049 4.009 3.960 0.001 0.000 0.299 419 G HA3 0.049 4.009 3.960 0.001 0.000 0.299 419 G C 1.062 175.978 174.900 0.027 0.000 1.002 419 G CA 0.420 45.536 45.100 0.028 0.000 0.979 419 G HN 1.841 nan 8.290 nan 0.000 0.513 420 G N -1.453 107.353 108.800 0.010 0.000 2.279 420 G HA2 -0.232 3.728 3.960 0.001 0.000 0.223 420 G HA3 -0.232 3.728 3.960 0.001 0.000 0.223 420 G C 0.497 175.411 174.900 0.024 0.000 1.015 420 G CA 0.551 45.661 45.100 0.016 0.000 0.621 420 G HN 0.986 nan 8.290 nan 0.000 0.506 421 K N 1.341 121.765 120.400 0.040 0.000 2.412 421 K HA 0.383 4.703 4.320 0.001 0.000 0.281 421 K C 0.745 177.366 176.600 0.035 0.000 1.027 421 K CA -0.238 56.085 56.287 0.060 0.000 0.989 421 K CB 0.751 33.318 32.500 0.112 0.000 0.935 421 K HN 0.294 nan 8.250 nan 0.000 0.475 422 R N 2.569 123.092 120.500 0.039 0.000 2.539 422 R HA 0.224 4.564 4.340 0.001 0.000 0.275 422 R C -0.146 176.164 176.300 0.016 0.000 1.077 422 R CA -0.393 55.711 56.100 0.007 0.000 1.097 422 R CB 0.545 30.838 30.300 -0.011 0.000 1.018 422 R HN 0.437 nan 8.270 nan 0.000 0.483 423 I N 4.185 124.744 120.570 -0.019 0.000 2.493 423 I HA 0.259 4.429 4.170 0.001 0.000 0.298 423 I C -0.495 175.604 176.117 -0.030 0.000 0.998 423 I CA -0.971 60.325 61.300 -0.007 0.000 1.137 423 I CB 1.438 39.417 38.000 -0.034 0.000 1.310 423 I HN 0.462 nan 8.210 nan 0.000 0.445 424 L N 5.296 126.519 121.223 0.001 0.000 2.296 424 L HA 0.581 4.921 4.340 0.001 0.000 0.286 424 L C -0.267 176.601 176.870 -0.005 0.000 1.023 424 L CA 0.371 55.210 54.840 -0.002 0.000 0.812 424 L CB 1.494 43.589 42.059 0.061 0.000 1.223 424 L HN 0.603 nan 8.230 nan 0.000 0.421 425 T N 4.879 119.422 114.554 -0.019 0.000 2.807 425 T HA 0.651 5.001 4.350 0.001 0.000 0.279 425 T C -0.812 173.881 174.700 -0.011 0.000 0.993 425 T CA -0.445 61.634 62.100 -0.036 0.000 0.970 425 T CB 1.505 70.329 68.868 -0.074 0.000 0.950 425 T HN 0.560 nan 8.240 nan 0.000 0.441 426 V N 1.236 121.124 119.914 -0.043 0.000 2.495 426 V HA 0.980 5.100 4.120 0.001 0.000 0.298 426 V C -0.462 175.517 176.094 -0.192 0.000 1.031 426 V CA -0.840 61.416 62.300 -0.074 0.000 0.871 426 V CB 1.337 33.093 31.823 -0.111 0.000 0.988 426 V HN 0.704 nan 8.190 nan 0.000 0.432 427 V N 3.403 123.198 119.914 -0.198 0.000 3.048 427 V HA 0.909 5.029 4.120 0.001 0.000 0.303 427 V C 0.436 176.431 176.094 -0.164 0.000 1.214 427 V CA 0.504 62.691 62.300 -0.188 0.000 0.984 427 V CB 2.180 33.947 31.823 -0.094 0.000 1.054 427 V HN 1.428 nan 8.190 nan 0.000 0.430 428 G N 2.620 111.334 108.800 -0.143 0.000 2.547 428 G HA2 0.368 4.328 3.960 0.001 0.000 0.291 428 G HA3 0.368 4.328 3.960 0.001 0.000 0.291 428 G C 0.601 175.460 174.900 -0.068 0.000 1.211 428 G CA 0.375 45.447 45.100 -0.046 0.000 0.950 428 G HN 0.943 nan 8.290 nan 0.000 0.504 429 D N -0.321 120.058 120.400 -0.034 0.000 2.117 429 D HA -0.101 4.540 4.640 0.001 0.000 0.198 429 D C 2.212 178.481 176.300 -0.051 0.000 0.982 429 D CA 1.323 55.260 54.000 -0.105 0.000 0.828 429 D CB -0.898 39.968 40.800 0.111 0.000 0.967 429 D HN 0.476 nan 8.370 nan 0.000 0.464 430 G N 1.176 110.029 108.800 0.088 0.000 2.459 430 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 430 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 430 G C 1.887 176.875 174.900 0.146 0.000 1.183 430 G CA 1.854 47.104 45.100 0.251 0.000 0.776 430 G HN 0.516 nan 8.290 nan 0.000 0.552 431 A N 0.051 122.906 122.820 0.059 0.000 1.933 431 A HA 0.099 4.419 4.320 0.001 0.000 0.218 431 A C 2.192 179.694 177.584 -0.138 0.000 1.175 431 A CA 1.465 53.485 52.037 -0.029 0.000 0.628 431 A CB -0.534 18.424 19.000 -0.069 0.000 0.814 431 A HN 0.377 nan 8.150 nan 0.000 0.444 432 F N 0.644 120.371 119.950 -0.372 0.000 2.171 432 F HA -0.208 4.319 4.527 0.001 0.000 0.300 432 F C 2.467 177.876 175.800 -0.652 0.000 1.090 432 F CA 2.091 59.712 58.000 -0.632 0.000 1.293 432 F CB -0.186 38.221 39.000 -0.988 0.000 1.013 432 F HN 0.299 nan 8.300 nan 0.000 0.486 433 Q N -0.514 119.178 119.800 -0.179 0.000 2.291 433 Q HA -0.216 4.124 4.340 0.001 0.000 0.206 433 Q C 2.040 178.213 176.000 0.288 0.000 0.976 433 Q CA 1.658 57.505 55.803 0.074 0.000 0.875 433 Q CB -0.115 28.548 28.738 -0.125 0.000 0.927 433 Q HN 0.531 nan 8.270 nan 0.000 0.450 434 M N -1.138 118.505 119.600 0.070 0.000 2.276 434 M HA -0.046 4.434 4.480 0.001 0.000 0.262 434 M C 1.781 178.154 176.300 0.121 0.000 1.098 434 M CA 1.645 57.036 55.300 0.151 0.000 1.167 434 M CB 0.336 32.998 32.600 0.103 0.000 1.337 434 M HN 0.173 nan 8.290 nan 0.000 0.446 435 T N -4.323 110.138 114.554 -0.155 0.000 3.087 435 T HA 0.259 4.610 4.350 0.001 0.000 0.283 435 T C 1.474 175.813 174.700 -0.603 0.000 0.956 435 T CA 0.243 62.230 62.100 -0.189 0.000 0.894 435 T CB -0.126 68.700 68.868 -0.070 0.000 1.160 435 T HN 0.350 nan 8.240 nan 0.000 0.532 436 G N 0.975 108.985 108.800 -1.317 0.000 2.470 436 G HA2 -0.093 3.868 3.960 0.001 0.000 0.220 436 G HA3 -0.093 3.868 3.960 0.001 0.000 0.220 436 G C 1.004 174.987 174.900 -1.529 0.000 1.121 436 G CA 0.314 44.107 45.100 -2.178 0.000 0.766 436 G HN 0.705 nan 8.290 nan 0.000 0.553 437 W N 0.994 121.943 121.300 -0.586 0.000 2.421 437 W HA 0.069 4.730 4.660 0.001 0.000 0.270 437 W C 2.164 178.587 176.519 -0.159 0.000 1.233 437 W CA 0.350 57.569 57.345 -0.209 0.000 1.226 437 W CB 0.109 29.535 29.460 -0.057 0.000 1.121 437 W HN 0.125 nan 8.180 nan 0.000 0.579 438 E N 0.838 120.992 120.200 -0.076 0.000 2.333 438 E HA -0.150 4.201 4.350 0.001 0.000 0.198 438 E C 1.939 178.472 176.600 -0.111 0.000 1.007 438 E CA 0.838 57.209 56.400 -0.048 0.000 0.845 438 E CB -0.562 29.090 29.700 -0.080 0.000 0.766 438 E HN 0.476 nan 8.360 nan 0.000 0.507 439 L N 0.092 121.160 121.223 -0.259 0.000 2.261 439 L HA -0.108 4.233 4.340 0.001 0.000 0.216 439 L C 2.288 179.076 176.870 -0.137 0.000 1.114 439 L CA 0.982 55.560 54.840 -0.436 0.000 0.777 439 L CB -0.550 40.867 42.059 -1.069 0.000 0.910 439 L HN 0.150 nan 8.230 nan 0.000 0.440 440 G N -0.349 108.482 108.800 0.052 0.000 2.586 440 G HA2 -0.230 3.730 3.960 0.001 0.000 0.215 440 G HA3 -0.230 3.730 3.960 0.001 0.000 0.215 440 G C 1.115 176.106 174.900 0.151 0.000 1.128 440 G CA 0.612 45.827 45.100 0.192 0.000 0.774 440 G HN 0.484 nan 8.290 nan 0.000 0.543 441 N N -1.163 117.594 118.700 0.094 0.000 2.299 441 N HA 0.055 4.795 4.740 0.001 0.000 0.187 441 N C 1.744 177.303 175.510 0.083 0.000 1.099 441 N CA -0.118 52.984 53.050 0.088 0.000 0.867 441 N CB 0.177 38.707 38.487 0.072 0.000 0.974 441 N HN 0.181 nan 8.380 nan 0.000 0.477 442 C N 0.740 120.103 119.300 0.105 0.000 2.393 442 C HA -0.129 4.332 4.460 0.001 0.000 0.276 442 C C 2.686 177.738 174.990 0.104 0.000 1.215 442 C CA 0.856 59.942 59.018 0.114 0.000 1.743 442 C CB -0.912 26.971 27.740 0.238 0.000 2.044 442 C HN 0.501 nan 8.230 nan 0.000 0.464 443 R N 0.773 121.349 120.500 0.127 0.000 2.097 443 R HA -0.210 4.130 4.340 0.001 0.000 0.236 443 R C 2.474 178.812 176.300 0.064 0.000 1.135 443 R CA 2.107 58.258 56.100 0.085 0.000 0.934 443 R CB -0.517 29.832 30.300 0.082 0.000 0.846 443 R HN 0.519 nan 8.270 nan 0.000 0.431 444 R N 0.381 120.924 120.500 0.070 0.000 2.120 444 R HA -0.084 4.256 4.340 0.001 0.000 0.234 444 R C 2.247 178.581 176.300 0.057 0.000 1.123 444 R CA 1.324 57.464 56.100 0.065 0.000 0.975 444 R CB -0.176 30.170 30.300 0.077 0.000 0.866 444 R HN 0.306 nan 8.270 nan 0.000 0.446 445 L N -0.591 120.654 121.223 0.036 0.000 2.395 445 L HA 0.138 4.478 4.340 0.001 0.000 0.218 445 L C 1.130 177.981 176.870 -0.032 0.000 1.130 445 L CA 0.613 55.437 54.840 -0.027 0.000 0.826 445 L CB 0.009 42.021 42.059 -0.078 0.000 0.941 445 L HN 0.578 nan 8.230 nan 0.000 0.451 446 G N 1.633 110.437 108.800 0.006 0.000 2.198 446 G HA2 -0.271 3.689 3.960 0.001 0.000 0.257 446 G HA3 -0.271 3.689 3.960 0.001 0.000 0.257 446 G C 0.090 174.987 174.900 -0.005 0.000 1.042 446 G CA 0.570 45.675 45.100 0.007 0.000 0.791 446 G HN 0.480 nan 8.290 nan 0.000 0.502 447 I N -3.388 117.182 120.570 0.001 0.000 3.002 447 I HA 0.891 5.061 4.170 0.001 0.000 0.310 447 I C -0.674 175.464 176.117 0.036 0.000 1.087 447 I CA -1.129 60.169 61.300 -0.003 0.000 1.017 447 I CB 2.531 40.510 38.000 -0.036 0.000 1.226 447 I HN 0.012 nan 8.210 nan 0.000 0.443 448 D N 1.261 121.678 120.400 0.028 0.000 2.968 448 D HA 0.308 4.948 4.640 0.001 0.000 0.301 448 D C -2.896 173.425 176.300 0.035 0.000 1.226 448 D CA -1.384 52.652 54.000 0.060 0.000 0.746 448 D CB 0.526 41.340 40.800 0.023 0.000 1.278 448 D HN 0.329 nan 8.370 nan 0.000 0.544 449 P HA 0.206 nan 4.420 nan 0.000 0.272 449 P C 0.148 177.446 177.300 -0.004 0.000 1.223 449 P CA -0.375 62.715 63.100 -0.016 0.000 0.784 449 P CB 1.564 33.237 31.700 -0.045 0.000 0.923 450 I N 1.525 122.044 120.570 -0.086 0.000 2.331 450 I HA 0.230 4.401 4.170 0.001 0.000 0.292 450 I C 0.002 176.093 176.117 -0.043 0.000 0.998 450 I CA -0.776 60.459 61.300 -0.109 0.000 1.267 450 I CB 1.440 39.252 38.000 -0.314 0.000 1.386 450 I HN 0.007 nan 8.210 nan 0.000 0.476 451 V N 7.756 127.678 119.914 0.012 0.000 2.444 451 V HA 0.429 4.549 4.120 0.001 0.000 0.294 451 V C -0.046 176.070 176.094 0.037 0.000 1.022 451 V CA -0.482 61.830 62.300 0.020 0.000 0.850 451 V CB 1.867 33.705 31.823 0.025 0.000 0.992 451 V HN 0.476 nan 8.190 nan 0.000 0.426 452 I N 5.754 126.366 120.570 0.069 0.000 2.328 452 I HA 0.397 4.567 4.170 0.001 0.000 0.287 452 I C -0.364 175.864 176.117 0.185 0.000 1.012 452 I CA -0.307 61.067 61.300 0.123 0.000 1.195 452 I CB 1.463 39.585 38.000 0.203 0.000 1.350 452 I HN 0.427 nan 8.210 nan 0.000 0.464 453 L N 7.244 128.514 121.223 0.078 0.000 2.257 453 L HA 0.461 4.802 4.340 0.001 0.000 0.290 453 L C -0.734 176.250 176.870 0.190 0.000 1.044 453 L CA -0.410 54.444 54.840 0.024 0.000 0.810 453 L CB 0.522 42.383 42.059 -0.329 0.000 1.193 453 L HN 0.442 nan 8.230 nan 0.000 0.425 454 F N 4.353 124.253 119.950 -0.083 0.000 2.434 454 F HA 0.155 4.682 4.527 0.001 0.000 0.358 454 F C 0.652 176.435 175.800 -0.028 0.000 1.136 454 F CA -0.513 57.468 58.000 -0.032 0.000 1.157 454 F CB 0.383 39.382 39.000 -0.002 0.000 1.167 454 F HN 0.532 nan 8.300 nan 0.000 0.539 455 N N 3.877 122.658 118.700 0.135 0.000 2.546 455 N HA 0.106 4.846 4.740 0.001 0.000 0.238 455 N C -0.278 175.301 175.510 0.115 0.000 0.984 455 N CA -0.506 52.623 53.050 0.132 0.000 0.935 455 N CB 0.388 38.975 38.487 0.167 0.000 1.122 455 N HN 0.485 nan 8.380 nan 0.000 0.510 456 N N 2.412 121.183 118.700 0.118 0.000 2.235 456 N HA 0.175 4.915 4.740 0.001 0.000 0.231 456 N C 0.093 175.650 175.510 0.080 0.000 1.177 456 N CA -0.044 53.061 53.050 0.091 0.000 0.874 456 N CB 0.202 38.745 38.487 0.092 0.000 1.097 456 N HN 0.386 nan 8.380 nan 0.000 0.518 457 A N -0.713 122.164 122.820 0.095 0.000 2.560 457 A HA -0.038 4.282 4.320 0.001 0.000 0.299 457 A C 0.311 177.907 177.584 0.020 0.000 1.484 457 A CA 1.044 53.127 52.037 0.077 0.000 0.749 457 A CB -2.053 16.993 19.000 0.077 0.000 1.072 457 A HN 0.942 nan 8.150 nan 0.000 0.426 458 S N -1.339 114.367 115.700 0.010 0.000 2.565 458 S HA 0.557 5.027 4.470 0.001 0.000 0.274 458 S C -1.382 173.281 174.600 0.105 0.000 1.144 458 S CA -0.390 57.815 58.200 0.008 0.000 0.849 458 S CB 0.581 63.819 63.200 0.062 0.000 1.103 458 S HN 1.003 nan 8.310 nan 0.000 0.455 459 W N 3.349 124.709 121.300 0.101 0.000 1.828 459 W HA 0.353 5.014 4.660 0.001 0.000 0.369 459 W C 1.107 177.681 176.519 0.092 0.000 0.764 459 W CA -0.599 56.806 57.345 0.100 0.000 1.660 459 W CB 0.282 29.821 29.460 0.131 0.000 1.843 459 W HN 0.940 nan 8.180 nan 0.000 0.286 460 E N 1.765 122.119 120.200 0.257 0.000 2.118 460 E HA -0.244 4.106 4.350 0.001 0.000 0.195 460 E C 2.199 178.879 176.600 0.133 0.000 0.992 460 E CA 1.527 58.023 56.400 0.160 0.000 0.804 460 E CB -0.160 29.609 29.700 0.116 0.000 0.741 460 E HN 0.380 nan 8.360 nan 0.000 0.458 461 M N -0.403 119.283 119.600 0.145 0.000 2.149 461 M HA -0.169 4.312 4.480 0.001 0.000 0.261 461 M C 1.674 178.126 176.300 0.253 0.000 1.064 461 M CA 1.404 56.779 55.300 0.125 0.000 1.102 461 M CB -0.026 32.661 32.600 0.145 0.000 1.369 461 M HN 0.191 nan 8.290 nan 0.000 0.408 462 L N -0.955 120.435 121.223 0.279 0.000 2.156 462 L HA -0.159 4.181 4.340 0.001 0.000 0.208 462 L C 2.610 179.636 176.870 0.259 0.000 1.095 462 L CA 0.932 55.962 54.840 0.316 0.000 0.770 462 L CB -0.826 41.396 42.059 0.271 0.000 0.914 462 L HN 0.393 nan 8.230 nan 0.000 0.439 463 R N 0.278 120.890 120.500 0.186 0.000 2.081 463 R HA -0.150 4.190 4.340 0.001 0.000 0.235 463 R C 2.181 178.514 176.300 0.054 0.000 1.131 463 R CA 2.028 58.184 56.100 0.094 0.000 0.960 463 R CB -0.258 30.084 30.300 0.069 0.000 0.856 463 R HN 0.237 nan 8.270 nan 0.000 0.436 464 T N 0.548 115.115 114.554 0.022 0.000 2.720 464 T HA -0.138 4.213 4.350 0.001 0.000 0.268 464 T C 1.438 176.064 174.700 -0.123 0.000 1.037 464 T CA 1.557 63.599 62.100 -0.096 0.000 1.144 464 T CB -0.304 68.440 68.868 -0.207 0.000 0.864 464 T HN 0.160 nan 8.240 nan 0.000 0.444 465 F N 1.020 120.963 119.950 -0.013 0.000 2.186 465 F HA 0.094 4.621 4.527 0.001 0.000 0.299 465 F C 1.855 177.649 175.800 -0.011 0.000 1.090 465 F CA 0.749 58.737 58.000 -0.019 0.000 1.307 465 F CB 0.096 39.088 39.000 -0.012 0.000 1.019 465 F HN 0.116 nan 8.300 nan 0.000 0.489 466 Q N 0.525 120.436 119.800 0.184 0.000 3.484 466 Q HA 0.171 4.511 4.340 0.001 0.000 0.255 466 Q C -2.100 173.907 176.000 0.011 0.000 0.909 466 Q CA -1.521 54.337 55.803 0.091 0.000 0.774 466 Q CB 1.101 29.907 28.738 0.113 0.000 1.431 466 Q HN -0.043 nan 8.270 nan 0.000 0.423 467 P HA -0.220 nan 4.420 nan 0.000 0.223 467 P C 0.712 177.979 177.300 -0.055 0.000 1.144 467 P CA 1.157 64.240 63.100 -0.028 0.000 0.783 467 P CB 0.326 32.014 31.700 -0.021 0.000 0.771 468 E N -0.041 120.127 120.200 -0.054 0.000 2.358 468 E HA -0.003 4.348 4.350 0.001 0.000 0.195 468 E C 0.256 176.785 176.600 -0.118 0.000 1.010 468 E CA 0.272 56.635 56.400 -0.062 0.000 0.856 468 E CB -0.517 29.164 29.700 -0.031 0.000 0.795 468 E HN 0.094 nan 8.360 nan 0.000 0.504 469 S N 0.733 116.299 115.700 -0.224 0.000 2.545 469 S HA 0.417 4.888 4.470 0.001 0.000 0.275 469 S C 0.757 175.092 174.600 -0.443 0.000 1.299 469 S CA 0.038 57.957 58.200 -0.467 0.000 1.048 469 S CB 1.613 64.181 63.200 -1.053 0.000 0.938 469 S HN 0.416 nan 8.310 nan 0.000 0.496 470 A N 2.592 125.217 122.820 -0.326 0.000 2.081 470 A HA 0.110 4.431 4.320 0.001 0.000 0.214 470 A C 1.428 178.960 177.584 -0.086 0.000 1.158 470 A CA 0.487 52.436 52.037 -0.145 0.000 0.724 470 A CB -0.597 18.385 19.000 -0.030 0.000 0.826 470 A HN 0.858 nan 8.150 nan 0.000 0.463 471 F N 0.282 120.296 119.950 0.108 0.000 2.641 471 F HA 0.025 4.553 4.527 0.001 0.000 0.298 471 F C 1.044 176.966 175.800 0.204 0.000 1.146 471 F CA 0.803 58.895 58.000 0.152 0.000 1.464 471 F CB -1.482 37.641 39.000 0.205 0.000 1.101 471 F HN 0.190 nan 8.300 nan 0.000 0.585 472 N N -0.391 118.401 118.700 0.153 0.000 2.412 472 N HA -0.047 4.693 4.740 0.001 0.000 0.184 472 N C -0.557 174.984 175.510 0.052 0.000 1.101 472 N CA 0.079 53.306 53.050 0.295 0.000 0.881 472 N CB -0.083 38.542 38.487 0.229 0.000 0.969 472 N HN 0.151 nan 8.380 nan 0.000 0.459 473 D N 1.310 121.705 120.400 -0.007 0.000 2.325 473 D HA 0.169 4.809 4.640 0.001 0.000 0.251 473 D C -0.012 176.230 176.300 -0.097 0.000 1.196 473 D CA 0.266 54.243 54.000 -0.038 0.000 0.866 473 D CB 1.069 41.859 40.800 -0.017 0.000 1.101 473 D HN 0.104 nan 8.370 nan 0.000 0.476 474 L N 1.418 122.568 121.223 -0.122 0.000 2.331 474 L HA 0.397 4.737 4.340 0.001 0.000 0.268 474 L C 0.593 177.482 176.870 0.032 0.000 1.015 474 L CA -1.117 53.653 54.840 -0.117 0.000 0.807 474 L CB 1.051 42.974 42.059 -0.228 0.000 1.293 474 L HN 0.099 nan 8.230 nan 0.000 0.451 475 D N -0.335 120.147 120.400 0.137 0.000 2.377 475 D HA 0.125 4.765 4.640 0.001 0.000 0.245 475 D C -0.714 175.733 176.300 0.246 0.000 1.196 475 D CA 0.024 54.102 54.000 0.130 0.000 0.962 475 D CB 0.719 41.539 40.800 0.034 0.000 1.127 475 D HN 0.352 nan 8.370 nan 0.000 0.471 476 D N 0.517 120.996 120.400 0.132 0.000 2.347 476 D HA 0.159 4.799 4.640 0.001 0.000 0.235 476 D C -1.150 175.216 176.300 0.110 0.000 1.149 476 D CA -0.495 53.590 54.000 0.143 0.000 0.850 476 D CB 0.161 40.996 40.800 0.059 0.000 1.061 476 D HN 0.121 nan 8.370 nan 0.000 0.487 477 W N 3.700 124.843 121.300 -0.261 0.000 2.365 477 W HA 0.397 5.058 4.660 0.001 0.000 0.316 477 W C 0.654 176.813 176.519 -0.598 0.000 1.164 477 W CA -0.882 56.148 57.345 -0.525 0.000 1.204 477 W CB 0.849 29.701 29.460 -1.014 0.000 1.213 477 W HN 0.098 nan 8.180 nan 0.000 0.539 478 R N 4.085 124.477 120.500 -0.180 0.000 3.657 478 R HA 0.134 4.475 4.340 0.001 0.000 0.220 478 R C 0.692 176.984 176.300 -0.015 0.000 1.548 478 R CA -0.465 55.591 56.100 -0.073 0.000 1.465 478 R CB -1.144 29.145 30.300 -0.018 0.000 1.330 478 R HN 0.484 nan 8.270 nan 0.000 0.707 479 F N 0.733 120.763 119.950 0.132 0.000 2.134 479 F HA -0.201 4.326 4.527 0.001 0.000 0.299 479 F C 2.383 178.211 175.800 0.046 0.000 1.097 479 F CA 1.598 59.626 58.000 0.047 0.000 1.264 479 F CB -0.532 38.287 39.000 -0.302 0.000 1.001 479 F HN 0.405 nan 8.300 nan 0.000 0.479 480 A N -0.014 122.924 122.820 0.197 0.000 1.902 480 A HA -0.193 4.128 4.320 0.001 0.000 0.217 480 A C 1.939 179.605 177.584 0.137 0.000 1.181 480 A CA 2.023 54.143 52.037 0.138 0.000 0.623 480 A CB -0.843 18.209 19.000 0.087 0.000 0.818 480 A HN 0.278 nan 8.150 nan 0.000 0.443 481 D N -0.499 119.973 120.400 0.120 0.000 2.218 481 D HA -0.094 4.547 4.640 0.001 0.000 0.204 481 D C 1.755 178.140 176.300 0.141 0.000 0.976 481 D CA 1.176 55.236 54.000 0.101 0.000 0.853 481 D CB -0.244 40.596 40.800 0.067 0.000 0.939 481 D HN 0.541 nan 8.370 nan 0.000 0.481 482 M N -0.282 119.451 119.600 0.221 0.000 2.509 482 M HA 0.171 4.651 4.480 0.001 0.000 0.250 482 M C 2.042 178.548 176.300 0.345 0.000 1.132 482 M CA 0.044 55.522 55.300 0.296 0.000 1.080 482 M CB 0.393 33.264 32.600 0.451 0.000 1.408 482 M HN -0.096 nan 8.290 nan 0.000 0.484 483 A N 1.063 124.074 122.820 0.320 0.000 1.940 483 A HA -0.079 4.241 4.320 0.001 0.000 0.219 483 A C 2.410 180.126 177.584 0.220 0.000 1.176 483 A CA 1.989 54.248 52.037 0.369 0.000 0.631 483 A CB -0.757 18.408 19.000 0.276 0.000 0.814 483 A HN 0.474 nan 8.150 nan 0.000 0.446 484 A N -0.442 122.451 122.820 0.121 0.000 1.908 484 A HA 0.082 4.403 4.320 0.001 0.000 0.218 484 A C 2.401 180.044 177.584 0.100 0.000 1.181 484 A CA 1.914 53.986 52.037 0.058 0.000 0.627 484 A CB -1.418 17.608 19.000 0.044 0.000 0.818 484 A HN 0.821 nan 8.150 nan 0.000 0.445 485 G N -1.157 107.731 108.800 0.147 0.000 2.470 485 G HA2 -0.135 3.825 3.960 0.001 0.000 0.220 485 G HA3 -0.135 3.825 3.960 0.001 0.000 0.220 485 G C 1.362 176.374 174.900 0.186 0.000 1.121 485 G CA 1.056 46.245 45.100 0.148 0.000 0.766 485 G HN 0.506 nan 8.290 nan 0.000 0.553 486 M N 0.024 119.787 119.600 0.271 0.000 2.383 486 M HA 0.278 4.758 4.480 0.001 0.000 0.247 486 M C 1.542 178.042 176.300 0.334 0.000 1.117 486 M CA 0.525 56.031 55.300 0.344 0.000 0.995 486 M CB 0.873 33.773 32.600 0.500 0.000 1.480 486 M HN 0.282 nan 8.290 nan 0.000 0.485 487 G N 0.670 109.566 108.800 0.160 0.000 2.132 487 G HA2 -0.166 3.795 3.960 0.001 0.000 0.234 487 G HA3 -0.166 3.795 3.960 0.001 0.000 0.234 487 G C 0.084 174.842 174.900 -0.237 0.000 0.989 487 G CA -0.130 44.992 45.100 0.035 0.000 0.676 487 G HN 0.611 nan 8.290 nan 0.000 0.522 488 G N -1.206 107.239 108.800 -0.592 0.000 2.788 488 G HA2 0.618 4.578 3.960 0.001 0.000 0.293 488 G HA3 0.618 4.578 3.960 0.001 0.000 0.293 488 G C -1.461 173.024 174.900 -0.692 0.000 1.305 488 G CA -0.454 43.747 45.100 -1.499 0.000 1.005 488 G HN 0.087 nan 8.290 nan 0.000 0.496 489 D N -0.096 119.959 120.400 -0.575 0.000 2.349 489 D HA 0.522 5.162 4.640 0.001 0.000 0.232 489 D C 0.172 176.411 176.300 -0.103 0.000 1.071 489 D CA 0.050 53.913 54.000 -0.227 0.000 0.832 489 D CB 1.626 42.333 40.800 -0.156 0.000 1.086 489 D HN 0.547 nan 8.370 nan 0.000 0.504 490 G N 0.204 108.992 108.800 -0.020 0.000 2.453 490 G HA2 0.625 4.586 3.960 0.001 0.000 0.323 490 G HA3 0.625 4.586 3.960 0.001 0.000 0.323 490 G C -0.913 174.007 174.900 0.033 0.000 1.198 490 G CA -0.556 44.573 45.100 0.048 0.000 0.959 490 G HN 0.296 nan 8.290 nan 0.000 0.482 491 V N 0.767 120.703 119.914 0.037 0.000 2.817 491 V HA 0.484 4.604 4.120 0.001 0.000 0.303 491 V C -0.241 175.870 176.094 0.029 0.000 1.151 491 V CA -0.976 61.341 62.300 0.027 0.000 0.929 491 V CB 1.931 33.764 31.823 0.017 0.000 1.030 491 V HN 0.923 nan 8.190 nan 0.000 0.427 492 R N 3.267 123.785 120.500 0.029 0.000 2.312 492 R HA 0.805 5.145 4.340 0.001 0.000 0.311 492 R C -0.893 175.416 176.300 0.015 0.000 1.004 492 R CA -0.345 55.771 56.100 0.028 0.000 0.902 492 R CB 1.684 32.005 30.300 0.035 0.000 1.073 492 R HN 0.738 nan 8.270 nan 0.000 0.457 493 V N 2.031 121.948 119.914 0.006 0.000 2.735 493 V HA 0.569 4.690 4.120 0.001 0.000 0.310 493 V C 0.098 176.186 176.094 -0.010 0.000 1.061 493 V CA -0.804 61.493 62.300 -0.004 0.000 0.913 493 V CB 2.091 33.907 31.823 -0.011 0.000 1.005 493 V HN 0.956 nan 8.190 nan 0.000 0.428 494 R N 1.455 121.949 120.500 -0.009 0.000 2.412 494 R HA 0.250 4.590 4.340 0.001 0.000 0.212 494 R C 0.641 176.931 176.300 -0.016 0.000 0.878 494 R CA 0.693 56.786 56.100 -0.011 0.000 1.022 494 R CB 0.936 31.234 30.300 -0.004 0.000 1.265 494 R HN 0.901 nan 8.270 nan 0.000 0.620 495 T N -2.033 112.512 114.554 -0.015 0.000 2.952 495 T HA 0.344 4.694 4.350 0.001 0.000 0.286 495 T C 0.863 175.551 174.700 -0.020 0.000 1.024 495 T CA -0.902 61.188 62.100 -0.016 0.000 1.029 495 T CB 2.435 71.296 68.868 -0.010 0.000 1.094 495 T HN -0.067 nan 8.240 nan 0.000 0.515 496 R N 0.593 121.080 120.500 -0.020 0.000 2.120 496 R HA -0.006 4.334 4.340 0.001 0.000 0.234 496 R C 2.603 178.894 176.300 -0.015 0.000 1.123 496 R CA 1.182 57.269 56.100 -0.022 0.000 0.975 496 R CB -0.779 29.509 30.300 -0.020 0.000 0.866 496 R HN 0.805 nan 8.270 nan 0.000 0.446 497 A N 1.613 124.426 122.820 -0.011 0.000 1.898 497 A HA -0.182 4.138 4.320 0.001 0.000 0.216 497 A C 1.885 179.466 177.584 -0.005 0.000 1.181 497 A CA 1.266 53.299 52.037 -0.007 0.000 0.620 497 A CB -0.240 18.757 19.000 -0.005 0.000 0.819 497 A HN 0.314 nan 8.150 nan 0.000 0.442 498 E N -0.640 119.557 120.200 -0.006 0.000 2.106 498 E HA -0.168 4.183 4.350 0.001 0.000 0.192 498 E C 1.945 178.544 176.600 -0.002 0.000 0.984 498 E CA 1.101 57.499 56.400 -0.003 0.000 0.806 498 E CB -0.288 29.410 29.700 -0.004 0.000 0.750 498 E HN 0.522 nan 8.360 nan 0.000 0.458 499 L N 1.978 123.195 121.223 -0.010 0.000 1.989 499 L HA -0.215 4.126 4.340 0.001 0.000 0.211 499 L C 2.241 179.113 176.870 0.003 0.000 1.071 499 L CA 1.962 56.794 54.840 -0.012 0.000 0.749 499 L CB -0.343 41.697 42.059 -0.031 0.000 0.890 499 L HN -0.094 nan 8.230 nan 0.000 0.431 500 K N -0.741 119.659 120.400 0.001 0.000 2.063 500 K HA -0.185 4.136 4.320 0.001 0.000 0.208 500 K C 1.981 178.592 176.600 0.019 0.000 1.048 500 K CA 1.422 57.714 56.287 0.008 0.000 0.928 500 K CB -0.277 32.222 32.500 -0.001 0.000 0.713 500 K HN 0.499 nan 8.250 nan 0.000 0.442 501 A N 1.025 123.853 122.820 0.015 0.000 1.902 501 A HA -0.106 4.214 4.320 0.001 0.000 0.217 501 A C 2.314 179.917 177.584 0.031 0.000 1.181 501 A CA 1.896 53.945 52.037 0.019 0.000 0.623 501 A CB -0.754 18.253 19.000 0.012 0.000 0.818 501 A HN 0.480 nan 8.150 nan 0.000 0.443 502 A N -0.707 122.130 122.820 0.029 0.000 1.902 502 A HA -0.031 4.290 4.320 0.001 0.000 0.217 502 A C 2.131 179.751 177.584 0.061 0.000 1.181 502 A CA 1.720 53.778 52.037 0.034 0.000 0.623 502 A CB -0.578 18.436 19.000 0.022 0.000 0.818 502 A HN 0.583 nan 8.150 nan 0.000 0.443 503 L N 0.022 121.295 121.223 0.082 0.000 2.056 503 L HA -0.150 4.190 4.340 0.001 0.000 0.207 503 L C 1.702 178.714 176.870 0.237 0.000 1.078 503 L CA 2.344 57.282 54.840 0.163 0.000 0.749 503 L CB -0.566 41.586 42.059 0.155 0.000 0.901 503 L HN 0.333 nan 8.230 nan 0.000 0.433 504 D N -0.518 119.967 120.400 0.140 0.000 2.117 504 D HA -0.205 4.435 4.640 0.001 0.000 0.197 504 D C 2.111 178.491 176.300 0.133 0.000 0.987 504 D CA 0.979 55.056 54.000 0.127 0.000 0.829 504 D CB -0.112 40.721 40.800 0.055 0.000 0.961 504 D HN 0.286 nan 8.370 nan 0.000 0.460 505 K N 0.855 121.308 120.400 0.087 0.000 2.057 505 K HA -0.093 4.227 4.320 0.001 0.000 0.207 505 K C 1.983 178.616 176.600 0.056 0.000 1.049 505 K CA 1.102 57.424 56.287 0.058 0.000 0.931 505 K CB -0.080 32.439 32.500 0.033 0.000 0.714 505 K HN 0.017 nan 8.250 nan 0.000 0.440 506 A N 0.543 123.395 122.820 0.053 0.000 1.877 506 A HA -0.155 4.165 4.320 0.001 0.000 0.216 506 A C 2.024 179.576 177.584 -0.054 0.000 1.186 506 A CA 1.376 53.400 52.037 -0.020 0.000 0.620 506 A CB -0.856 18.107 19.000 -0.061 0.000 0.822 506 A HN 0.322 nan 8.150 nan 0.000 0.443 507 F N -0.029 119.927 119.950 0.010 0.000 2.269 507 F HA -0.039 4.489 4.527 0.001 0.000 0.301 507 F C 2.470 178.273 175.800 0.005 0.000 1.082 507 F CA 1.099 59.104 58.000 0.008 0.000 1.360 507 F CB -0.039 38.963 39.000 0.004 0.000 1.041 507 F HN 0.249 nan 8.300 nan 0.000 0.512 508 A N -1.299 121.619 122.820 0.163 0.000 2.278 508 A HA 0.191 4.512 4.320 0.001 0.000 0.212 508 A C 0.452 178.064 177.584 0.047 0.000 1.213 508 A CA 0.396 52.489 52.037 0.094 0.000 0.840 508 A CB -0.586 18.459 19.000 0.074 0.000 0.866 508 A HN 0.100 nan 8.150 nan 0.000 0.489 509 T N 1.495 116.064 114.554 0.024 0.000 2.892 509 T HA 0.452 4.802 4.350 0.001 0.000 0.311 509 T C -0.226 174.461 174.700 -0.021 0.000 1.033 509 T CA -0.715 61.383 62.100 -0.004 0.000 0.991 509 T CB 1.026 69.884 68.868 -0.017 0.000 0.981 509 T HN 0.239 nan 8.240 nan 0.000 0.457 510 R N 0.975 121.468 120.500 -0.011 0.000 2.700 510 R HA 0.799 5.139 4.340 0.001 0.000 0.253 510 R C 1.397 177.686 176.300 -0.017 0.000 1.091 510 R CA -0.124 55.967 56.100 -0.014 0.000 1.104 510 R CB 0.593 30.893 30.300 0.000 0.000 1.202 510 R HN 0.861 nan 8.270 nan 0.000 0.532 511 G N 0.233 109.026 108.800 -0.012 0.000 2.317 511 G HA2 -0.266 3.694 3.960 0.001 0.000 0.227 511 G HA3 -0.266 3.694 3.960 0.001 0.000 0.227 511 G C 0.026 174.915 174.900 -0.018 0.000 1.042 511 G CA -0.004 45.089 45.100 -0.011 0.000 0.623 511 G HN 0.455 nan 8.290 nan 0.000 0.509 512 R N -0.175 120.298 120.500 -0.044 0.000 2.725 512 R HA 0.578 4.918 4.340 0.001 0.000 0.277 512 R C 0.108 176.357 176.300 -0.084 0.000 0.987 512 R CA -0.707 55.335 56.100 -0.097 0.000 0.901 512 R CB 1.263 31.449 30.300 -0.191 0.000 1.207 512 R HN 0.439 nan 8.270 nan 0.000 0.463 513 F N 0.378 120.323 119.950 -0.007 0.000 2.553 513 F HA 0.189 4.717 4.527 0.001 0.000 0.356 513 F C -0.273 175.517 175.800 -0.017 0.000 1.142 513 F CA -0.386 57.603 58.000 -0.019 0.000 1.322 513 F CB 0.550 39.548 39.000 -0.003 0.000 1.126 513 F HN 0.111 nan 8.300 nan 0.000 0.599 514 Q N 4.298 124.207 119.800 0.182 0.000 2.368 514 Q HA 0.378 4.719 4.340 0.001 0.000 0.263 514 Q C -1.359 174.750 176.000 0.183 0.000 1.009 514 Q CA -0.801 55.045 55.803 0.072 0.000 0.818 514 Q CB 2.036 30.759 28.738 -0.024 0.000 1.239 514 Q HN 0.824 nan 8.270 nan 0.000 0.464 515 L N 4.517 125.868 121.223 0.214 0.000 2.265 515 L HA 0.471 4.811 4.340 0.001 0.000 0.289 515 L C -0.919 175.994 176.870 0.071 0.000 1.033 515 L CA -0.126 54.822 54.840 0.181 0.000 0.814 515 L CB 0.622 42.849 42.059 0.280 0.000 1.203 515 L HN 0.515 nan 8.230 nan 0.000 0.423 516 I N 4.989 125.581 120.570 0.036 0.000 2.330 516 I HA 0.277 4.447 4.170 0.001 0.000 0.286 516 I C 0.095 176.210 176.117 -0.003 0.000 1.025 516 I CA -0.310 61.001 61.300 0.018 0.000 1.197 516 I CB 1.175 39.187 38.000 0.020 0.000 1.358 516 I HN 0.615 nan 8.210 nan 0.000 0.467 517 E N 6.635 126.833 120.200 -0.003 0.000 1.963 517 E HA 0.450 4.801 4.350 0.001 0.000 0.274 517 E C -0.476 176.122 176.600 -0.004 0.000 1.061 517 E CA -0.625 55.771 56.400 -0.007 0.000 0.847 517 E CB 0.850 30.572 29.700 0.037 0.000 1.083 517 E HN 0.719 nan 8.360 nan 0.000 0.402 518 A N 6.384 129.183 122.820 -0.034 0.000 2.302 518 A HA 0.289 4.609 4.320 0.001 0.000 0.295 518 A C 0.043 177.596 177.584 -0.051 0.000 1.235 518 A CA -0.563 51.429 52.037 -0.076 0.000 0.876 518 A CB 0.217 19.102 19.000 -0.193 0.000 1.133 518 A HN 0.637 nan 8.150 nan 0.000 0.533 519 M N 3.888 123.474 119.600 -0.024 0.000 2.220 519 M HA 0.280 4.760 4.480 0.001 0.000 0.343 519 M C -0.380 175.909 176.300 -0.019 0.000 1.470 519 M CA 0.299 55.599 55.300 0.001 0.000 1.161 519 M CB -0.622 31.986 32.600 0.013 0.000 1.737 519 M HN 0.457 nan 8.290 nan 0.000 0.464 520 I N 5.961 126.527 120.570 -0.006 0.000 2.377 520 I HA 0.353 4.523 4.170 0.001 0.000 0.293 520 I C -2.030 174.097 176.117 0.017 0.000 0.987 520 I CA -1.993 59.300 61.300 -0.011 0.000 1.185 520 I CB 1.960 39.956 38.000 -0.006 0.000 1.341 520 I HN 0.326 nan 8.210 nan 0.000 0.455 521 P HA 0.168 nan 4.420 nan 0.000 0.271 521 P C -0.659 176.655 177.300 0.024 0.000 1.218 521 P CA -0.363 62.747 63.100 0.016 0.000 0.780 521 P CB 0.475 32.179 31.700 0.007 0.000 0.901 522 R N 1.403 121.918 120.500 0.025 0.000 2.679 522 R HA 0.311 4.652 4.340 0.001 0.000 0.268 522 R C 1.394 177.705 176.300 0.018 0.000 1.044 522 R CA 1.009 57.125 56.100 0.028 0.000 1.105 522 R CB -0.441 29.873 30.300 0.022 0.000 0.989 522 R HN 0.877 nan 8.270 nan 0.000 0.447 523 G N 0.696 109.506 108.800 0.018 0.000 2.205 523 G HA2 -0.262 3.698 3.960 0.001 0.000 0.261 523 G HA3 -0.262 3.698 3.960 0.001 0.000 0.261 523 G C -0.047 174.856 174.900 0.005 0.000 0.980 523 G CA 0.043 45.147 45.100 0.006 0.000 0.632 523 G HN 0.431 nan 8.290 nan 0.000 0.533 524 V N 2.576 122.499 119.914 0.014 0.000 2.333 524 V HA 0.717 4.837 4.120 0.001 0.000 0.274 524 V C 0.535 176.646 176.094 0.028 0.000 1.028 524 V CA -0.070 62.239 62.300 0.015 0.000 0.851 524 V CB 1.027 32.857 31.823 0.012 0.000 1.000 524 V HN 0.771 nan 8.190 nan 0.000 0.456 525 L N 2.911 124.146 121.223 0.019 0.000 2.376 525 L HA 0.863 5.203 4.340 0.001 0.000 0.258 525 L C 0.222 177.111 176.870 0.032 0.000 1.013 525 L CA -0.785 54.073 54.840 0.030 0.000 0.822 525 L CB 2.276 44.330 42.059 -0.009 0.000 1.388 525 L HN 0.536 nan 8.230 nan 0.000 0.413 526 S N -0.881 114.857 115.700 0.063 0.000 2.566 526 S HA 0.021 4.492 4.470 0.001 0.000 0.280 526 S C 0.396 175.019 174.600 0.038 0.000 1.343 526 S CA 0.225 58.471 58.200 0.076 0.000 1.036 526 S CB 0.819 64.102 63.200 0.139 0.000 0.866 526 S HN 0.803 nan 8.310 nan 0.000 0.526 527 D N 1.870 122.297 120.400 0.046 0.000 2.144 527 D HA -0.030 4.611 4.640 0.001 0.000 0.199 527 D C 1.954 178.275 176.300 0.035 0.000 0.984 527 D CA 1.744 55.761 54.000 0.028 0.000 0.834 527 D CB -0.561 40.260 40.800 0.036 0.000 0.955 527 D HN 0.749 nan 8.370 nan 0.000 0.465 528 T N 0.648 115.252 114.554 0.083 0.000 2.652 528 T HA -0.179 4.171 4.350 0.001 0.000 0.267 528 T C 1.837 176.582 174.700 0.074 0.000 1.039 528 T CA 0.830 63.014 62.100 0.139 0.000 1.153 528 T CB -0.415 68.603 68.868 0.251 0.000 0.863 528 T HN 0.065 nan 8.240 nan 0.000 0.428 529 L N 1.418 122.595 121.223 -0.077 0.000 2.017 529 L HA 0.092 4.432 4.340 0.001 0.000 0.208 529 L C 2.635 179.349 176.870 -0.260 0.000 1.073 529 L CA 1.915 56.472 54.840 -0.472 0.000 0.745 529 L CB -1.198 40.549 42.059 -0.521 0.000 0.894 529 L HN 0.235 nan 8.230 nan 0.000 0.432 530 A N -0.198 122.533 122.820 -0.147 0.000 1.873 530 A HA -0.268 4.053 4.320 0.001 0.000 0.218 530 A C 2.438 179.950 177.584 -0.120 0.000 1.193 530 A CA 2.167 54.125 52.037 -0.132 0.000 0.629 530 A CB -0.632 18.321 19.000 -0.078 0.000 0.826 530 A HN 0.526 nan 8.150 nan 0.000 0.447 531 R N -2.244 118.219 120.500 -0.063 0.000 2.115 531 R HA -0.056 4.284 4.340 0.001 0.000 0.230 531 R C 1.980 178.244 176.300 -0.059 0.000 1.111 531 R CA 1.316 57.384 56.100 -0.052 0.000 0.976 531 R CB -0.424 29.867 30.300 -0.015 0.000 0.870 531 R HN 0.617 nan 8.270 nan 0.000 0.445 532 F N 1.010 120.847 119.950 -0.187 0.000 2.075 532 F HA -0.209 4.318 4.527 0.001 0.000 0.297 532 F C 2.060 177.713 175.800 -0.244 0.000 1.113 532 F CA 1.382 59.267 58.000 -0.193 0.000 1.218 532 F CB -0.337 38.521 39.000 -0.237 0.000 0.984 532 F HN -0.298 nan 8.300 nan 0.000 0.472 533 V N 0.343 120.103 119.914 -0.255 0.000 2.343 533 V HA -0.308 3.813 4.120 0.001 0.000 0.247 533 V C 2.346 178.198 176.094 -0.404 0.000 1.051 533 V CA 2.075 64.048 62.300 -0.545 0.000 1.036 533 V CB -0.823 30.527 31.823 -0.788 0.000 0.654 533 V HN 0.386 nan 8.190 nan 0.000 0.451 534 Q N 0.984 120.620 119.800 -0.273 0.000 2.124 534 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 534 Q C 2.145 178.047 176.000 -0.164 0.000 0.977 534 Q CA 2.143 57.836 55.803 -0.184 0.000 0.850 534 Q CB -0.998 27.662 28.738 -0.129 0.000 0.901 534 Q HN 0.560 nan 8.270 nan 0.000 0.429 535 G N -0.137 108.540 108.800 -0.206 0.000 2.402 535 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 535 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 535 G C 1.321 176.111 174.900 -0.184 0.000 1.162 535 G CA 0.620 45.607 45.100 -0.189 0.000 0.777 535 G HN 0.288 nan 8.290 nan 0.000 0.539 536 Q N 0.584 120.219 119.800 -0.276 0.000 2.084 536 Q HA -0.041 4.300 4.340 0.001 0.000 0.202 536 Q C 2.537 178.516 176.000 -0.035 0.000 0.978 536 Q CA 1.179 56.877 55.803 -0.173 0.000 0.844 536 Q CB -0.336 28.311 28.738 -0.152 0.000 0.898 536 Q HN 0.485 nan 8.270 nan 0.000 0.426 537 K N 0.189 120.564 120.400 -0.042 0.000 2.057 537 K HA -0.084 4.237 4.320 0.001 0.000 0.207 537 K C 2.231 178.847 176.600 0.027 0.000 1.049 537 K CA 0.903 57.198 56.287 0.013 0.000 0.931 537 K CB -0.053 32.435 32.500 -0.020 0.000 0.714 537 K HN 0.076 nan 8.250 nan 0.000 0.440 538 R N 0.663 121.160 120.500 -0.006 0.000 2.090 538 R HA -0.015 4.325 4.340 0.001 0.000 0.228 538 R C 2.352 178.671 176.300 0.030 0.000 1.110 538 R CA 0.693 56.796 56.100 0.004 0.000 0.973 538 R CB -0.236 30.052 30.300 -0.019 0.000 0.869 538 R HN 0.189 nan 8.270 nan 0.000 0.440 539 L N 0.242 121.498 121.223 0.055 0.000 1.989 539 L HA -0.210 4.130 4.340 0.001 0.000 0.211 539 L C 0.935 177.867 176.870 0.103 0.000 1.071 539 L CA 1.456 56.353 54.840 0.094 0.000 0.749 539 L CB -0.219 41.950 42.059 0.183 0.000 0.890 539 L HN 0.361 nan 8.230 nan 0.000 0.431 540 H N -0.487 118.574 119.070 -0.016 0.000 2.640 540 H HA 0.369 4.925 4.556 0.001 0.000 0.220 540 H C -0.033 175.294 175.328 -0.003 0.000 1.852 540 H CA -0.208 55.836 56.048 -0.007 0.000 1.275 540 H CB 0.049 29.809 29.762 -0.003 0.000 1.675 540 H HN 0.287 nan 8.280 nan 0.000 0.523 541 A N 0.000 122.860 122.820 0.067 0.000 2.254 541 A HA 0.000 4.320 4.320 0.001 0.000 0.244 541 A CA 0.000 52.061 52.037 0.039 0.000 0.836 541 A CB 0.000 19.015 19.000 0.025 0.000 0.831 541 A HN 0.000 nan 8.150 nan 0.000 0.486