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 2dht_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLYKEPEDGE KIKFDKGKWI VPNKPVILYI EGDGIGPEIT NAAIKVINKA DATA SEQUENCE VERAYGSSRE IKWLEVYAGE KAEKLVNDRF PKETQEMLLK YRVVLKGPLE DATA SEQUENCE TPXXXXXXSV NVAIRLMLDL YANIRPVKYI EGLESPLKHP EKVDMIIFRE DATA SEQUENCE NTDDLYRGIE YPFNSEEAKK IRDFLRKELK VEIEDDTGIG IKVMSKYKTQ DATA SEQUENCE RITRLAIQYA IEHKRKKVTI MHKGNVMKYT EGAFREWAYE VALKEYRDFI DATA SEQUENCE VTEEEINQGK PDQGKIILND RIADNMFQQI IIRPEEYDII LAPNVNGDYI DATA SEQUENCE SDAAGALIGN IGMLGGANIG DEGGMFEAIH GTAPKYAGKN VANPTGIIKA DATA SEQUENCE GELMLRWMGW NEAADLIEKA INMAIRDKKV TQDIARFMGV KALGTKEYAD DATA SEQUENCE ELIKIMDTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.236 176.300 -0.107 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.066 0.000 0.988 1 M CB 0.000 32.561 32.600 -0.065 0.000 1.302 2 L N -0.792 120.286 121.223 -0.242 0.000 2.549 2 L HA 0.124 4.269 4.340 -0.324 0.000 0.229 2 L C -0.512 176.175 176.870 -0.305 0.000 1.158 2 L CA 1.095 55.765 54.840 -0.282 0.000 0.842 2 L CB -0.489 41.350 42.059 -0.367 0.000 0.952 2 L HN 0.400 nan 8.230 nan 0.000 0.452 3 Y N 1.257 121.523 120.300 -0.057 0.000 2.356 3 Y HA 0.488 4.844 4.550 -0.324 0.000 0.334 3 Y C -0.174 175.698 175.900 -0.047 0.000 0.958 3 Y CA -1.706 56.339 58.100 -0.093 0.000 1.196 3 Y CB 1.103 39.488 38.460 -0.126 0.000 1.137 3 Y HN -0.075 nan 8.280 nan 0.000 0.485 4 K N 3.046 123.520 120.400 0.122 0.000 2.292 4 K HA 0.188 4.313 4.320 -0.324 0.000 0.290 4 K C -0.185 176.447 176.600 0.053 0.000 1.083 4 K CA -0.167 56.163 56.287 0.072 0.000 0.918 4 K CB 0.142 32.675 32.500 0.056 0.000 1.089 4 K HN 0.541 nan 8.250 nan 0.000 0.473 5 E N 4.407 124.639 120.200 0.052 0.000 2.360 5 E HA 0.069 4.224 4.350 -0.324 0.000 0.269 5 E C -1.908 174.692 176.600 0.000 0.000 1.022 5 E CA -1.860 54.547 56.400 0.013 0.000 0.887 5 E CB 0.155 29.904 29.700 0.082 0.000 0.990 5 E HN 0.385 nan 8.360 nan 0.000 0.426 6 P HA -0.073 nan 4.420 nan 0.000 0.265 6 P C -0.172 177.129 177.300 0.001 0.000 1.222 6 P CA 0.337 63.422 63.100 -0.026 0.000 0.767 6 P CB 0.430 32.090 31.700 -0.065 0.000 0.801 7 E N 1.287 121.497 120.200 0.017 0.000 2.502 7 E HA -0.081 4.075 4.350 -0.324 0.000 0.194 7 E C 0.129 176.742 176.600 0.021 0.000 1.062 7 E CA 0.087 56.502 56.400 0.026 0.000 0.867 7 E CB -0.076 29.640 29.700 0.026 0.000 0.888 7 E HN 0.260 nan 8.360 nan 0.000 0.510 8 D N 0.696 121.104 120.400 0.014 0.000 2.670 8 D HA 0.227 4.673 4.640 -0.324 0.000 0.255 8 D C -0.369 175.935 176.300 0.005 0.000 1.286 8 D CA -0.210 53.797 54.000 0.013 0.000 0.830 8 D CB 0.427 41.236 40.800 0.015 0.000 1.065 8 D HN 0.226 nan 8.370 nan 0.000 0.486 9 G N -0.409 108.393 108.800 0.003 0.000 2.630 9 G HA2 0.673 4.439 3.960 -0.324 0.000 0.296 9 G HA3 0.673 4.439 3.960 -0.324 0.000 0.296 9 G C -0.903 174.010 174.900 0.023 0.000 1.285 9 G CA -0.722 44.372 45.100 -0.010 0.000 0.958 9 G HN 0.129 nan 8.290 nan 0.000 0.479 10 E N -0.170 120.039 120.200 0.016 0.000 2.343 10 E HA 0.335 4.491 4.350 -0.324 0.000 0.270 10 E C -0.873 175.745 176.600 0.029 0.000 0.895 10 E CA -0.893 55.524 56.400 0.028 0.000 0.767 10 E CB 2.670 32.368 29.700 -0.003 0.000 1.248 10 E HN 0.347 nan 8.360 nan 0.000 0.440 11 K N 1.310 121.715 120.400 0.010 0.000 2.326 11 K HA 0.278 4.404 4.320 -0.324 0.000 0.275 11 K C -0.134 176.347 176.600 -0.198 0.000 1.018 11 K CA -0.182 56.067 56.287 -0.063 0.000 0.962 11 K CB 0.650 33.050 32.500 -0.167 0.000 0.953 11 K HN 0.356 nan 8.250 nan 0.000 0.475 12 I N 3.298 123.656 120.570 -0.353 0.000 2.436 12 I HA -0.036 3.940 4.170 -0.324 0.000 0.289 12 I C 0.629 176.273 176.117 -0.788 0.000 1.083 12 I CA 0.214 61.180 61.300 -0.556 0.000 1.372 12 I CB 0.385 37.932 38.000 -0.754 0.000 1.408 12 I HN 0.401 nan 8.210 nan 0.000 0.516 13 K N 7.443 127.568 120.400 -0.457 0.000 3.173 13 K HA 0.144 4.269 4.320 -0.324 0.000 0.255 13 K C -0.664 175.848 176.600 -0.147 0.000 1.235 13 K CA -0.415 55.698 56.287 -0.290 0.000 1.250 13 K CB -0.308 32.124 32.500 -0.112 0.000 1.382 13 K HN 0.408 nan 8.250 nan 0.000 0.421 14 F N 0.198 120.074 119.950 -0.124 0.000 2.484 14 F HA 0.020 4.354 4.527 -0.321 0.000 0.355 14 F C 0.475 176.272 175.800 -0.005 0.000 1.170 14 F CA -0.693 57.270 58.000 -0.061 0.000 1.025 14 F CB -0.331 38.513 39.000 -0.261 0.000 1.107 14 F HN 0.043 nan 8.300 nan 0.000 0.589 15 D N 2.208 122.761 120.400 0.256 0.000 2.259 15 D HA -0.019 4.427 4.640 -0.324 0.000 0.216 15 D C 1.306 177.702 176.300 0.160 0.000 0.961 15 D CA 1.180 55.286 54.000 0.176 0.000 0.878 15 D CB 0.095 40.963 40.800 0.114 0.000 1.009 15 D HN 0.399 nan 8.370 nan 0.000 0.490 16 K N -0.411 120.097 120.400 0.180 0.000 2.440 16 K HA 0.446 4.572 4.320 -0.324 0.000 0.206 16 K C 0.883 177.608 176.600 0.208 0.000 1.025 16 K CA 0.242 56.626 56.287 0.162 0.000 1.135 16 K CB 0.866 33.444 32.500 0.131 0.000 0.856 16 K HN 0.067 nan 8.250 nan 0.000 0.502 17 G N 1.139 110.101 108.800 0.270 0.000 2.159 17 G HA2 -0.333 3.433 3.960 -0.324 0.000 0.256 17 G HA3 -0.333 3.433 3.960 -0.324 0.000 0.256 17 G C 0.975 176.160 174.900 0.476 0.000 0.977 17 G CA 0.534 45.844 45.100 0.351 0.000 0.652 17 G HN 0.296 nan 8.290 nan 0.000 0.531 18 K N -0.727 119.929 120.400 0.426 0.000 2.352 18 K HA 0.148 4.274 4.320 -0.324 0.000 0.194 18 K C 0.236 177.174 176.600 0.562 0.000 1.038 18 K CA 0.341 56.857 56.287 0.380 0.000 1.023 18 K CB 0.168 32.804 32.500 0.225 0.000 0.840 18 K HN 0.507 nan 8.250 nan 0.000 0.519 19 W N 0.385 121.872 121.300 0.311 0.000 3.098 19 W HA -0.179 4.285 4.660 -0.327 0.000 0.452 19 W C -1.136 175.448 176.519 0.109 0.000 1.839 19 W CA -0.257 57.258 57.345 0.283 0.000 0.464 19 W CB -1.772 27.890 29.460 0.337 0.000 2.860 19 W HN -0.050 nan 8.180 nan 0.000 0.426 20 I N 3.863 124.539 120.570 0.177 0.000 2.330 20 I HA 0.360 4.336 4.170 -0.324 0.000 0.286 20 I C 0.168 176.291 176.117 0.010 0.000 1.025 20 I CA -0.671 60.685 61.300 0.094 0.000 1.197 20 I CB 0.753 38.785 38.000 0.054 0.000 1.358 20 I HN 0.010 nan 8.210 nan 0.000 0.467 21 V N 8.655 128.605 119.914 0.060 0.000 2.370 21 V HA 0.472 4.397 4.120 -0.324 0.000 0.279 21 V C -1.815 174.324 176.094 0.074 0.000 1.029 21 V CA -1.374 60.933 62.300 0.012 0.000 0.870 21 V CB 0.896 32.702 31.823 -0.029 0.000 0.984 21 V HN 0.557 nan 8.190 nan 0.000 0.451 22 P HA 0.345 nan 4.420 nan 0.000 0.289 22 P C 0.561 177.958 177.300 0.161 0.000 1.299 22 P CA -0.631 62.508 63.100 0.065 0.000 0.766 22 P CB 0.664 32.373 31.700 0.015 0.000 1.226 23 N N -0.259 118.509 118.700 0.113 0.000 2.457 23 N HA -0.037 4.509 4.740 -0.324 0.000 0.180 23 N C 0.004 175.611 175.510 0.161 0.000 1.050 23 N CA 0.982 54.106 53.050 0.124 0.000 0.906 23 N CB 0.103 38.599 38.487 0.015 0.000 0.968 23 N HN 0.346 nan 8.380 nan 0.000 0.445 24 K N 1.182 121.642 120.400 0.100 0.000 2.954 24 K HA 0.297 4.423 4.320 -0.324 0.000 0.171 24 K C -2.697 173.900 176.600 -0.004 0.000 1.079 24 K CA -1.389 54.934 56.287 0.059 0.000 0.908 24 K CB 2.047 34.564 32.500 0.027 0.000 1.142 24 K HN 0.079 nan 8.250 nan 0.000 0.613 25 P HA 0.124 nan 4.420 nan 0.000 0.275 25 P C 0.066 177.239 177.300 -0.212 0.000 1.227 25 P CA -0.373 62.642 63.100 -0.142 0.000 0.781 25 P CB 1.266 32.822 31.700 -0.240 0.000 0.906 26 V N 5.281 125.086 119.914 -0.181 0.000 2.432 26 V HA 0.276 4.202 4.120 -0.324 0.000 0.275 26 V C 0.684 176.603 176.094 -0.292 0.000 1.043 26 V CA -0.225 61.905 62.300 -0.284 0.000 0.925 26 V CB 0.700 32.285 31.823 -0.397 0.000 0.985 26 V HN 0.496 nan 8.190 nan 0.000 0.466 27 I N 5.620 125.971 120.570 -0.365 0.000 2.498 27 I HA 0.546 4.522 4.170 -0.324 0.000 0.290 27 I C -0.905 175.168 176.117 -0.073 0.000 1.032 27 I CA -0.368 60.773 61.300 -0.264 0.000 1.073 27 I CB 1.564 39.272 38.000 -0.486 0.000 1.251 27 I HN 0.368 nan 8.210 nan 0.000 0.426 28 L N 8.172 129.417 121.223 0.038 0.000 2.399 28 L HA 0.504 4.649 4.340 -0.324 0.000 0.266 28 L C -0.752 176.307 176.870 0.314 0.000 1.114 28 L CA -0.246 54.649 54.840 0.091 0.000 0.804 28 L CB 0.908 42.973 42.059 0.009 0.000 1.146 28 L HN 0.628 nan 8.230 nan 0.000 0.451 29 Y N -0.036 120.340 120.300 0.126 0.000 2.544 29 Y HA 0.814 5.170 4.550 -0.324 0.000 0.342 29 Y C -1.292 174.649 175.900 0.069 0.000 1.062 29 Y CA -1.405 56.787 58.100 0.153 0.000 1.023 29 Y CB 1.134 39.718 38.460 0.207 0.000 1.308 29 Y HN 0.368 nan 8.280 nan 0.000 0.457 30 I N 3.720 124.356 120.570 0.111 0.000 2.447 30 I HA 0.298 4.274 4.170 -0.324 0.000 0.287 30 I C 0.543 176.750 176.117 0.151 0.000 1.023 30 I CA -0.543 60.777 61.300 0.032 0.000 1.083 30 I CB 2.110 40.155 38.000 0.074 0.000 1.245 30 I HN 0.861 nan 8.210 nan 0.000 0.434 31 E N 4.246 124.532 120.200 0.142 0.000 2.049 31 E HA -0.020 4.136 4.350 -0.324 0.000 0.198 31 E C 1.034 177.711 176.600 0.129 0.000 1.007 31 E CA 1.105 57.612 56.400 0.180 0.000 0.809 31 E CB 0.008 29.802 29.700 0.157 0.000 0.749 31 E HN 0.917 nan 8.360 nan 0.000 0.450 32 G N 0.992 109.854 108.800 0.104 0.000 2.661 32 G HA2 -0.136 3.629 3.960 -0.324 0.000 0.685 32 G HA3 -0.136 3.629 3.960 -0.324 0.000 0.685 32 G C -1.243 173.700 174.900 0.072 0.000 1.298 32 G CA -0.367 44.784 45.100 0.084 0.000 0.855 32 G HN 0.067 nan 8.290 nan 0.000 0.560 33 D N 0.308 120.743 120.400 0.058 0.000 2.388 33 D HA 0.615 5.061 4.640 -0.324 0.000 0.254 33 D C 1.482 177.811 176.300 0.047 0.000 1.111 33 D CA 1.290 55.317 54.000 0.045 0.000 0.993 33 D CB 0.817 41.636 40.800 0.031 0.000 1.118 33 D HN 1.766 nan 8.370 nan 0.000 0.502 34 G N 1.012 109.834 108.800 0.036 0.000 2.620 34 G HA2 -0.354 3.412 3.960 -0.324 0.000 0.315 34 G HA3 -0.354 3.412 3.960 -0.324 0.000 0.315 34 G C 1.104 176.033 174.900 0.049 0.000 1.179 34 G CA 0.718 45.839 45.100 0.035 0.000 0.971 34 G HN 0.703 nan 8.290 nan 0.000 0.544 35 I N 0.899 121.503 120.570 0.056 0.000 3.444 35 I HA 0.375 4.351 4.170 -0.324 0.000 0.287 35 I C 2.294 178.462 176.117 0.084 0.000 1.302 35 I CA 1.226 62.567 61.300 0.068 0.000 1.368 35 I CB -0.853 37.182 38.000 0.060 0.000 1.048 35 I HN 0.582 nan 8.210 nan 0.000 0.487 36 G N 2.905 111.757 108.800 0.088 0.000 2.586 36 G HA2 -0.196 3.570 3.960 -0.324 0.000 0.218 36 G HA3 -0.196 3.570 3.960 -0.324 0.000 0.218 36 G C -0.418 174.537 174.900 0.091 0.000 1.216 36 G CA 1.295 46.454 45.100 0.098 0.000 0.786 36 G HN 0.372 nan 8.290 nan 0.000 0.583 37 P HA -0.111 nan 4.420 nan 0.000 0.215 37 P C 1.708 179.041 177.300 0.055 0.000 1.163 37 P CA 1.796 64.942 63.100 0.076 0.000 0.894 37 P CB -0.080 31.659 31.700 0.064 0.000 0.791 38 E N -0.424 119.805 120.200 0.050 0.000 2.017 38 E HA -0.173 3.983 4.350 -0.324 0.000 0.193 38 E C 2.120 178.743 176.600 0.037 0.000 0.997 38 E CA 1.460 57.883 56.400 0.038 0.000 0.804 38 E CB -0.824 28.901 29.700 0.042 0.000 0.757 38 E HN 0.348 nan 8.360 nan 0.000 0.448 39 I N -0.433 120.173 120.570 0.060 0.000 2.361 39 I HA -0.170 3.806 4.170 -0.324 0.000 0.251 39 I C 1.939 178.080 176.117 0.040 0.000 1.133 39 I CA 1.385 62.728 61.300 0.072 0.000 1.413 39 I CB -0.423 37.650 38.000 0.121 0.000 1.073 39 I HN -0.071 nan 8.210 nan 0.000 0.424 40 T N 1.208 115.779 114.554 0.029 0.000 2.896 40 T HA -0.005 4.151 4.350 -0.324 0.000 0.263 40 T C 1.769 176.379 174.700 -0.150 0.000 1.050 40 T CA 1.175 63.259 62.100 -0.027 0.000 1.140 40 T CB -0.339 68.557 68.868 0.047 0.000 0.877 40 T HN 0.412 nan 8.240 nan 0.000 0.457 41 N N 1.510 120.144 118.700 -0.109 0.000 2.188 41 N HA 0.027 4.572 4.740 -0.324 0.000 0.184 41 N C 2.198 177.606 175.510 -0.170 0.000 1.018 41 N CA 1.156 54.098 53.050 -0.180 0.000 0.858 41 N CB -0.352 38.081 38.487 -0.089 0.000 0.989 41 N HN 0.392 nan 8.380 nan 0.000 0.426 42 A N 1.407 124.174 122.820 -0.088 0.000 1.883 42 A HA -0.047 4.079 4.320 -0.324 0.000 0.217 42 A C 2.430 179.957 177.584 -0.095 0.000 1.186 42 A CA 2.016 54.015 52.037 -0.063 0.000 0.624 42 A CB -0.898 18.104 19.000 0.004 0.000 0.822 42 A HN 0.310 nan 8.150 nan 0.000 0.444 43 A N 0.016 122.778 122.820 -0.097 0.000 1.892 43 A HA -0.170 3.955 4.320 -0.324 0.000 0.218 43 A C 2.130 179.595 177.584 -0.198 0.000 1.188 43 A CA 1.732 53.706 52.037 -0.104 0.000 0.631 43 A CB -0.722 18.229 19.000 -0.082 0.000 0.822 43 A HN 0.521 nan 8.150 nan 0.000 0.447 44 I N -0.802 119.525 120.570 -0.405 0.000 2.361 44 I HA -0.274 3.702 4.170 -0.324 0.000 0.251 44 I C 2.518 178.436 176.117 -0.332 0.000 1.133 44 I CA 1.502 62.406 61.300 -0.660 0.000 1.413 44 I CB -0.270 37.030 38.000 -1.168 0.000 1.073 44 I HN 0.345 nan 8.210 nan 0.000 0.424 45 K N 0.366 120.631 120.400 -0.225 0.000 2.025 45 K HA -0.144 3.981 4.320 -0.324 0.000 0.207 45 K C 2.133 178.693 176.600 -0.067 0.000 1.049 45 K CA 1.791 58.004 56.287 -0.123 0.000 0.933 45 K CB -0.221 32.219 32.500 -0.101 0.000 0.714 45 K HN 0.335 nan 8.250 nan 0.000 0.438 46 V N -0.329 119.543 119.914 -0.069 0.000 2.453 46 V HA -0.153 3.772 4.120 -0.324 0.000 0.247 46 V C 2.004 178.102 176.094 0.007 0.000 1.048 46 V CA 1.361 63.635 62.300 -0.044 0.000 1.049 46 V CB -0.537 31.248 31.823 -0.063 0.000 0.672 46 V HN 0.272 nan 8.190 nan 0.000 0.457 47 I N 0.944 121.536 120.570 0.037 0.000 2.315 47 I HA -0.174 3.802 4.170 -0.324 0.000 0.248 47 I C 2.428 178.658 176.117 0.187 0.000 1.117 47 I CA 1.833 63.213 61.300 0.133 0.000 1.404 47 I CB -0.288 37.846 38.000 0.225 0.000 1.071 47 I HN 0.338 nan 8.210 nan 0.000 0.419 48 N N 1.188 119.999 118.700 0.185 0.000 2.188 48 N HA -0.198 4.348 4.740 -0.324 0.000 0.184 48 N C 1.800 177.377 175.510 0.112 0.000 1.018 48 N CA 0.870 54.043 53.050 0.205 0.000 0.858 48 N CB -0.350 38.249 38.487 0.187 0.000 0.989 48 N HN 0.304 nan 8.380 nan 0.000 0.426 49 K N 1.325 121.759 120.400 0.057 0.000 2.057 49 K HA 0.052 4.178 4.320 -0.324 0.000 0.206 49 K C 1.736 178.336 176.600 -0.000 0.000 1.050 49 K CA 0.913 57.210 56.287 0.016 0.000 0.935 49 K CB -0.210 32.284 32.500 -0.011 0.000 0.715 49 K HN 0.096 nan 8.250 nan 0.000 0.439 50 A N 0.647 123.474 122.820 0.012 0.000 1.898 50 A HA -0.100 4.026 4.320 -0.324 0.000 0.216 50 A C 2.420 179.969 177.584 -0.058 0.000 1.181 50 A CA 1.548 53.572 52.037 -0.021 0.000 0.620 50 A CB -0.598 18.412 19.000 0.016 0.000 0.819 50 A HN 0.106 nan 8.150 nan 0.000 0.442 51 V N 0.125 120.070 119.914 0.052 0.000 2.233 51 V HA -0.289 3.636 4.120 -0.324 0.000 0.247 51 V C 2.586 178.663 176.094 -0.028 0.000 1.050 51 V CA 2.346 64.700 62.300 0.090 0.000 1.010 51 V CB -0.741 31.255 31.823 0.288 0.000 0.637 51 V HN 0.736 nan 8.190 nan 0.000 0.444 52 E N -0.076 120.134 120.200 0.017 0.000 2.085 52 E HA -0.274 3.881 4.350 -0.324 0.000 0.194 52 E C 2.457 179.020 176.600 -0.063 0.000 0.994 52 E CA 1.160 57.558 56.400 -0.003 0.000 0.801 52 E CB -0.100 29.610 29.700 0.017 0.000 0.743 52 E HN 0.253 nan 8.360 nan 0.000 0.453 53 R N -0.205 120.240 120.500 -0.091 0.000 2.189 53 R HA -0.004 4.142 4.340 -0.324 0.000 0.218 53 R C 1.715 177.905 176.300 -0.183 0.000 1.074 53 R CA 1.020 57.055 56.100 -0.108 0.000 0.991 53 R CB -0.081 30.166 30.300 -0.089 0.000 0.883 53 R HN 0.213 nan 8.270 nan 0.000 0.457 54 A N -1.067 121.551 122.820 -0.336 0.000 1.973 54 A HA 0.014 4.140 4.320 -0.324 0.000 0.210 54 A C 0.696 177.942 177.584 -0.563 0.000 1.200 54 A CA 0.470 52.168 52.037 -0.565 0.000 0.707 54 A CB 0.071 18.492 19.000 -0.964 0.000 0.862 54 A HN 0.289 nan 8.150 nan 0.000 0.461 55 Y N -0.710 119.504 120.300 -0.143 0.000 2.557 55 Y HA 0.433 4.789 4.550 -0.324 0.000 0.247 55 Y C 1.720 177.545 175.900 -0.126 0.000 1.164 55 Y CA -0.516 57.475 58.100 -0.181 0.000 1.218 55 Y CB -0.391 37.873 38.460 -0.326 0.000 1.210 55 Y HN 0.441 nan 8.280 nan 0.000 0.529 56 G N 1.582 110.383 108.800 0.002 0.000 2.602 56 G HA2 -0.400 3.366 3.960 -0.324 0.000 0.310 56 G HA3 -0.400 3.366 3.960 -0.324 0.000 0.310 56 G C 1.203 176.114 174.900 0.018 0.000 1.183 56 G CA 1.220 46.321 45.100 0.002 0.000 0.979 56 G HN 0.734 nan 8.290 nan 0.000 0.545 57 S N -0.353 115.356 115.700 0.015 0.000 2.730 57 S HA 0.439 4.715 4.470 -0.324 0.000 0.244 57 S C 1.899 176.503 174.600 0.006 0.000 1.022 57 S CA 1.067 59.278 58.200 0.018 0.000 1.014 57 S CB 0.471 63.680 63.200 0.014 0.000 0.963 57 S HN 1.975 nan 8.310 nan 0.000 0.540 58 S N 1.455 117.152 115.700 -0.006 0.000 2.481 58 S HA 0.207 4.483 4.470 -0.324 0.000 0.231 58 S C 0.678 175.229 174.600 -0.083 0.000 0.996 58 S CA -0.324 57.851 58.200 -0.041 0.000 0.942 58 S CB -0.256 62.910 63.200 -0.057 0.000 0.768 58 S HN 0.616 nan 8.310 nan 0.000 0.520 59 R N 0.642 121.096 120.500 -0.077 0.000 2.626 59 R HA 0.577 4.723 4.340 -0.324 0.000 0.274 59 R C -1.667 174.663 176.300 0.050 0.000 1.031 59 R CA -0.613 55.425 56.100 -0.102 0.000 0.898 59 R CB 1.775 31.740 30.300 -0.557 0.000 1.222 59 R HN 0.574 nan 8.270 nan 0.000 0.455 60 E N 2.479 122.771 120.200 0.154 0.000 2.347 60 E HA 0.281 4.436 4.350 -0.324 0.000 0.285 60 E C -1.183 175.501 176.600 0.141 0.000 0.925 60 E CA -0.755 55.745 56.400 0.166 0.000 0.779 60 E CB 1.370 31.131 29.700 0.101 0.000 1.233 60 E HN 0.406 nan 8.360 nan 0.000 0.414 61 I N 2.723 123.343 120.570 0.084 0.000 2.496 61 I HA 0.127 4.103 4.170 -0.324 0.000 0.285 61 I C 0.072 175.997 176.117 -0.320 0.000 1.080 61 I CA -0.544 60.616 61.300 -0.233 0.000 1.404 61 I CB 0.677 38.357 38.000 -0.534 0.000 1.403 61 I HN 0.350 nan 8.210 nan 0.000 0.539 62 K N 6.902 127.105 120.400 -0.329 0.000 2.229 62 K HA 0.174 4.300 4.320 -0.324 0.000 0.247 62 K C -1.082 175.368 176.600 -0.251 0.000 1.117 62 K CA -0.367 55.800 56.287 -0.200 0.000 1.036 62 K CB 0.017 32.439 32.500 -0.130 0.000 1.654 62 K HN 0.357 nan 8.250 nan 0.000 0.405 63 W N 3.323 124.615 121.300 -0.014 0.000 2.295 63 W HA 0.042 4.508 4.660 -0.324 0.000 0.335 63 W C 0.680 177.228 176.519 0.049 0.000 1.351 63 W CA -0.274 57.089 57.345 0.030 0.000 1.273 63 W CB 0.439 29.906 29.460 0.011 0.000 1.214 63 W HN 0.163 nan 8.180 nan 0.000 0.563 64 L N 4.913 126.310 121.223 0.290 0.000 2.446 64 L HA 0.307 4.453 4.340 -0.324 0.000 0.268 64 L C -0.457 176.346 176.870 -0.112 0.000 0.975 64 L CA -0.653 54.201 54.840 0.023 0.000 0.848 64 L CB 1.322 43.239 42.059 -0.238 0.000 1.225 64 L HN 0.565 nan 8.230 nan 0.000 0.410 65 E N 4.653 124.685 120.200 -0.280 0.000 2.257 65 E HA 0.429 4.584 4.350 -0.324 0.000 0.278 65 E C -0.954 175.145 176.600 -0.835 0.000 1.049 65 E CA -0.479 55.446 56.400 -0.791 0.000 0.876 65 E CB 1.275 30.560 29.700 -0.691 0.000 1.035 65 E HN 0.508 nan 8.360 nan 0.000 0.419 66 V N 2.291 121.724 119.914 -0.802 0.000 2.769 66 V HA 0.483 4.409 4.120 -0.324 0.000 0.312 66 V C -0.875 174.990 176.094 -0.381 0.000 1.058 66 V CA -0.915 60.820 62.300 -0.942 0.000 0.952 66 V CB 0.914 32.341 31.823 -0.659 0.000 1.019 66 V HN 0.598 nan 8.190 nan 0.000 0.445 67 Y N 2.197 122.520 120.300 0.038 0.000 2.308 67 Y HA 0.805 5.160 4.550 -0.324 0.000 0.329 67 Y C 0.584 176.551 175.900 0.113 0.000 1.111 67 Y CA -0.141 58.020 58.100 0.101 0.000 1.179 67 Y CB 1.869 40.434 38.460 0.175 0.000 1.201 67 Y HN 1.130 nan 8.280 nan 0.000 0.483 68 A N 1.933 124.921 122.820 0.280 0.000 2.605 68 A HA 0.755 4.881 4.320 -0.324 0.000 0.294 68 A C -0.085 177.599 177.584 0.167 0.000 1.062 68 A CA -0.111 52.079 52.037 0.255 0.000 0.682 68 A CB 1.025 20.194 19.000 0.283 0.000 1.278 68 A HN 1.347 nan 8.150 nan 0.000 0.410 69 G N 0.951 109.834 108.800 0.139 0.000 2.542 69 G HA2 -0.116 3.650 3.960 -0.324 0.000 0.235 69 G HA3 -0.116 3.650 3.960 -0.324 0.000 0.235 69 G C 0.664 175.599 174.900 0.059 0.000 1.286 69 G CA 0.965 46.112 45.100 0.077 0.000 0.904 69 G HN 1.875 nan 8.290 nan 0.000 0.577 70 E N 0.498 120.719 120.200 0.035 0.000 2.268 70 E HA -0.095 4.060 4.350 -0.324 0.000 0.195 70 E C 2.144 178.743 176.600 -0.001 0.000 0.995 70 E CA 1.372 57.782 56.400 0.017 0.000 0.836 70 E CB -0.059 29.647 29.700 0.010 0.000 0.763 70 E HN 0.609 nan 8.360 nan 0.000 0.491 71 K N 1.206 121.605 120.400 -0.001 0.000 2.025 71 K HA -0.075 4.050 4.320 -0.324 0.000 0.207 71 K C 2.235 178.769 176.600 -0.110 0.000 1.049 71 K CA 1.182 57.432 56.287 -0.062 0.000 0.933 71 K CB -0.210 32.258 32.500 -0.053 0.000 0.714 71 K HN 0.164 nan 8.250 nan 0.000 0.438 72 A N 1.229 124.039 122.820 -0.017 0.000 2.019 72 A HA -0.156 3.969 4.320 -0.324 0.000 0.219 72 A C 1.776 179.362 177.584 0.004 0.000 1.164 72 A CA 1.435 53.486 52.037 0.023 0.000 0.644 72 A CB -0.355 18.744 19.000 0.165 0.000 0.805 72 A HN 0.444 nan 8.150 nan 0.000 0.449 73 E N -0.179 120.025 120.200 0.006 0.000 2.107 73 E HA -0.150 4.005 4.350 -0.324 0.000 0.191 73 E C 1.920 178.507 176.600 -0.022 0.000 0.982 73 E CA 1.162 57.564 56.400 0.004 0.000 0.809 73 E CB -0.083 29.623 29.700 0.010 0.000 0.756 73 E HN 0.644 nan 8.360 nan 0.000 0.459 74 K N 0.148 120.521 120.400 -0.046 0.000 2.076 74 K HA -0.068 4.057 4.320 -0.324 0.000 0.204 74 K C 1.983 178.537 176.600 -0.077 0.000 1.051 74 K CA 0.653 56.906 56.287 -0.056 0.000 0.949 74 K CB 0.069 32.532 32.500 -0.061 0.000 0.726 74 K HN -0.025 nan 8.250 nan 0.000 0.443 75 L N 0.070 121.215 121.223 -0.131 0.000 2.131 75 L HA -0.061 4.085 4.340 -0.324 0.000 0.206 75 L C 1.732 178.552 176.870 -0.083 0.000 1.087 75 L CA 1.357 56.105 54.840 -0.154 0.000 0.767 75 L CB 0.130 41.979 42.059 -0.350 0.000 0.917 75 L HN -0.073 nan 8.230 nan 0.000 0.441 76 V N -1.913 117.971 119.914 -0.050 0.000 3.432 76 V HA 0.207 4.133 4.120 -0.324 0.000 0.298 76 V C 0.262 176.356 176.094 -0.001 0.000 1.464 76 V CA 0.060 62.354 62.300 -0.010 0.000 1.046 76 V CB -0.370 31.470 31.823 0.029 0.000 0.887 76 V HN 0.470 nan 8.190 nan 0.000 0.441 77 N N 1.208 119.906 118.700 -0.003 0.000 2.741 77 N HA -0.182 4.364 4.740 -0.324 0.000 0.250 77 N C -0.490 175.033 175.510 0.021 0.000 1.115 77 N CA 1.283 54.336 53.050 0.005 0.000 0.724 77 N CB -0.718 37.769 38.487 0.000 0.000 1.090 77 N HN 0.619 nan 8.380 nan 0.000 0.558 78 D N -1.125 119.297 120.400 0.037 0.000 2.890 78 D HA 0.319 4.765 4.640 -0.324 0.000 0.233 78 D C 0.573 176.932 176.300 0.098 0.000 1.306 78 D CA -0.618 53.419 54.000 0.062 0.000 0.929 78 D CB 1.286 42.119 40.800 0.056 0.000 1.512 78 D HN -0.027 nan 8.370 nan 0.000 0.568 79 R N 2.202 122.769 120.500 0.112 0.000 2.193 79 R HA 0.024 4.170 4.340 -0.324 0.000 0.229 79 R C 0.249 176.708 176.300 0.265 0.000 1.110 79 R CA 1.076 57.260 56.100 0.139 0.000 0.988 79 R CB -0.102 30.257 30.300 0.099 0.000 0.871 79 R HN 0.310 nan 8.270 nan 0.000 0.458 80 F N 1.247 121.226 119.950 0.047 0.000 2.946 80 F HA 0.363 4.695 4.527 -0.324 0.000 0.375 80 F C -2.575 173.263 175.800 0.062 0.000 1.320 80 F CA -3.185 54.848 58.000 0.056 0.000 1.181 80 F CB 0.999 40.021 39.000 0.036 0.000 2.051 80 F HN -0.115 nan 8.300 nan 0.000 0.622 81 P HA 0.002 nan 4.420 nan 0.000 0.266 81 P C 0.363 177.565 177.300 -0.162 0.000 1.193 81 P CA 0.153 63.227 63.100 -0.044 0.000 0.770 81 P CB 1.135 32.853 31.700 0.030 0.000 0.836 82 K N 1.819 122.156 120.400 -0.106 0.000 2.103 82 K HA -0.200 3.925 4.320 -0.324 0.000 0.207 82 K C 1.790 178.333 176.600 -0.095 0.000 1.048 82 K CA 1.819 58.038 56.287 -0.114 0.000 0.930 82 K CB -0.112 32.352 32.500 -0.059 0.000 0.716 82 K HN 0.458 nan 8.250 nan 0.000 0.444 83 E N 0.050 120.220 120.200 -0.051 0.000 2.077 83 E HA -0.122 4.033 4.350 -0.324 0.000 0.193 83 E C 1.970 178.648 176.600 0.130 0.000 0.989 83 E CA 1.426 57.834 56.400 0.014 0.000 0.800 83 E CB -0.262 29.389 29.700 -0.082 0.000 0.746 83 E HN 0.155 nan 8.360 nan 0.000 0.452 84 T N 0.830 115.447 114.554 0.106 0.000 2.833 84 T HA -0.158 3.998 4.350 -0.324 0.000 0.269 84 T C 1.618 176.219 174.700 -0.166 0.000 1.054 84 T CA 1.196 63.313 62.100 0.029 0.000 1.135 84 T CB -0.142 68.701 68.868 -0.042 0.000 0.869 84 T HN 0.228 nan 8.240 nan 0.000 0.466 85 Q N 0.367 119.991 119.800 -0.294 0.000 2.172 85 Q HA -0.055 4.091 4.340 -0.324 0.000 0.200 85 Q C 2.414 178.355 176.000 -0.098 0.000 0.964 85 Q CA 0.843 56.479 55.803 -0.278 0.000 0.855 85 Q CB -0.030 28.513 28.738 -0.325 0.000 0.918 85 Q HN 0.606 nan 8.270 nan 0.000 0.444 86 E N 0.659 120.827 120.200 -0.054 0.000 2.051 86 E HA -0.168 3.988 4.350 -0.324 0.000 0.192 86 E C 2.011 178.615 176.600 0.007 0.000 0.991 86 E CA 0.988 57.379 56.400 -0.015 0.000 0.799 86 E CB -0.123 29.582 29.700 0.009 0.000 0.748 86 E HN 0.366 nan 8.360 nan 0.000 0.449 87 M N 0.597 120.222 119.600 0.042 0.000 2.159 87 M HA -0.088 4.198 4.480 -0.324 0.000 0.263 87 M C 2.488 178.842 176.300 0.088 0.000 1.063 87 M CA 1.102 56.460 55.300 0.098 0.000 1.110 87 M CB -0.992 31.617 32.600 0.015 0.000 1.374 87 M HN 0.096 nan 8.290 nan 0.000 0.411 88 L N -0.508 120.731 121.223 0.027 0.000 2.056 88 L HA -0.175 3.971 4.340 -0.324 0.000 0.207 88 L C 2.360 179.252 176.870 0.036 0.000 1.078 88 L CA 0.919 55.787 54.840 0.046 0.000 0.749 88 L CB -0.550 41.540 42.059 0.052 0.000 0.901 88 L HN 0.225 nan 8.230 nan 0.000 0.433 89 L N -0.437 120.789 121.223 0.006 0.000 2.291 89 L HA -0.175 3.971 4.340 -0.324 0.000 0.214 89 L C 2.548 179.391 176.870 -0.046 0.000 1.120 89 L CA 0.960 55.793 54.840 -0.011 0.000 0.799 89 L CB -0.268 41.780 42.059 -0.018 0.000 0.925 89 L HN 0.252 nan 8.230 nan 0.000 0.446 90 K N -0.544 119.805 120.400 -0.086 0.000 2.078 90 K HA -0.095 4.031 4.320 -0.324 0.000 0.203 90 K C 1.946 178.318 176.600 -0.380 0.000 1.043 90 K CA 1.020 57.154 56.287 -0.256 0.000 0.960 90 K CB -0.049 32.236 32.500 -0.358 0.000 0.761 90 K HN 0.102 nan 8.250 nan 0.000 0.448 91 Y N 0.406 120.685 120.300 -0.035 0.000 2.490 91 Y HA 0.162 4.517 4.550 -0.324 0.000 0.285 91 Y C 0.692 176.575 175.900 -0.029 0.000 1.117 91 Y CA 0.501 58.563 58.100 -0.062 0.000 1.262 91 Y CB 0.408 38.822 38.460 -0.077 0.000 1.043 91 Y HN 0.061 nan 8.280 nan 0.000 0.553 92 R N -0.686 119.893 120.500 0.130 0.000 4.024 92 R HA -0.175 3.971 4.340 -0.324 0.000 0.391 92 R C -0.646 175.740 176.300 0.143 0.000 1.157 92 R CA 0.895 57.080 56.100 0.141 0.000 1.215 92 R CB -2.775 27.672 30.300 0.245 0.000 1.738 92 R HN 0.217 nan 8.270 nan 0.000 0.566 93 V N -2.684 117.314 119.914 0.140 0.000 2.638 93 V HA 0.849 4.774 4.120 -0.324 0.000 0.306 93 V C 0.032 176.258 176.094 0.220 0.000 1.052 93 V CA -0.919 61.506 62.300 0.209 0.000 0.885 93 V CB 2.544 34.480 31.823 0.188 0.000 0.999 93 V HN -0.032 nan 8.190 nan 0.000 0.424 94 V N 3.696 123.788 119.914 0.297 0.000 2.971 94 V HA 0.659 4.585 4.120 -0.324 0.000 0.309 94 V C -0.815 175.513 176.094 0.389 0.000 1.130 94 V CA -0.702 61.766 62.300 0.280 0.000 0.964 94 V CB 1.908 33.842 31.823 0.185 0.000 1.029 94 V HN 0.995 nan 8.190 nan 0.000 0.427 95 L N 3.997 125.450 121.223 0.382 0.000 2.294 95 L HA 0.702 4.847 4.340 -0.324 0.000 0.283 95 L C -0.183 176.859 176.870 0.285 0.000 1.015 95 L CA -0.104 54.954 54.840 0.364 0.000 0.831 95 L CB 0.859 43.154 42.059 0.394 0.000 1.217 95 L HN 0.884 nan 8.230 nan 0.000 0.420 96 K N 3.762 124.281 120.400 0.199 0.000 2.426 96 K HA 0.832 4.958 4.320 -0.324 0.000 0.254 96 K C 0.105 176.762 176.600 0.096 0.000 0.936 96 K CA -0.677 55.697 56.287 0.145 0.000 0.801 96 K CB 1.564 34.127 32.500 0.105 0.000 1.139 96 K HN 0.561 nan 8.250 nan 0.000 0.424 97 G N 2.691 111.554 108.800 0.105 0.000 2.647 97 G HA2 0.209 3.975 3.960 -0.324 0.000 0.271 97 G HA3 0.209 3.975 3.960 -0.324 0.000 0.271 97 G C -2.153 172.777 174.900 0.050 0.000 1.300 97 G CA -1.173 43.975 45.100 0.079 0.000 0.997 97 G HN 0.590 nan 8.290 nan 0.000 0.533 98 P HA 0.305 nan 4.420 nan 0.000 0.274 98 P C -0.859 176.466 177.300 0.041 0.000 1.231 98 P CA -0.037 63.088 63.100 0.042 0.000 0.790 98 P CB 1.249 33.012 31.700 0.105 0.000 0.951 99 L N 1.561 122.795 121.223 0.018 0.000 2.436 99 L HA 0.337 4.483 4.340 -0.324 0.000 0.268 99 L C 0.892 177.761 176.870 -0.002 0.000 0.974 99 L CA -0.938 53.909 54.840 0.012 0.000 0.826 99 L CB 2.093 44.154 42.059 0.003 0.000 1.291 99 L HN 0.297 nan 8.230 nan 0.000 0.406 100 E N 1.135 121.336 120.200 0.000 0.000 2.569 100 E HA 0.229 4.384 4.350 -0.324 0.000 0.258 100 E C -0.192 176.396 176.600 -0.020 0.000 1.390 100 E CA 0.075 56.469 56.400 -0.009 0.000 1.049 100 E CB 0.609 30.306 29.700 -0.005 0.000 1.009 100 E HN 0.592 nan 8.360 nan 0.000 0.580 101 T N -0.652 113.888 114.554 -0.023 0.000 3.066 101 T HA 0.373 4.528 4.350 -0.324 0.000 0.318 101 T C -1.693 172.992 174.700 -0.025 0.000 0.979 101 T CA -1.341 60.741 62.100 -0.031 0.000 1.025 101 T CB 0.973 69.817 68.868 -0.040 0.000 1.002 101 T HN 0.258 nan 8.240 nan 0.000 0.453 110 V N 0.464 120.218 119.914 -0.267 0.000 2.719 110 V HA -0.001 3.924 4.120 -0.324 0.000 0.252 110 V C 1.787 177.670 176.094 -0.351 0.000 1.065 110 V CA 1.708 63.719 62.300 -0.483 0.000 1.086 110 V CB -1.166 30.417 31.823 -0.401 0.000 0.700 110 V HN 0.804 nan 8.190 nan 0.000 0.467 111 N N 1.128 119.708 118.700 -0.201 0.000 2.069 111 N HA -0.163 4.383 4.740 -0.324 0.000 0.191 111 N C 1.968 177.387 175.510 -0.151 0.000 1.031 111 N CA 1.975 54.937 53.050 -0.145 0.000 0.852 111 N CB -0.418 38.004 38.487 -0.110 0.000 1.018 111 N HN 0.536 nan 8.380 nan 0.000 0.423 112 V N 1.484 121.306 119.914 -0.154 0.000 2.453 112 V HA -0.060 3.866 4.120 -0.324 0.000 0.247 112 V C 2.313 178.325 176.094 -0.137 0.000 1.048 112 V CA 1.752 63.976 62.300 -0.127 0.000 1.049 112 V CB -0.605 31.153 31.823 -0.108 0.000 0.672 112 V HN 0.270 nan 8.190 nan 0.000 0.457 113 A N 0.197 122.884 122.820 -0.221 0.000 1.877 113 A HA -0.158 3.967 4.320 -0.324 0.000 0.216 113 A C 2.133 179.649 177.584 -0.114 0.000 1.186 113 A CA 2.209 54.111 52.037 -0.225 0.000 0.620 113 A CB -0.675 18.005 19.000 -0.533 0.000 0.822 113 A HN 0.577 nan 8.150 nan 0.000 0.443 114 I N -0.987 119.498 120.570 -0.141 0.000 2.208 114 I HA -0.290 3.685 4.170 -0.324 0.000 0.245 114 I C 2.791 178.895 176.117 -0.020 0.000 1.097 114 I CA 1.478 62.787 61.300 0.015 0.000 1.363 114 I CB -0.301 37.709 38.000 0.018 0.000 1.051 114 I HN 0.291 nan 8.210 nan 0.000 0.413 115 R N 0.299 120.758 120.500 -0.068 0.000 2.091 115 R HA -0.181 3.964 4.340 -0.324 0.000 0.238 115 R C 2.333 178.609 176.300 -0.040 0.000 1.136 115 R CA 1.449 57.504 56.100 -0.075 0.000 0.959 115 R CB -0.353 29.895 30.300 -0.086 0.000 0.856 115 R HN 0.338 nan 8.270 nan 0.000 0.437 116 L N 0.626 121.834 121.223 -0.025 0.000 2.005 116 L HA -0.178 3.968 4.340 -0.324 0.000 0.207 116 L C 2.630 179.511 176.870 0.019 0.000 1.072 116 L CA 1.439 56.279 54.840 0.001 0.000 0.744 116 L CB -0.228 41.831 42.059 -0.001 0.000 0.895 116 L HN 0.290 nan 8.230 nan 0.000 0.433 117 M N -1.803 117.821 119.600 0.040 0.000 2.374 117 M HA -0.161 4.125 4.480 -0.324 0.000 0.264 117 M C 1.496 177.812 176.300 0.027 0.000 1.067 117 M CA 1.778 57.110 55.300 0.053 0.000 1.103 117 M CB -0.284 32.379 32.600 0.105 0.000 1.402 117 M HN 0.171 nan 8.290 nan 0.000 0.444 118 L N 0.208 121.435 121.223 0.006 0.000 2.640 118 L HA 0.169 4.315 4.340 -0.324 0.000 0.230 118 L C -0.040 176.803 176.870 -0.045 0.000 1.123 118 L CA -0.136 54.686 54.840 -0.031 0.000 0.900 118 L CB -0.086 41.944 42.059 -0.048 0.000 1.146 118 L HN 0.328 nan 8.230 nan 0.000 0.484 119 D N 1.570 121.963 120.400 -0.012 0.000 2.697 119 D HA -0.205 4.240 4.640 -0.324 0.000 0.238 119 D C -0.354 175.948 176.300 0.003 0.000 1.152 119 D CA 0.535 54.553 54.000 0.030 0.000 0.666 119 D CB -0.968 39.874 40.800 0.070 0.000 1.037 119 D HN 0.178 nan 8.370 nan 0.000 0.423 120 L N 1.822 122.989 121.223 -0.093 0.000 2.334 120 L HA 0.196 4.341 4.340 -0.324 0.000 0.286 120 L C 1.426 178.173 176.870 -0.205 0.000 1.108 120 L CA -0.774 53.917 54.840 -0.247 0.000 0.875 120 L CB -0.106 41.795 42.059 -0.262 0.000 1.246 120 L HN 0.242 nan 8.230 nan 0.000 0.439 121 Y N 1.112 121.363 120.300 -0.082 0.000 2.523 121 Y HA 0.487 4.852 4.550 -0.310 0.000 0.279 121 Y C 0.835 176.697 175.900 -0.064 0.000 1.139 121 Y CA -0.597 57.468 58.100 -0.058 0.000 1.296 121 Y CB -0.025 38.411 38.460 -0.041 0.000 1.045 121 Y HN 0.397 nan 8.280 nan 0.000 0.538 122 A N 1.717 124.238 122.820 -0.499 0.000 2.258 122 A HA 0.406 4.532 4.320 -0.324 0.000 0.316 122 A C -0.976 176.400 177.584 -0.346 0.000 1.279 122 A CA -0.732 51.122 52.037 -0.305 0.000 0.876 122 A CB 0.134 18.919 19.000 -0.358 0.000 1.170 122 A HN 0.348 nan 8.150 nan 0.000 0.520 123 N N 2.606 121.160 118.700 -0.244 0.000 2.439 123 N HA 0.437 4.983 4.740 -0.324 0.000 0.249 123 N C -1.246 174.053 175.510 -0.351 0.000 1.003 123 N CA -0.313 52.571 53.050 -0.276 0.000 0.942 123 N CB 0.223 38.608 38.487 -0.169 0.000 1.115 123 N HN 0.428 nan 8.380 nan 0.000 0.505 124 I N 3.473 123.763 120.570 -0.466 0.000 2.336 124 I HA 0.384 4.360 4.170 -0.324 0.000 0.292 124 I C 0.345 176.264 176.117 -0.331 0.000 0.991 124 I CA -0.342 60.625 61.300 -0.555 0.000 1.227 124 I CB 1.064 38.644 38.000 -0.701 0.000 1.366 124 I HN 0.187 nan 8.210 nan 0.000 0.466 125 R N 6.967 127.318 120.500 -0.249 0.000 2.415 125 R HA 0.381 4.527 4.340 -0.324 0.000 0.292 125 R C -2.760 173.493 176.300 -0.079 0.000 1.295 125 R CA -1.608 54.413 56.100 -0.133 0.000 1.137 125 R CB 1.442 31.685 30.300 -0.094 0.000 1.135 125 R HN 0.295 nan 8.270 nan 0.000 0.560 126 P HA 0.203 nan 4.420 nan 0.000 0.290 126 P C -0.544 176.767 177.300 0.019 0.000 1.276 126 P CA -0.448 62.651 63.100 -0.003 0.000 0.808 126 P CB 2.121 33.830 31.700 0.015 0.000 0.966 127 V N 4.584 124.522 119.914 0.039 0.000 2.482 127 V HA 0.603 4.529 4.120 -0.324 0.000 0.295 127 V C -1.094 175.043 176.094 0.072 0.000 1.026 127 V CA -0.549 61.781 62.300 0.050 0.000 0.856 127 V CB 1.411 33.261 31.823 0.046 0.000 1.001 127 V HN 0.665 nan 8.190 nan 0.000 0.424 128 K N 5.512 125.959 120.400 0.079 0.000 2.498 128 K HA 0.359 4.485 4.320 -0.324 0.000 0.254 128 K C -1.333 175.342 176.600 0.124 0.000 0.933 128 K CA -0.717 55.632 56.287 0.104 0.000 0.806 128 K CB 1.817 34.372 32.500 0.091 0.000 1.301 128 K HN 0.648 nan 8.250 nan 0.000 0.432 129 Y N 2.298 122.615 120.300 0.029 0.000 2.426 129 Y HA 0.114 4.469 4.550 -0.324 0.000 0.344 129 Y C 0.930 176.849 175.900 0.032 0.000 1.256 129 Y CA 0.244 58.360 58.100 0.027 0.000 1.451 129 Y CB 0.612 39.086 38.460 0.025 0.000 1.342 129 Y HN 0.629 nan 8.280 nan 0.000 0.600 130 I N 0.922 121.002 120.570 -0.817 0.000 3.649 130 I HA 0.077 4.052 4.170 -0.324 0.000 0.234 130 I C 0.720 176.578 176.117 -0.432 0.000 1.053 130 I CA 0.612 61.618 61.300 -0.490 0.000 1.538 130 I CB 0.281 38.066 38.000 -0.359 0.000 1.445 130 I HN 0.707 nan 8.210 nan 0.000 0.464 131 E N -0.623 119.220 120.200 -0.594 0.000 2.324 131 E HA 0.036 4.191 4.350 -0.324 0.000 0.279 131 E C 1.111 177.717 176.600 0.011 0.000 1.081 131 E CA 0.741 57.086 56.400 -0.092 0.000 2.045 131 E CB -0.913 28.778 29.700 -0.015 0.000 2.820 131 E HN 0.175 nan 8.360 nan 0.000 1.085 132 G N 1.677 110.451 108.800 -0.043 0.000 3.141 132 G HA2 0.269 4.035 3.960 -0.324 0.000 0.218 132 G HA3 0.269 4.035 3.960 -0.324 0.000 0.218 132 G C 0.048 174.951 174.900 0.004 0.000 1.170 132 G CA -0.212 44.901 45.100 0.023 0.000 0.769 132 G HN 0.103 nan 8.290 nan 0.000 0.546 133 L N 1.730 122.891 121.223 -0.102 0.000 2.360 133 L HA 0.208 4.353 4.340 -0.324 0.000 0.276 133 L C 0.223 177.150 176.870 0.094 0.000 1.121 133 L CA -0.393 54.398 54.840 -0.081 0.000 0.845 133 L CB 0.761 42.684 42.059 -0.227 0.000 1.143 133 L HN 0.171 nan 8.230 nan 0.000 0.452 134 E N 2.129 122.349 120.200 0.034 0.000 2.415 134 E HA 0.096 4.251 4.350 -0.324 0.000 0.262 134 E C -0.316 176.334 176.600 0.083 0.000 1.038 134 E CA 0.135 56.565 56.400 0.049 0.000 0.921 134 E CB 1.521 31.187 29.700 -0.056 0.000 0.950 134 E HN 0.501 nan 8.360 nan 0.000 0.438 135 S N 1.771 117.531 115.700 0.100 0.000 2.548 135 S HA 0.393 4.669 4.470 -0.324 0.000 0.286 135 S C -2.075 172.546 174.600 0.035 0.000 1.098 135 S CA -1.438 56.814 58.200 0.088 0.000 0.930 135 S CB 1.449 64.710 63.200 0.102 0.000 1.070 135 S HN 0.258 nan 8.310 nan 0.000 0.480 136 P HA 0.191 nan 4.420 nan 0.000 0.241 136 P C -0.150 177.161 177.300 0.020 0.000 1.191 136 P CA 0.017 63.129 63.100 0.020 0.000 0.771 136 P CB 0.055 31.767 31.700 0.020 0.000 0.929 137 L N 0.506 121.738 121.223 0.015 0.000 2.312 137 L HA 0.271 4.417 4.340 -0.324 0.000 0.281 137 L C 1.872 178.742 176.870 -0.001 0.000 1.070 137 L CA -0.104 54.740 54.840 0.006 0.000 0.805 137 L CB 0.975 43.030 42.059 -0.006 0.000 1.174 137 L HN -0.281 nan 8.230 nan 0.000 0.434 138 K N 1.607 122.013 120.400 0.011 0.000 2.057 138 K HA -0.110 4.015 4.320 -0.324 0.000 0.207 138 K C 0.161 176.778 176.600 0.029 0.000 1.049 138 K CA 1.308 57.600 56.287 0.008 0.000 0.931 138 K CB 0.044 32.549 32.500 0.008 0.000 0.714 138 K HN 0.658 nan 8.250 nan 0.000 0.440 139 H N 0.016 119.032 119.070 -0.090 0.000 2.448 139 H HA 0.182 4.544 4.556 -0.323 0.000 0.237 139 H C -2.148 173.073 175.328 -0.178 0.000 1.391 139 H CA -1.701 54.270 56.048 -0.127 0.000 1.477 139 H CB 1.239 30.951 29.762 -0.084 0.000 1.520 139 H HN 0.121 nan 8.280 nan 0.000 0.502 140 P HA -0.008 nan 4.420 nan 0.000 0.249 140 P C 0.869 177.885 177.300 -0.473 0.000 1.229 140 P CA 0.227 63.115 63.100 -0.353 0.000 0.788 140 P CB 0.677 32.100 31.700 -0.461 0.000 1.072 141 E N 1.509 121.446 120.200 -0.440 0.000 2.049 141 E HA -0.145 4.011 4.350 -0.324 0.000 0.198 141 E C 1.244 177.749 176.600 -0.159 0.000 1.007 141 E CA 1.372 57.604 56.400 -0.280 0.000 0.809 141 E CB -0.564 29.029 29.700 -0.178 0.000 0.749 141 E HN 0.214 nan 8.360 nan 0.000 0.450 142 K N 0.355 120.611 120.400 -0.239 0.000 3.173 142 K HA 0.158 4.284 4.320 -0.324 0.000 0.255 142 K C -1.155 175.406 176.600 -0.066 0.000 1.235 142 K CA -0.148 56.062 56.287 -0.129 0.000 1.250 142 K CB 0.334 32.737 32.500 -0.161 0.000 1.382 142 K HN -0.086 nan 8.250 nan 0.000 0.421 143 V N 1.705 121.609 119.914 -0.016 0.000 2.294 143 V HA 0.105 4.030 4.120 -0.324 0.000 0.272 143 V C -0.415 175.725 176.094 0.077 0.000 1.027 143 V CA -0.560 61.761 62.300 0.036 0.000 0.823 143 V CB 1.078 32.936 31.823 0.058 0.000 1.030 143 V HN 0.252 nan 8.190 nan 0.000 0.457 144 D N 5.319 125.761 120.400 0.071 0.000 2.552 144 D HA 0.382 4.827 4.640 -0.324 0.000 0.285 144 D C -0.299 176.056 176.300 0.091 0.000 1.206 144 D CA -0.202 53.847 54.000 0.082 0.000 0.826 144 D CB 0.622 41.466 40.800 0.073 0.000 1.179 144 D HN 0.356 nan 8.370 nan 0.000 0.508 145 M N 1.126 120.782 119.600 0.094 0.000 2.494 145 M HA 0.541 4.826 4.480 -0.324 0.000 0.300 145 M C -0.566 175.786 176.300 0.088 0.000 1.189 145 M CA -1.119 54.240 55.300 0.098 0.000 0.982 145 M CB 2.051 34.704 32.600 0.090 0.000 1.534 145 M HN 0.264 nan 8.290 nan 0.000 0.488 146 I N 1.808 122.434 120.570 0.094 0.000 2.611 146 I HA 0.423 4.399 4.170 -0.324 0.000 0.287 146 I C -1.839 174.354 176.117 0.127 0.000 1.184 146 I CA -0.066 61.290 61.300 0.094 0.000 1.054 146 I CB 1.101 39.185 38.000 0.139 0.000 1.257 146 I HN 0.544 nan 8.210 nan 0.000 0.435 147 I N 7.616 128.214 120.570 0.048 0.000 2.336 147 I HA 0.340 4.315 4.170 -0.324 0.000 0.292 147 I C -0.922 175.210 176.117 0.026 0.000 0.991 147 I CA -0.345 60.985 61.300 0.051 0.000 1.227 147 I CB 0.962 38.947 38.000 -0.026 0.000 1.366 147 I HN 0.443 nan 8.210 nan 0.000 0.466 148 F N 6.156 126.069 119.950 -0.062 0.000 2.308 148 F HA 0.411 4.742 4.527 -0.326 0.000 0.370 148 F C 0.551 176.341 175.800 -0.017 0.000 1.100 148 F CA -0.485 57.494 58.000 -0.035 0.000 1.108 148 F CB 0.691 39.688 39.000 -0.007 0.000 1.293 148 F HN 0.358 nan 8.300 nan 0.000 0.478 149 R N 2.735 123.250 120.500 0.025 0.000 2.393 149 R HA 0.184 4.330 4.340 -0.324 0.000 0.310 149 R C -0.337 175.996 176.300 0.055 0.000 0.968 149 R CA -0.657 55.453 56.100 0.017 0.000 0.867 149 R CB 1.341 31.612 30.300 -0.048 0.000 1.124 149 R HN 0.431 nan 8.270 nan 0.000 0.450 150 E N 2.854 123.117 120.200 0.105 0.000 2.217 150 E HA -0.044 4.111 4.350 -0.324 0.000 0.279 150 E C 0.027 176.674 176.600 0.079 0.000 1.068 150 E CA 0.121 56.614 56.400 0.156 0.000 0.882 150 E CB 0.677 30.516 29.700 0.232 0.000 1.039 150 E HN 0.452 nan 8.360 nan 0.000 0.418 151 N N 2.763 121.511 118.700 0.080 0.000 2.434 151 N HA -0.049 4.497 4.740 -0.324 0.000 0.196 151 N C -0.721 174.836 175.510 0.080 0.000 1.183 151 N CA 0.273 53.353 53.050 0.049 0.000 0.849 151 N CB 0.306 38.789 38.487 -0.007 0.000 0.992 151 N HN 0.302 nan 8.380 nan 0.000 0.460 152 T N -1.791 112.821 114.554 0.096 0.000 3.865 152 T HA 0.102 4.257 4.350 -0.324 0.000 0.234 152 T C -1.074 173.683 174.700 0.095 0.000 0.584 152 T CA -0.550 61.611 62.100 0.102 0.000 1.058 152 T CB -0.436 68.485 68.868 0.087 0.000 1.174 152 T HN 0.031 nan 8.240 nan 0.000 0.514 153 D N 1.682 122.136 120.400 0.090 0.000 2.135 153 D HA 0.149 4.594 4.640 -0.324 0.000 0.318 153 D C 0.828 177.182 176.300 0.089 0.000 1.109 153 D CA 1.103 55.160 54.000 0.094 0.000 0.952 153 D CB 0.817 41.691 40.800 0.125 0.000 1.816 153 D HN 0.619 nan 8.370 nan 0.000 0.528 154 D N 0.011 120.439 120.400 0.046 0.000 3.161 154 D HA 0.117 4.563 4.640 -0.324 0.000 0.224 154 D C 1.633 177.987 176.300 0.090 0.000 1.180 154 D CA -0.239 53.792 54.000 0.051 0.000 1.207 154 D CB -0.523 40.279 40.800 0.003 0.000 1.008 154 D HN 0.039 nan 8.370 nan 0.000 0.316 155 L N -0.781 120.500 121.223 0.096 0.000 2.549 155 L HA -0.057 4.088 4.340 -0.324 0.000 0.230 155 L C 1.481 178.531 176.870 0.300 0.000 1.162 155 L CA 0.614 55.556 54.840 0.170 0.000 0.834 155 L CB -0.419 41.747 42.059 0.178 0.000 0.947 155 L HN 0.243 nan 8.230 nan 0.000 0.452 156 Y N -0.083 120.222 120.300 0.009 0.000 2.546 156 Y HA -0.003 4.354 4.550 -0.322 0.000 0.287 156 Y C 2.303 178.197 175.900 -0.011 0.000 1.158 156 Y CA 0.005 58.101 58.100 -0.008 0.000 1.307 156 Y CB -0.485 37.969 38.460 -0.011 0.000 1.036 156 Y HN 0.130 nan 8.280 nan 0.000 0.532 157 R N -0.588 120.001 120.500 0.148 0.000 2.189 157 R HA 0.024 4.170 4.340 -0.324 0.000 0.223 157 R C 1.734 178.048 176.300 0.023 0.000 1.092 157 R CA 0.970 57.115 56.100 0.075 0.000 0.989 157 R CB -0.278 30.061 30.300 0.066 0.000 0.876 157 R HN 0.371 nan 8.270 nan 0.000 0.457 158 G N 0.777 109.580 108.800 0.005 0.000 2.159 158 G HA2 -0.233 3.532 3.960 -0.324 0.000 0.227 158 G HA3 -0.233 3.532 3.960 -0.324 0.000 0.227 158 G C 0.209 175.033 174.900 -0.127 0.000 0.986 158 G CA -0.367 44.698 45.100 -0.057 0.000 0.651 158 G HN 0.244 nan 8.290 nan 0.000 0.523 159 I N 2.317 122.821 120.570 -0.110 0.000 2.268 159 I HA 0.343 4.318 4.170 -0.324 0.000 0.298 159 I C 0.679 176.599 176.117 -0.328 0.000 1.185 159 I CA 0.245 61.422 61.300 -0.206 0.000 1.548 159 I CB -0.328 37.639 38.000 -0.054 0.000 1.492 159 I HN 0.495 nan 8.210 nan 0.000 0.711 160 E N 4.034 123.889 120.200 -0.575 0.000 2.429 160 E HA 0.660 4.816 4.350 -0.324 0.000 0.276 160 E C -1.630 174.498 176.600 -0.787 0.000 0.953 160 E CA -0.931 55.188 56.400 -0.469 0.000 0.787 160 E CB 1.926 31.520 29.700 -0.178 0.000 1.307 160 E HN 0.127 nan 8.360 nan 0.000 0.458 161 Y N -0.586 119.737 120.300 0.038 0.000 2.513 161 Y HA 0.401 4.756 4.550 -0.325 0.000 0.340 161 Y C -2.533 173.389 175.900 0.036 0.000 1.055 161 Y CA -2.296 55.817 58.100 0.022 0.000 1.020 161 Y CB 1.960 40.427 38.460 0.012 0.000 1.301 161 Y HN 0.452 nan 8.280 nan 0.000 0.453 162 P HA 0.059 nan 4.420 nan 0.000 0.272 162 P C 0.671 178.000 177.300 0.048 0.000 1.230 162 P CA -0.281 62.880 63.100 0.102 0.000 0.788 162 P CB 0.713 32.409 31.700 -0.008 0.000 0.949 163 F N 0.669 120.658 119.950 0.065 0.000 2.529 163 F HA -0.095 4.237 4.527 -0.325 0.000 0.297 163 F C 0.941 176.767 175.800 0.042 0.000 1.114 163 F CA 0.699 58.731 58.000 0.054 0.000 1.467 163 F CB -1.062 37.962 39.000 0.041 0.000 1.096 163 F HN 0.188 nan 8.300 nan 0.000 0.586 164 N N 0.478 118.722 118.700 -0.760 0.000 2.299 164 N HA 0.079 4.624 4.740 -0.324 0.000 0.246 164 N C -0.454 174.887 175.510 -0.281 0.000 1.254 164 N CA 0.204 52.928 53.050 -0.543 0.000 0.879 164 N CB -0.106 37.895 38.487 -0.809 0.000 1.214 164 N HN 0.291 nan 8.380 nan 0.000 0.510 165 S N 0.110 115.700 115.700 -0.183 0.000 2.585 165 S HA 0.207 4.483 4.470 -0.324 0.000 0.277 165 S C 1.114 175.655 174.600 -0.098 0.000 1.241 165 S CA -0.660 57.474 58.200 -0.110 0.000 1.041 165 S CB 1.775 64.947 63.200 -0.047 0.000 0.987 165 S HN 0.303 nan 8.310 nan 0.000 0.512 166 E N 1.461 121.604 120.200 -0.095 0.000 2.204 166 E HA -0.207 3.949 4.350 -0.324 0.000 0.195 166 E C 1.007 177.529 176.600 -0.130 0.000 0.990 166 E CA 1.165 57.512 56.400 -0.089 0.000 0.821 166 E CB -0.338 29.318 29.700 -0.074 0.000 0.750 166 E HN 0.757 nan 8.360 nan 0.000 0.477 167 E N 1.696 121.775 120.200 -0.203 0.000 2.031 167 E HA -0.141 4.014 4.350 -0.324 0.000 0.193 167 E C 2.131 178.536 176.600 -0.324 0.000 0.994 167 E CA 1.653 57.818 56.400 -0.392 0.000 0.800 167 E CB -0.347 28.894 29.700 -0.765 0.000 0.752 167 E HN 0.413 nan 8.360 nan 0.000 0.447 168 A N 0.926 123.638 122.820 -0.179 0.000 1.972 168 A HA -0.233 3.893 4.320 -0.324 0.000 0.219 168 A C 1.849 179.427 177.584 -0.010 0.000 1.169 168 A CA 1.604 53.625 52.037 -0.026 0.000 0.635 168 A CB -0.339 18.698 19.000 0.062 0.000 0.810 168 A HN 0.095 nan 8.150 nan 0.000 0.446 169 K N -0.288 120.091 120.400 -0.034 0.000 2.057 169 K HA -0.082 4.043 4.320 -0.324 0.000 0.206 169 K C 1.984 178.584 176.600 -0.002 0.000 1.050 169 K CA 1.200 57.483 56.287 -0.008 0.000 0.935 169 K CB -0.109 32.379 32.500 -0.020 0.000 0.715 169 K HN 0.232 nan 8.250 nan 0.000 0.439 170 K N 0.962 121.340 120.400 -0.038 0.000 2.097 170 K HA -0.071 4.055 4.320 -0.324 0.000 0.206 170 K C 2.072 178.690 176.600 0.031 0.000 1.049 170 K CA 1.121 57.394 56.287 -0.023 0.000 0.933 170 K CB -0.119 32.329 32.500 -0.086 0.000 0.717 170 K HN 0.198 nan 8.250 nan 0.000 0.442 171 I N 0.276 120.855 120.570 0.016 0.000 2.286 171 I HA -0.226 3.750 4.170 -0.324 0.000 0.245 171 I C 2.397 178.609 176.117 0.158 0.000 1.104 171 I CA 0.978 62.337 61.300 0.098 0.000 1.397 171 I CB -0.191 37.860 38.000 0.085 0.000 1.072 171 I HN 0.093 nan 8.210 nan 0.000 0.417 172 R N 0.580 121.144 120.500 0.105 0.000 2.148 172 R HA -0.147 3.998 4.340 -0.324 0.000 0.227 172 R C 1.721 178.074 176.300 0.089 0.000 1.103 172 R CA 1.231 57.389 56.100 0.096 0.000 0.983 172 R CB -0.234 30.112 30.300 0.076 0.000 0.874 172 R HN 0.357 nan 8.270 nan 0.000 0.451 173 D N 0.068 120.525 120.400 0.095 0.000 2.123 173 D HA -0.143 4.303 4.640 -0.324 0.000 0.200 173 D C 1.483 177.850 176.300 0.111 0.000 0.976 173 D CA 0.879 54.929 54.000 0.083 0.000 0.831 173 D CB -0.216 40.629 40.800 0.075 0.000 0.974 173 D HN 0.050 nan 8.370 nan 0.000 0.469 174 F N 1.485 121.439 119.950 0.007 0.000 2.095 174 F HA -0.122 4.209 4.527 -0.327 0.000 0.298 174 F C 2.062 177.872 175.800 0.017 0.000 1.104 174 F CA 1.202 59.209 58.000 0.010 0.000 1.232 174 F CB -0.380 38.626 39.000 0.011 0.000 0.987 174 F HN -0.115 nan 8.300 nan 0.000 0.475 175 L N -0.291 120.947 121.223 0.025 0.000 2.265 175 L HA -0.176 3.970 4.340 -0.324 0.000 0.215 175 L C 2.568 179.373 176.870 -0.108 0.000 1.117 175 L CA 0.730 55.526 54.840 -0.075 0.000 0.782 175 L CB -0.608 41.490 42.059 0.066 0.000 0.914 175 L HN 0.095 nan 8.230 nan 0.000 0.441 176 R N 0.121 120.581 120.500 -0.067 0.000 2.064 176 R HA -0.038 4.108 4.340 -0.324 0.000 0.221 176 R C 2.186 178.437 176.300 -0.081 0.000 1.136 176 R CA 0.973 57.042 56.100 -0.052 0.000 0.980 176 R CB -0.253 30.040 30.300 -0.011 0.000 0.876 176 R HN 0.237 nan 8.270 nan 0.000 0.437 177 K N 0.559 120.905 120.400 -0.090 0.000 2.243 177 K HA -0.047 4.078 4.320 -0.324 0.000 0.201 177 K C 1.260 177.772 176.600 -0.147 0.000 1.051 177 K CA 0.948 57.183 56.287 -0.086 0.000 0.970 177 K CB 0.418 32.894 32.500 -0.041 0.000 0.755 177 K HN 0.008 nan 8.250 nan 0.000 0.465 178 E N -0.108 119.915 120.200 -0.296 0.000 2.244 178 E HA 0.011 4.166 4.350 -0.324 0.000 0.196 178 E C 1.611 178.000 176.600 -0.352 0.000 0.939 178 E CA 0.279 56.447 56.400 -0.386 0.000 0.884 178 E CB 0.469 29.722 29.700 -0.745 0.000 0.850 178 E HN 0.184 nan 8.360 nan 0.000 0.481 179 L N 0.360 121.361 121.223 -0.369 0.000 2.609 179 L HA 0.180 4.326 4.340 -0.324 0.000 0.230 179 L C 0.045 176.843 176.870 -0.121 0.000 1.087 179 L CA 0.513 55.223 54.840 -0.217 0.000 0.874 179 L CB -0.187 41.756 42.059 -0.194 0.000 1.114 179 L HN 0.079 nan 8.230 nan 0.000 0.488 180 K N 0.266 120.596 120.400 -0.117 0.000 3.244 180 K HA -0.134 3.991 4.320 -0.324 0.000 0.270 180 K C -0.492 176.085 176.600 -0.039 0.000 1.016 180 K CA -0.013 56.235 56.287 -0.066 0.000 0.754 180 K CB -1.842 30.626 32.500 -0.053 0.000 1.326 180 K HN 0.011 nan 8.250 nan 0.000 0.465 181 V N 1.243 121.136 119.914 -0.035 0.000 2.555 181 V HA 0.174 4.100 4.120 -0.324 0.000 0.302 181 V C 0.392 176.487 176.094 0.003 0.000 1.038 181 V CA -0.706 61.589 62.300 -0.008 0.000 0.887 181 V CB 1.827 33.653 31.823 0.005 0.000 0.991 181 V HN 0.216 nan 8.190 nan 0.000 0.434 182 E N 5.648 125.854 120.200 0.010 0.000 2.167 182 E HA 0.605 4.761 4.350 -0.324 0.000 0.284 182 E C -0.844 175.771 176.600 0.025 0.000 1.016 182 E CA -0.253 56.156 56.400 0.015 0.000 0.817 182 E CB 1.548 31.256 29.700 0.012 0.000 1.080 182 E HN 0.639 nan 8.360 nan 0.000 0.397 183 I N -0.775 119.813 120.570 0.030 0.000 2.656 183 I HA 0.409 4.385 4.170 -0.324 0.000 0.292 183 I C -0.116 176.026 176.117 0.041 0.000 1.144 183 I CA -1.167 60.157 61.300 0.040 0.000 1.038 183 I CB 1.840 39.873 38.000 0.054 0.000 1.244 183 I HN 0.283 nan 8.210 nan 0.000 0.420 184 E N 3.247 123.470 120.200 0.039 0.000 2.435 184 E HA 0.022 4.177 4.350 -0.324 0.000 0.256 184 E C -0.234 176.400 176.600 0.058 0.000 1.245 184 E CA -0.183 56.241 56.400 0.040 0.000 0.989 184 E CB 0.868 30.585 29.700 0.030 0.000 0.983 184 E HN 0.613 nan 8.360 nan 0.000 0.480 185 D N 0.402 120.840 120.400 0.064 0.000 2.338 185 D HA -0.087 4.358 4.640 -0.324 0.000 0.208 185 D C 0.189 176.573 176.300 0.141 0.000 0.997 185 D CA 0.506 54.561 54.000 0.092 0.000 0.880 185 D CB 0.061 40.910 40.800 0.081 0.000 0.980 185 D HN 0.409 nan 8.370 nan 0.000 0.509 186 D N 1.734 122.194 120.400 0.100 0.000 3.008 186 D HA -0.038 4.407 4.640 -0.324 0.000 0.242 186 D C -0.143 176.175 176.300 0.030 0.000 1.222 186 D CA -0.114 53.927 54.000 0.069 0.000 0.883 186 D CB -0.865 39.909 40.800 -0.044 0.000 1.110 186 D HN -0.059 nan 8.370 nan 0.000 0.455 187 T N -2.883 111.758 114.554 0.144 0.000 2.809 187 T HA 0.626 4.782 4.350 -0.324 0.000 0.284 187 T C 0.562 175.387 174.700 0.208 0.000 0.992 187 T CA -0.918 61.258 62.100 0.126 0.000 0.957 187 T CB 1.745 70.671 68.868 0.097 0.000 0.942 187 T HN 0.129 nan 8.240 nan 0.000 0.439 188 G N 2.390 111.300 108.800 0.183 0.000 2.527 188 G HA2 0.603 4.369 3.960 -0.324 0.000 0.248 188 G HA3 0.603 4.369 3.960 -0.324 0.000 0.248 188 G C -0.600 174.393 174.900 0.154 0.000 1.231 188 G CA -0.805 44.421 45.100 0.210 0.000 0.838 188 G HN 0.892 nan 8.290 nan 0.000 0.570 189 I N 0.372 121.038 120.570 0.160 0.000 2.582 189 I HA 0.577 4.553 4.170 -0.324 0.000 0.292 189 I C 0.266 176.446 176.117 0.105 0.000 1.066 189 I CA -0.773 60.615 61.300 0.145 0.000 1.053 189 I CB 2.683 40.798 38.000 0.191 0.000 1.241 189 I HN 0.659 nan 8.210 nan 0.000 0.421 190 G N 6.231 115.081 108.800 0.083 0.000 2.687 190 G HA2 0.708 4.474 3.960 -0.324 0.000 0.301 190 G HA3 0.708 4.474 3.960 -0.324 0.000 0.301 190 G C -1.159 173.782 174.900 0.067 0.000 1.416 190 G CA -0.400 44.726 45.100 0.044 0.000 1.005 190 G HN 0.451 nan 8.290 nan 0.000 0.509 191 I N 1.930 122.533 120.570 0.056 0.000 2.307 191 I HA 0.272 4.247 4.170 -0.324 0.000 0.289 191 I C 0.469 176.633 176.117 0.078 0.000 1.021 191 I CA -0.586 60.762 61.300 0.081 0.000 1.224 191 I CB 1.610 39.664 38.000 0.091 0.000 1.376 191 I HN 0.252 nan 8.210 nan 0.000 0.470 192 K N 6.323 126.776 120.400 0.089 0.000 2.312 192 K HA 0.468 4.594 4.320 -0.324 0.000 0.287 192 K C -1.019 175.645 176.600 0.107 0.000 1.062 192 K CA -0.322 56.020 56.287 0.092 0.000 0.934 192 K CB 0.889 33.441 32.500 0.086 0.000 1.027 192 K HN 0.391 nan 8.250 nan 0.000 0.478 193 V N 5.250 125.229 119.914 0.109 0.000 2.667 193 V HA 0.483 4.409 4.120 -0.324 0.000 0.308 193 V C -0.569 175.619 176.094 0.156 0.000 1.048 193 V CA -0.966 61.410 62.300 0.127 0.000 0.928 193 V CB 1.644 33.530 31.823 0.105 0.000 1.004 193 V HN 0.850 nan 8.190 nan 0.000 0.444 194 M N 3.429 123.155 119.600 0.210 0.000 2.165 194 M HA 0.455 4.741 4.480 -0.324 0.000 0.283 194 M C -0.513 175.970 176.300 0.305 0.000 0.978 194 M CA 0.166 55.643 55.300 0.294 0.000 0.948 194 M CB 1.927 34.755 32.600 0.380 0.000 1.599 194 M HN 0.681 nan 8.290 nan 0.000 0.450 195 S N 2.616 118.425 115.700 0.181 0.000 2.499 195 S HA 0.322 4.597 4.470 -0.324 0.000 0.279 195 S C 0.881 175.334 174.600 -0.245 0.000 1.219 195 S CA -0.446 57.755 58.200 0.002 0.000 1.062 195 S CB 0.952 64.159 63.200 0.011 0.000 0.978 195 S HN 0.821 nan 8.310 nan 0.000 0.489 196 K N 5.011 124.983 120.400 -0.713 0.000 2.148 196 K HA -0.101 4.025 4.320 -0.324 0.000 0.204 196 K C 1.621 177.854 176.600 -0.611 0.000 1.050 196 K CA 1.708 57.154 56.287 -1.402 0.000 0.942 196 K CB -0.572 30.946 32.500 -1.636 0.000 0.724 196 K HN 0.808 nan 8.250 nan 0.000 0.446 197 Y N 0.992 121.027 120.300 -0.442 0.000 2.184 197 Y HA -0.070 4.263 4.550 -0.363 0.000 0.290 197 Y C 1.627 177.375 175.900 -0.254 0.000 1.129 197 Y CA 1.566 59.486 58.100 -0.299 0.000 1.144 197 Y CB 0.121 38.447 38.460 -0.224 0.000 0.995 197 Y HN -0.031 nan 8.280 nan 0.000 0.513 198 K N -0.468 119.734 120.400 -0.329 0.000 2.063 198 K HA -0.161 3.965 4.320 -0.324 0.000 0.208 198 K C 1.886 178.299 176.600 -0.310 0.000 1.048 198 K CA 2.050 58.120 56.287 -0.361 0.000 0.928 198 K CB -0.350 32.084 32.500 -0.111 0.000 0.713 198 K HN 0.308 nan 8.250 nan 0.000 0.442 199 T N 1.406 115.797 114.554 -0.270 0.000 2.867 199 T HA -0.145 4.010 4.350 -0.324 0.000 0.268 199 T C 1.790 176.281 174.700 -0.348 0.000 1.057 199 T CA 1.199 63.062 62.100 -0.394 0.000 1.136 199 T CB -0.075 68.484 68.868 -0.516 0.000 0.874 199 T HN 0.310 nan 8.240 nan 0.000 0.466 200 Q N 0.558 120.167 119.800 -0.318 0.000 2.137 200 Q HA -0.033 4.113 4.340 -0.324 0.000 0.198 200 Q C 2.642 178.514 176.000 -0.214 0.000 0.960 200 Q CA 0.815 56.484 55.803 -0.223 0.000 0.847 200 Q CB -0.148 28.481 28.738 -0.181 0.000 0.915 200 Q HN 0.572 nan 8.270 nan 0.000 0.448 201 R N 0.749 121.014 120.500 -0.390 0.000 2.092 201 R HA -0.068 4.078 4.340 -0.324 0.000 0.231 201 R C 1.985 178.235 176.300 -0.082 0.000 1.119 201 R CA 1.292 57.178 56.100 -0.355 0.000 0.970 201 R CB -0.525 29.286 30.300 -0.816 0.000 0.864 201 R HN 0.263 nan 8.270 nan 0.000 0.440 202 I N 1.530 122.075 120.570 -0.041 0.000 2.617 202 I HA -0.126 3.850 4.170 -0.324 0.000 0.256 202 I C 1.137 177.331 176.117 0.127 0.000 1.167 202 I CA 1.132 62.553 61.300 0.202 0.000 1.469 202 I CB 0.065 38.215 38.000 0.250 0.000 1.098 202 I HN 0.202 nan 8.210 nan 0.000 0.436 203 T N 0.942 115.491 114.554 -0.009 0.000 2.857 203 T HA -0.090 4.065 4.350 -0.324 0.000 0.266 203 T C 1.931 176.553 174.700 -0.130 0.000 1.048 203 T CA 1.011 63.065 62.100 -0.076 0.000 1.139 203 T CB -0.133 68.669 68.868 -0.109 0.000 0.874 203 T HN 0.385 nan 8.240 nan 0.000 0.455 204 R N 0.597 121.064 120.500 -0.055 0.000 2.073 204 R HA 0.053 4.199 4.340 -0.324 0.000 0.234 204 R C 2.487 178.756 176.300 -0.052 0.000 1.134 204 R CA 1.031 57.097 56.100 -0.058 0.000 0.952 204 R CB -0.667 29.719 30.300 0.144 0.000 0.850 204 R HN 0.318 nan 8.270 nan 0.000 0.433 205 L N 0.424 121.721 121.223 0.123 0.000 2.013 205 L HA -0.249 3.896 4.340 -0.324 0.000 0.212 205 L C 2.703 179.623 176.870 0.083 0.000 1.073 205 L CA 1.505 56.505 54.840 0.268 0.000 0.753 205 L CB -0.645 41.717 42.059 0.506 0.000 0.890 205 L HN 0.302 nan 8.230 nan 0.000 0.432 206 A N 0.250 122.952 122.820 -0.197 0.000 1.873 206 A HA -0.246 3.879 4.320 -0.324 0.000 0.218 206 A C 2.116 179.389 177.584 -0.518 0.000 1.193 206 A CA 1.964 53.494 52.037 -0.846 0.000 0.629 206 A CB -0.758 17.834 19.000 -0.681 0.000 0.826 206 A HN 0.411 nan 8.150 nan 0.000 0.447 207 I N -1.027 119.285 120.570 -0.430 0.000 2.252 207 I HA -0.292 3.684 4.170 -0.324 0.000 0.245 207 I C 2.798 178.680 176.117 -0.392 0.000 1.102 207 I CA 1.555 62.572 61.300 -0.470 0.000 1.385 207 I CB -0.495 37.016 38.000 -0.815 0.000 1.064 207 I HN 0.426 nan 8.210 nan 0.000 0.414 208 Q N -0.294 119.305 119.800 -0.335 0.000 2.181 208 Q HA -0.275 3.871 4.340 -0.324 0.000 0.205 208 Q C 2.119 178.044 176.000 -0.125 0.000 0.980 208 Q CA 1.974 57.676 55.803 -0.169 0.000 0.862 208 Q CB -0.217 28.512 28.738 -0.015 0.000 0.905 208 Q HN 0.534 nan 8.270 nan 0.000 0.429 209 Y N 0.035 120.204 120.300 -0.217 0.000 2.220 209 Y HA -0.155 4.200 4.550 -0.325 0.000 0.291 209 Y C 2.098 177.943 175.900 -0.092 0.000 1.129 209 Y CA 1.212 59.209 58.100 -0.172 0.000 1.161 209 Y CB -0.279 38.094 38.460 -0.144 0.000 0.997 209 Y HN 0.094 nan 8.280 nan 0.000 0.522 210 A N 0.385 123.166 122.820 -0.065 0.000 1.902 210 A HA -0.168 3.958 4.320 -0.324 0.000 0.217 210 A C 2.255 179.770 177.584 -0.114 0.000 1.181 210 A CA 1.947 53.940 52.037 -0.073 0.000 0.623 210 A CB -1.077 17.882 19.000 -0.068 0.000 0.818 210 A HN 0.562 nan 8.150 nan 0.000 0.443 211 I N -0.987 119.499 120.570 -0.140 0.000 2.113 211 I HA -0.232 3.744 4.170 -0.324 0.000 0.238 211 I C 2.535 178.556 176.117 -0.160 0.000 1.070 211 I CA 1.871 63.105 61.300 -0.110 0.000 1.332 211 I CB -0.357 37.532 38.000 -0.185 0.000 1.044 211 I HN 0.308 nan 8.210 nan 0.000 0.402 212 E N 0.182 120.225 120.200 -0.261 0.000 2.265 212 E HA -0.199 3.957 4.350 -0.324 0.000 0.196 212 E C 1.027 177.236 176.600 -0.653 0.000 0.996 212 E CA 1.340 57.493 56.400 -0.411 0.000 0.832 212 E CB -0.050 29.367 29.700 -0.472 0.000 0.756 212 E HN 0.562 nan 8.360 nan 0.000 0.491 213 H N -1.006 117.819 119.070 -0.408 0.000 2.512 213 H HA 0.349 4.710 4.556 -0.325 0.000 0.276 213 H C -0.524 174.681 175.328 -0.206 0.000 1.126 213 H CA -0.177 55.646 56.048 -0.376 0.000 1.060 213 H CB 0.363 29.710 29.762 -0.691 0.000 1.646 213 H HN -0.051 nan 8.280 nan 0.000 0.571 214 K N 1.364 121.714 120.400 -0.084 0.000 3.156 214 K HA -0.219 3.907 4.320 -0.324 0.000 0.266 214 K C -0.037 176.565 176.600 0.003 0.000 0.966 214 K CA 0.205 56.476 56.287 -0.027 0.000 0.719 214 K CB -0.554 31.936 32.500 -0.017 0.000 1.333 214 K HN 0.303 nan 8.250 nan 0.000 0.468 215 R N 0.682 121.183 120.500 0.002 0.000 2.517 215 R HA 0.263 4.409 4.340 -0.324 0.000 0.250 215 R C 1.055 177.373 176.300 0.029 0.000 1.213 215 R CA -0.111 56.010 56.100 0.035 0.000 1.146 215 R CB 0.536 30.874 30.300 0.063 0.000 1.279 215 R HN 0.211 nan 8.270 nan 0.000 0.597 216 K N -0.817 119.604 120.400 0.036 0.000 2.614 216 K HA 0.317 4.443 4.320 -0.324 0.000 0.190 216 K C -0.322 176.299 176.600 0.035 0.000 1.255 216 K CA -0.217 56.090 56.287 0.033 0.000 1.099 216 K CB 0.766 33.286 32.500 0.032 0.000 1.023 216 K HN 0.066 nan 8.250 nan 0.000 0.576 217 K N 1.280 121.701 120.400 0.034 0.000 2.589 217 K HA 0.371 4.497 4.320 -0.324 0.000 0.253 217 K C -1.630 174.986 176.600 0.027 0.000 0.974 217 K CA -0.457 55.853 56.287 0.038 0.000 0.835 217 K CB 2.387 34.918 32.500 0.051 0.000 1.272 217 K HN -0.026 nan 8.250 nan 0.000 0.444 218 V N 3.181 123.099 119.914 0.007 0.000 2.376 218 V HA 0.402 4.328 4.120 -0.324 0.000 0.287 218 V C -0.145 175.944 176.094 -0.007 0.000 1.015 218 V CA -0.655 61.627 62.300 -0.030 0.000 0.834 218 V CB 1.749 33.515 31.823 -0.095 0.000 1.001 218 V HN 0.677 nan 8.190 nan 0.000 0.428 219 T N 6.211 120.774 114.554 0.015 0.000 2.824 219 T HA 0.630 4.785 4.350 -0.324 0.000 0.280 219 T C -0.085 174.611 174.700 -0.008 0.000 0.995 219 T CA -0.194 61.927 62.100 0.035 0.000 1.009 219 T CB 1.197 70.135 68.868 0.117 0.000 0.955 219 T HN 0.393 nan 8.240 nan 0.000 0.452 220 I N 3.669 124.243 120.570 0.007 0.000 2.304 220 I HA 0.343 4.319 4.170 -0.324 0.000 0.291 220 I C 0.284 176.466 176.117 0.108 0.000 1.018 220 I CA -0.450 60.881 61.300 0.052 0.000 1.260 220 I CB 1.047 39.059 38.000 0.020 0.000 1.390 220 I HN 0.437 nan 8.210 nan 0.000 0.475 221 M N 8.630 128.224 119.600 -0.010 0.000 2.144 221 M HA 0.399 4.684 4.480 -0.324 0.000 0.356 221 M C -1.058 175.194 176.300 -0.079 0.000 1.217 221 M CA 0.126 55.348 55.300 -0.129 0.000 1.087 221 M CB 0.395 32.848 32.600 -0.245 0.000 1.609 221 M HN 0.698 nan 8.290 nan 0.000 0.467 222 H N 2.882 121.874 119.070 -0.129 0.000 2.987 222 H HA 0.335 4.701 4.556 -0.318 0.000 0.316 222 H C -2.039 173.247 175.328 -0.070 0.000 1.380 222 H CA -1.013 54.965 56.048 -0.115 0.000 1.160 222 H CB 0.995 30.721 29.762 -0.059 0.000 1.865 222 H HN 0.641 nan 8.280 nan 0.000 0.521 223 K N 1.081 121.475 120.400 -0.010 0.000 3.109 223 K HA 0.313 4.439 4.320 -0.324 0.000 0.214 223 K C 1.123 177.773 176.600 0.083 0.000 1.196 223 K CA 0.238 56.508 56.287 -0.028 0.000 1.115 223 K CB -0.277 32.205 32.500 -0.030 0.000 1.103 223 K HN 0.814 nan 8.250 nan 0.000 0.467 224 G N 0.837 109.837 108.800 0.333 0.000 2.807 224 G HA2 -0.201 3.565 3.960 -0.324 0.000 0.207 224 G HA3 -0.201 3.565 3.960 -0.324 0.000 0.207 224 G C 0.827 175.761 174.900 0.058 0.000 1.151 224 G CA 0.401 45.616 45.100 0.192 0.000 0.800 224 G HN 0.572 nan 8.290 nan 0.000 0.523 225 N N 0.017 118.742 118.700 0.041 0.000 2.299 225 N HA -0.031 4.515 4.740 -0.324 0.000 0.187 225 N C 1.403 176.893 175.510 -0.033 0.000 1.099 225 N CA 1.173 54.222 53.050 -0.002 0.000 0.867 225 N CB 0.360 38.847 38.487 0.001 0.000 0.974 225 N HN 0.501 nan 8.380 nan 0.000 0.477 226 V N -4.650 115.241 119.914 -0.039 0.000 3.309 226 V HA 0.447 4.373 4.120 -0.324 0.000 0.268 226 V C 0.748 176.804 176.094 -0.062 0.000 1.631 226 V CA -0.199 62.073 62.300 -0.047 0.000 1.018 226 V CB -0.034 31.772 31.823 -0.029 0.000 0.841 226 V HN 0.003 nan 8.190 nan 0.000 0.418 227 M N 1.072 120.633 119.600 -0.065 0.000 3.062 227 M HA 0.431 4.716 4.480 -0.324 0.000 0.270 227 M C 0.757 176.981 176.300 -0.126 0.000 1.270 227 M CA -0.194 55.065 55.300 -0.068 0.000 0.702 227 M CB 1.188 33.780 32.600 -0.015 0.000 1.398 227 M HN 0.123 nan 8.290 nan 0.000 0.490 228 K N -0.114 120.119 120.400 -0.278 0.000 2.113 228 K HA -0.159 3.967 4.320 -0.324 0.000 0.208 228 K C 0.738 177.105 176.600 -0.388 0.000 1.047 228 K CA 1.752 57.793 56.287 -0.410 0.000 0.928 228 K CB -0.082 32.011 32.500 -0.678 0.000 0.716 228 K HN 0.542 nan 8.250 nan 0.000 0.446 229 Y N 0.606 120.887 120.300 -0.031 0.000 2.490 229 Y HA -0.071 4.281 4.550 -0.330 0.000 0.281 229 Y C 2.340 178.220 175.900 -0.033 0.000 1.174 229 Y CA 0.516 58.589 58.100 -0.044 0.000 1.295 229 Y CB 0.113 38.574 38.460 0.002 0.000 1.062 229 Y HN 0.261 nan 8.280 nan 0.000 0.522 230 T N -3.904 110.698 114.554 0.079 0.000 3.478 230 T HA 0.033 4.189 4.350 -0.324 0.000 0.223 230 T C 1.507 176.257 174.700 0.083 0.000 0.958 230 T CA 0.020 62.187 62.100 0.111 0.000 1.324 230 T CB -0.260 68.680 68.868 0.121 0.000 1.262 230 T HN -0.019 nan 8.240 nan 0.000 0.379 231 E N 1.617 121.853 120.200 0.060 0.000 2.058 231 E HA -0.060 4.096 4.350 -0.324 0.000 0.194 231 E C 2.440 179.063 176.600 0.038 0.000 0.997 231 E CA 1.490 57.935 56.400 0.074 0.000 0.801 231 E CB -0.871 28.864 29.700 0.058 0.000 0.746 231 E HN 0.668 nan 8.360 nan 0.000 0.450 232 G N 1.454 110.225 108.800 -0.048 0.000 2.442 232 G HA2 -0.251 3.514 3.960 -0.324 0.000 0.219 232 G HA3 -0.251 3.514 3.960 -0.324 0.000 0.219 232 G C 1.760 176.515 174.900 -0.242 0.000 1.141 232 G CA 1.296 46.310 45.100 -0.144 0.000 0.763 232 G HN 0.371 nan 8.290 nan 0.000 0.554 233 A N 0.241 122.864 122.820 -0.327 0.000 1.933 233 A HA 0.083 4.209 4.320 -0.324 0.000 0.218 233 A C 2.160 179.288 177.584 -0.761 0.000 1.175 233 A CA 1.452 52.976 52.037 -0.855 0.000 0.628 233 A CB -0.539 17.793 19.000 -1.113 0.000 0.814 233 A HN 0.386 nan 8.150 nan 0.000 0.444 234 F N 0.430 120.202 119.950 -0.297 0.000 2.095 234 F HA -0.212 4.134 4.527 -0.302 0.000 0.298 234 F C 2.513 178.276 175.800 -0.062 0.000 1.104 234 F CA 2.180 60.186 58.000 0.010 0.000 1.232 234 F CB -0.086 38.938 39.000 0.040 0.000 0.987 234 F HN 0.163 nan 8.300 nan 0.000 0.475 235 R N 0.699 121.233 120.500 0.056 0.000 2.073 235 R HA -0.214 3.932 4.340 -0.324 0.000 0.234 235 R C 2.278 178.566 176.300 -0.019 0.000 1.134 235 R CA 2.020 58.069 56.100 -0.085 0.000 0.952 235 R CB -0.689 29.352 30.300 -0.431 0.000 0.850 235 R HN 0.485 nan 8.270 nan 0.000 0.433 236 E N -0.495 119.639 120.200 -0.110 0.000 2.051 236 E HA -0.201 3.955 4.350 -0.324 0.000 0.192 236 E C 1.741 178.377 176.600 0.059 0.000 0.991 236 E CA 1.353 57.717 56.400 -0.061 0.000 0.799 236 E CB -0.162 29.378 29.700 -0.267 0.000 0.748 236 E HN 0.398 nan 8.360 nan 0.000 0.449 237 W N 0.210 121.496 121.300 -0.024 0.000 2.402 237 W HA 0.019 4.696 4.660 0.027 0.000 0.286 237 W C 2.345 178.791 176.519 -0.121 0.000 1.221 237 W CA 0.858 58.157 57.345 -0.077 0.000 1.257 237 W CB -0.999 28.374 29.460 -0.144 0.000 1.120 237 W HN 0.242 nan 8.180 nan 0.000 0.551 238 A N -0.579 122.253 122.820 0.019 0.000 1.873 238 A HA -0.203 3.923 4.320 -0.324 0.000 0.215 238 A C 1.843 179.412 177.584 -0.025 0.000 1.186 238 A CA 1.359 53.333 52.037 -0.105 0.000 0.616 238 A CB -1.414 17.468 19.000 -0.196 0.000 0.823 238 A HN 0.313 nan 8.150 nan 0.000 0.442 239 Y N -0.340 119.978 120.300 0.030 0.000 2.224 239 Y HA -0.209 4.142 4.550 -0.332 0.000 0.289 239 Y C 2.599 178.536 175.900 0.062 0.000 1.146 239 Y CA 1.595 59.718 58.100 0.039 0.000 1.182 239 Y CB 0.015 38.486 38.460 0.018 0.000 0.983 239 Y HN 0.516 nan 8.280 nan 0.000 0.524 240 E N -0.171 120.179 120.200 0.250 0.000 2.007 240 E HA -0.252 3.904 4.350 -0.324 0.000 0.194 240 E C 2.337 179.033 176.600 0.159 0.000 0.999 240 E CA 1.555 58.069 56.400 0.190 0.000 0.811 240 E CB -0.429 29.395 29.700 0.207 0.000 0.762 240 E HN 0.237 nan 8.360 nan 0.000 0.450 241 V N 0.772 120.770 119.914 0.140 0.000 2.469 241 V HA -0.267 3.659 4.120 -0.324 0.000 0.251 241 V C 2.113 178.339 176.094 0.220 0.000 1.064 241 V CA 2.168 64.552 62.300 0.139 0.000 1.066 241 V CB -0.520 31.365 31.823 0.103 0.000 0.667 241 V HN 0.488 nan 8.190 nan 0.000 0.461 242 A N -0.165 122.775 122.820 0.201 0.000 1.835 242 A HA -0.149 3.977 4.320 -0.324 0.000 0.215 242 A C 1.997 179.740 177.584 0.266 0.000 1.199 242 A CA 2.092 54.277 52.037 0.247 0.000 0.615 242 A CB -0.844 18.241 19.000 0.141 0.000 0.838 242 A HN 0.485 nan 8.150 nan 0.000 0.444 243 L N -0.023 121.325 121.223 0.208 0.000 2.261 243 L HA -0.129 4.017 4.340 -0.324 0.000 0.216 243 L C 2.404 179.350 176.870 0.128 0.000 1.114 243 L CA 2.047 56.985 54.840 0.164 0.000 0.777 243 L CB -0.421 41.719 42.059 0.136 0.000 0.910 243 L HN 0.487 nan 8.230 nan 0.000 0.440 244 K N -0.386 120.086 120.400 0.120 0.000 2.284 244 K HA 0.003 4.129 4.320 -0.324 0.000 0.198 244 K C 1.240 177.855 176.600 0.026 0.000 1.048 244 K CA 0.803 57.133 56.287 0.071 0.000 0.987 244 K CB 0.439 32.978 32.500 0.065 0.000 0.800 244 K HN 0.386 nan 8.250 nan 0.000 0.486 245 E N -1.151 119.055 120.200 0.010 0.000 2.490 245 E HA 0.041 4.196 4.350 -0.324 0.000 0.209 245 E C -0.458 175.823 176.600 -0.532 0.000 0.971 245 E CA 0.017 56.269 56.400 -0.247 0.000 0.988 245 E CB 0.629 30.137 29.700 -0.320 0.000 1.029 245 E HN 0.184 nan 8.360 nan 0.000 0.496 246 Y N -0.168 120.200 120.300 0.114 0.000 2.614 246 Y HA 0.273 4.624 4.550 -0.331 0.000 0.296 246 Y C 1.299 177.359 175.900 0.267 0.000 0.942 246 Y CA -0.624 57.599 58.100 0.204 0.000 1.111 246 Y CB 0.440 38.945 38.460 0.074 0.000 1.182 246 Y HN -0.141 nan 8.280 nan 0.000 0.624 247 R N 1.449 122.105 120.500 0.259 0.000 2.081 247 R HA -0.140 4.005 4.340 -0.324 0.000 0.235 247 R C 0.538 176.916 176.300 0.130 0.000 1.131 247 R CA 2.477 58.678 56.100 0.169 0.000 0.960 247 R CB -0.267 30.088 30.300 0.091 0.000 0.856 247 R HN 0.424 nan 8.270 nan 0.000 0.436 248 D N -1.041 119.405 120.400 0.077 0.000 2.363 248 D HA -0.017 4.429 4.640 -0.324 0.000 0.226 248 D C 0.418 176.496 176.300 -0.371 0.000 1.020 248 D CA 0.547 54.432 54.000 -0.191 0.000 0.892 248 D CB -0.024 40.546 40.800 -0.384 0.000 0.900 248 D HN 0.336 nan 8.370 nan 0.000 0.531 249 F N -0.078 119.923 119.950 0.086 0.000 2.746 249 F HA 0.307 4.639 4.527 -0.324 0.000 0.313 249 F C 0.525 176.363 175.800 0.063 0.000 1.095 249 F CA -0.788 57.259 58.000 0.078 0.000 1.224 249 F CB 0.313 39.380 39.000 0.112 0.000 1.060 249 F HN -0.123 nan 8.300 nan 0.000 0.584 250 I N -2.423 118.295 120.570 0.246 0.000 3.108 250 I HA 0.827 4.803 4.170 -0.324 0.000 0.312 250 I C -0.995 175.194 176.117 0.119 0.000 1.095 250 I CA -1.481 59.916 61.300 0.163 0.000 1.000 250 I CB 2.238 40.333 38.000 0.158 0.000 1.229 250 I HN -0.329 nan 8.210 nan 0.000 0.454 251 V N 1.746 121.721 119.914 0.102 0.000 2.655 251 V HA 0.473 4.399 4.120 -0.324 0.000 0.301 251 V C 0.147 176.302 176.094 0.100 0.000 1.082 251 V CA -0.196 62.155 62.300 0.085 0.000 0.899 251 V CB 1.764 33.623 31.823 0.059 0.000 1.014 251 V HN 1.106 nan 8.190 nan 0.000 0.429 252 T N 0.242 114.861 114.554 0.109 0.000 2.856 252 T HA 0.185 4.341 4.350 -0.324 0.000 0.306 252 T C 1.024 175.779 174.700 0.092 0.000 1.062 252 T CA 0.325 62.507 62.100 0.138 0.000 1.083 252 T CB 1.397 70.317 68.868 0.087 0.000 0.984 252 T HN 0.774 nan 8.240 nan 0.000 0.542 253 E N 0.319 120.585 120.200 0.110 0.000 2.017 253 E HA -0.208 3.947 4.350 -0.324 0.000 0.193 253 E C 2.017 178.643 176.600 0.043 0.000 0.997 253 E CA 1.355 57.800 56.400 0.076 0.000 0.804 253 E CB -0.140 29.615 29.700 0.092 0.000 0.757 253 E HN 0.911 nan 8.360 nan 0.000 0.448 254 E N 0.123 120.338 120.200 0.026 0.000 2.333 254 E HA -0.257 3.899 4.350 -0.324 0.000 0.200 254 E C 1.613 178.211 176.600 -0.003 0.000 1.010 254 E CA 1.058 57.457 56.400 -0.002 0.000 0.841 254 E CB 0.097 29.774 29.700 -0.038 0.000 0.757 254 E HN 0.341 nan 8.360 nan 0.000 0.508 255 E N 0.113 120.317 120.200 0.006 0.000 2.060 255 E HA -0.120 4.035 4.350 -0.324 0.000 0.189 255 E C 2.336 178.943 176.600 0.011 0.000 0.974 255 E CA 1.107 57.512 56.400 0.007 0.000 0.808 255 E CB -0.146 29.564 29.700 0.016 0.000 0.768 255 E HN 0.441 nan 8.360 nan 0.000 0.453 256 I N 1.213 121.794 120.570 0.018 0.000 2.099 256 I HA -0.301 3.675 4.170 -0.324 0.000 0.239 256 I C 1.856 177.979 176.117 0.010 0.000 1.066 256 I CA 1.924 63.233 61.300 0.015 0.000 1.324 256 I CB -0.967 37.045 38.000 0.020 0.000 1.037 256 I HN -0.002 nan 8.210 nan 0.000 0.401 257 N N 0.601 119.308 118.700 0.010 0.000 2.364 257 N HA -0.189 4.356 4.740 -0.324 0.000 0.183 257 N C 1.314 176.826 175.510 0.003 0.000 1.022 257 N CA 0.984 54.038 53.050 0.007 0.000 0.883 257 N CB -0.649 37.842 38.487 0.008 0.000 0.965 257 N HN 0.513 nan 8.380 nan 0.000 0.438 258 Q N 0.520 120.321 119.800 0.002 0.000 2.414 258 Q HA 0.296 4.441 4.340 -0.324 0.000 0.286 258 Q C 0.646 176.646 176.000 -0.000 0.000 0.941 258 Q CA 0.299 56.101 55.803 -0.001 0.000 0.951 258 Q CB -0.176 28.559 28.738 -0.005 0.000 1.188 258 Q HN 0.567 nan 8.270 nan 0.000 0.418 259 G N 1.292 110.093 108.800 0.001 0.000 2.846 259 G HA2 -0.241 3.524 3.960 -0.324 0.000 0.225 259 G HA3 -0.241 3.524 3.960 -0.324 0.000 0.225 259 G C -0.784 174.117 174.900 0.002 0.000 1.285 259 G CA -0.902 44.198 45.100 0.001 0.000 1.055 259 G HN 0.321 nan 8.290 nan 0.000 0.579 260 K N 3.023 123.424 120.400 0.002 0.000 2.320 260 K HA 0.141 4.266 4.320 -0.324 0.000 0.269 260 K C -0.979 175.624 176.600 0.005 0.000 1.182 260 K CA 0.119 56.407 56.287 0.002 0.000 1.190 260 K CB 1.062 33.562 32.500 0.001 0.000 0.850 260 K HN 0.317 nan 8.250 nan 0.000 0.467 261 P HA -0.148 nan 4.420 nan 0.000 0.206 261 P C -0.463 176.842 177.300 0.009 0.000 1.209 261 P CA 1.050 64.154 63.100 0.008 0.000 0.923 261 P CB 0.113 31.817 31.700 0.006 0.000 0.761 262 D N -0.576 119.827 120.400 0.005 0.000 2.837 262 D HA -0.139 4.307 4.640 -0.324 0.000 0.230 262 D C 0.756 177.061 176.300 0.009 0.000 1.152 262 D CA 0.822 54.823 54.000 0.003 0.000 0.736 262 D CB -2.029 38.771 40.800 -0.000 0.000 1.084 262 D HN 0.507 nan 8.370 nan 0.000 0.429 263 Q N -0.294 119.513 119.800 0.012 0.000 2.319 263 Q HA 0.115 4.261 4.340 -0.324 0.000 0.217 263 Q C 1.045 177.055 176.000 0.017 0.000 0.924 263 Q CA 0.879 56.693 55.803 0.018 0.000 0.964 263 Q CB -0.441 28.309 28.738 0.019 0.000 1.025 263 Q HN 0.388 nan 8.270 nan 0.000 0.465 264 G N 0.849 109.656 108.800 0.011 0.000 3.518 264 G HA2 0.219 3.985 3.960 -0.324 0.000 0.273 264 G HA3 0.219 3.985 3.960 -0.324 0.000 0.273 264 G C -0.235 174.672 174.900 0.013 0.000 1.199 264 G CA -0.398 44.707 45.100 0.009 0.000 0.899 264 G HN 0.247 nan 8.290 nan 0.000 0.533 265 K N -0.723 119.692 120.400 0.025 0.000 2.495 265 K HA 0.520 4.645 4.320 -0.324 0.000 0.268 265 K C -1.028 175.608 176.600 0.060 0.000 1.008 265 K CA -1.134 55.180 56.287 0.045 0.000 0.882 265 K CB 1.681 34.205 32.500 0.039 0.000 1.443 265 K HN -0.068 nan 8.250 nan 0.000 0.447 266 I N 2.008 122.630 120.570 0.085 0.000 2.683 266 I HA 0.002 3.978 4.170 -0.324 0.000 0.286 266 I C 0.042 176.197 176.117 0.064 0.000 1.175 266 I CA 0.519 61.859 61.300 0.066 0.000 1.429 266 I CB -0.119 37.916 38.000 0.059 0.000 1.371 266 I HN 0.305 nan 8.210 nan 0.000 0.569 267 I N 6.610 127.211 120.570 0.052 0.000 2.440 267 I HA 0.377 4.352 4.170 -0.324 0.000 0.294 267 I C -0.435 175.718 176.117 0.060 0.000 0.995 267 I CA -0.718 60.618 61.300 0.060 0.000 1.306 267 I CB 1.270 39.301 38.000 0.052 0.000 1.407 267 I HN 0.337 nan 8.210 nan 0.000 0.501 268 L N 7.573 128.849 121.223 0.088 0.000 2.385 268 L HA 0.608 4.754 4.340 -0.324 0.000 0.273 268 L C -0.824 176.139 176.870 0.155 0.000 0.990 268 L CA -0.026 54.866 54.840 0.087 0.000 0.821 268 L CB 1.340 43.456 42.059 0.095 0.000 1.279 268 L HN 0.831 nan 8.230 nan 0.000 0.412 269 N N 2.016 120.784 118.700 0.113 0.000 3.039 269 N HA 0.538 5.084 4.740 -0.324 0.000 0.257 269 N C -2.192 173.401 175.510 0.139 0.000 1.497 269 N CA -0.592 52.575 53.050 0.196 0.000 0.861 269 N CB 1.574 40.154 38.487 0.155 0.000 1.479 269 N HN 0.594 nan 8.380 nan 0.000 0.547 270 D N -1.293 119.241 120.400 0.224 0.000 2.570 270 D HA 0.566 5.012 4.640 -0.324 0.000 0.244 270 D C -0.891 175.536 176.300 0.211 0.000 1.178 270 D CA -0.491 53.651 54.000 0.237 0.000 0.881 270 D CB 2.541 43.563 40.800 0.370 0.000 1.453 270 D HN 0.462 nan 8.370 nan 0.000 0.447 271 R N 0.196 120.769 120.500 0.122 0.000 2.680 271 R HA 0.360 4.505 4.340 -0.324 0.000 0.269 271 R C -0.871 175.245 176.300 -0.308 0.000 1.026 271 R CA -0.823 55.267 56.100 -0.017 0.000 0.889 271 R CB 1.384 31.704 30.300 0.033 0.000 1.241 271 R HN 0.436 nan 8.270 nan 0.000 0.463 272 I N 1.514 121.927 120.570 -0.262 0.000 2.634 272 I HA 0.063 4.039 4.170 -0.324 0.000 0.284 272 I C 1.698 177.663 176.117 -0.253 0.000 1.124 272 I CA 0.402 61.491 61.300 -0.352 0.000 1.417 272 I CB 1.080 38.981 38.000 -0.164 0.000 1.396 272 I HN 0.835 nan 8.210 nan 0.000 0.571 273 A N 3.890 126.555 122.820 -0.258 0.000 1.969 273 A HA -0.195 3.930 4.320 -0.324 0.000 0.218 273 A C 1.768 179.330 177.584 -0.036 0.000 1.169 273 A CA 1.636 53.566 52.037 -0.179 0.000 0.635 273 A CB -1.032 17.887 19.000 -0.136 0.000 0.810 273 A HN 0.921 nan 8.150 nan 0.000 0.445 274 D N 1.143 121.541 120.400 -0.004 0.000 2.104 274 D HA -0.258 4.188 4.640 -0.324 0.000 0.194 274 D C 1.336 177.686 176.300 0.083 0.000 0.994 274 D CA 1.763 55.801 54.000 0.062 0.000 0.830 274 D CB -0.826 39.982 40.800 0.013 0.000 0.959 274 D HN 0.694 nan 8.370 nan 0.000 0.452 275 N N -0.956 117.760 118.700 0.027 0.000 2.467 275 N HA -0.056 4.489 4.740 -0.324 0.000 0.184 275 N C 1.753 177.289 175.510 0.042 0.000 1.106 275 N CA 0.236 53.309 53.050 0.039 0.000 0.892 275 N CB -0.244 38.254 38.487 0.018 0.000 0.969 275 N HN 0.205 nan 8.380 nan 0.000 0.454 276 M N -0.560 119.026 119.600 -0.024 0.000 2.175 276 M HA 0.047 4.333 4.480 -0.324 0.000 0.264 276 M C 0.596 176.831 176.300 -0.109 0.000 1.063 276 M CA 1.423 56.669 55.300 -0.089 0.000 1.119 276 M CB -0.071 32.339 32.600 -0.316 0.000 1.377 276 M HN 0.125 nan 8.290 nan 0.000 0.415 277 F N 0.424 120.375 119.950 0.001 0.000 2.546 277 F HA -0.139 4.193 4.527 -0.324 0.000 0.298 277 F C 2.170 177.986 175.800 0.026 0.000 1.120 277 F CA 1.126 59.130 58.000 0.005 0.000 1.456 277 F CB -0.351 38.636 39.000 -0.023 0.000 1.088 277 F HN 0.303 nan 8.300 nan 0.000 0.572 278 Q N -0.905 119.001 119.800 0.178 0.000 2.165 278 Q HA -0.092 4.054 4.340 -0.324 0.000 0.197 278 Q C 2.146 178.205 176.000 0.099 0.000 0.952 278 Q CA 0.544 56.417 55.803 0.118 0.000 0.848 278 Q CB -0.265 28.520 28.738 0.078 0.000 0.931 278 Q HN 0.283 nan 8.270 nan 0.000 0.470 279 Q N 1.138 121.001 119.800 0.105 0.000 2.061 279 Q HA -0.167 3.979 4.340 -0.324 0.000 0.204 279 Q C 2.335 178.410 176.000 0.125 0.000 0.984 279 Q CA 1.467 57.324 55.803 0.090 0.000 0.846 279 Q CB -0.373 28.435 28.738 0.116 0.000 0.902 279 Q HN 0.586 nan 8.270 nan 0.000 0.421 280 I N -2.343 118.368 120.570 0.236 0.000 2.530 280 I HA -0.206 3.770 4.170 -0.324 0.000 0.257 280 I C 2.013 178.202 176.117 0.121 0.000 1.179 280 I CA 1.220 62.652 61.300 0.221 0.000 1.440 280 I CB -0.482 37.606 38.000 0.147 0.000 1.087 280 I HN 0.022 nan 8.210 nan 0.000 0.440 281 I N 1.284 121.915 120.570 0.103 0.000 2.585 281 I HA -0.080 3.896 4.170 -0.324 0.000 0.254 281 I C 2.467 178.609 176.117 0.042 0.000 1.129 281 I CA 0.964 62.308 61.300 0.073 0.000 1.455 281 I CB -0.016 38.032 38.000 0.079 0.000 1.111 281 I HN 0.299 nan 8.210 nan 0.000 0.433 282 I N 0.170 120.759 120.570 0.032 0.000 3.035 282 I HA 0.020 3.996 4.170 -0.324 0.000 0.271 282 I C 1.053 177.161 176.117 -0.014 0.000 1.190 282 I CA 0.651 61.957 61.300 0.010 0.000 1.472 282 I CB 0.009 38.014 38.000 0.010 0.000 1.116 282 I HN 0.136 nan 8.210 nan 0.000 0.443 283 R N 0.129 120.608 120.500 -0.035 0.000 2.924 283 R HA 0.409 4.554 4.340 -0.324 0.000 0.233 283 R C -2.451 173.778 176.300 -0.119 0.000 1.685 283 R CA -1.033 55.021 56.100 -0.076 0.000 1.462 283 R CB -0.240 30.007 30.300 -0.088 0.000 1.542 283 R HN -0.032 nan 8.270 nan 0.000 0.667 284 P HA -0.242 nan 4.420 nan 0.000 0.226 284 P C 0.370 177.644 177.300 -0.043 0.000 1.146 284 P CA 1.179 64.279 63.100 0.000 0.000 0.773 284 P CB 0.394 32.123 31.700 0.048 0.000 0.772 285 E N 0.778 120.920 120.200 -0.096 0.000 2.347 285 E HA -0.185 3.971 4.350 -0.324 0.000 0.196 285 E C 1.508 178.035 176.600 -0.122 0.000 1.008 285 E CA 0.718 57.067 56.400 -0.084 0.000 0.852 285 E CB -0.544 29.099 29.700 -0.096 0.000 0.783 285 E HN 0.156 nan 8.360 nan 0.000 0.505 286 E N 0.074 120.119 120.200 -0.258 0.000 2.516 286 E HA -0.038 4.117 4.350 -0.324 0.000 0.199 286 E C -0.816 175.544 176.600 -0.399 0.000 1.069 286 E CA 0.377 56.556 56.400 -0.368 0.000 0.876 286 E CB 0.001 29.380 29.700 -0.535 0.000 0.843 286 E HN 0.240 nan 8.360 nan 0.000 0.530 287 Y N -0.588 119.705 120.300 -0.012 0.000 2.364 287 Y HA 0.312 4.668 4.550 -0.323 0.000 0.340 287 Y C 0.593 176.498 175.900 0.007 0.000 0.975 287 Y CA -1.427 56.668 58.100 -0.008 0.000 1.089 287 Y CB 1.577 40.025 38.460 -0.020 0.000 1.192 287 Y HN -0.146 nan 8.280 nan 0.000 0.454 288 D N 1.331 121.845 120.400 0.189 0.000 2.931 288 D HA 0.266 4.712 4.640 -0.324 0.000 0.241 288 D C -0.265 176.105 176.300 0.118 0.000 1.494 288 D CA 0.361 54.435 54.000 0.124 0.000 1.260 288 D CB 0.413 41.267 40.800 0.090 0.000 0.953 288 D HN 0.432 nan 8.370 nan 0.000 0.240 289 I N 2.180 122.800 120.570 0.084 0.000 2.304 289 I HA 0.258 4.233 4.170 -0.324 0.000 0.291 289 I C -0.214 175.917 176.117 0.023 0.000 1.018 289 I CA -0.369 60.963 61.300 0.054 0.000 1.260 289 I CB 1.384 39.354 38.000 -0.051 0.000 1.390 289 I HN 0.127 nan 8.210 nan 0.000 0.475 290 I N 7.326 127.914 120.570 0.030 0.000 2.331 290 I HA 0.311 4.286 4.170 -0.324 0.000 0.292 290 I C -0.290 175.835 176.117 0.012 0.000 0.998 290 I CA -0.379 60.894 61.300 -0.046 0.000 1.267 290 I CB 1.316 39.221 38.000 -0.158 0.000 1.386 290 I HN 0.396 nan 8.210 nan 0.000 0.476 291 L N 6.653 127.875 121.223 -0.002 0.000 2.313 291 L HA 0.842 4.988 4.340 -0.324 0.000 0.283 291 L C -0.341 176.544 176.870 0.026 0.000 1.013 291 L CA -0.179 54.705 54.840 0.072 0.000 0.816 291 L CB 1.510 43.618 42.059 0.082 0.000 1.236 291 L HN 0.811 nan 8.230 nan 0.000 0.419 292 A N 6.196 129.000 122.820 -0.025 0.000 2.601 292 A HA 0.814 4.940 4.320 -0.324 0.000 0.291 292 A C -2.923 174.347 177.584 -0.522 0.000 1.075 292 A CA -1.027 50.809 52.037 -0.336 0.000 0.671 292 A CB 1.865 20.715 19.000 -0.250 0.000 1.277 292 A HN 0.414 nan 8.150 nan 0.000 0.417 293 P HA 0.117 nan 4.420 nan 0.000 0.275 293 P C 0.414 177.554 177.300 -0.268 0.000 1.266 293 P CA -0.209 62.544 63.100 -0.579 0.000 0.793 293 P CB 0.675 32.025 31.700 -0.584 0.000 1.074 294 N N 0.026 118.610 118.700 -0.193 0.000 2.036 294 N HA -0.164 4.382 4.740 -0.324 0.000 0.199 294 N C 1.716 176.956 175.510 -0.450 0.000 1.036 294 N CA 1.460 54.346 53.050 -0.275 0.000 0.870 294 N CB -1.100 37.205 38.487 -0.305 0.000 1.055 294 N HN 0.145 nan 8.380 nan 0.000 0.436 295 V N 1.342 120.952 119.914 -0.505 0.000 2.270 295 V HA -0.185 3.741 4.120 -0.324 0.000 0.245 295 V C 1.869 177.950 176.094 -0.022 0.000 1.043 295 V CA 1.642 63.708 62.300 -0.390 0.000 1.014 295 V CB -0.585 31.129 31.823 -0.181 0.000 0.645 295 V HN 0.316 nan 8.190 nan 0.000 0.447 296 N N 1.129 119.818 118.700 -0.018 0.000 2.005 296 N HA -0.170 4.375 4.740 -0.324 0.000 0.199 296 N C 1.825 177.365 175.510 0.049 0.000 1.054 296 N CA 2.148 55.229 53.050 0.052 0.000 0.864 296 N CB -1.312 37.115 38.487 -0.100 0.000 1.063 296 N HN 0.556 nan 8.380 nan 0.000 0.428 297 G N 0.000 108.758 108.800 -0.070 0.000 2.499 297 G HA2 -0.282 3.484 3.960 -0.324 0.000 0.221 297 G HA3 -0.282 3.484 3.960 -0.324 0.000 0.221 297 G C 1.269 176.151 174.900 -0.030 0.000 1.109 297 G CA 1.205 46.268 45.100 -0.062 0.000 0.749 297 G HN 0.406 nan 8.290 nan 0.000 0.568 298 D N -0.979 119.387 120.400 -0.056 0.000 2.183 298 D HA -0.061 4.385 4.640 -0.324 0.000 0.203 298 D C 1.854 178.089 176.300 -0.110 0.000 0.969 298 D CA 0.684 54.620 54.000 -0.105 0.000 0.842 298 D CB -0.074 40.633 40.800 -0.156 0.000 0.957 298 D HN 0.408 nan 8.370 nan 0.000 0.484 299 Y N -0.519 119.839 120.300 0.096 0.000 2.347 299 Y HA 0.155 4.510 4.550 -0.326 0.000 0.294 299 Y C 1.978 178.064 175.900 0.311 0.000 1.117 299 Y CA 0.120 58.326 58.100 0.176 0.000 1.184 299 Y CB -0.233 38.345 38.460 0.197 0.000 1.047 299 Y HN -0.024 nan 8.280 nan 0.000 0.546 300 I N -0.690 120.103 120.570 0.372 0.000 2.394 300 I HA -0.242 3.733 4.170 -0.324 0.000 0.251 300 I C 2.200 178.368 176.117 0.086 0.000 1.136 300 I CA 1.276 62.646 61.300 0.116 0.000 1.425 300 I CB -0.435 37.447 38.000 -0.197 0.000 1.079 300 I HN -0.017 nan 8.210 nan 0.000 0.425 301 S N 0.377 116.114 115.700 0.061 0.000 2.382 301 S HA -0.166 4.110 4.470 -0.324 0.000 0.228 301 S C 1.620 176.250 174.600 0.050 0.000 1.027 301 S CA 1.569 59.784 58.200 0.025 0.000 0.991 301 S CB -0.364 62.831 63.200 -0.010 0.000 0.823 301 S HN 0.549 nan 8.310 nan 0.000 0.469 302 D N 1.424 121.874 120.400 0.083 0.000 2.162 302 D HA 0.103 4.548 4.640 -0.324 0.000 0.203 302 D C 2.183 178.547 176.300 0.108 0.000 0.967 302 D CA 0.941 54.988 54.000 0.077 0.000 0.840 302 D CB -0.342 40.499 40.800 0.069 0.000 0.972 302 D HN 0.374 nan 8.370 nan 0.000 0.482 303 A N 1.837 124.766 122.820 0.180 0.000 1.865 303 A HA 0.063 4.189 4.320 -0.324 0.000 0.217 303 A C 1.589 179.254 177.584 0.134 0.000 1.191 303 A CA 1.486 53.643 52.037 0.200 0.000 0.623 303 A CB -0.710 18.529 19.000 0.398 0.000 0.826 303 A HN 0.273 nan 8.150 nan 0.000 0.444 304 A N -2.954 119.930 122.820 0.107 0.000 2.346 304 A HA 0.471 4.597 4.320 -0.324 0.000 0.252 304 A C 1.798 179.420 177.584 0.064 0.000 1.089 304 A CA 0.530 52.610 52.037 0.073 0.000 0.797 304 A CB -0.461 18.564 19.000 0.040 0.000 1.047 304 A HN 2.151 nan 8.150 nan 0.000 0.494 305 G N -0.628 108.209 108.800 0.061 0.000 2.458 305 G HA2 -0.116 3.650 3.960 -0.324 0.000 0.237 305 G HA3 -0.116 3.650 3.960 -0.324 0.000 0.237 305 G C 1.264 176.196 174.900 0.053 0.000 1.113 305 G CA 1.201 46.333 45.100 0.052 0.000 0.655 305 G HN 2.054 nan 8.290 nan 0.000 0.513 306 A N -0.323 122.532 122.820 0.058 0.000 2.238 306 A HA 0.642 4.768 4.320 -0.324 0.000 0.208 306 A C 2.186 179.803 177.584 0.055 0.000 1.177 306 A CA 1.697 53.764 52.037 0.051 0.000 0.804 306 A CB -0.143 18.891 19.000 0.056 0.000 0.823 306 A HN 0.625 nan 8.150 nan 0.000 0.482 307 L N -0.123 121.139 121.223 0.066 0.000 2.068 307 L HA -0.019 4.127 4.340 -0.324 0.000 0.204 307 L C 2.339 179.258 176.870 0.083 0.000 1.076 307 L CA 1.819 56.700 54.840 0.068 0.000 0.753 307 L CB -0.420 41.683 42.059 0.073 0.000 0.910 307 L HN 0.650 nan 8.230 nan 0.000 0.439 308 I N -4.771 115.862 120.570 0.105 0.000 3.419 308 I HA 0.351 4.326 4.170 -0.324 0.000 0.286 308 I C 1.760 177.929 176.117 0.086 0.000 1.268 308 I CA 0.746 62.140 61.300 0.156 0.000 1.414 308 I CB -0.297 37.806 38.000 0.172 0.000 1.074 308 I HN 0.275 nan 8.210 nan 0.000 0.457 309 G N 2.275 111.102 108.800 0.044 0.000 3.444 309 G HA2 -0.363 3.403 3.960 -0.324 0.000 0.222 309 G HA3 -0.363 3.403 3.960 -0.324 0.000 0.222 309 G C 0.177 175.065 174.900 -0.021 0.000 1.358 309 G CA 0.463 45.563 45.100 0.001 0.000 0.880 309 G HN 0.540 nan 8.290 nan 0.000 0.555 310 N N 1.717 120.398 118.700 -0.031 0.000 2.819 310 N HA 0.439 4.985 4.740 -0.324 0.000 0.284 310 N C 1.277 176.787 175.510 -0.001 0.000 1.196 310 N CA 0.092 53.120 53.050 -0.038 0.000 1.114 310 N CB 0.690 39.141 38.487 -0.060 0.000 1.437 310 N HN 0.432 nan 8.380 nan 0.000 0.518 311 I N 0.922 121.498 120.570 0.011 0.000 2.208 311 I HA -0.136 3.839 4.170 -0.324 0.000 0.245 311 I C 2.067 178.219 176.117 0.059 0.000 1.097 311 I CA 1.377 62.696 61.300 0.031 0.000 1.363 311 I CB -0.386 37.631 38.000 0.029 0.000 1.051 311 I HN 0.510 nan 8.210 nan 0.000 0.413 312 G N -0.379 108.465 108.800 0.074 0.000 2.708 312 G HA2 -0.135 3.631 3.960 -0.324 0.000 0.210 312 G HA3 -0.135 3.631 3.960 -0.324 0.000 0.210 312 G C 1.332 176.340 174.900 0.180 0.000 1.141 312 G CA 0.283 45.479 45.100 0.160 0.000 0.788 312 G HN 0.422 nan 8.290 nan 0.000 0.531 313 M N 0.091 119.743 119.600 0.087 0.000 2.356 313 M HA 0.374 4.660 4.480 -0.324 0.000 0.262 313 M C 0.021 176.357 176.300 0.059 0.000 1.097 313 M CA 0.066 55.408 55.300 0.069 0.000 0.991 313 M CB 0.559 33.171 32.600 0.019 0.000 1.450 313 M HN -0.030 nan 8.290 nan 0.000 0.495 314 L N -0.186 121.070 121.223 0.055 0.000 2.360 314 L HA 0.699 4.845 4.340 -0.324 0.000 0.271 314 L C 0.487 177.366 176.870 0.015 0.000 1.057 314 L CA -0.780 54.080 54.840 0.032 0.000 0.803 314 L CB 1.466 43.538 42.059 0.022 0.000 1.207 314 L HN 0.060 nan 8.230 nan 0.000 0.445 315 G N 0.024 108.832 108.800 0.013 0.000 2.498 315 G HA2 0.742 4.507 3.960 -0.324 0.000 0.312 315 G HA3 0.742 4.507 3.960 -0.324 0.000 0.312 315 G C -1.002 173.891 174.900 -0.012 0.000 1.230 315 G CA -0.495 44.608 45.100 0.005 0.000 0.968 315 G HN 0.799 nan 8.290 nan 0.000 0.481 316 G N -1.500 107.284 108.800 -0.028 0.000 2.695 316 G HA2 0.877 4.642 3.960 -0.324 0.000 0.290 316 G HA3 0.877 4.642 3.960 -0.324 0.000 0.290 316 G C -1.108 173.722 174.900 -0.118 0.000 1.410 316 G CA 0.114 45.165 45.100 -0.082 0.000 0.844 316 G HN 1.453 nan 8.290 nan 0.000 0.478 317 A N -0.336 122.326 122.820 -0.263 0.000 2.527 317 A HA 0.858 4.984 4.320 -0.324 0.000 0.293 317 A C -1.000 176.246 177.584 -0.563 0.000 1.117 317 A CA -0.847 50.877 52.037 -0.521 0.000 0.723 317 A CB 1.889 20.484 19.000 -0.674 0.000 1.313 317 A HN 0.608 nan 8.150 nan 0.000 0.411 318 N N -0.212 118.080 118.700 -0.680 0.000 2.540 318 N HA 0.574 5.120 4.740 -0.324 0.000 0.275 318 N C -1.624 173.502 175.510 -0.641 0.000 1.053 318 N CA -0.117 52.611 53.050 -0.537 0.000 0.876 318 N CB 1.162 39.427 38.487 -0.369 0.000 1.284 318 N HN 0.496 nan 8.380 nan 0.000 0.518 319 I N 1.189 121.349 120.570 -0.683 0.000 2.525 319 I HA 0.673 4.648 4.170 -0.324 0.000 0.301 319 I C 1.024 176.749 176.117 -0.653 0.000 0.992 319 I CA -0.343 60.562 61.300 -0.658 0.000 1.162 319 I CB 1.861 39.354 38.000 -0.845 0.000 1.332 319 I HN 0.448 nan 8.210 nan 0.000 0.458 320 G N 2.257 110.773 108.800 -0.473 0.000 3.140 320 G HA2 0.274 4.040 3.960 -0.324 0.000 0.271 320 G HA3 0.274 4.040 3.960 -0.324 0.000 0.271 320 G C 0.043 174.837 174.900 -0.176 0.000 1.370 320 G CA -0.315 44.505 45.100 -0.466 0.000 1.014 320 G HN 0.517 nan 8.290 nan 0.000 0.541 321 D N -0.028 120.414 120.400 0.070 0.000 2.264 321 D HA -0.038 4.408 4.640 -0.324 0.000 0.208 321 D C 0.661 176.864 176.300 -0.162 0.000 0.966 321 D CA 1.305 55.367 54.000 0.103 0.000 0.864 321 D CB 0.369 41.266 40.800 0.163 0.000 0.933 321 D HN 0.702 nan 8.370 nan 0.000 0.499 322 E N -0.528 119.379 120.200 -0.489 0.000 3.286 322 E HA 0.516 4.672 4.350 -0.324 0.000 0.309 322 E C -0.112 175.427 176.600 -1.768 0.000 1.174 322 E CA -0.827 54.727 56.400 -1.411 0.000 0.984 322 E CB 0.648 29.833 29.700 -0.857 0.000 1.401 322 E HN 0.009 nan 8.360 nan 0.000 0.388 323 G N -0.154 107.873 108.800 -1.287 0.000 2.325 323 G HA2 0.582 4.347 3.960 -0.324 0.000 0.297 323 G HA3 0.582 4.347 3.960 -0.324 0.000 0.297 323 G C -1.062 173.750 174.900 -0.146 0.000 1.448 323 G CA -0.190 44.602 45.100 -0.512 0.000 0.838 323 G HN 0.639 nan 8.290 nan 0.000 0.579 324 G N -0.887 107.925 108.800 0.020 0.000 2.755 324 G HA2 0.675 4.440 3.960 -0.324 0.000 0.297 324 G HA3 0.675 4.440 3.960 -0.324 0.000 0.297 324 G C -1.114 173.682 174.900 -0.172 0.000 1.441 324 G CA -0.301 44.767 45.100 -0.053 0.000 0.964 324 G HN 1.044 nan 8.290 nan 0.000 0.540 325 M N 1.802 121.046 119.600 -0.594 0.000 2.259 325 M HA 0.802 5.088 4.480 -0.324 0.000 0.304 325 M C -1.888 173.984 176.300 -0.714 0.000 1.019 325 M CA -0.792 54.286 55.300 -0.370 0.000 0.922 325 M CB 1.442 33.905 32.600 -0.227 0.000 1.600 325 M HN 0.334 nan 8.290 nan 0.000 0.433 326 F N 3.220 123.163 119.950 -0.012 0.000 2.507 326 F HA 0.601 4.935 4.527 -0.323 0.000 0.325 326 F C -0.212 175.576 175.800 -0.020 0.000 1.116 326 F CA -0.455 57.527 58.000 -0.030 0.000 0.930 326 F CB 1.729 40.736 39.000 0.012 0.000 1.146 326 F HN 0.599 nan 8.300 nan 0.000 0.447 327 E N 1.295 121.535 120.200 0.067 0.000 2.430 327 E HA 0.817 4.973 4.350 -0.324 0.000 0.279 327 E C -1.695 174.866 176.600 -0.066 0.000 1.003 327 E CA -1.469 54.932 56.400 0.002 0.000 0.801 327 E CB 1.851 31.523 29.700 -0.047 0.000 1.313 327 E HN 0.637 nan 8.360 nan 0.000 0.459 328 A N 1.780 124.503 122.820 -0.162 0.000 2.351 328 A HA 0.325 4.451 4.320 -0.324 0.000 0.257 328 A C 0.179 177.566 177.584 -0.327 0.000 1.087 328 A CA -0.637 51.227 52.037 -0.289 0.000 0.798 328 A CB 0.372 19.012 19.000 -0.600 0.000 1.033 328 A HN 0.667 nan 8.150 nan 0.000 0.488 329 I N 4.485 124.930 120.570 -0.209 0.000 2.234 329 I HA 0.271 4.247 4.170 -0.324 0.000 0.287 329 I C -0.218 175.879 176.117 -0.034 0.000 1.131 329 I CA 0.363 61.593 61.300 -0.117 0.000 1.335 329 I CB -1.641 36.328 38.000 -0.053 0.000 1.511 329 I HN 0.864 nan 8.210 nan 0.000 0.588 330 H N 1.991 121.057 119.070 -0.007 0.000 2.932 330 H HA 0.526 4.888 4.556 -0.323 0.000 0.307 330 H C -0.539 174.781 175.328 -0.013 0.000 1.391 330 H CA -0.939 55.104 56.048 -0.009 0.000 1.130 330 H CB 0.937 30.698 29.762 -0.000 0.000 1.836 330 H HN 0.244 nan 8.280 nan 0.000 0.522 331 G N -0.788 108.151 108.800 0.231 0.000 2.508 331 G HA2 0.285 4.050 3.960 -0.324 0.000 0.278 331 G HA3 0.285 4.050 3.960 -0.324 0.000 0.278 331 G C 0.991 175.990 174.900 0.165 0.000 1.389 331 G CA 0.059 45.235 45.100 0.128 0.000 1.050 331 G HN 0.783 nan 8.290 nan 0.000 0.522 332 T N -3.186 111.408 114.554 0.068 0.000 3.129 332 T HA 0.361 4.517 4.350 -0.324 0.000 0.251 332 T C 1.484 176.183 174.700 -0.001 0.000 1.117 332 T CA 1.171 63.303 62.100 0.054 0.000 1.034 332 T CB -0.286 68.602 68.868 0.033 0.000 0.968 332 T HN 1.997 nan 8.240 nan 0.000 0.526 333 A N 3.119 125.905 122.820 -0.056 0.000 2.261 333 A HA -0.092 4.034 4.320 -0.324 0.000 0.282 333 A C -0.267 177.251 177.584 -0.110 0.000 1.403 333 A CA 0.583 52.533 52.037 -0.144 0.000 0.753 333 A CB -1.566 17.320 19.000 -0.191 0.000 1.125 333 A HN 0.561 nan 8.150 nan 0.000 0.358 334 P HA -0.207 nan 4.420 nan 0.000 0.221 334 P C 1.174 178.451 177.300 -0.039 0.000 1.145 334 P CA 1.584 64.660 63.100 -0.039 0.000 0.795 334 P CB 0.012 31.692 31.700 -0.033 0.000 0.775 335 K N -0.697 119.632 120.400 -0.118 0.000 2.147 335 K HA -0.113 4.013 4.320 -0.324 0.000 0.205 335 K C 1.820 178.498 176.600 0.131 0.000 1.049 335 K CA 1.281 57.517 56.287 -0.085 0.000 0.936 335 K CB -0.383 31.955 32.500 -0.270 0.000 0.722 335 K HN 0.385 nan 8.250 nan 0.000 0.446 336 Y N 0.416 120.705 120.300 -0.018 0.000 2.524 336 Y HA 0.296 4.652 4.550 -0.324 0.000 0.266 336 Y C 0.567 176.459 175.900 -0.014 0.000 1.180 336 Y CA -1.219 56.869 58.100 -0.020 0.000 1.244 336 Y CB 0.574 39.015 38.460 -0.032 0.000 1.125 336 Y HN -0.062 nan 8.280 nan 0.000 0.524 337 A N 0.681 123.578 122.820 0.129 0.000 2.520 337 A HA 0.379 4.505 4.320 -0.324 0.000 0.245 337 A C 1.463 179.085 177.584 0.063 0.000 1.072 337 A CA 0.792 52.876 52.037 0.077 0.000 0.761 337 A CB -0.555 18.474 19.000 0.048 0.000 1.004 337 A HN 0.793 nan 8.150 nan 0.000 0.499 338 G N 2.061 110.891 108.800 0.051 0.000 2.179 338 G HA2 -0.278 3.487 3.960 -0.324 0.000 0.257 338 G HA3 -0.278 3.487 3.960 -0.324 0.000 0.257 338 G C 0.552 175.469 174.900 0.027 0.000 1.010 338 G CA 0.947 46.069 45.100 0.035 0.000 0.736 338 G HN 0.847 nan 8.290 nan 0.000 0.513 339 K N -0.472 119.946 120.400 0.028 0.000 2.374 339 K HA 0.196 4.322 4.320 -0.324 0.000 0.202 339 K C 1.074 177.664 176.600 -0.018 0.000 1.040 339 K CA 0.090 56.379 56.287 0.003 0.000 1.085 339 K CB 0.402 32.900 32.500 -0.003 0.000 0.873 339 K HN 0.286 nan 8.250 nan 0.000 0.539 340 N N 0.647 119.346 118.700 -0.003 0.000 2.735 340 N HA -0.171 4.374 4.740 -0.324 0.000 0.248 340 N C -0.034 175.456 175.510 -0.033 0.000 1.083 340 N CA 0.525 53.571 53.050 -0.006 0.000 0.703 340 N CB -1.222 37.262 38.487 -0.005 0.000 1.005 340 N HN 0.049 nan 8.380 nan 0.000 0.550 341 V N -1.027 118.854 119.914 -0.056 0.000 3.473 341 V HA 0.443 4.368 4.120 -0.324 0.000 0.253 341 V C 1.227 177.265 176.094 -0.094 0.000 1.340 341 V CA 0.513 62.736 62.300 -0.128 0.000 1.103 341 V CB 0.072 31.720 31.823 -0.292 0.000 0.881 341 V HN 0.573 nan 8.190 nan 0.000 0.451 342 A N 1.668 124.483 122.820 -0.010 0.000 2.555 342 A HA 0.113 4.239 4.320 -0.324 0.000 0.233 342 A C 0.335 177.908 177.584 -0.019 0.000 1.060 342 A CA 0.500 52.553 52.037 0.027 0.000 0.759 342 A CB -0.219 18.809 19.000 0.048 0.000 0.995 342 A HN 0.422 nan 8.150 nan 0.000 0.506 343 N N 2.254 120.925 118.700 -0.048 0.000 2.408 343 N HA 0.255 4.800 4.740 -0.324 0.000 0.257 343 N C -1.641 173.879 175.510 0.017 0.000 1.064 343 N CA -2.082 50.921 53.050 -0.078 0.000 0.952 343 N CB 1.190 39.611 38.487 -0.110 0.000 1.093 343 N HN 0.349 nan 8.380 nan 0.000 0.490 344 P HA 0.046 nan 4.420 nan 0.000 0.249 344 P C 0.701 178.116 177.300 0.192 0.000 1.229 344 P CA 0.361 63.560 63.100 0.165 0.000 0.788 344 P CB 0.335 32.145 31.700 0.184 0.000 1.072 345 T N 0.179 114.847 114.554 0.190 0.000 2.665 345 T HA -0.150 4.006 4.350 -0.324 0.000 0.268 345 T C 2.118 176.900 174.700 0.137 0.000 1.035 345 T CA 2.106 64.315 62.100 0.181 0.000 1.151 345 T CB -1.122 67.822 68.868 0.127 0.000 0.862 345 T HN 0.206 nan 8.240 nan 0.000 0.438 346 G N 1.359 110.254 108.800 0.158 0.000 2.514 346 G HA2 -0.225 3.540 3.960 -0.324 0.000 0.217 346 G HA3 -0.225 3.540 3.960 -0.324 0.000 0.217 346 G C 1.559 176.497 174.900 0.064 0.000 1.198 346 G CA 1.033 46.207 45.100 0.123 0.000 0.780 346 G HN 0.487 nan 8.290 nan 0.000 0.565 347 I N 0.975 121.595 120.570 0.082 0.000 2.226 347 I HA -0.110 3.866 4.170 -0.324 0.000 0.245 347 I C 2.608 178.763 176.117 0.064 0.000 1.100 347 I CA 0.997 62.327 61.300 0.049 0.000 1.374 347 I CB -0.179 37.861 38.000 0.066 0.000 1.057 347 I HN 0.251 nan 8.210 nan 0.000 0.413 348 I N 0.374 120.990 120.570 0.076 0.000 2.264 348 I HA -0.300 3.675 4.170 -0.324 0.000 0.248 348 I C 2.294 178.451 176.117 0.067 0.000 1.111 348 I CA 1.127 62.467 61.300 0.066 0.000 1.382 348 I CB -0.581 37.464 38.000 0.076 0.000 1.060 348 I HN 0.151 nan 8.210 nan 0.000 0.418 349 K N 0.789 121.232 120.400 0.071 0.000 2.148 349 K HA -0.053 4.073 4.320 -0.324 0.000 0.204 349 K C 2.160 178.803 176.600 0.071 0.000 1.050 349 K CA 1.370 57.696 56.287 0.066 0.000 0.942 349 K CB -0.353 32.182 32.500 0.059 0.000 0.724 349 K HN 0.332 nan 8.250 nan 0.000 0.446 350 A N 0.697 123.563 122.820 0.077 0.000 1.898 350 A HA -0.042 4.084 4.320 -0.324 0.000 0.216 350 A C 2.438 180.079 177.584 0.096 0.000 1.181 350 A CA 1.890 54.000 52.037 0.121 0.000 0.620 350 A CB -0.995 18.080 19.000 0.126 0.000 0.819 350 A HN 0.352 nan 8.150 nan 0.000 0.442 351 G N -0.578 108.263 108.800 0.067 0.000 2.450 351 G HA2 -0.251 3.514 3.960 -0.324 0.000 0.220 351 G HA3 -0.251 3.514 3.960 -0.324 0.000 0.220 351 G C 1.460 176.364 174.900 0.007 0.000 1.130 351 G CA 1.118 46.239 45.100 0.034 0.000 0.760 351 G HN 0.672 nan 8.290 nan 0.000 0.557 352 E N -0.327 119.898 120.200 0.042 0.000 2.046 352 E HA -0.080 4.076 4.350 -0.324 0.000 0.190 352 E C 2.381 179.011 176.600 0.050 0.000 0.982 352 E CA 0.667 57.100 56.400 0.055 0.000 0.800 352 E CB -0.180 29.559 29.700 0.065 0.000 0.756 352 E HN 0.302 nan 8.360 nan 0.000 0.449 353 L N 1.041 122.306 121.223 0.070 0.000 2.131 353 L HA -0.143 4.003 4.340 -0.324 0.000 0.210 353 L C 2.307 179.217 176.870 0.067 0.000 1.092 353 L CA 1.628 56.548 54.840 0.132 0.000 0.759 353 L CB -0.378 41.800 42.059 0.199 0.000 0.903 353 L HN 0.278 nan 8.230 nan 0.000 0.435 354 M N -2.030 117.415 119.600 -0.259 0.000 2.099 354 M HA -0.180 4.106 4.480 -0.324 0.000 0.262 354 M C 1.989 178.085 176.300 -0.340 0.000 1.067 354 M CA 1.527 56.311 55.300 -0.860 0.000 1.124 354 M CB -0.089 31.802 32.600 -1.180 0.000 1.353 354 M HN 0.291 nan 8.290 nan 0.000 0.410 355 L N 0.875 122.015 121.223 -0.139 0.000 2.013 355 L HA -0.220 3.926 4.340 -0.324 0.000 0.212 355 L C 2.513 179.433 176.870 0.083 0.000 1.073 355 L CA 1.914 56.762 54.840 0.013 0.000 0.753 355 L CB -1.325 40.819 42.059 0.142 0.000 0.890 355 L HN 0.352 nan 8.230 nan 0.000 0.432 356 R N -1.942 118.623 120.500 0.108 0.000 2.083 356 R HA -0.262 3.884 4.340 -0.324 0.000 0.237 356 R C 2.234 178.628 176.300 0.157 0.000 1.137 356 R CA 1.732 57.934 56.100 0.170 0.000 0.951 356 R CB -0.628 29.710 30.300 0.064 0.000 0.851 356 R HN 0.451 nan 8.270 nan 0.000 0.434 357 W N 1.026 122.254 121.300 -0.119 0.000 2.392 357 W HA -0.103 4.360 4.660 -0.328 0.000 0.279 357 W C 1.695 177.931 176.519 -0.472 0.000 1.225 357 W CA 1.079 58.218 57.345 -0.343 0.000 1.233 357 W CB -0.061 29.020 29.460 -0.632 0.000 1.122 357 W HN 0.170 nan 8.180 nan 0.000 0.561 358 M N -0.399 119.118 119.600 -0.139 0.000 2.562 358 M HA 0.041 4.327 4.480 -0.324 0.000 0.257 358 M C 1.682 177.990 176.300 0.014 0.000 1.099 358 M CA 1.482 56.734 55.300 -0.081 0.000 1.099 358 M CB -0.434 31.929 32.600 -0.396 0.000 1.427 358 M HN 0.097 nan 8.290 nan 0.000 0.489 359 G N -0.804 108.051 108.800 0.091 0.000 2.157 359 G HA2 -0.200 3.566 3.960 -0.324 0.000 0.248 359 G HA3 -0.200 3.566 3.960 -0.324 0.000 0.248 359 G C -0.473 174.649 174.900 0.369 0.000 0.979 359 G CA -0.394 44.800 45.100 0.155 0.000 0.650 359 G HN 0.486 nan 8.290 nan 0.000 0.529 360 W N 2.303 123.655 121.300 0.087 0.000 1.714 360 W HA 0.465 4.931 4.660 -0.323 0.000 0.363 360 W C 0.956 177.596 176.519 0.202 0.000 0.724 360 W CA -1.452 56.001 57.345 0.180 0.000 1.804 360 W CB -0.830 28.762 29.460 0.219 0.000 1.900 360 W HN 0.145 nan 8.180 nan 0.000 0.296 361 N N 0.697 119.593 118.700 0.326 0.000 2.223 361 N HA -0.180 4.366 4.740 -0.324 0.000 0.185 361 N C 1.239 176.847 175.510 0.163 0.000 1.016 361 N CA 1.351 54.532 53.050 0.220 0.000 0.863 361 N CB -0.003 38.575 38.487 0.153 0.000 0.983 361 N HN 0.340 nan 8.380 nan 0.000 0.429 362 E N 1.434 121.731 120.200 0.161 0.000 2.051 362 E HA -0.062 4.093 4.350 -0.324 0.000 0.192 362 E C 2.111 178.671 176.600 -0.067 0.000 0.991 362 E CA 1.412 57.814 56.400 0.003 0.000 0.799 362 E CB -0.360 29.277 29.700 -0.104 0.000 0.748 362 E HN 0.384 nan 8.360 nan 0.000 0.449 363 A N 1.135 123.927 122.820 -0.047 0.000 1.883 363 A HA -0.149 3.977 4.320 -0.324 0.000 0.217 363 A C 2.402 180.025 177.584 0.066 0.000 1.186 363 A CA 2.025 54.052 52.037 -0.015 0.000 0.624 363 A CB -1.029 18.093 19.000 0.203 0.000 0.822 363 A HN 0.295 nan 8.150 nan 0.000 0.444 364 A N 0.051 122.950 122.820 0.132 0.000 1.883 364 A HA -0.228 3.898 4.320 -0.324 0.000 0.217 364 A C 1.762 179.386 177.584 0.068 0.000 1.186 364 A CA 2.078 54.180 52.037 0.109 0.000 0.624 364 A CB -0.693 18.388 19.000 0.135 0.000 0.822 364 A HN 0.466 nan 8.150 nan 0.000 0.444 365 D N -0.180 120.254 120.400 0.056 0.000 2.178 365 D HA -0.072 4.373 4.640 -0.324 0.000 0.202 365 D C 1.936 178.242 176.300 0.012 0.000 0.974 365 D CA 0.643 54.664 54.000 0.035 0.000 0.841 365 D CB -0.287 40.531 40.800 0.030 0.000 0.953 365 D HN 0.447 nan 8.370 nan 0.000 0.478 366 L N 0.384 121.602 121.223 -0.009 0.000 1.976 366 L HA -0.165 3.981 4.340 -0.324 0.000 0.209 366 L C 2.486 179.349 176.870 -0.012 0.000 1.071 366 L CA 0.929 55.754 54.840 -0.026 0.000 0.746 366 L CB -0.396 41.630 42.059 -0.055 0.000 0.890 366 L HN 0.040 nan 8.230 nan 0.000 0.432 367 I N -0.150 120.420 120.570 0.001 0.000 2.113 367 I HA -0.395 3.581 4.170 -0.324 0.000 0.242 367 I C 2.635 178.759 176.117 0.011 0.000 1.064 367 I CA 1.851 63.154 61.300 0.006 0.000 1.320 367 I CB -0.445 37.572 38.000 0.028 0.000 1.028 367 I HN 0.402 nan 8.210 nan 0.000 0.406 368 E N 1.484 121.698 120.200 0.024 0.000 2.070 368 E HA -0.289 3.867 4.350 -0.324 0.000 0.197 368 E C 2.163 178.773 176.600 0.018 0.000 1.004 368 E CA 1.749 58.166 56.400 0.028 0.000 0.805 368 E CB 0.047 29.770 29.700 0.038 0.000 0.744 368 E HN 0.421 nan 8.360 nan 0.000 0.451 369 K N 0.233 120.640 120.400 0.012 0.000 2.057 369 K HA -0.106 4.020 4.320 -0.324 0.000 0.207 369 K C 2.191 178.792 176.600 0.000 0.000 1.049 369 K CA 1.160 57.451 56.287 0.008 0.000 0.931 369 K CB -0.216 32.285 32.500 0.002 0.000 0.714 369 K HN 0.174 nan 8.250 nan 0.000 0.440 370 A N 1.616 124.430 122.820 -0.010 0.000 1.865 370 A HA -0.201 3.925 4.320 -0.324 0.000 0.217 370 A C 2.198 179.773 177.584 -0.015 0.000 1.191 370 A CA 1.596 53.618 52.037 -0.024 0.000 0.623 370 A CB -0.785 18.187 19.000 -0.046 0.000 0.826 370 A HN 0.208 nan 8.150 nan 0.000 0.444 371 I N 0.091 120.662 120.570 0.001 0.000 2.208 371 I HA -0.289 3.687 4.170 -0.324 0.000 0.245 371 I C 2.111 178.251 176.117 0.039 0.000 1.097 371 I CA 1.328 62.653 61.300 0.041 0.000 1.363 371 I CB -0.550 37.486 38.000 0.060 0.000 1.051 371 I HN 0.335 nan 8.210 nan 0.000 0.413 372 N N 0.753 119.463 118.700 0.017 0.000 2.166 372 N HA -0.150 4.395 4.740 -0.324 0.000 0.186 372 N C 1.889 177.408 175.510 0.015 0.000 1.019 372 N CA 1.491 54.545 53.050 0.006 0.000 0.856 372 N CB -0.253 38.239 38.487 0.008 0.000 0.993 372 N HN 0.394 nan 8.380 nan 0.000 0.426 373 M N 0.301 119.910 119.600 0.016 0.000 2.200 373 M HA 0.005 4.291 4.480 -0.324 0.000 0.265 373 M C 2.220 178.535 176.300 0.025 0.000 1.066 373 M CA 1.081 56.390 55.300 0.016 0.000 1.127 373 M CB -0.136 32.468 32.600 0.006 0.000 1.379 373 M HN 0.108 nan 8.290 nan 0.000 0.420 374 A N 0.522 123.364 122.820 0.036 0.000 1.930 374 A HA -0.097 4.029 4.320 -0.324 0.000 0.217 374 A C 2.040 179.678 177.584 0.089 0.000 1.175 374 A CA 1.394 53.471 52.037 0.068 0.000 0.627 374 A CB -0.764 18.295 19.000 0.098 0.000 0.815 374 A HN 0.447 nan 8.150 nan 0.000 0.443 375 I N -0.220 120.396 120.570 0.076 0.000 2.500 375 I HA -0.211 3.764 4.170 -0.324 0.000 0.252 375 I C 2.587 178.722 176.117 0.029 0.000 1.142 375 I CA 1.410 62.738 61.300 0.047 0.000 1.451 375 I CB -0.195 37.813 38.000 0.013 0.000 1.093 375 I HN 0.460 nan 8.210 nan 0.000 0.430 376 R N 0.128 120.644 120.500 0.027 0.000 2.189 376 R HA -0.107 4.039 4.340 -0.324 0.000 0.218 376 R C 1.175 177.495 176.300 0.032 0.000 1.074 376 R CA 1.407 57.525 56.100 0.029 0.000 0.991 376 R CB -0.385 29.933 30.300 0.030 0.000 0.883 376 R HN 0.122 nan 8.270 nan 0.000 0.457 377 D N 0.485 120.905 120.400 0.034 0.000 2.388 377 D HA 0.086 4.531 4.640 -0.324 0.000 0.221 377 D C -0.486 175.837 176.300 0.037 0.000 1.133 377 D CA -0.171 53.848 54.000 0.032 0.000 0.831 377 D CB 0.105 40.922 40.800 0.028 0.000 0.962 377 D HN 0.024 nan 8.370 nan 0.000 0.502 378 K N 0.134 120.559 120.400 0.040 0.000 3.035 378 K HA -0.184 3.942 4.320 -0.324 0.000 0.262 378 K C -0.650 175.980 176.600 0.049 0.000 1.024 378 K CA 0.533 56.845 56.287 0.040 0.000 0.748 378 K CB -1.168 31.352 32.500 0.033 0.000 1.247 378 K HN 0.129 nan 8.250 nan 0.000 0.482 379 K N 0.748 121.194 120.400 0.076 0.000 2.360 379 K HA 0.342 4.467 4.320 -0.324 0.000 0.235 379 K C 0.007 176.713 176.600 0.178 0.000 1.077 379 K CA -0.416 55.936 56.287 0.107 0.000 1.035 379 K CB 0.579 33.139 32.500 0.101 0.000 1.623 379 K HN 0.166 nan 8.250 nan 0.000 0.462 380 V N -1.824 118.133 119.914 0.072 0.000 3.160 380 V HA 0.595 4.521 4.120 -0.324 0.000 0.310 380 V C 0.221 176.230 176.094 -0.142 0.000 1.181 380 V CA -1.078 61.173 62.300 -0.082 0.000 1.047 380 V CB 1.514 33.284 31.823 -0.089 0.000 1.068 380 V HN 0.516 nan 8.190 nan 0.000 0.441 381 T N -0.549 113.822 114.554 -0.306 0.000 2.849 381 T HA 0.351 4.506 4.350 -0.324 0.000 0.284 381 T C 1.059 175.687 174.700 -0.120 0.000 1.004 381 T CA 0.429 62.407 62.100 -0.202 0.000 1.021 381 T CB 1.210 69.924 68.868 -0.256 0.000 1.013 381 T HN 1.266 nan 8.240 nan 0.000 0.527 382 Q N 1.424 121.166 119.800 -0.097 0.000 2.224 382 Q HA -0.304 3.842 4.340 -0.324 0.000 0.213 382 Q C 1.464 177.459 176.000 -0.008 0.000 0.998 382 Q CA 2.622 58.384 55.803 -0.068 0.000 0.895 382 Q CB -0.949 27.718 28.738 -0.120 0.000 0.926 382 Q HN 0.854 nan 8.270 nan 0.000 0.417 383 D N -0.102 120.296 120.400 -0.004 0.000 2.218 383 D HA -0.156 4.290 4.640 -0.324 0.000 0.204 383 D C 1.490 177.871 176.300 0.135 0.000 0.976 383 D CA 1.184 55.230 54.000 0.076 0.000 0.853 383 D CB 0.014 40.832 40.800 0.029 0.000 0.939 383 D HN 0.420 nan 8.370 nan 0.000 0.481 384 I N 0.711 121.320 120.570 0.065 0.000 3.445 384 I HA 0.121 4.096 4.170 -0.324 0.000 0.288 384 I C 2.645 178.841 176.117 0.131 0.000 1.198 384 I CA 0.297 61.648 61.300 0.085 0.000 1.417 384 I CB -0.997 36.990 38.000 -0.022 0.000 1.205 384 I HN -0.044 nan 8.210 nan 0.000 0.448 385 A N 1.438 124.294 122.820 0.060 0.000 1.908 385 A HA -0.212 3.914 4.320 -0.324 0.000 0.218 385 A C 2.385 180.000 177.584 0.052 0.000 1.181 385 A CA 1.514 53.576 52.037 0.041 0.000 0.627 385 A CB -0.658 18.342 19.000 -0.000 0.000 0.818 385 A HN 0.288 nan 8.150 nan 0.000 0.445 386 R N -1.841 118.686 120.500 0.046 0.000 2.154 386 R HA -0.176 3.970 4.340 -0.324 0.000 0.248 386 R C 1.051 177.238 176.300 -0.189 0.000 1.155 386 R CA 1.816 57.860 56.100 -0.093 0.000 0.979 386 R CB -0.360 29.840 30.300 -0.167 0.000 0.869 386 R HN 0.616 nan 8.270 nan 0.000 0.452 387 F N -0.571 119.375 119.950 -0.007 0.000 2.695 387 F HA 0.182 4.515 4.527 -0.323 0.000 0.303 387 F C 0.905 176.708 175.800 0.004 0.000 1.091 387 F CA -0.065 57.936 58.000 0.002 0.000 1.300 387 F CB 0.402 39.407 39.000 0.008 0.000 1.071 387 F HN -0.084 nan 8.300 nan 0.000 0.578 388 M N -1.943 117.751 119.600 0.156 0.000 3.200 388 M HA 0.641 4.927 4.480 -0.324 0.000 0.335 388 M C 1.023 177.353 176.300 0.050 0.000 1.446 388 M CA -0.148 55.210 55.300 0.096 0.000 0.691 388 M CB 0.618 33.271 32.600 0.089 0.000 1.409 388 M HN 0.044 nan 8.290 nan 0.000 0.488 389 G N 0.820 109.637 108.800 0.029 0.000 2.485 389 G HA2 -0.335 3.430 3.960 -0.324 0.000 0.255 389 G HA3 -0.335 3.430 3.960 -0.324 0.000 0.255 389 G C 0.236 175.138 174.900 0.003 0.000 0.992 389 G CA 1.139 46.245 45.100 0.010 0.000 0.643 389 G HN 1.021 nan 8.290 nan 0.000 0.565 390 V N -3.380 116.540 119.914 0.009 0.000 3.302 390 V HA 0.769 4.694 4.120 -0.324 0.000 0.316 390 V C 0.591 176.684 176.094 -0.003 0.000 1.111 390 V CA -1.364 60.938 62.300 0.004 0.000 1.029 390 V CB 1.191 33.020 31.823 0.012 0.000 1.170 390 V HN 0.232 nan 8.190 nan 0.000 0.452 391 K N 1.557 121.955 120.400 -0.004 0.000 2.368 391 K HA 0.581 4.707 4.320 -0.324 0.000 0.282 391 K C 0.286 176.881 176.600 -0.008 0.000 1.035 391 K CA 0.245 56.526 56.287 -0.010 0.000 0.973 391 K CB 1.100 33.595 32.500 -0.009 0.000 0.957 391 K HN 1.002 nan 8.250 nan 0.000 0.474 392 A N 3.888 126.696 122.820 -0.020 0.000 2.406 392 A HA 0.250 4.376 4.320 -0.324 0.000 0.243 392 A C -0.129 177.446 177.584 -0.016 0.000 1.082 392 A CA -0.249 51.772 52.037 -0.027 0.000 0.786 392 A CB 0.217 19.187 19.000 -0.050 0.000 1.029 392 A HN 0.666 nan 8.150 nan 0.000 0.495 393 L N 1.053 122.272 121.223 -0.007 0.000 2.334 393 L HA 0.554 4.700 4.340 -0.324 0.000 0.272 393 L C 1.148 178.025 176.870 0.012 0.000 1.020 393 L CA -0.751 54.104 54.840 0.026 0.000 0.812 393 L CB 1.724 43.838 42.059 0.092 0.000 1.264 393 L HN 0.894 nan 8.230 nan 0.000 0.439 394 G N 0.112 108.925 108.800 0.022 0.000 2.616 394 G HA2 0.216 3.982 3.960 -0.324 0.000 0.268 394 G HA3 0.216 3.982 3.960 -0.324 0.000 0.268 394 G C 0.781 175.714 174.900 0.054 0.000 1.213 394 G CA -0.188 44.919 45.100 0.012 0.000 0.926 394 G HN 0.689 nan 8.290 nan 0.000 0.523 395 T N 0.070 114.647 114.554 0.040 0.000 2.684 395 T HA -0.140 4.016 4.350 -0.324 0.000 0.267 395 T C 2.344 177.106 174.700 0.104 0.000 1.036 395 T CA 1.694 63.841 62.100 0.079 0.000 1.148 395 T CB -0.162 68.735 68.868 0.048 0.000 0.863 395 T HN 0.480 nan 8.240 nan 0.000 0.436 396 K N 0.721 121.156 120.400 0.057 0.000 2.001 396 K HA -0.083 4.042 4.320 -0.324 0.000 0.208 396 K C 2.509 179.132 176.600 0.038 0.000 1.048 396 K CA 1.355 57.664 56.287 0.036 0.000 0.932 396 K CB -0.160 32.349 32.500 0.017 0.000 0.715 396 K HN 0.255 nan 8.250 nan 0.000 0.437 397 E N 0.269 120.498 120.200 0.049 0.000 2.085 397 E HA -0.226 3.929 4.350 -0.324 0.000 0.194 397 E C 1.749 178.394 176.600 0.074 0.000 0.994 397 E CA 1.352 57.780 56.400 0.047 0.000 0.801 397 E CB -0.341 29.386 29.700 0.046 0.000 0.743 397 E HN 0.380 nan 8.360 nan 0.000 0.453 398 Y N 0.522 120.815 120.300 -0.012 0.000 2.181 398 Y HA -0.205 4.150 4.550 -0.324 0.000 0.288 398 Y C 2.207 178.102 175.900 -0.009 0.000 1.146 398 Y CA 1.477 59.571 58.100 -0.009 0.000 1.164 398 Y CB -0.208 38.248 38.460 -0.008 0.000 0.982 398 Y HN 0.053 nan 8.280 nan 0.000 0.515 399 A N 0.000 122.743 122.820 -0.128 0.000 1.969 399 A HA -0.170 3.956 4.320 -0.324 0.000 0.218 399 A C 1.835 179.311 177.584 -0.179 0.000 1.169 399 A CA 1.827 53.732 52.037 -0.220 0.000 0.635 399 A CB -0.672 18.283 19.000 -0.076 0.000 0.810 399 A HN 0.556 nan 8.150 nan 0.000 0.445 400 D N -0.655 119.683 120.400 -0.103 0.000 2.144 400 D HA -0.115 4.330 4.640 -0.324 0.000 0.200 400 D C 1.927 178.172 176.300 -0.092 0.000 0.978 400 D CA 1.518 55.472 54.000 -0.076 0.000 0.833 400 D CB -0.151 40.627 40.800 -0.037 0.000 0.961 400 D HN 0.564 nan 8.370 nan 0.000 0.470 401 E N 0.876 121.009 120.200 -0.111 0.000 2.077 401 E HA -0.097 4.058 4.350 -0.324 0.000 0.193 401 E C 2.266 178.781 176.600 -0.142 0.000 0.989 401 E CA 0.696 57.036 56.400 -0.099 0.000 0.800 401 E CB -0.400 29.262 29.700 -0.064 0.000 0.746 401 E HN 0.223 nan 8.360 nan 0.000 0.452 402 L N 0.098 121.169 121.223 -0.253 0.000 2.042 402 L HA -0.177 3.969 4.340 -0.324 0.000 0.210 402 L C 2.567 179.356 176.870 -0.136 0.000 1.076 402 L CA 1.228 55.931 54.840 -0.229 0.000 0.749 402 L CB -0.450 41.412 42.059 -0.328 0.000 0.893 402 L HN 0.232 nan 8.230 nan 0.000 0.432 403 I N 0.316 120.811 120.570 -0.124 0.000 2.286 403 I HA -0.309 3.666 4.170 -0.324 0.000 0.248 403 I C 2.640 178.720 176.117 -0.061 0.000 1.115 403 I CA 1.551 62.803 61.300 -0.080 0.000 1.392 403 I CB -0.213 37.746 38.000 -0.069 0.000 1.065 403 I HN 0.355 nan 8.210 nan 0.000 0.418 404 K N 1.221 121.586 120.400 -0.059 0.000 2.155 404 K HA -0.068 4.058 4.320 -0.324 0.000 0.203 404 K C 1.947 178.523 176.600 -0.041 0.000 1.052 404 K CA 1.252 57.514 56.287 -0.043 0.000 0.948 404 K CB -0.324 32.155 32.500 -0.035 0.000 0.728 404 K HN 0.251 nan 8.250 nan 0.000 0.448 405 I N 1.286 121.826 120.570 -0.050 0.000 2.202 405 I HA -0.217 3.759 4.170 -0.324 0.000 0.242 405 I C 2.588 178.680 176.117 -0.041 0.000 1.091 405 I CA 1.420 62.694 61.300 -0.042 0.000 1.368 405 I CB -0.226 37.745 38.000 -0.048 0.000 1.058 405 I HN 0.204 nan 8.210 nan 0.000 0.410 406 M N -0.122 119.448 119.600 -0.049 0.000 2.358 406 M HA -0.224 4.062 4.480 -0.324 0.000 0.264 406 M C 1.441 177.715 176.300 -0.044 0.000 1.064 406 M CA 1.480 56.752 55.300 -0.047 0.000 1.093 406 M CB -0.466 32.104 32.600 -0.051 0.000 1.401 406 M HN 0.123 nan 8.290 nan 0.000 0.440 407 D N -0.506 119.870 120.400 -0.040 0.000 2.348 407 D HA -0.072 4.373 4.640 -0.324 0.000 0.216 407 D C 1.436 177.718 176.300 -0.030 0.000 0.970 407 D CA 0.989 54.968 54.000 -0.034 0.000 0.889 407 D CB 0.322 41.104 40.800 -0.030 0.000 0.912 407 D HN 0.190 nan 8.370 nan 0.000 0.524 408 T N -0.579 113.957 114.554 -0.029 0.000 3.034 408 T HA 0.195 4.351 4.350 -0.324 0.000 0.248 408 T C 1.114 175.800 174.700 -0.024 0.000 1.040 408 T CA -0.014 62.072 62.100 -0.023 0.000 1.107 408 T CB 0.444 69.301 68.868 -0.019 0.000 0.932 408 T HN 0.187 nan 8.240 nan 0.000 0.474 409 I N 0.000 120.554 120.570 -0.027 0.000 2.984 409 I HA 0.000 3.976 4.170 -0.324 0.000 0.288 409 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 409 I CB 0.000 37.986 38.000 -0.023 0.000 1.214 409 I HN 0.000 nan 8.210 nan 0.000 0.494