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 1l1y_1_B DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.873 174.900 -0.045 0.000 0.946 28 G CA 0.000 45.077 45.100 -0.039 0.000 0.502 29 P HA 0.527 nan 4.420 nan 0.000 0.269 29 P C -0.267 176.932 177.300 -0.168 0.000 1.215 29 P CA 0.122 63.155 63.100 -0.112 0.000 0.780 29 P CB 1.194 32.759 31.700 -0.224 0.000 0.898 30 T N 1.184 115.626 114.554 -0.185 0.000 2.889 30 T HA 0.215 4.565 4.350 -0.000 0.000 0.315 30 T C -1.095 173.428 174.700 -0.295 0.000 1.291 30 T CA -0.928 61.061 62.100 -0.185 0.000 1.028 30 T CB 1.022 69.849 68.868 -0.069 0.000 1.235 30 T HN 0.144 nan 8.240 nan 0.000 0.491 31 K N 1.817 121.978 120.400 -0.398 0.000 2.451 31 K HA 0.423 4.743 4.320 -0.000 0.000 0.280 31 K C 0.336 176.593 176.600 -0.571 0.000 1.020 31 K CA -0.215 55.661 56.287 -0.685 0.000 1.008 31 K CB 0.318 32.442 32.500 -0.626 0.000 0.917 31 K HN 0.732 nan 8.250 nan 0.000 0.478 32 A N 5.612 128.051 122.820 -0.635 0.000 2.511 32 A HA 0.144 4.464 4.320 -0.000 0.000 0.242 32 A C -0.995 176.350 177.584 -0.399 0.000 1.069 32 A CA -0.864 50.733 52.037 -0.734 0.000 0.763 32 A CB -0.053 18.627 19.000 -0.534 0.000 1.001 32 A HN 0.499 nan 8.150 nan 0.000 0.498 33 P HA -0.003 nan 4.420 nan 0.000 0.241 33 P C 0.347 177.605 177.300 -0.069 0.000 1.191 33 P CA 0.438 63.404 63.100 -0.224 0.000 0.771 33 P CB -0.324 31.226 31.700 -0.250 0.000 0.929 34 T N 1.353 115.876 114.554 -0.051 0.000 2.933 34 T HA 0.239 4.589 4.350 -0.000 0.000 0.306 34 T C 0.721 175.512 174.700 0.151 0.000 1.045 34 T CA 0.457 62.583 62.100 0.043 0.000 1.143 34 T CB 0.079 68.930 68.868 -0.028 0.000 1.003 34 T HN 0.244 nan 8.240 nan 0.000 0.540 35 K N 2.311 122.779 120.400 0.114 0.000 2.185 35 K HA 0.277 4.597 4.320 -0.000 0.000 0.271 35 K C 0.058 176.774 176.600 0.194 0.000 1.013 35 K CA -0.852 55.513 56.287 0.129 0.000 0.943 35 K CB 0.188 32.728 32.500 0.067 0.000 0.998 35 K HN 0.707 nan 8.250 nan 0.000 0.468 36 D N 0.851 121.338 120.400 0.145 0.000 2.533 36 D HA 0.331 4.971 4.640 -0.000 0.000 0.236 36 D C 1.343 177.679 176.300 0.060 0.000 1.137 36 D CA 2.211 56.263 54.000 0.087 0.000 0.867 36 D CB 0.628 41.434 40.800 0.009 0.000 1.170 36 D HN 0.958 nan 8.370 nan 0.000 0.474 37 G N 1.736 110.563 108.800 0.044 0.000 2.201 37 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.212 37 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.212 37 G C 0.518 175.413 174.900 -0.007 0.000 0.994 37 G CA 0.036 45.140 45.100 0.006 0.000 0.644 37 G HN 0.579 nan 8.290 nan 0.000 0.508 38 T N 2.558 117.120 114.554 0.013 0.000 2.853 38 T HA 0.464 4.814 4.350 -0.000 0.000 0.298 38 T C 1.058 175.676 174.700 -0.136 0.000 0.978 38 T CA 0.694 62.766 62.100 -0.046 0.000 1.152 38 T CB 1.192 70.022 68.868 -0.062 0.000 0.914 38 T HN 1.297 nan 8.240 nan 0.000 0.539 39 S N 3.444 119.076 115.700 -0.113 0.000 2.568 39 S HA 0.076 4.546 4.470 -0.000 0.000 0.282 39 S C 0.913 175.411 174.600 -0.170 0.000 1.338 39 S CA -0.437 57.691 58.200 -0.120 0.000 1.045 39 S CB 0.207 63.382 63.200 -0.043 0.000 0.873 39 S HN 0.579 nan 8.310 nan 0.000 0.516 40 Y N 1.987 122.288 120.300 0.002 0.000 2.224 40 Y HA -0.080 4.470 4.550 -0.000 0.000 0.289 40 Y C 2.497 178.376 175.900 -0.035 0.000 1.146 40 Y CA 1.747 59.834 58.100 -0.022 0.000 1.182 40 Y CB -0.562 37.898 38.460 -0.000 0.000 0.983 40 Y HN 0.825 nan 8.280 nan 0.000 0.524 41 K N 0.453 120.905 120.400 0.086 0.000 2.000 41 K HA -0.270 4.050 4.320 -0.000 0.000 0.218 41 K C 1.648 178.284 176.600 0.061 0.000 1.053 41 K CA 2.325 58.625 56.287 0.022 0.000 0.946 41 K CB -0.306 32.167 32.500 -0.045 0.000 0.723 41 K HN 0.162 nan 8.250 nan 0.000 0.446 42 D N 0.670 121.072 120.400 0.003 0.000 2.133 42 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 42 D C 2.000 178.268 176.300 -0.052 0.000 0.997 42 D CA 1.114 55.105 54.000 -0.014 0.000 0.840 42 D CB -0.206 40.573 40.800 -0.036 0.000 0.947 42 D HN 0.266 nan 8.370 nan 0.000 0.452 43 L N -0.289 120.859 121.223 -0.124 0.000 2.042 43 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 43 L C 2.376 179.108 176.870 -0.231 0.000 1.076 43 L CA 0.876 55.536 54.840 -0.300 0.000 0.749 43 L CB -0.430 41.353 42.059 -0.459 0.000 0.893 43 L HN 0.030 nan 8.230 nan 0.000 0.432 44 F N 0.679 120.530 119.950 -0.166 0.000 2.102 44 F HA -0.238 4.288 4.527 -0.000 0.000 0.298 44 F C 2.236 178.022 175.800 -0.022 0.000 1.105 44 F CA 1.539 59.479 58.000 -0.101 0.000 1.239 44 F CB -0.183 38.766 39.000 -0.085 0.000 0.991 44 F HN -0.128 nan 8.300 nan 0.000 0.474 45 L N 0.272 121.531 121.223 0.060 0.000 2.083 45 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 45 L C 2.567 179.420 176.870 -0.028 0.000 1.083 45 L CA 1.922 56.779 54.840 0.028 0.000 0.752 45 L CB -0.883 41.245 42.059 0.115 0.000 0.899 45 L HN 0.319 nan 8.230 nan 0.000 0.433 46 E N 0.616 120.788 120.200 -0.048 0.000 2.038 46 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 46 E C 2.377 178.967 176.600 -0.017 0.000 1.000 46 E CA 1.310 57.711 56.400 0.002 0.000 0.803 46 E CB -0.059 29.664 29.700 0.038 0.000 0.750 46 E HN 0.433 nan 8.360 nan 0.000 0.448 47 L N 0.125 121.266 121.223 -0.137 0.000 2.093 47 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 47 L C 2.463 179.230 176.870 -0.172 0.000 1.085 47 L CA 1.279 56.055 54.840 -0.106 0.000 0.755 47 L CB -0.374 41.577 42.059 -0.180 0.000 0.904 47 L HN 0.332 nan 8.230 nan 0.000 0.435 48 Y N 0.535 120.546 120.300 -0.482 0.000 2.081 48 Y HA -0.282 4.268 4.550 -0.000 0.000 0.280 48 Y C 2.284 178.051 175.900 -0.221 0.000 1.163 48 Y CA 2.013 59.838 58.100 -0.458 0.000 1.135 48 Y CB -0.803 37.242 38.460 -0.692 0.000 0.970 48 Y HN 0.178 nan 8.280 nan 0.000 0.498 49 G N 0.112 108.907 108.800 -0.009 0.000 2.513 49 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 49 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 49 G C 1.654 176.521 174.900 -0.055 0.000 1.160 49 G CA 1.379 46.468 45.100 -0.018 0.000 0.767 49 G HN 0.443 nan 8.290 nan 0.000 0.571 50 K N -0.190 120.199 120.400 -0.018 0.000 2.211 50 K HA 0.130 4.449 4.320 -0.000 0.000 0.203 50 K C 2.400 179.053 176.600 0.088 0.000 1.050 50 K CA 0.633 56.947 56.287 0.045 0.000 0.945 50 K CB -0.116 32.432 32.500 0.080 0.000 0.732 50 K HN 0.379 nan 8.250 nan 0.000 0.451 51 I N 1.006 121.533 120.570 -0.071 0.000 2.353 51 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 51 I C 1.743 177.965 176.117 0.175 0.000 1.119 51 I CA 0.957 62.182 61.300 -0.125 0.000 1.417 51 I CB -0.058 37.735 38.000 -0.345 0.000 1.078 51 I HN 0.009 nan 8.210 nan 0.000 0.421 52 K N 0.129 120.478 120.400 -0.085 0.000 2.379 52 K HA 0.058 4.378 4.320 -0.000 0.000 0.194 52 K C 0.309 176.858 176.600 -0.084 0.000 1.031 52 K CA 0.185 56.368 56.287 -0.172 0.000 1.037 52 K CB -0.392 31.797 32.500 -0.519 0.000 0.824 52 K HN 0.144 nan 8.250 nan 0.000 0.516 53 D N 3.166 123.563 120.400 -0.004 0.000 2.382 53 D HA -0.006 4.634 4.640 -0.000 0.000 0.259 53 D C -1.438 174.885 176.300 0.039 0.000 1.224 53 D CA -1.694 52.312 54.000 0.009 0.000 0.894 53 D CB 1.311 42.126 40.800 0.024 0.000 1.127 53 D HN -0.050 nan 8.370 nan 0.000 0.487 54 P HA -0.166 nan 4.420 nan 0.000 0.220 54 P C 1.136 178.439 177.300 0.005 0.000 1.148 54 P CA 1.330 64.434 63.100 0.007 0.000 0.803 54 P CB 0.083 31.770 31.700 -0.021 0.000 0.782 55 K N 0.420 120.818 120.400 -0.004 0.000 2.211 55 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 55 K C 1.830 178.402 176.600 -0.046 0.000 1.047 55 K CA 1.620 57.896 56.287 -0.018 0.000 0.935 55 K CB -1.618 30.872 32.500 -0.015 0.000 0.728 55 K HN 0.196 nan 8.250 nan 0.000 0.452 56 N N -0.735 117.938 118.700 -0.046 0.000 2.409 56 N HA 0.033 4.773 4.740 -0.000 0.000 0.179 56 N C 1.388 176.739 175.510 -0.266 0.000 1.032 56 N CA 1.213 54.174 53.050 -0.149 0.000 0.898 56 N CB 0.418 38.860 38.487 -0.075 0.000 0.971 56 N HN 0.678 nan 8.380 nan 0.000 0.441 57 G N -0.020 108.711 108.800 -0.116 0.000 2.136 57 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.242 57 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.242 57 G C 0.520 175.357 174.900 -0.105 0.000 0.989 57 G CA 0.291 45.341 45.100 -0.083 0.000 0.682 57 G HN 0.325 nan 8.290 nan 0.000 0.522 58 Y N -0.689 119.579 120.300 -0.053 0.000 2.293 58 Y HA 0.317 4.867 4.550 -0.000 0.000 0.291 58 Y C 1.515 177.004 175.900 -0.685 0.000 1.137 58 Y CA 1.176 59.100 58.100 -0.292 0.000 1.202 58 Y CB -0.042 38.203 38.460 -0.359 0.000 0.990 58 Y HN 0.328 nan 8.280 nan 0.000 0.537 59 F N -0.772 119.008 119.950 -0.284 0.000 2.492 59 F HA 0.358 4.885 4.527 -0.000 0.000 0.327 59 F C 0.544 175.952 175.800 -0.653 0.000 1.079 59 F CA -1.960 55.673 58.000 -0.611 0.000 0.967 59 F CB 0.784 39.481 39.000 -0.505 0.000 1.169 59 F HN -0.356 nan 8.300 nan 0.000 0.472 60 S N 2.720 117.925 115.700 -0.824 0.000 2.552 60 S HA 0.097 4.566 4.470 -0.000 0.000 0.289 60 S C -1.664 172.803 174.600 -0.222 0.000 1.304 60 S CA -0.889 56.956 58.200 -0.592 0.000 1.063 60 S CB 0.724 63.541 63.200 -0.638 0.000 0.848 60 S HN 0.516 nan 8.310 nan 0.000 0.499 61 P HA -0.086 nan 4.420 nan 0.000 0.216 61 P C 0.551 177.817 177.300 -0.057 0.000 1.153 61 P CA 1.186 64.256 63.100 -0.050 0.000 0.848 61 P CB -0.017 31.680 31.700 -0.006 0.000 0.787 62 D N -0.203 120.154 120.400 -0.073 0.000 2.183 62 D HA -0.092 4.548 4.640 -0.000 0.000 0.203 62 D C 1.380 177.646 176.300 -0.057 0.000 0.969 62 D CA 1.150 55.116 54.000 -0.056 0.000 0.842 62 D CB -0.028 40.736 40.800 -0.061 0.000 0.957 62 D HN 0.339 nan 8.370 nan 0.000 0.484 63 E N -1.554 118.561 120.200 -0.141 0.000 2.500 63 E HA 0.311 4.661 4.350 -0.000 0.000 0.217 63 E C 1.113 177.681 176.600 -0.054 0.000 0.848 63 E CA 0.464 56.798 56.400 -0.110 0.000 1.217 63 E CB 0.960 30.351 29.700 -0.514 0.000 1.217 63 E HN 0.067 nan 8.360 nan 0.000 0.573 64 G N 1.558 110.280 108.800 -0.131 0.000 2.160 64 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 64 G C -0.010 174.830 174.900 -0.100 0.000 1.022 64 G CA 0.079 45.107 45.100 -0.119 0.000 0.741 64 G HN 0.223 nan 8.290 nan 0.000 0.508 65 I N 1.742 122.149 120.570 -0.272 0.000 2.395 65 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 65 I C -1.765 173.918 176.117 -0.723 0.000 1.023 65 I CA -2.414 58.640 61.300 -0.411 0.000 1.350 65 I CB 1.349 39.094 38.000 -0.425 0.000 1.409 65 I HN -0.105 nan 8.210 nan 0.000 0.507 66 P HA 0.091 nan 4.420 nan 0.000 0.276 66 P C -1.049 175.695 177.300 -0.927 0.000 1.243 66 P CA -0.041 62.244 63.100 -1.359 0.000 0.768 66 P CB 0.157 30.729 31.700 -1.880 0.000 0.856 67 Y N 1.273 121.178 120.300 -0.659 0.000 2.357 67 Y HA 0.025 4.575 4.550 -0.000 0.000 0.340 67 Y C 2.393 178.157 175.900 -0.226 0.000 1.260 67 Y CA 0.291 58.148 58.100 -0.406 0.000 1.425 67 Y CB -0.101 38.083 38.460 -0.460 0.000 1.326 67 Y HN 0.524 nan 8.280 nan 0.000 0.580 68 H N 0.498 119.593 119.070 0.040 0.000 2.319 68 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 68 H C -0.098 175.272 175.328 0.069 0.000 1.097 68 H CA 1.445 57.538 56.048 0.074 0.000 1.285 68 H CB 0.211 30.003 29.762 0.049 0.000 1.368 68 H HN 0.494 nan 8.280 nan 0.000 0.495 69 S N -2.200 113.499 115.700 -0.002 0.000 2.550 69 S HA 0.261 4.731 4.470 -0.000 0.000 0.270 69 S C 0.950 175.578 174.600 0.047 0.000 1.145 69 S CA -0.372 57.802 58.200 -0.043 0.000 0.852 69 S CB 0.670 63.761 63.200 -0.181 0.000 1.119 69 S HN 0.187 nan 8.310 nan 0.000 0.465 70 I N 0.670 121.254 120.570 0.022 0.000 2.113 70 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 70 I C 0.760 176.859 176.117 -0.029 0.000 1.064 70 I CA 1.516 62.787 61.300 -0.047 0.000 1.320 70 I CB -0.472 37.357 38.000 -0.284 0.000 1.028 70 I HN 0.669 nan 8.210 nan 0.000 0.406 71 E N 0.702 120.892 120.200 -0.017 0.000 2.398 71 E HA -0.002 4.348 4.350 -0.000 0.000 0.263 71 E C 1.182 177.639 176.600 -0.238 0.000 1.046 71 E CA 0.496 56.864 56.400 -0.052 0.000 0.908 71 E CB 0.503 30.289 29.700 0.142 0.000 0.963 71 E HN 0.280 nan 8.360 nan 0.000 0.431 72 T N -0.225 114.130 114.554 -0.331 0.000 3.010 72 T HA 0.033 4.383 4.350 -0.000 0.000 0.252 72 T C 0.746 175.326 174.700 -0.199 0.000 1.047 72 T CA -0.282 61.459 62.100 -0.597 0.000 1.140 72 T CB 0.177 68.680 68.868 -0.608 0.000 0.885 72 T HN 0.202 nan 8.240 nan 0.000 0.464 73 L N 2.472 123.777 121.223 0.137 0.000 2.342 73 L HA 0.682 5.022 4.340 -0.000 0.000 0.285 73 L C -0.735 176.301 176.870 0.277 0.000 1.095 73 L CA -1.322 53.698 54.840 0.300 0.000 0.843 73 L CB -0.612 41.587 42.059 0.234 0.000 1.201 73 L HN 0.469 nan 8.230 nan 0.000 0.445 74 I N 4.947 125.635 120.570 0.195 0.000 2.739 74 I HA 0.331 4.501 4.170 -0.000 0.000 0.287 74 I C -1.739 174.380 176.117 0.003 0.000 1.558 74 I CA -0.405 60.973 61.300 0.129 0.000 1.050 74 I CB 2.060 39.955 38.000 -0.175 0.000 1.432 74 I HN 0.224 nan 8.210 nan 0.000 0.432 75 V N 7.709 127.578 119.914 -0.074 0.000 2.482 75 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 75 V C 0.005 175.993 176.094 -0.178 0.000 1.026 75 V CA -0.140 61.949 62.300 -0.351 0.000 0.856 75 V CB 1.321 32.468 31.823 -1.127 0.000 1.001 75 V HN 0.927 nan 8.190 nan 0.000 0.424 76 E N 4.558 124.659 120.200 -0.164 0.000 3.550 76 E HA 0.360 4.710 4.350 -0.000 0.000 0.239 76 E C 1.228 177.812 176.600 -0.027 0.000 1.244 76 E CA 0.434 56.794 56.400 -0.067 0.000 1.475 76 E CB 0.645 30.345 29.700 -0.000 0.000 2.582 76 E HN 0.466 nan 8.360 nan 0.000 0.716 77 A N 1.295 124.135 122.820 0.033 0.000 1.963 77 A HA 0.339 4.659 4.320 -0.000 0.000 0.207 77 A C -1.715 176.076 177.584 0.345 0.000 1.243 77 A CA 0.203 52.380 52.037 0.232 0.000 0.728 77 A CB -0.859 18.281 19.000 0.233 0.000 0.895 77 A HN 0.296 nan 8.150 nan 0.000 0.467 78 P HA 0.242 nan 4.420 nan 0.000 0.278 78 P C -1.345 175.935 177.300 -0.032 0.000 1.238 78 P CA 0.130 63.244 63.100 0.023 0.000 0.794 78 P CB 1.128 32.707 31.700 -0.200 0.000 0.955 79 D N 0.365 120.797 120.400 0.054 0.000 2.463 79 D HA 0.124 4.764 4.640 -0.000 0.000 0.224 79 D C -0.549 175.910 176.300 0.264 0.000 1.174 79 D CA -0.405 53.649 54.000 0.090 0.000 0.829 79 D CB -0.577 40.326 40.800 0.172 0.000 0.993 79 D HN 0.298 nan 8.370 nan 0.000 0.497 80 Y N -0.810 119.479 120.300 -0.018 0.000 2.424 80 Y HA 0.458 5.008 4.550 -0.000 0.000 0.323 80 Y C 0.869 176.688 175.900 -0.136 0.000 1.174 80 Y CA -1.007 56.995 58.100 -0.164 0.000 1.060 80 Y CB 1.524 39.706 38.460 -0.464 0.000 1.314 80 Y HN -0.148 nan 8.280 nan 0.000 0.439 81 G N 2.235 110.600 108.800 -0.725 0.000 2.534 81 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 81 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 81 G C 0.615 175.270 174.900 -0.407 0.000 1.128 81 G CA 0.568 45.408 45.100 -0.434 0.000 0.784 81 G HN 0.834 nan 8.290 nan 0.000 0.542 82 H N -0.567 117.782 119.070 -1.200 0.000 2.542 82 H HA 0.238 4.794 4.556 -0.000 0.000 0.283 82 H C 0.983 176.249 175.328 -0.103 0.000 1.059 82 H CA -0.641 54.933 56.048 -0.789 0.000 1.162 82 H CB 0.760 29.894 29.762 -1.046 0.000 1.539 82 H HN 0.255 nan 8.280 nan 0.000 0.543 83 V N -0.514 119.468 119.914 0.112 0.000 3.319 83 V HA 0.222 4.342 4.120 -0.000 0.000 0.303 83 V C 0.570 176.752 176.094 0.146 0.000 1.094 83 V CA -0.273 62.138 62.300 0.184 0.000 1.106 83 V CB 1.773 33.687 31.823 0.152 0.000 1.099 83 V HN 0.057 nan 8.190 nan 0.000 0.476 84 T N 0.999 115.612 114.554 0.099 0.000 2.926 84 T HA 0.790 5.140 4.350 -0.000 0.000 0.289 84 T C -0.330 174.433 174.700 0.105 0.000 1.054 84 T CA 0.246 62.383 62.100 0.062 0.000 1.015 84 T CB 1.575 70.418 68.868 -0.042 0.000 1.167 84 T HN 1.500 nan 8.240 nan 0.000 0.526 85 T N -1.135 113.523 114.554 0.174 0.000 2.900 85 T HA 0.428 4.778 4.350 -0.000 0.000 0.303 85 T C 1.391 176.310 174.700 0.364 0.000 1.142 85 T CA -0.036 62.211 62.100 0.245 0.000 1.007 85 T CB 1.266 70.323 68.868 0.315 0.000 1.156 85 T HN 0.579 nan 8.240 nan 0.000 0.490 86 S N 0.563 116.467 115.700 0.340 0.000 2.387 86 S HA -0.255 4.215 4.470 -0.000 0.000 0.230 86 S C 1.667 176.444 174.600 0.296 0.000 1.035 86 S CA 1.527 59.911 58.200 0.307 0.000 1.014 86 S CB -0.844 62.464 63.200 0.179 0.000 0.836 86 S HN 0.903 nan 8.310 nan 0.000 0.466 87 E N 2.207 122.571 120.200 0.274 0.000 2.048 87 E HA -0.256 4.094 4.350 -0.000 0.000 0.202 87 E C 2.216 179.071 176.600 0.425 0.000 1.021 87 E CA 1.402 57.964 56.400 0.269 0.000 0.825 87 E CB -0.636 29.224 29.700 0.266 0.000 0.756 87 E HN 0.625 nan 8.360 nan 0.000 0.454 88 A N 0.182 123.250 122.820 0.413 0.000 1.908 88 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 88 A C 2.030 179.837 177.584 0.372 0.000 1.181 88 A CA 1.555 53.838 52.037 0.410 0.000 0.627 88 A CB -1.047 18.006 19.000 0.088 0.000 0.818 88 A HN 0.429 nan 8.150 nan 0.000 0.445 89 F N 1.188 121.308 119.950 0.283 0.000 2.126 89 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 89 F C 3.050 179.023 175.800 0.287 0.000 1.096 89 F CA 1.866 60.028 58.000 0.269 0.000 1.255 89 F CB -0.217 38.843 39.000 0.101 0.000 0.997 89 F HN 0.389 nan 8.300 nan 0.000 0.479 90 S N -0.734 115.198 115.700 0.387 0.000 2.368 90 S HA -0.273 4.197 4.470 -0.000 0.000 0.225 90 S C 1.863 176.646 174.600 0.305 0.000 1.030 90 S CA 1.255 59.585 58.200 0.217 0.000 0.999 90 S CB -1.285 61.927 63.200 0.020 0.000 0.844 90 S HN 0.393 nan 8.310 nan 0.000 0.459 91 Y N 0.485 121.046 120.300 0.435 0.000 2.224 91 Y HA -0.062 4.488 4.550 -0.000 0.000 0.289 91 Y C 2.608 178.892 175.900 0.641 0.000 1.146 91 Y CA 1.333 59.746 58.100 0.522 0.000 1.182 91 Y CB -0.768 37.939 38.460 0.412 0.000 0.983 91 Y HN 0.338 nan 8.280 nan 0.000 0.524 92 Y N 0.296 121.053 120.300 0.761 0.000 2.097 92 Y HA -0.255 4.295 4.550 -0.000 0.000 0.282 92 Y C 2.356 178.604 175.900 0.581 0.000 1.152 92 Y CA 1.301 59.833 58.100 0.720 0.000 1.136 92 Y CB -0.941 37.840 38.460 0.535 0.000 0.975 92 Y HN -0.074 nan 8.280 nan 0.000 0.498 93 V N -0.766 119.428 119.914 0.468 0.000 2.282 93 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 93 V C 2.176 178.608 176.094 0.562 0.000 1.057 93 V CA 2.076 64.614 62.300 0.396 0.000 1.032 93 V CB -1.083 30.977 31.823 0.397 0.000 0.645 93 V HN 0.614 nan 8.190 nan 0.000 0.447 94 W N 0.290 121.807 121.300 0.360 0.000 2.381 94 W HA -0.124 4.536 4.660 -0.000 0.000 0.301 94 W C 2.251 179.023 176.519 0.421 0.000 1.205 94 W CA 1.541 59.096 57.345 0.350 0.000 1.285 94 W CB -0.787 28.804 29.460 0.217 0.000 1.133 94 W HN 0.269 nan 8.180 nan 0.000 0.521 95 L N 1.313 122.898 121.223 0.602 0.000 2.042 95 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 95 L C 2.271 179.531 176.870 0.650 0.000 1.076 95 L CA 2.219 57.387 54.840 0.547 0.000 0.749 95 L CB -0.916 41.449 42.059 0.511 0.000 0.893 95 L HN -0.178 nan 8.230 nan 0.000 0.432 96 E N -0.026 120.553 120.200 0.632 0.000 2.150 96 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 96 E C 2.224 179.141 176.600 0.528 0.000 0.985 96 E CA 1.164 57.909 56.400 0.575 0.000 0.814 96 E CB -0.472 29.497 29.700 0.448 0.000 0.752 96 E HN 0.647 nan 8.360 nan 0.000 0.466 97 A N 1.127 124.315 122.820 0.612 0.000 1.902 97 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 97 A C 2.200 180.151 177.584 0.611 0.000 1.181 97 A CA 1.834 54.321 52.037 0.750 0.000 0.623 97 A CB -0.387 19.117 19.000 0.841 0.000 0.818 97 A HN 0.187 nan 8.150 nan 0.000 0.443 98 M N -1.894 117.960 119.600 0.423 0.000 2.132 98 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 98 M C 1.906 178.027 176.300 -0.298 0.000 1.065 98 M CA 1.543 56.819 55.300 -0.040 0.000 1.122 98 M CB -0.861 31.622 32.600 -0.195 0.000 1.365 98 M HN 0.500 nan 8.290 nan 0.000 0.411 99 Y N 0.221 120.466 120.300 -0.091 0.000 2.053 99 Y HA -0.136 4.414 4.550 -0.000 0.000 0.277 99 Y C 2.175 177.784 175.900 -0.485 0.000 1.159 99 Y CA 2.226 60.172 58.100 -0.257 0.000 1.125 99 Y CB -1.098 37.127 38.460 -0.391 0.000 0.969 99 Y HN 0.298 nan 8.280 nan 0.000 0.492 100 G N 0.065 108.485 108.800 -0.634 0.000 2.505 100 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.220 100 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.220 100 G C 1.663 175.772 174.900 -1.318 0.000 1.145 100 G CA 1.171 45.264 45.100 -1.679 0.000 0.761 100 G HN 0.605 nan 8.290 nan 0.000 0.571 101 N N 0.096 118.411 118.700 -0.641 0.000 2.069 101 N HA -0.053 4.687 4.740 -0.000 0.000 0.191 101 N C 2.134 177.289 175.510 -0.592 0.000 1.031 101 N CA 0.923 53.674 53.050 -0.498 0.000 0.852 101 N CB -0.181 37.685 38.487 -1.035 0.000 1.018 101 N HN 0.360 nan 8.380 nan 0.000 0.423 102 L N -0.556 120.266 121.223 -0.668 0.000 2.509 102 L HA 0.063 4.403 4.340 -0.000 0.000 0.222 102 L C 1.454 178.027 176.870 -0.494 0.000 1.123 102 L CA 0.489 54.995 54.840 -0.558 0.000 0.856 102 L CB 0.266 41.983 42.059 -0.570 0.000 0.985 102 L HN 0.194 nan 8.230 nan 0.000 0.456 103 T N -1.745 112.423 114.554 -0.643 0.000 3.028 103 T HA 0.222 4.572 4.350 -0.000 0.000 0.250 103 T C 1.298 175.719 174.700 -0.464 0.000 0.979 103 T CA 0.757 62.487 62.100 -0.615 0.000 1.004 103 T CB 0.968 69.201 68.868 -1.058 0.000 1.120 103 T HN 0.394 nan 8.240 nan 0.000 0.482 104 G N 2.339 110.817 108.800 -0.536 0.000 2.195 104 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 104 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 104 G C 0.048 174.715 174.900 -0.389 0.000 0.984 104 G CA 0.121 45.024 45.100 -0.329 0.000 0.633 104 G HN 0.611 nan 8.290 nan 0.000 0.525 105 N N -0.479 117.897 118.700 -0.541 0.000 2.437 105 N HA 0.403 5.143 4.740 -0.000 0.000 0.259 105 N C 0.499 175.798 175.510 -0.351 0.000 0.983 105 N CA -0.883 51.997 53.050 -0.284 0.000 0.937 105 N CB 0.419 38.863 38.487 -0.072 0.000 1.122 105 N HN 0.306 nan 8.380 nan 0.000 0.499 106 W N 2.117 123.484 121.300 0.111 0.000 3.239 106 W HA 0.117 4.777 4.660 -0.000 0.000 0.348 106 W C 2.079 178.693 176.519 0.159 0.000 1.183 106 W CA -0.444 56.985 57.345 0.140 0.000 1.819 106 W CB 0.472 29.992 29.460 0.100 0.000 1.091 106 W HN 0.589 nan 8.180 nan 0.000 0.629 107 S N -0.441 115.440 115.700 0.301 0.000 2.382 107 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 107 S C 2.156 176.904 174.600 0.247 0.000 1.027 107 S CA 1.380 59.726 58.200 0.243 0.000 0.991 107 S CB -1.168 62.144 63.200 0.186 0.000 0.823 107 S HN 0.322 nan 8.310 nan 0.000 0.469 108 G N 1.792 110.758 108.800 0.276 0.000 2.440 108 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 108 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 108 G C 1.429 176.482 174.900 0.254 0.000 1.154 108 G CA 1.082 46.344 45.100 0.271 0.000 0.767 108 G HN 0.469 nan 8.290 nan 0.000 0.552 109 V N 0.806 120.926 119.914 0.342 0.000 2.255 109 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 109 V C 2.686 178.953 176.094 0.288 0.000 1.051 109 V CA 2.391 64.903 62.300 0.354 0.000 1.018 109 V CB -0.667 31.440 31.823 0.474 0.000 0.641 109 V HN 0.485 nan 8.190 nan 0.000 0.445 110 E N -0.160 120.192 120.200 0.254 0.000 2.058 110 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 110 E C 2.314 179.043 176.600 0.215 0.000 0.997 110 E CA 1.862 58.390 56.400 0.212 0.000 0.801 110 E CB -0.374 29.424 29.700 0.163 0.000 0.746 110 E HN 0.575 nan 8.360 nan 0.000 0.450 111 T N 0.918 115.583 114.554 0.185 0.000 2.652 111 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 111 T C 1.985 176.770 174.700 0.142 0.000 1.039 111 T CA 1.492 63.692 62.100 0.167 0.000 1.153 111 T CB -0.331 68.636 68.868 0.164 0.000 0.863 111 T HN 0.293 nan 8.240 nan 0.000 0.428 112 A N 1.071 123.880 122.820 -0.018 0.000 1.883 112 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 112 A C 2.198 179.815 177.584 0.055 0.000 1.186 112 A CA 1.462 53.297 52.037 -0.337 0.000 0.624 112 A CB -1.098 17.469 19.000 -0.721 0.000 0.822 112 A HN 0.721 nan 8.150 nan 0.000 0.444 113 W N 0.850 122.169 121.300 0.032 0.000 2.374 113 W HA -0.129 4.531 4.660 -0.000 0.000 0.288 113 W C 2.137 178.699 176.519 0.072 0.000 1.218 113 W CA 2.003 59.391 57.345 0.072 0.000 1.245 113 W CB -0.140 29.367 29.460 0.078 0.000 1.126 113 W HN 0.468 nan 8.180 nan 0.000 0.545 114 K N 0.170 120.743 120.400 0.287 0.000 2.057 114 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 114 K C 1.831 178.520 176.600 0.148 0.000 1.050 114 K CA 1.670 58.078 56.287 0.203 0.000 0.935 114 K CB -0.385 32.222 32.500 0.178 0.000 0.715 114 K HN -0.082 nan 8.250 nan 0.000 0.439 115 V N 2.305 122.364 119.914 0.241 0.000 2.332 115 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 115 V C 2.506 178.734 176.094 0.224 0.000 1.055 115 V CA 2.195 64.736 62.300 0.402 0.000 1.038 115 V CB -0.560 31.625 31.823 0.603 0.000 0.651 115 V HN 0.519 nan 8.190 nan 0.000 0.450 116 M N 0.013 119.562 119.600 -0.086 0.000 2.080 116 M HA -0.267 4.213 4.480 -0.000 0.000 0.260 116 M C 2.262 178.240 176.300 -0.537 0.000 1.068 116 M CA 2.497 57.325 55.300 -0.786 0.000 1.109 116 M CB -0.295 31.807 32.600 -0.830 0.000 1.342 116 M HN 0.439 nan 8.290 nan 0.000 0.405 117 E N -0.000 120.008 120.200 -0.319 0.000 2.072 117 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 117 E C 1.433 177.925 176.600 -0.180 0.000 0.985 117 E CA 1.666 57.957 56.400 -0.183 0.000 0.801 117 E CB 0.021 29.753 29.700 0.053 0.000 0.750 117 E HN 0.537 nan 8.360 nan 0.000 0.452 118 D N -1.022 119.262 120.400 -0.193 0.000 2.178 118 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 118 D C 1.069 176.988 176.300 -0.635 0.000 0.980 118 D CA 1.035 54.773 54.000 -0.436 0.000 0.842 118 D CB -0.062 40.424 40.800 -0.523 0.000 0.948 118 D HN 0.380 nan 8.370 nan 0.000 0.472 119 W N -0.515 120.714 121.300 -0.118 0.000 3.517 119 W HA 0.360 5.020 4.660 -0.000 0.000 0.234 119 W C 2.074 178.538 176.519 -0.091 0.000 0.972 119 W CA -0.440 56.840 57.345 -0.107 0.000 2.002 119 W CB -0.139 29.314 29.460 -0.011 0.000 1.018 119 W HN -0.267 nan 8.180 nan 0.000 0.712 120 I N 0.360 120.940 120.570 0.017 0.000 3.228 120 I HA 0.138 4.308 4.170 -0.000 0.000 0.279 120 I C 0.327 176.461 176.117 0.029 0.000 1.221 120 I CA 0.364 61.730 61.300 0.111 0.000 1.458 120 I CB 0.320 38.248 38.000 -0.119 0.000 1.105 120 I HN -0.284 nan 8.210 nan 0.000 0.445 121 I N 3.612 124.067 120.570 -0.192 0.000 2.379 121 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 121 I C -2.154 173.830 176.117 -0.220 0.000 1.063 121 I CA -1.844 59.278 61.300 -0.297 0.000 1.351 121 I CB 0.247 37.946 38.000 -0.502 0.000 1.410 121 I HN -0.095 nan 8.210 nan 0.000 0.505 122 P HA 0.026 nan 4.420 nan 0.000 0.268 122 P C -1.027 176.123 177.300 -0.250 0.000 1.204 122 P CA -0.200 62.638 63.100 -0.436 0.000 0.768 122 P CB 0.384 31.454 31.700 -1.050 0.000 0.842 123 D N 0.191 120.493 120.400 -0.164 0.000 2.478 123 D HA 0.091 4.731 4.640 -0.000 0.000 0.269 123 D C 1.184 177.403 176.300 -0.134 0.000 1.232 123 D CA -0.532 53.395 54.000 -0.122 0.000 1.059 123 D CB -0.300 40.441 40.800 -0.099 0.000 1.104 123 D HN 0.225 nan 8.370 nan 0.000 0.566 124 S N -1.074 114.571 115.700 -0.092 0.000 2.359 124 S HA -0.253 4.217 4.470 -0.000 0.000 0.224 124 S C 1.851 176.377 174.600 -0.123 0.000 1.035 124 S CA 1.677 59.826 58.200 -0.086 0.000 1.018 124 S CB -1.548 61.626 63.200 -0.043 0.000 0.876 124 S HN 0.612 nan 8.310 nan 0.000 0.448 125 T N 2.262 116.750 114.554 -0.110 0.000 2.778 125 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 125 T C 1.428 176.023 174.700 -0.174 0.000 1.050 125 T CA 1.797 63.829 62.100 -0.114 0.000 1.137 125 T CB -0.405 68.411 68.868 -0.086 0.000 0.860 125 T HN 0.648 nan 8.240 nan 0.000 0.468 126 E N 0.387 120.461 120.200 -0.210 0.000 2.463 126 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 126 E C 0.584 176.821 176.600 -0.606 0.000 1.041 126 E CA 0.062 56.303 56.400 -0.266 0.000 0.879 126 E CB 0.317 29.953 29.700 -0.106 0.000 0.997 126 E HN 0.498 nan 8.360 nan 0.000 0.478 127 Q N 1.319 120.718 119.800 -0.668 0.000 2.470 127 Q HA 0.180 4.520 4.340 -0.000 0.000 0.389 127 Q C -2.512 173.121 176.000 -0.611 0.000 0.888 127 Q CA -1.655 53.468 55.803 -1.133 0.000 1.106 127 Q CB 1.037 29.482 28.738 -0.489 0.000 1.368 127 Q HN 0.065 nan 8.270 nan 0.000 0.403 128 P HA 0.040 nan 4.420 nan 0.000 0.271 128 P C 0.842 178.271 177.300 0.214 0.000 1.220 128 P CA 0.982 64.040 63.100 -0.071 0.000 0.768 128 P CB 1.178 32.834 31.700 -0.075 0.000 0.848 129 G N 2.942 111.840 108.800 0.162 0.000 2.175 129 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 129 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 129 G C 0.806 175.854 174.900 0.246 0.000 0.982 129 G CA 0.351 45.556 45.100 0.176 0.000 0.641 129 G HN 0.460 nan 8.290 nan 0.000 0.527 130 M N 2.302 122.093 119.600 0.319 0.000 2.267 130 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 130 M C 2.573 179.056 176.300 0.305 0.000 1.063 130 M CA 2.575 58.088 55.300 0.356 0.000 1.090 130 M CB -0.459 32.353 32.600 0.355 0.000 1.392 130 M HN 0.868 nan 8.290 nan 0.000 0.422 131 S N -2.177 113.667 115.700 0.240 0.000 2.522 131 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 131 S C 1.704 176.435 174.600 0.218 0.000 0.986 131 S CA 0.955 59.293 58.200 0.229 0.000 0.929 131 S CB -0.537 62.761 63.200 0.163 0.000 0.769 131 S HN 0.445 nan 8.310 nan 0.000 0.529 132 S N 0.528 116.358 115.700 0.216 0.000 2.603 132 S HA 0.192 4.662 4.470 -0.000 0.000 0.220 132 S C 0.215 174.938 174.600 0.205 0.000 0.967 132 S CA -0.480 57.836 58.200 0.193 0.000 0.920 132 S CB -0.523 62.797 63.200 0.199 0.000 0.773 132 S HN 0.722 nan 8.310 nan 0.000 0.529 133 Y N 3.768 124.129 120.300 0.101 0.000 2.811 133 Y HA 0.072 4.622 4.550 -0.000 0.000 0.334 133 Y C 0.225 176.106 175.900 -0.031 0.000 1.247 133 Y CA -0.239 57.872 58.100 0.018 0.000 1.526 133 Y CB 0.164 38.553 38.460 -0.120 0.000 1.284 133 Y HN -0.001 nan 8.280 nan 0.000 0.586 134 N N 8.024 126.289 118.700 -0.724 0.000 2.564 134 N HA 0.334 5.074 4.740 -0.000 0.000 0.248 134 N C -2.359 172.626 175.510 -0.875 0.000 0.986 134 N CA -2.615 50.101 53.050 -0.556 0.000 0.921 134 N CB 1.631 39.964 38.487 -0.256 0.000 1.136 134 N HN 0.299 nan 8.380 nan 0.000 0.509 135 P HA -0.136 nan 4.420 nan 0.000 0.217 135 P C 0.835 177.902 177.300 -0.388 0.000 1.148 135 P CA 1.101 63.912 63.100 -0.483 0.000 0.828 135 P CB 0.260 31.843 31.700 -0.196 0.000 0.783 136 N N -1.262 117.268 118.700 -0.284 0.000 2.494 136 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 136 N C 0.043 175.452 175.510 -0.169 0.000 1.076 136 N CA 0.508 53.437 53.050 -0.201 0.000 0.908 136 N CB 0.115 38.523 38.487 -0.131 0.000 0.967 136 N HN -0.075 nan 8.380 nan 0.000 0.449 137 S N 0.341 115.921 115.700 -0.200 0.000 2.407 137 S HA 0.357 4.827 4.470 -0.000 0.000 0.166 137 S C -2.189 172.359 174.600 -0.086 0.000 1.445 137 S CA -1.161 56.979 58.200 -0.101 0.000 1.260 137 S CB 0.992 64.158 63.200 -0.057 0.000 1.401 137 S HN 0.103 nan 8.310 nan 0.000 0.379 138 P HA 0.173 nan 4.420 nan 0.000 0.218 138 P C 0.325 177.865 177.300 0.401 0.000 1.149 138 P CA 0.842 64.008 63.100 0.109 0.000 0.817 138 P CB 0.276 32.133 31.700 0.261 0.000 0.785 139 A N -2.967 120.063 122.820 0.350 0.000 2.536 139 A HA 0.598 4.918 4.320 -0.000 0.000 0.293 139 A C -1.200 176.478 177.584 0.157 0.000 1.119 139 A CA -0.418 51.830 52.037 0.350 0.000 0.654 139 A CB 0.390 19.699 19.000 0.515 0.000 1.291 139 A HN -0.192 nan 8.150 nan 0.000 0.439 140 T N 0.957 115.501 114.554 -0.017 0.000 2.771 140 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 140 T C -0.611 173.872 174.700 -0.362 0.000 0.982 140 T CA 0.070 62.003 62.100 -0.278 0.000 0.978 140 T CB 0.555 69.044 68.868 -0.632 0.000 0.930 140 T HN 0.547 nan 8.240 nan 0.000 0.447 141 Y N 2.905 122.839 120.300 -0.609 0.000 2.712 141 Y HA 0.358 4.908 4.550 -0.000 0.000 0.333 141 Y C 0.027 175.611 175.900 -0.528 0.000 1.225 141 Y CA -0.145 57.404 58.100 -0.918 0.000 1.499 141 Y CB 0.119 38.193 38.460 -0.644 0.000 1.288 141 Y HN 0.762 nan 8.280 nan 0.000 0.575 142 A N 5.338 127.296 122.820 -1.436 0.000 2.486 142 A HA 0.419 4.739 4.320 -0.000 0.000 0.300 142 A C -1.209 175.746 177.584 -1.048 0.000 1.048 142 A CA -1.032 50.486 52.037 -0.865 0.000 0.696 142 A CB 0.901 19.717 19.000 -0.307 0.000 1.278 142 A HN 0.692 nan 8.150 nan 0.000 0.405 143 D N 1.428 121.465 120.400 -0.606 0.000 2.400 143 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 143 D C 0.199 176.143 176.300 -0.592 0.000 1.157 143 D CA 0.681 54.356 54.000 -0.541 0.000 0.889 143 D CB 0.689 41.054 40.800 -0.724 0.000 1.199 143 D HN 0.544 nan 8.370 nan 0.000 0.436 144 E N 0.265 120.175 120.200 -0.484 0.000 2.227 144 E HA 0.451 4.801 4.350 -0.000 0.000 0.268 144 E C -0.755 175.483 176.600 -0.603 0.000 0.990 144 E CA -0.625 55.590 56.400 -0.308 0.000 0.856 144 E CB 1.318 30.993 29.700 -0.043 0.000 1.159 144 E HN 0.367 nan 8.360 nan 0.000 0.401 145 Y N -0.138 120.152 120.300 -0.016 0.000 2.576 145 Y HA 0.138 4.688 4.550 -0.000 0.000 0.346 145 Y C 0.596 176.469 175.900 -0.046 0.000 1.018 145 Y CA -0.774 57.206 58.100 -0.201 0.000 1.050 145 Y CB 1.688 39.865 38.460 -0.470 0.000 1.280 145 Y HN 0.470 nan 8.280 nan 0.000 0.474 146 E N 0.280 120.481 120.200 0.003 0.000 2.482 146 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 146 E C -0.794 175.899 176.600 0.155 0.000 1.047 146 E CA 0.696 57.113 56.400 0.027 0.000 0.869 146 E CB 0.263 29.940 29.700 -0.039 0.000 0.836 146 E HN 0.454 nan 8.360 nan 0.000 0.520 147 D N -2.439 118.142 120.400 0.302 0.000 2.859 147 D HA 0.171 4.811 4.640 -0.000 0.000 0.223 147 D C -2.301 174.239 176.300 0.400 0.000 1.218 147 D CA -2.026 52.174 54.000 0.333 0.000 0.850 147 D CB 1.690 42.692 40.800 0.337 0.000 1.656 147 D HN -0.342 nan 8.370 nan 0.000 0.484 148 P HA -0.085 nan 4.420 nan 0.000 0.222 148 P C 1.047 178.332 177.300 -0.025 0.000 1.147 148 P CA 0.813 64.071 63.100 0.263 0.000 0.790 148 P CB 0.074 31.873 31.700 0.164 0.000 0.780 149 S N -2.304 113.130 115.700 -0.443 0.000 2.500 149 S HA -0.167 4.303 4.470 -0.000 0.000 0.239 149 S C 1.542 175.721 174.600 -0.700 0.000 0.989 149 S CA 0.779 58.239 58.200 -1.234 0.000 0.951 149 S CB -1.465 61.213 63.200 -0.869 0.000 0.759 149 S HN 0.169 nan 8.310 nan 0.000 0.523 150 Y N 0.158 120.279 120.300 -0.300 0.000 2.511 150 Y HA 0.352 4.902 4.550 -0.000 0.000 0.279 150 Y C 0.320 176.000 175.900 -0.366 0.000 1.157 150 Y CA -0.427 57.420 58.100 -0.421 0.000 1.300 150 Y CB -0.094 37.948 38.460 -0.696 0.000 1.052 150 Y HN 0.254 nan 8.280 nan 0.000 0.529 151 Y N 1.538 121.880 120.300 0.070 0.000 2.376 151 Y HA 0.323 4.873 4.550 -0.000 0.000 0.325 151 Y C -1.995 173.988 175.900 0.140 0.000 1.199 151 Y CA -3.346 54.853 58.100 0.165 0.000 1.206 151 Y CB 0.348 38.949 38.460 0.236 0.000 1.229 151 Y HN -0.163 nan 8.280 nan 0.000 0.480 152 P HA 0.011 nan 4.420 nan 0.000 0.275 152 P C -0.499 176.932 177.300 0.217 0.000 1.227 152 P CA -0.203 63.073 63.100 0.294 0.000 0.781 152 P CB 1.364 33.177 31.700 0.187 0.000 0.906 153 S N 1.516 117.386 115.700 0.283 0.000 2.545 153 S HA 0.099 4.569 4.470 -0.000 0.000 0.275 153 S C -0.034 174.667 174.600 0.168 0.000 1.299 153 S CA -0.535 57.796 58.200 0.219 0.000 1.048 153 S CB 0.005 63.311 63.200 0.177 0.000 0.938 153 S HN 0.453 nan 8.310 nan 0.000 0.496 154 E N 4.275 124.558 120.200 0.138 0.000 2.259 154 E HA 0.249 4.599 4.350 -0.000 0.000 0.281 154 E C -0.497 176.111 176.600 0.014 0.000 1.027 154 E CA -0.466 55.990 56.400 0.094 0.000 0.838 154 E CB 0.550 30.313 29.700 0.105 0.000 1.066 154 E HN 0.628 nan 8.360 nan 0.000 0.401 155 L N 4.605 125.808 121.223 -0.034 0.000 2.456 155 L HA 0.104 4.444 4.340 -0.000 0.000 0.272 155 L C 0.324 177.094 176.870 -0.167 0.000 1.189 155 L CA 0.472 55.184 54.840 -0.213 0.000 0.846 155 L CB 0.277 42.108 42.059 -0.379 0.000 1.111 155 L HN 0.402 nan 8.230 nan 0.000 0.475 156 K N 4.080 124.345 120.400 -0.224 0.000 2.527 156 K HA 0.235 4.555 4.320 -0.000 0.000 0.240 156 K C 0.034 176.554 176.600 -0.133 0.000 0.989 156 K CA -0.324 55.929 56.287 -0.057 0.000 0.985 156 K CB 0.936 33.483 32.500 0.077 0.000 1.221 156 K HN 0.360 nan 8.250 nan 0.000 0.458 157 F N 1.002 120.938 119.950 -0.024 0.000 2.206 157 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 157 F C 1.613 177.391 175.800 -0.036 0.000 1.090 157 F CA 1.301 59.278 58.000 -0.039 0.000 1.323 157 F CB 0.332 39.299 39.000 -0.055 0.000 1.028 157 F HN 0.465 nan 8.300 nan 0.000 0.492 158 D N -1.624 118.864 120.400 0.147 0.000 2.422 158 D HA 0.006 4.646 4.640 -0.000 0.000 0.218 158 D C 2.091 178.401 176.300 0.016 0.000 1.047 158 D CA 1.380 55.422 54.000 0.070 0.000 0.885 158 D CB -0.067 40.769 40.800 0.060 0.000 1.035 158 D HN 0.268 nan 8.370 nan 0.000 0.502 159 T N -1.310 113.247 114.554 0.005 0.000 3.067 159 T HA 0.132 4.482 4.350 -0.000 0.000 0.257 159 T C 0.880 175.528 174.700 -0.086 0.000 1.105 159 T CA 0.071 62.153 62.100 -0.030 0.000 1.104 159 T CB 0.322 69.181 68.868 -0.015 0.000 0.925 159 T HN -0.203 nan 8.240 nan 0.000 0.498 160 V N 1.777 121.625 119.914 -0.110 0.000 2.349 160 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 160 V C 0.022 176.026 176.094 -0.149 0.000 1.014 160 V CA -1.274 60.901 62.300 -0.208 0.000 0.826 160 V CB 1.276 32.859 31.823 -0.400 0.000 1.009 160 V HN 0.259 nan 8.190 nan 0.000 0.431 161 R N 2.561 122.982 120.500 -0.132 0.000 2.543 161 R HA 0.606 4.946 4.340 -0.000 0.000 0.277 161 R C -0.725 175.519 176.300 -0.094 0.000 1.074 161 R CA -0.084 55.963 56.100 -0.089 0.000 1.076 161 R CB 1.352 31.608 30.300 -0.073 0.000 0.993 161 R HN 0.551 nan 8.270 nan 0.000 0.459 162 V N 2.391 122.285 119.914 -0.033 0.000 2.919 162 V HA 0.523 4.643 4.120 -0.000 0.000 0.316 162 V C 0.657 176.785 176.094 0.057 0.000 1.077 162 V CA -0.439 61.886 62.300 0.041 0.000 0.977 162 V CB 2.043 33.933 31.823 0.112 0.000 1.039 162 V HN 0.998 nan 8.190 nan 0.000 0.441 163 G N 1.548 110.430 108.800 0.137 0.000 2.588 163 G HA2 0.457 4.417 3.960 -0.000 0.000 0.281 163 G HA3 0.457 4.417 3.960 -0.000 0.000 0.281 163 G C -0.252 174.628 174.900 -0.034 0.000 1.236 163 G CA -0.295 44.861 45.100 0.094 0.000 0.969 163 G HN 0.657 nan 8.290 nan 0.000 0.504 164 S N -0.477 115.125 115.700 -0.162 0.000 2.578 164 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 164 S C -0.487 173.630 174.600 -0.805 0.000 1.195 164 S CA -0.409 57.559 58.200 -0.387 0.000 1.050 164 S CB 1.583 64.639 63.200 -0.241 0.000 1.012 164 S HN 0.603 nan 8.310 nan 0.000 0.511 165 D N 2.615 122.429 120.400 -0.978 0.000 2.380 165 D HA 0.248 4.887 4.640 -0.000 0.000 0.230 165 D C -1.559 174.387 176.300 -0.590 0.000 1.154 165 D CA -2.022 51.300 54.000 -1.129 0.000 0.859 165 D CB 1.167 41.512 40.800 -0.760 0.000 1.045 165 D HN 0.165 nan 8.370 nan 0.000 0.495 166 P HA -0.004 nan 4.420 nan 0.000 0.255 166 P C 0.943 178.052 177.300 -0.318 0.000 1.248 166 P CA 0.005 62.843 63.100 -0.436 0.000 0.807 166 P CB 0.926 32.254 31.700 -0.620 0.000 1.150 167 V N -1.295 118.415 119.914 -0.341 0.000 3.379 167 V HA 0.003 4.123 4.120 -0.000 0.000 0.249 167 V C 2.415 178.471 176.094 -0.063 0.000 1.184 167 V CA 0.805 63.021 62.300 -0.141 0.000 1.106 167 V CB -0.690 31.064 31.823 -0.116 0.000 0.826 167 V HN 0.027 nan 8.190 nan 0.000 0.465 168 H N 1.027 120.025 119.070 -0.120 0.000 2.319 168 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 168 H C 2.231 177.557 175.328 -0.002 0.000 1.092 168 H CA 2.602 58.633 56.048 -0.028 0.000 1.302 168 H CB -0.163 29.664 29.762 0.108 0.000 1.373 168 H HN 0.525 nan 8.280 nan 0.000 0.497 169 N N -0.304 118.428 118.700 0.054 0.000 2.061 169 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 169 N C 1.597 177.064 175.510 -0.072 0.000 1.030 169 N CA 1.669 54.721 53.050 0.003 0.000 0.856 169 N CB -0.264 38.240 38.487 0.028 0.000 1.023 169 N HN 0.437 nan 8.380 nan 0.000 0.424 170 D N 0.301 120.662 120.400 -0.066 0.000 2.144 170 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 170 D C 2.213 178.422 176.300 -0.151 0.000 0.984 170 D CA 0.802 54.755 54.000 -0.078 0.000 0.834 170 D CB -0.035 40.751 40.800 -0.022 0.000 0.955 170 D HN 0.325 nan 8.370 nan 0.000 0.465 171 L N -0.735 120.374 121.223 -0.190 0.000 2.131 171 L HA -0.050 4.290 4.340 -0.000 0.000 0.206 171 L C 2.537 179.305 176.870 -0.169 0.000 1.087 171 L CA 0.253 54.951 54.840 -0.237 0.000 0.767 171 L CB -0.248 41.562 42.059 -0.415 0.000 0.917 171 L HN -0.023 nan 8.230 nan 0.000 0.441 172 V N 0.116 119.903 119.914 -0.211 0.000 2.287 172 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 172 V C 2.681 178.719 176.094 -0.094 0.000 1.053 172 V CA 2.208 64.431 62.300 -0.129 0.000 1.027 172 V CB -0.619 31.117 31.823 -0.144 0.000 0.646 172 V HN 0.648 nan 8.190 nan 0.000 0.447 173 S N 0.456 116.083 115.700 -0.121 0.000 2.474 173 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 173 S C 1.839 176.323 174.600 -0.192 0.000 0.997 173 S CA 1.191 59.320 58.200 -0.118 0.000 0.949 173 S CB -0.243 62.900 63.200 -0.096 0.000 0.766 173 S HN 0.575 nan 8.310 nan 0.000 0.517 174 A N -0.007 122.609 122.820 -0.340 0.000 1.956 174 A HA 0.398 4.718 4.320 -0.000 0.000 0.212 174 A C 1.442 178.660 177.584 -0.610 0.000 1.188 174 A CA 0.380 52.052 52.037 -0.609 0.000 0.675 174 A CB -0.249 18.131 19.000 -1.032 0.000 0.845 174 A HN 0.589 nan 8.150 nan 0.000 0.455 175 Y N -1.339 118.954 120.300 -0.012 0.000 2.432 175 Y HA 0.450 5.000 4.550 -0.000 0.000 0.252 175 Y C 1.371 177.308 175.900 0.062 0.000 1.097 175 Y CA -0.218 57.916 58.100 0.058 0.000 1.250 175 Y CB 0.185 38.783 38.460 0.229 0.000 1.245 175 Y HN 0.519 nan 8.280 nan 0.000 0.522 176 G N 1.421 110.306 108.800 0.142 0.000 2.627 176 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 176 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 176 G C -2.080 172.896 174.900 0.127 0.000 1.331 176 G CA -0.338 44.825 45.100 0.105 0.000 0.891 176 G HN -0.018 nan 8.290 nan 0.000 0.539 177 P HA 0.081 nan 4.420 nan 0.000 0.231 177 P C 0.308 177.705 177.300 0.160 0.000 1.168 177 P CA 0.628 63.817 63.100 0.149 0.000 0.779 177 P CB 0.039 31.830 31.700 0.152 0.000 0.844 178 N N 0.397 119.166 118.700 0.116 0.000 2.495 178 N HA 0.265 5.005 4.740 -0.000 0.000 0.280 178 N C -0.091 175.360 175.510 -0.099 0.000 1.168 178 N CA -0.536 52.542 53.050 0.048 0.000 0.978 178 N CB 0.613 39.104 38.487 0.005 0.000 1.191 178 N HN -0.074 nan 8.380 nan 0.000 0.497 179 M N 1.552 121.005 119.600 -0.244 0.000 2.146 179 M HA 0.124 4.604 4.480 -0.000 0.000 0.357 179 M C -1.047 174.777 176.300 -0.792 0.000 1.261 179 M CA -0.238 54.652 55.300 -0.684 0.000 1.106 179 M CB 0.184 32.168 32.600 -1.027 0.000 1.612 179 M HN 0.451 nan 8.290 nan 0.000 0.470 180 Y N 6.418 125.735 120.300 -1.639 0.000 2.921 180 Y HA 0.595 5.145 4.550 -0.000 0.000 0.346 180 Y C -1.650 173.901 175.900 -0.582 0.000 1.182 180 Y CA -0.327 57.178 58.100 -0.991 0.000 1.319 180 Y CB 0.092 37.970 38.460 -0.970 0.000 1.403 180 Y HN 0.616 nan 8.280 nan 0.000 0.554 181 L N 2.837 123.732 121.223 -0.547 0.000 2.327 181 L HA 0.547 4.887 4.340 -0.000 0.000 0.258 181 L C -0.610 176.133 176.870 -0.212 0.000 1.024 181 L CA -1.308 53.354 54.840 -0.296 0.000 0.825 181 L CB 2.432 44.369 42.059 -0.204 0.000 1.386 181 L HN 0.220 nan 8.230 nan 0.000 0.417 182 M N 0.867 120.397 119.600 -0.117 0.000 2.120 182 M HA 0.248 4.728 4.480 -0.000 0.000 0.354 182 M C -0.395 175.970 176.300 0.108 0.000 1.287 182 M CA -0.532 54.723 55.300 -0.075 0.000 1.103 182 M CB 0.765 33.310 32.600 -0.092 0.000 1.623 182 M HN 0.418 nan 8.290 nan 0.000 0.471 183 H N 3.948 123.000 119.070 -0.030 0.000 2.897 183 H HA -0.077 4.479 4.556 -0.000 0.000 0.347 183 H C 0.588 176.031 175.328 0.192 0.000 1.068 183 H CA 0.575 56.641 56.048 0.030 0.000 1.426 183 H CB 0.643 30.228 29.762 -0.294 0.000 1.410 183 H HN 0.754 nan 8.280 nan 0.000 0.597 184 W N 5.184 126.127 121.300 -0.596 0.000 2.576 184 W HA 0.105 4.765 4.660 -0.000 0.000 0.270 184 W C -1.091 175.364 176.519 -0.108 0.000 1.255 184 W CA -0.165 57.035 57.345 -0.241 0.000 1.314 184 W CB 0.010 29.381 29.460 -0.149 0.000 1.101 184 W HN 0.384 nan 8.180 nan 0.000 0.595 185 L N 1.865 122.509 121.223 -0.965 0.000 2.406 185 L HA 0.542 4.882 4.340 -0.000 0.000 0.272 185 L C -0.976 175.818 176.870 -0.127 0.000 0.980 185 L CA -0.876 53.457 54.840 -0.845 0.000 0.831 185 L CB 1.947 42.942 42.059 -1.775 0.000 1.253 185 L HN -0.004 nan 8.230 nan 0.000 0.406 186 M N 3.580 123.183 119.600 0.005 0.000 2.327 186 M HA 0.368 4.848 4.480 -0.000 0.000 0.298 186 M C -1.433 174.925 176.300 0.096 0.000 1.065 186 M CA -0.630 54.739 55.300 0.116 0.000 0.916 186 M CB 1.874 34.569 32.600 0.158 0.000 1.630 186 M HN 0.612 nan 8.290 nan 0.000 0.442 187 D N 4.068 124.542 120.400 0.123 0.000 2.483 187 D HA 0.173 4.812 4.640 -0.000 0.000 0.220 187 D C 0.906 177.286 176.300 0.132 0.000 1.173 187 D CA -0.064 54.055 54.000 0.198 0.000 0.964 187 D CB 0.672 41.637 40.800 0.275 0.000 1.046 187 D HN 0.448 nan 8.370 nan 0.000 0.517 188 V N 2.846 122.837 119.914 0.127 0.000 2.324 188 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 188 V C 1.207 177.316 176.094 0.025 0.000 1.060 188 V CA 1.710 64.027 62.300 0.029 0.000 1.042 188 V CB -0.097 31.771 31.823 0.074 0.000 0.650 188 V HN 0.523 nan 8.190 nan 0.000 0.450 189 D N -1.165 119.314 120.400 0.132 0.000 2.501 189 D HA 0.147 4.787 4.640 -0.000 0.000 0.224 189 D C 0.561 176.924 176.300 0.105 0.000 1.202 189 D CA -0.004 54.061 54.000 0.108 0.000 0.829 189 D CB 0.019 40.912 40.800 0.155 0.000 1.023 189 D HN 0.402 nan 8.370 nan 0.000 0.499 190 N N -0.089 118.678 118.700 0.112 0.000 2.747 190 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 190 N C 0.551 176.076 175.510 0.025 0.000 1.107 190 N CA 0.382 53.479 53.050 0.079 0.000 0.707 190 N CB -1.637 36.873 38.487 0.039 0.000 1.054 190 N HN 0.404 nan 8.380 nan 0.000 0.555 191 W N 0.124 121.323 121.300 -0.168 0.000 2.321 191 W HA -0.151 4.509 4.660 -0.000 0.000 0.306 191 W C 1.558 177.747 176.519 -0.550 0.000 1.217 191 W CA 1.873 58.965 57.345 -0.423 0.000 1.257 191 W CB -0.661 28.346 29.460 -0.755 0.000 1.145 191 W HN 0.416 nan 8.180 nan 0.000 0.509 192 Y N 0.003 120.088 120.300 -0.358 0.000 2.439 192 Y HA 0.086 4.636 4.550 -0.000 0.000 0.292 192 Y C 2.411 177.792 175.900 -0.865 0.000 1.130 192 Y CA 1.742 59.441 58.100 -0.669 0.000 1.254 192 Y CB -0.728 37.509 38.460 -0.371 0.000 1.000 192 Y HN 0.135 nan 8.280 nan 0.000 0.554 193 G N -1.513 107.026 108.800 -0.434 0.000 2.132 193 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.234 193 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.234 193 G C 0.668 175.309 174.900 -0.431 0.000 0.989 193 G CA 0.297 45.137 45.100 -0.434 0.000 0.676 193 G HN 0.352 nan 8.290 nan 0.000 0.522 194 F N 1.227 121.131 119.950 -0.077 0.000 2.558 194 F HA 0.311 4.838 4.527 -0.000 0.000 0.298 194 F C 2.236 178.169 175.800 0.221 0.000 1.119 194 F CA 0.843 58.892 58.000 0.082 0.000 1.451 194 F CB -0.225 38.830 39.000 0.092 0.000 1.091 194 F HN 0.378 nan 8.300 nan 0.000 0.563 195 G N -0.904 108.053 108.800 0.263 0.000 2.543 195 G HA2 0.377 4.337 3.960 -0.000 0.000 0.267 195 G HA3 0.377 4.337 3.960 -0.000 0.000 0.267 195 G C -0.654 174.341 174.900 0.159 0.000 1.406 195 G CA -0.339 44.881 45.100 0.201 0.000 1.048 195 G HN -0.048 nan 8.290 nan 0.000 0.548 196 T N -0.383 114.241 114.554 0.117 0.000 2.795 196 T HA 0.521 4.871 4.350 -0.000 0.000 0.282 196 T C 1.097 175.833 174.700 0.060 0.000 0.980 196 T CA 1.021 63.174 62.100 0.089 0.000 1.012 196 T CB 0.825 69.742 68.868 0.081 0.000 0.936 196 T HN 1.529 nan 8.240 nan 0.000 0.457 197 G N 3.718 112.543 108.800 0.042 0.000 2.646 197 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.324 197 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.324 197 G C 0.873 175.785 174.900 0.020 0.000 1.195 197 G CA 0.985 46.100 45.100 0.026 0.000 0.976 197 G HN 0.720 nan 8.290 nan 0.000 0.546 198 T N 1.616 116.186 114.554 0.027 0.000 3.145 198 T HA 0.344 4.694 4.350 -0.000 0.000 0.281 198 T C 0.871 175.583 174.700 0.020 0.000 1.003 198 T CA -0.006 62.108 62.100 0.024 0.000 0.901 198 T CB 0.057 68.938 68.868 0.022 0.000 1.112 198 T HN 0.492 nan 8.240 nan 0.000 0.535 199 R N 1.786 122.306 120.500 0.033 0.000 2.491 199 R HA 0.571 4.911 4.340 -0.000 0.000 0.283 199 R C 0.497 176.802 176.300 0.009 0.000 1.072 199 R CA -0.288 55.833 56.100 0.035 0.000 1.048 199 R CB 0.497 30.845 30.300 0.081 0.000 0.983 199 R HN 0.272 nan 8.270 nan 0.000 0.450 200 A N 2.798 125.576 122.820 -0.070 0.000 2.573 200 A HA 0.036 4.356 4.320 -0.000 0.000 0.250 200 A C -0.219 177.324 177.584 -0.069 0.000 1.049 200 A CA 0.603 52.568 52.037 -0.121 0.000 0.767 200 A CB 0.014 18.826 19.000 -0.314 0.000 0.965 200 A HN 0.633 nan 8.150 nan 0.000 0.514 201 T N 3.187 117.705 114.554 -0.059 0.000 2.881 201 T HA 0.470 4.820 4.350 -0.000 0.000 0.290 201 T C -0.409 174.275 174.700 -0.027 0.000 1.000 201 T CA -0.179 61.901 62.100 -0.034 0.000 0.978 201 T CB 0.615 69.548 68.868 0.108 0.000 0.997 201 T HN 0.373 nan 8.240 nan 0.000 0.443 202 F N 4.054 124.048 119.950 0.074 0.000 2.506 202 F HA 0.416 4.942 4.527 -0.000 0.000 0.371 202 F C 0.888 176.639 175.800 -0.081 0.000 1.078 202 F CA -0.619 57.386 58.000 0.009 0.000 1.195 202 F CB 0.248 39.224 39.000 -0.039 0.000 1.099 202 F HN 0.435 nan 8.300 nan 0.000 0.548 203 I N 0.490 121.130 120.570 0.116 0.000 3.002 203 I HA 0.679 4.849 4.170 -0.000 0.000 0.310 203 I C -1.127 174.894 176.117 -0.160 0.000 1.087 203 I CA -0.997 60.221 61.300 -0.138 0.000 1.017 203 I CB 2.335 40.243 38.000 -0.153 0.000 1.226 203 I HN 0.388 nan 8.210 nan 0.000 0.443 204 N N 0.454 118.867 118.700 -0.478 0.000 2.405 204 N HA 0.655 5.394 4.740 -0.000 0.000 0.285 204 N C -0.282 174.933 175.510 -0.492 0.000 1.262 204 N CA 0.093 52.914 53.050 -0.383 0.000 0.773 204 N CB 2.457 40.763 38.487 -0.302 0.000 1.490 204 N HN 0.936 nan 8.380 nan 0.000 0.486 205 T N -2.221 112.287 114.554 -0.075 0.000 3.429 205 T HA 0.363 4.713 4.350 -0.000 0.000 0.212 205 T C 0.291 174.955 174.700 -0.060 0.000 0.980 205 T CA -0.078 61.956 62.100 -0.109 0.000 1.201 205 T CB -0.694 67.974 68.868 -0.333 0.000 1.289 205 T HN 0.207 nan 8.240 nan 0.000 0.346 206 F N 3.188 123.243 119.950 0.175 0.000 2.590 206 F HA 0.364 4.891 4.527 -0.000 0.000 0.389 206 F C 1.666 177.444 175.800 -0.037 0.000 1.049 206 F CA 0.068 58.112 58.000 0.074 0.000 1.199 206 F CB 0.292 39.372 39.000 0.134 0.000 1.058 206 F HN 0.283 nan 8.300 nan 0.000 0.556 207 Q N 2.090 121.870 119.800 -0.033 0.000 1.982 207 Q HA 0.147 4.487 4.340 -0.000 0.000 0.208 207 Q C 0.184 175.978 176.000 -0.343 0.000 0.751 207 Q CA 0.108 55.731 55.803 -0.299 0.000 0.914 207 Q CB 0.780 28.913 28.738 -1.008 0.000 1.207 207 Q HN 0.663 nan 8.270 nan 0.000 0.433 208 R N 0.543 120.852 120.500 -0.318 0.000 2.835 208 R HA 0.467 4.807 4.340 -0.000 0.000 0.290 208 R C 0.265 176.365 176.300 -0.333 0.000 1.410 208 R CA 0.305 55.891 56.100 -0.856 0.000 1.590 208 R CB 1.085 31.053 30.300 -0.554 0.000 1.288 208 R HN 0.234 nan 8.270 nan 0.000 0.637 209 G N 1.584 110.356 108.800 -0.047 0.000 2.752 209 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.234 209 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.234 209 G C 0.746 175.757 174.900 0.184 0.000 1.367 209 G CA 0.200 45.417 45.100 0.195 0.000 0.879 209 G HN 0.599 nan 8.290 nan 0.000 0.563 210 E N -1.008 119.263 120.200 0.119 0.000 2.204 210 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 210 E C 1.736 178.419 176.600 0.138 0.000 0.989 210 E CA 1.364 57.814 56.400 0.083 0.000 0.824 210 E CB -0.032 29.627 29.700 -0.069 0.000 0.756 210 E HN 0.410 nan 8.360 nan 0.000 0.477 211 Q N 0.841 120.724 119.800 0.138 0.000 2.320 211 Q HA 0.091 4.431 4.340 -0.000 0.000 0.201 211 Q C -0.203 175.884 176.000 0.145 0.000 0.910 211 Q CA 0.185 56.065 55.803 0.127 0.000 0.946 211 Q CB 0.599 29.410 28.738 0.122 0.000 1.062 211 Q HN 0.404 nan 8.270 nan 0.000 0.503 212 E N 2.080 122.379 120.200 0.164 0.000 1.893 212 E HA 0.116 4.466 4.350 -0.000 0.000 0.269 212 E C -0.330 176.375 176.600 0.174 0.000 1.129 212 E CA -0.227 56.280 56.400 0.177 0.000 0.904 212 E CB 0.446 30.256 29.700 0.184 0.000 1.077 212 E HN 0.111 nan 8.360 nan 0.000 0.407 213 S N 2.417 118.221 115.700 0.174 0.000 2.634 213 S HA 0.068 4.538 4.470 -0.000 0.000 0.261 213 S C 1.327 176.075 174.600 0.248 0.000 1.271 213 S CA -0.211 58.101 58.200 0.187 0.000 0.985 213 S CB 1.296 64.641 63.200 0.242 0.000 0.968 213 S HN 0.478 nan 8.310 nan 0.000 0.568 214 T N 0.074 114.739 114.554 0.185 0.000 2.699 214 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 214 T C 1.091 175.691 174.700 -0.167 0.000 1.036 214 T CA 1.862 63.909 62.100 -0.088 0.000 1.147 214 T CB -0.663 68.038 68.868 -0.278 0.000 0.862 214 T HN 0.777 nan 8.240 nan 0.000 0.446 215 W N 1.941 123.244 121.300 0.005 0.000 2.611 215 W HA 0.096 4.756 4.660 -0.000 0.000 0.251 215 W C 1.813 178.441 176.519 0.181 0.000 1.265 215 W CA 0.157 57.483 57.345 -0.032 0.000 1.295 215 W CB -0.276 29.069 29.460 -0.192 0.000 1.129 215 W HN 0.366 nan 8.180 nan 0.000 0.630 216 E N -0.690 119.687 120.200 0.294 0.000 2.603 216 E HA 0.035 4.385 4.350 -0.000 0.000 0.211 216 E C 0.754 177.454 176.600 0.167 0.000 0.995 216 E CA -0.015 56.531 56.400 0.244 0.000 0.990 216 E CB 0.310 30.144 29.700 0.224 0.000 1.036 216 E HN -0.004 nan 8.360 nan 0.000 0.475 217 T N -1.341 113.267 114.554 0.090 0.000 2.874 217 T HA 0.509 4.859 4.350 -0.000 0.000 0.281 217 T C 0.297 175.040 174.700 0.072 0.000 0.994 217 T CA -0.571 61.538 62.100 0.015 0.000 1.015 217 T CB 1.311 70.056 68.868 -0.205 0.000 1.028 217 T HN -0.040 nan 8.240 nan 0.000 0.523 218 I N 2.373 123.015 120.570 0.120 0.000 2.428 218 I HA 0.313 4.483 4.170 -0.000 0.000 0.279 218 I C -2.487 173.735 176.117 0.175 0.000 1.040 218 I CA -2.652 58.740 61.300 0.154 0.000 1.171 218 I CB 1.614 39.723 38.000 0.181 0.000 1.312 218 I HN 0.412 nan 8.210 nan 0.000 0.470 219 P HA 0.080 nan 4.420 nan 0.000 0.266 219 P C -1.031 176.090 177.300 -0.298 0.000 1.195 219 P CA 0.476 63.452 63.100 -0.207 0.000 0.768 219 P CB 0.388 31.689 31.700 -0.666 0.000 0.838 220 H N 0.472 119.056 119.070 -0.810 0.000 3.042 220 H HA 0.457 5.012 4.556 -0.000 0.000 0.346 220 H C -3.286 171.316 175.328 -1.210 0.000 1.294 220 H CA -2.810 52.349 56.048 -1.481 0.000 1.141 220 H CB 0.714 29.797 29.762 -1.131 0.000 1.872 220 H HN 0.117 nan 8.280 nan 0.000 0.541 221 P HA 0.161 nan 4.420 nan 0.000 0.279 221 P C 0.360 177.452 177.300 -0.348 0.000 1.239 221 P CA -0.302 62.395 63.100 -0.670 0.000 0.789 221 P CB 1.456 32.910 31.700 -0.409 0.000 0.933 222 S N 2.083 117.631 115.700 -0.254 0.000 2.382 222 S HA -0.036 4.433 4.470 -0.000 0.000 0.228 222 S C 1.169 175.655 174.600 -0.191 0.000 1.027 222 S CA 0.918 58.957 58.200 -0.268 0.000 0.991 222 S CB -0.529 62.445 63.200 -0.377 0.000 0.823 222 S HN 0.483 nan 8.310 nan 0.000 0.469 223 I N 2.506 123.035 120.570 -0.068 0.000 2.269 223 I HA 0.220 4.390 4.170 -0.000 0.000 0.293 223 I C -0.142 175.994 176.117 0.031 0.000 1.106 223 I CA -0.346 60.958 61.300 0.007 0.000 1.248 223 I CB 0.611 38.650 38.000 0.064 0.000 1.444 223 I HN -0.006 nan 8.210 nan 0.000 0.497 224 E N 6.029 126.255 120.200 0.042 0.000 2.130 224 E HA 0.169 4.519 4.350 -0.000 0.000 0.284 224 E C -0.115 176.447 176.600 -0.063 0.000 1.018 224 E CA 0.172 56.624 56.400 0.087 0.000 0.817 224 E CB 0.679 30.499 29.700 0.200 0.000 1.078 224 E HN 0.500 nan 8.360 nan 0.000 0.396 225 E N 4.068 124.240 120.200 -0.046 0.000 2.758 225 E HA 0.124 4.474 4.350 -0.000 0.000 0.215 225 E C -0.544 176.001 176.600 -0.091 0.000 0.985 225 E CA -0.163 56.120 56.400 -0.195 0.000 1.102 225 E CB 0.151 29.808 29.700 -0.072 0.000 1.042 225 E HN 0.583 nan 8.360 nan 0.000 0.480 226 F N -1.369 118.635 119.950 0.091 0.000 2.935 226 F HA -0.342 4.185 4.527 -0.000 0.000 0.317 226 F C 1.854 177.633 175.800 -0.036 0.000 0.699 226 F CA 1.177 59.207 58.000 0.051 0.000 1.127 226 F CB -2.241 36.779 39.000 0.033 0.000 1.491 226 F HN 0.232 nan 8.300 nan 0.000 0.337 227 K N -0.636 119.783 120.400 0.032 0.000 2.147 227 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 227 K C 0.704 176.977 176.600 -0.544 0.000 1.049 227 K CA 2.033 58.115 56.287 -0.342 0.000 0.936 227 K CB -0.450 31.708 32.500 -0.571 0.000 0.722 227 K HN 0.507 nan 8.250 nan 0.000 0.446 228 Y N -2.689 117.794 120.300 0.305 0.000 2.857 228 Y HA 0.478 5.028 4.550 -0.000 0.000 0.318 228 Y C 1.618 177.610 175.900 0.154 0.000 1.313 228 Y CA -0.888 57.391 58.100 0.298 0.000 1.117 228 Y CB 1.235 40.012 38.460 0.527 0.000 1.344 228 Y HN 0.417 nan 8.280 nan 0.000 0.525 229 G N 0.028 108.891 108.800 0.106 0.000 2.527 229 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.268 229 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.268 229 G C 0.283 174.956 174.900 -0.379 0.000 1.175 229 G CA -0.204 44.521 45.100 -0.625 0.000 0.962 229 G HN 1.255 nan 8.290 nan 0.000 0.560 230 G N -0.766 107.738 108.800 -0.494 0.000 2.736 230 G HA2 0.642 4.602 3.960 -0.000 0.000 0.229 230 G HA3 0.642 4.602 3.960 -0.000 0.000 0.229 230 G C -0.965 173.665 174.900 -0.449 0.000 1.380 230 G CA 0.463 45.149 45.100 -0.690 0.000 1.040 230 G HN 0.595 nan 8.290 nan 0.000 0.568 231 P HA -0.052 nan 4.420 nan 0.000 0.216 231 P C 0.821 177.763 177.300 -0.595 0.000 1.150 231 P CA 0.973 63.827 63.100 -0.410 0.000 0.837 231 P CB 0.207 31.687 31.700 -0.367 0.000 0.786 232 N N -0.813 117.488 118.700 -0.666 0.000 2.380 232 N HA 0.164 4.904 4.740 -0.000 0.000 0.255 232 N C 1.177 176.383 175.510 -0.506 0.000 1.158 232 N CA 0.694 53.127 53.050 -1.027 0.000 0.878 232 N CB 0.278 38.268 38.487 -0.829 0.000 1.138 232 N HN 0.076 nan 8.380 nan 0.000 0.509 233 G N 1.743 110.417 108.800 -0.210 0.000 2.629 233 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.313 233 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.313 233 G C 0.346 175.273 174.900 0.046 0.000 1.217 233 G CA 0.490 45.694 45.100 0.173 0.000 0.994 233 G HN 0.328 nan 8.290 nan 0.000 0.549 234 F N 1.083 121.161 119.950 0.214 0.000 2.678 234 F HA 0.450 4.977 4.527 -0.000 0.000 0.305 234 F C 2.470 178.192 175.800 -0.130 0.000 1.090 234 F CA 0.202 58.232 58.000 0.050 0.000 1.272 234 F CB 0.003 39.044 39.000 0.068 0.000 1.060 234 F HN 0.209 nan 8.300 nan 0.000 0.576 235 L N 0.617 121.956 121.223 0.194 0.000 2.043 235 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 235 L C 1.954 178.823 176.870 -0.002 0.000 1.075 235 L CA 1.778 56.730 54.840 0.186 0.000 0.752 235 L CB -0.528 41.683 42.059 0.253 0.000 0.891 235 L HN 0.209 nan 8.230 nan 0.000 0.432 236 D N -0.584 119.693 120.400 -0.205 0.000 2.340 236 D HA -0.070 4.569 4.640 -0.000 0.000 0.220 236 D C 1.935 178.073 176.300 -0.270 0.000 1.039 236 D CA 0.332 54.222 54.000 -0.183 0.000 0.866 236 D CB -0.250 40.357 40.800 -0.320 0.000 0.913 236 D HN 0.328 nan 8.370 nan 0.000 0.523 237 L N -1.115 119.720 121.223 -0.648 0.000 2.291 237 L HA -0.002 4.338 4.340 -0.000 0.000 0.214 237 L C 1.351 177.867 176.870 -0.590 0.000 1.120 237 L CA 0.775 55.022 54.840 -0.989 0.000 0.799 237 L CB -0.197 40.865 42.059 -1.662 0.000 0.925 237 L HN -0.037 nan 8.230 nan 0.000 0.446 238 F N -1.676 118.279 119.950 0.008 0.000 2.537 238 F HA 0.134 4.661 4.527 -0.000 0.000 0.275 238 F C 1.244 177.172 175.800 0.214 0.000 0.947 238 F CA -0.159 57.894 58.000 0.088 0.000 1.238 238 F CB -0.316 38.684 39.000 -0.001 0.000 1.071 238 F HN -0.157 nan 8.300 nan 0.000 0.749 239 T N -0.741 114.022 114.554 0.349 0.000 2.848 239 T HA 0.388 4.738 4.350 -0.000 0.000 0.285 239 T C -0.884 173.989 174.700 0.288 0.000 0.995 239 T CA -0.846 61.422 62.100 0.280 0.000 0.970 239 T CB 2.289 71.273 68.868 0.193 0.000 0.976 239 T HN 0.055 nan 8.240 nan 0.000 0.441 240 K N 2.666 123.209 120.400 0.238 0.000 2.258 240 K HA 0.376 4.696 4.320 -0.000 0.000 0.284 240 K C -1.175 175.526 176.600 0.168 0.000 1.051 240 K CA -0.427 56.011 56.287 0.252 0.000 0.923 240 K CB 0.693 33.304 32.500 0.185 0.000 1.046 240 K HN 0.757 nan 8.250 nan 0.000 0.474 241 D N 2.687 123.130 120.400 0.071 0.000 2.547 241 D HA 0.269 4.909 4.640 -0.000 0.000 0.231 241 D C 0.686 176.812 176.300 -0.290 0.000 1.099 241 D CA -0.559 53.372 54.000 -0.114 0.000 0.901 241 D CB 1.537 42.205 40.800 -0.220 0.000 1.478 241 D HN 0.497 nan 8.370 nan 0.000 0.471 242 R N 0.175 120.559 120.500 -0.192 0.000 2.082 242 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 242 R C 0.797 176.906 176.300 -0.318 0.000 1.136 242 R CA 1.454 57.415 56.100 -0.232 0.000 0.935 242 R CB -0.256 29.878 30.300 -0.277 0.000 0.842 242 R HN 0.508 nan 8.270 nan 0.000 0.430 243 S N -1.584 113.883 115.700 -0.389 0.000 2.632 243 S HA 0.487 4.957 4.470 -0.000 0.000 0.289 243 S C -1.222 173.111 174.600 -0.446 0.000 1.115 243 S CA -1.003 56.991 58.200 -0.343 0.000 0.889 243 S CB 1.363 64.472 63.200 -0.151 0.000 1.116 243 S HN 0.158 nan 8.310 nan 0.000 0.486 244 Y N 0.284 120.646 120.300 0.104 0.000 2.338 244 Y HA 0.685 5.235 4.550 -0.000 0.000 0.328 244 Y C 0.358 176.483 175.900 0.375 0.000 0.965 244 Y CA -0.709 57.517 58.100 0.211 0.000 1.208 244 Y CB 1.661 40.212 38.460 0.153 0.000 1.132 244 Y HN 1.046 nan 8.280 nan 0.000 0.469 245 A N 3.666 126.796 122.820 0.516 0.000 2.320 245 A HA 0.617 4.937 4.320 -0.000 0.000 0.334 245 A C -0.555 177.265 177.584 0.393 0.000 1.147 245 A CA -1.148 51.172 52.037 0.471 0.000 0.820 245 A CB 0.801 20.077 19.000 0.460 0.000 1.218 245 A HN 0.755 nan 8.150 nan 0.000 0.482 246 K N 1.097 121.501 120.400 0.007 0.000 2.436 246 K HA 0.270 4.590 4.320 -0.000 0.000 0.275 246 K C 0.041 176.652 176.600 0.018 0.000 0.999 246 K CA 0.449 56.568 56.287 -0.280 0.000 0.980 246 K CB 0.229 32.494 32.500 -0.392 0.000 0.919 246 K HN 0.836 nan 8.250 nan 0.000 0.484 247 Q N 2.278 122.084 119.800 0.010 0.000 2.630 247 Q HA 0.438 4.778 4.340 -0.000 0.000 0.295 247 Q C -1.477 174.512 176.000 -0.019 0.000 0.944 247 Q CA -1.200 54.584 55.803 -0.032 0.000 0.766 247 Q CB 1.247 30.049 28.738 0.106 0.000 1.471 247 Q HN 0.714 nan 8.270 nan 0.000 0.416 248 W N 0.454 121.621 121.300 -0.222 0.000 2.781 248 W HA 0.844 5.504 4.660 -0.000 0.000 0.345 248 W C -1.191 175.037 176.519 -0.486 0.000 1.085 248 W CA -0.935 56.171 57.345 -0.398 0.000 1.198 248 W CB 1.744 30.913 29.460 -0.485 0.000 1.423 248 W HN 0.912 nan 8.180 nan 0.000 0.532 249 R N 2.423 122.586 120.500 -0.562 0.000 2.515 249 R HA 0.397 4.737 4.340 -0.000 0.000 0.278 249 R C -2.280 173.479 176.300 -0.901 0.000 1.107 249 R CA -0.388 55.354 56.100 -0.596 0.000 0.945 249 R CB 1.621 31.867 30.300 -0.089 0.000 1.219 249 R HN 0.560 nan 8.270 nan 0.000 0.434 250 Y N 0.699 120.601 120.300 -0.663 0.000 2.562 250 Y HA 0.552 5.102 4.550 -0.000 0.000 0.343 250 Y C -0.107 175.640 175.900 -0.255 0.000 1.025 250 Y CA -0.790 56.906 58.100 -0.674 0.000 1.082 250 Y CB 2.863 40.509 38.460 -1.358 0.000 1.264 250 Y HN 0.420 nan 8.280 nan 0.000 0.478 251 T N 2.859 117.679 114.554 0.442 0.000 2.928 251 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 251 T C -0.765 174.206 174.700 0.452 0.000 1.000 251 T CA -1.123 61.224 62.100 0.412 0.000 0.989 251 T CB 0.785 69.831 68.868 0.297 0.000 1.005 251 T HN 0.688 nan 8.240 nan 0.000 0.442 252 N N 1.379 120.361 118.700 0.471 0.000 2.458 252 N HA 0.634 5.374 4.740 -0.000 0.000 0.271 252 N C -1.048 174.568 175.510 0.177 0.000 1.210 252 N CA -0.943 52.303 53.050 0.327 0.000 0.978 252 N CB 1.363 40.025 38.487 0.292 0.000 1.206 252 N HN 0.629 nan 8.380 nan 0.000 0.536 253 A N 0.856 123.722 122.820 0.076 0.000 2.483 253 A HA 0.424 4.744 4.320 -0.000 0.000 0.308 253 A C -1.795 175.678 177.584 -0.185 0.000 1.291 253 A CA -1.350 50.619 52.037 -0.112 0.000 0.774 253 A CB 1.090 19.987 19.000 -0.171 0.000 1.134 253 A HN 0.675 nan 8.150 nan 0.000 0.471 254 P HA -0.168 nan 4.420 nan 0.000 0.225 254 P C 0.595 177.774 177.300 -0.200 0.000 1.148 254 P CA 1.308 64.355 63.100 -0.088 0.000 0.779 254 P CB 0.149 31.863 31.700 0.024 0.000 0.780 255 D N 0.338 120.444 120.400 -0.491 0.000 2.264 255 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 255 D C 1.738 177.856 176.300 -0.304 0.000 0.966 255 D CA 1.055 54.788 54.000 -0.445 0.000 0.864 255 D CB -0.698 39.683 40.800 -0.698 0.000 0.933 255 D HN 0.133 nan 8.370 nan 0.000 0.499 256 A N 1.145 123.820 122.820 -0.242 0.000 1.840 256 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 256 A C 2.175 179.706 177.584 -0.089 0.000 1.198 256 A CA 1.419 53.379 52.037 -0.128 0.000 0.608 256 A CB -0.622 18.364 19.000 -0.024 0.000 0.839 256 A HN 0.108 nan 8.150 nan 0.000 0.443 257 E N 0.006 120.172 120.200 -0.057 0.000 2.097 257 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 257 E C 2.035 178.626 176.600 -0.014 0.000 1.000 257 E CA 1.452 57.846 56.400 -0.010 0.000 0.804 257 E CB -0.673 29.048 29.700 0.036 0.000 0.740 257 E HN 0.572 nan 8.360 nan 0.000 0.454 258 G N 0.457 109.222 108.800 -0.057 0.000 2.446 258 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.217 258 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.217 258 G C 1.566 176.392 174.900 -0.124 0.000 1.168 258 G CA 0.922 45.975 45.100 -0.077 0.000 0.771 258 G HN 0.167 nan 8.290 nan 0.000 0.551 259 R N 0.554 120.934 120.500 -0.199 0.000 2.081 259 R HA 0.020 4.360 4.340 -0.000 0.000 0.235 259 R C 2.916 179.082 176.300 -0.222 0.000 1.131 259 R CA 1.447 57.345 56.100 -0.337 0.000 0.960 259 R CB -0.453 29.567 30.300 -0.467 0.000 0.856 259 R HN 0.276 nan 8.270 nan 0.000 0.436 260 A N 1.309 124.091 122.820 -0.064 0.000 1.884 260 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 260 A C 2.170 179.898 177.584 0.240 0.000 1.197 260 A CA 1.896 54.007 52.037 0.123 0.000 0.637 260 A CB -0.657 18.398 19.000 0.091 0.000 0.827 260 A HN 0.390 nan 8.150 nan 0.000 0.450 261 I N -0.700 119.962 120.570 0.155 0.000 2.252 261 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 261 I C 2.790 178.901 176.117 -0.009 0.000 1.102 261 I CA 1.708 63.069 61.300 0.102 0.000 1.385 261 I CB -0.426 37.562 38.000 -0.021 0.000 1.064 261 I HN 0.578 nan 8.210 nan 0.000 0.414 262 Q N 1.465 121.237 119.800 -0.047 0.000 2.077 262 Q HA -0.298 4.042 4.340 -0.000 0.000 0.206 262 Q C 2.321 178.392 176.000 0.119 0.000 0.989 262 Q CA 2.413 58.237 55.803 0.035 0.000 0.853 262 Q CB -0.199 28.498 28.738 -0.068 0.000 0.907 262 Q HN 0.543 nan 8.270 nan 0.000 0.418 263 A N 0.031 122.852 122.820 0.002 0.000 1.908 263 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 263 A C 2.202 179.992 177.584 0.345 0.000 1.181 263 A CA 1.719 53.879 52.037 0.204 0.000 0.627 263 A CB -0.713 18.435 19.000 0.247 0.000 0.818 263 A HN 0.337 nan 8.150 nan 0.000 0.445 264 V N -1.408 118.667 119.914 0.269 0.000 2.667 264 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 264 V C 2.269 178.488 176.094 0.209 0.000 1.065 264 V CA 1.760 64.211 62.300 0.252 0.000 1.083 264 V CB -1.116 30.833 31.823 0.209 0.000 0.692 264 V HN 0.722 nan 8.190 nan 0.000 0.468 265 Y N 0.081 120.320 120.300 -0.102 0.000 2.128 265 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 265 Y C 2.132 177.811 175.900 -0.368 0.000 1.154 265 Y CA 1.866 59.728 58.100 -0.397 0.000 1.149 265 Y CB -0.368 37.652 38.460 -0.734 0.000 0.976 265 Y HN 0.292 nan 8.280 nan 0.000 0.505 266 W N -0.083 121.136 121.300 -0.136 0.000 2.418 266 W HA -0.054 4.606 4.660 -0.000 0.000 0.292 266 W C 2.721 178.989 176.519 -0.418 0.000 1.213 266 W CA 1.365 58.325 57.345 -0.641 0.000 1.283 266 W CB -0.807 28.180 29.460 -0.790 0.000 1.119 266 W HN 0.147 nan 8.180 nan 0.000 0.542 267 A N 0.665 123.625 122.820 0.235 0.000 1.873 267 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 267 A C 1.944 179.388 177.584 -0.233 0.000 1.193 267 A CA 2.177 54.371 52.037 0.261 0.000 0.629 267 A CB -1.365 17.817 19.000 0.303 0.000 0.826 267 A HN 0.484 nan 8.150 nan 0.000 0.447 268 N N -0.562 118.000 118.700 -0.230 0.000 2.043 268 N HA -0.225 4.515 4.740 -0.000 0.000 0.193 268 N C 1.995 177.297 175.510 -0.347 0.000 1.037 268 N CA 1.855 54.713 53.050 -0.320 0.000 0.851 268 N CB -0.222 38.136 38.487 -0.216 0.000 1.027 268 N HN 0.587 nan 8.380 nan 0.000 0.422 269 K N -0.049 120.074 120.400 -0.463 0.000 2.026 269 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 269 K C 2.019 178.566 176.600 -0.089 0.000 1.048 269 K CA 1.255 57.297 56.287 -0.408 0.000 0.929 269 K CB -0.194 31.896 32.500 -0.684 0.000 0.713 269 K HN 0.300 nan 8.250 nan 0.000 0.439 270 W N 0.553 121.881 121.300 0.046 0.000 2.381 270 W HA -0.030 4.629 4.660 -0.000 0.000 0.301 270 W C 2.379 178.939 176.519 0.069 0.000 1.205 270 W CA 0.829 58.272 57.345 0.164 0.000 1.285 270 W CB -1.110 28.593 29.460 0.405 0.000 1.133 270 W HN 0.254 nan 8.180 nan 0.000 0.521 271 A N 0.867 123.598 122.820 -0.149 0.000 1.865 271 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 271 A C 2.059 179.546 177.584 -0.162 0.000 1.191 271 A CA 2.351 54.094 52.037 -0.490 0.000 0.623 271 A CB -0.957 17.378 19.000 -1.108 0.000 0.826 271 A HN 0.264 nan 8.150 nan 0.000 0.444 272 K N -0.463 119.840 120.400 -0.162 0.000 2.160 272 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 272 K C 1.860 178.455 176.600 -0.008 0.000 1.047 272 K CA 1.735 57.965 56.287 -0.094 0.000 0.930 272 K CB -0.181 32.249 32.500 -0.117 0.000 0.720 272 K HN 0.647 nan 8.250 nan 0.000 0.450 273 E N 0.293 120.530 120.200 0.062 0.000 2.347 273 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 273 E C 1.672 178.326 176.600 0.090 0.000 1.008 273 E CA 0.663 57.120 56.400 0.096 0.000 0.852 273 E CB 0.202 30.006 29.700 0.174 0.000 0.783 273 E HN 0.330 nan 8.360 nan 0.000 0.505 274 Q N -0.939 118.928 119.800 0.112 0.000 2.402 274 Q HA 0.084 4.424 4.340 -0.000 0.000 0.206 274 Q C 0.841 176.883 176.000 0.070 0.000 0.919 274 Q CA 0.477 56.349 55.803 0.114 0.000 0.923 274 Q CB 0.994 29.862 28.738 0.216 0.000 1.048 274 Q HN 0.334 nan 8.270 nan 0.000 0.515 275 G N 1.550 110.373 108.800 0.038 0.000 2.140 275 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.211 275 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.211 275 G C 0.144 175.045 174.900 0.001 0.000 1.013 275 G CA 0.066 45.172 45.100 0.012 0.000 0.705 275 G HN 0.242 nan 8.290 nan 0.000 0.508 276 K N -0.107 120.281 120.400 -0.019 0.000 2.792 276 K HA 0.368 4.688 4.320 -0.000 0.000 0.207 276 K C 2.041 178.532 176.600 -0.181 0.000 1.103 276 K CA 0.070 56.328 56.287 -0.047 0.000 1.048 276 K CB 0.637 33.175 32.500 0.062 0.000 0.777 276 K HN 0.264 nan 8.250 nan 0.000 0.468 277 G N 1.497 110.194 108.800 -0.172 0.000 2.469 277 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 277 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 277 G C 1.534 176.305 174.900 -0.216 0.000 1.150 277 G CA 1.535 46.501 45.100 -0.224 0.000 0.763 277 G HN 0.417 nan 8.290 nan 0.000 0.561 278 S N 1.216 116.827 115.700 -0.148 0.000 2.419 278 S HA 0.073 4.543 4.470 -0.000 0.000 0.235 278 S C 2.529 177.060 174.600 -0.115 0.000 1.019 278 S CA 1.393 59.522 58.200 -0.119 0.000 0.982 278 S CB -0.418 62.736 63.200 -0.075 0.000 0.789 278 S HN 0.654 nan 8.310 nan 0.000 0.490 279 A N 1.480 124.223 122.820 -0.128 0.000 1.978 279 A HA 0.049 4.369 4.320 -0.000 0.000 0.220 279 A C 2.209 179.745 177.584 -0.081 0.000 1.170 279 A CA 1.725 53.720 52.037 -0.069 0.000 0.636 279 A CB -0.724 18.254 19.000 -0.037 0.000 0.810 279 A HN 1.207 nan 8.150 nan 0.000 0.448 280 V N -4.837 114.960 119.914 -0.195 0.000 3.380 280 V HA 0.597 4.717 4.120 -0.000 0.000 0.307 280 V C 1.837 177.804 176.094 -0.212 0.000 1.434 280 V CA 0.426 62.621 62.300 -0.173 0.000 1.075 280 V CB -0.651 31.035 31.823 -0.228 0.000 0.954 280 V HN 0.411 nan 8.190 nan 0.000 0.444 281 A N 2.292 124.987 122.820 -0.209 0.000 1.948 281 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 281 A C 2.532 179.972 177.584 -0.240 0.000 1.177 281 A CA 2.722 54.618 52.037 -0.235 0.000 0.636 281 A CB -0.814 18.073 19.000 -0.189 0.000 0.815 281 A HN 1.031 nan 8.150 nan 0.000 0.449 282 S N -0.630 114.957 115.700 -0.188 0.000 2.387 282 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 282 S C 1.755 176.188 174.600 -0.279 0.000 1.026 282 S CA 1.344 59.432 58.200 -0.186 0.000 0.972 282 S CB -0.830 62.303 63.200 -0.112 0.000 0.814 282 S HN 0.267 nan 8.310 nan 0.000 0.477 283 V N 1.850 121.575 119.914 -0.315 0.000 2.358 283 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 283 V C 2.706 178.419 176.094 -0.635 0.000 1.047 283 V CA 1.564 63.537 62.300 -0.544 0.000 1.035 283 V CB -0.883 30.727 31.823 -0.355 0.000 0.658 283 V HN 0.454 nan 8.190 nan 0.000 0.452 284 V N 0.064 119.687 119.914 -0.485 0.000 2.324 284 V HA -0.304 3.815 4.120 -0.000 0.000 0.250 284 V C 2.719 178.464 176.094 -0.583 0.000 1.060 284 V CA 2.552 64.488 62.300 -0.607 0.000 1.042 284 V CB -0.799 30.601 31.823 -0.704 0.000 0.650 284 V HN 0.660 nan 8.190 nan 0.000 0.450 285 S N -0.635 114.797 115.700 -0.447 0.000 2.383 285 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 285 S C 2.018 176.443 174.600 -0.290 0.000 1.026 285 S CA 1.762 59.764 58.200 -0.330 0.000 0.981 285 S CB -0.183 62.867 63.200 -0.251 0.000 0.818 285 S HN 0.675 nan 8.310 nan 0.000 0.472 286 K N 0.959 121.139 120.400 -0.367 0.000 2.062 286 K HA 0.132 4.452 4.320 -0.000 0.000 0.205 286 K C 2.508 179.038 176.600 -0.117 0.000 1.051 286 K CA 1.054 57.166 56.287 -0.293 0.000 0.941 286 K CB -0.421 31.916 32.500 -0.272 0.000 0.719 286 K HN 0.415 nan 8.250 nan 0.000 0.440 287 A N 1.869 124.476 122.820 -0.356 0.000 1.908 287 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 287 A C 2.442 180.091 177.584 0.108 0.000 1.181 287 A CA 1.946 53.960 52.037 -0.038 0.000 0.627 287 A CB -0.872 18.070 19.000 -0.097 0.000 0.818 287 A HN 0.326 nan 8.150 nan 0.000 0.445 288 A N -0.071 122.760 122.820 0.019 0.000 1.917 288 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 288 A C 2.160 179.775 177.584 0.051 0.000 1.182 288 A CA 2.297 54.361 52.037 0.046 0.000 0.633 288 A CB -0.500 18.453 19.000 -0.078 0.000 0.819 288 A HN 0.617 nan 8.150 nan 0.000 0.448 289 K N -1.035 119.358 120.400 -0.011 0.000 2.062 289 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 289 K C 2.151 178.833 176.600 0.137 0.000 1.051 289 K CA 1.439 57.660 56.287 -0.110 0.000 0.941 289 K CB -0.260 31.989 32.500 -0.417 0.000 0.719 289 K HN 0.493 nan 8.250 nan 0.000 0.440 290 M N 0.488 120.273 119.600 0.308 0.000 2.080 290 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 290 M C 1.966 178.456 176.300 0.316 0.000 1.068 290 M CA 2.235 57.800 55.300 0.440 0.000 1.109 290 M CB -0.543 32.352 32.600 0.491 0.000 1.342 290 M HN 0.346 nan 8.290 nan 0.000 0.405 291 G N -0.078 108.839 108.800 0.195 0.000 2.476 291 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 291 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 291 G C 1.165 176.294 174.900 0.382 0.000 1.164 291 G CA 1.404 46.561 45.100 0.096 0.000 0.768 291 G HN 0.487 nan 8.290 nan 0.000 0.560 292 D N 0.274 120.860 120.400 0.310 0.000 2.116 292 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 292 D C 2.224 178.642 176.300 0.196 0.000 0.998 292 D CA 0.644 54.833 54.000 0.314 0.000 0.836 292 D CB -0.367 40.533 40.800 0.165 0.000 0.951 292 D HN 0.315 nan 8.370 nan 0.000 0.449 293 F N -0.089 119.956 119.950 0.158 0.000 2.333 293 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 293 F C 2.101 177.975 175.800 0.123 0.000 1.083 293 F CA 0.072 58.121 58.000 0.082 0.000 1.395 293 F CB -0.022 38.970 39.000 -0.014 0.000 1.056 293 F HN 0.031 nan 8.300 nan 0.000 0.529 294 L N 0.088 121.551 121.223 0.399 0.000 2.456 294 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 294 L C 2.032 179.051 176.870 0.248 0.000 1.148 294 L CA 1.252 56.320 54.840 0.379 0.000 0.825 294 L CB -0.949 41.446 42.059 0.561 0.000 0.937 294 L HN 0.030 nan 8.230 nan 0.000 0.450 295 R N -0.870 119.723 120.500 0.156 0.000 2.193 295 R HA -0.088 4.252 4.340 -0.000 0.000 0.229 295 R C 1.774 178.174 176.300 0.167 0.000 1.110 295 R CA 0.763 56.851 56.100 -0.019 0.000 0.988 295 R CB -0.255 30.043 30.300 -0.003 0.000 0.871 295 R HN 0.453 nan 8.270 nan 0.000 0.458 296 N N 0.902 119.712 118.700 0.183 0.000 2.364 296 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 296 N C 0.524 176.155 175.510 0.202 0.000 1.022 296 N CA 1.058 54.233 53.050 0.210 0.000 0.883 296 N CB -0.024 38.535 38.487 0.121 0.000 0.965 296 N HN 0.319 nan 8.380 nan 0.000 0.438 297 D N 0.330 120.807 120.400 0.129 0.000 2.349 297 D HA 0.039 4.679 4.640 -0.000 0.000 0.224 297 D C 1.161 177.456 176.300 -0.008 0.000 1.029 297 D CA 0.279 54.326 54.000 0.080 0.000 0.879 297 D CB 0.194 41.057 40.800 0.104 0.000 0.906 297 D HN 0.345 nan 8.370 nan 0.000 0.528 298 M N -0.254 119.236 119.600 -0.183 0.000 2.495 298 M HA 0.113 4.593 4.480 -0.000 0.000 0.237 298 M C -0.304 175.145 176.300 -1.418 0.000 1.131 298 M CA 0.358 55.254 55.300 -0.673 0.000 1.032 298 M CB 0.335 32.440 32.600 -0.824 0.000 1.513 298 M HN -0.182 nan 8.290 nan 0.000 0.488 299 F N -0.242 119.295 119.950 -0.688 0.000 2.508 299 F HA 0.292 4.819 4.527 -0.000 0.000 0.325 299 F C 0.378 175.865 175.800 -0.523 0.000 1.090 299 F CA -1.734 55.865 58.000 -0.668 0.000 0.945 299 F CB 0.810 39.530 39.000 -0.467 0.000 1.156 299 F HN -0.112 nan 8.300 nan 0.000 0.463 300 D N 2.008 122.285 120.400 -0.205 0.000 2.548 300 D HA -0.053 4.587 4.640 -0.000 0.000 0.231 300 D C 1.326 177.457 176.300 -0.282 0.000 1.142 300 D CA 0.459 54.417 54.000 -0.070 0.000 0.866 300 D CB 0.883 41.733 40.800 0.083 0.000 1.190 300 D HN 0.618 nan 8.370 nan 0.000 0.469 301 K N 1.934 122.201 120.400 -0.221 0.000 2.059 301 K HA -0.248 4.072 4.320 -0.000 0.000 0.212 301 K C 0.382 176.653 176.600 -0.548 0.000 1.050 301 K CA 1.502 57.542 56.287 -0.411 0.000 0.927 301 K CB -0.112 32.132 32.500 -0.427 0.000 0.714 301 K HN 0.614 nan 8.250 nan 0.000 0.447 302 Y N -0.897 119.436 120.300 0.055 0.000 2.720 302 Y HA 0.244 4.794 4.550 -0.000 0.000 0.268 302 Y C -0.778 175.236 175.900 0.190 0.000 1.142 302 Y CA -0.690 57.501 58.100 0.150 0.000 1.193 302 Y CB -0.018 38.590 38.460 0.247 0.000 1.176 302 Y HN 0.018 nan 8.280 nan 0.000 0.542 303 F N -1.567 118.487 119.950 0.173 0.000 3.091 303 F HA -0.309 4.218 4.527 -0.000 0.000 0.288 303 F C 0.235 176.076 175.800 0.067 0.000 0.907 303 F CA 0.107 58.167 58.000 0.101 0.000 1.028 303 F CB -1.525 37.493 39.000 0.031 0.000 1.022 303 F HN 0.018 nan 8.300 nan 0.000 0.665 304 M N 0.259 119.950 119.600 0.151 0.000 2.255 304 M HA 0.218 4.698 4.480 -0.000 0.000 0.336 304 M C 0.819 177.178 176.300 0.099 0.000 1.135 304 M CA -0.365 54.955 55.300 0.034 0.000 1.145 304 M CB 0.759 33.227 32.600 -0.220 0.000 1.473 304 M HN 0.045 nan 8.290 nan 0.000 0.462 305 K N 1.738 122.177 120.400 0.065 0.000 2.484 305 K HA 0.129 4.449 4.320 -0.000 0.000 0.280 305 K C -0.248 176.424 176.600 0.119 0.000 1.013 305 K CA -0.162 56.175 56.287 0.084 0.000 1.029 305 K CB 0.234 32.766 32.500 0.054 0.000 0.902 305 K HN 0.426 nan 8.250 nan 0.000 0.481 306 I N 2.396 123.041 120.570 0.125 0.000 2.741 306 I HA -0.086 4.084 4.170 -0.000 0.000 0.288 306 I C 1.544 177.749 176.117 0.147 0.000 1.192 306 I CA 1.097 62.491 61.300 0.156 0.000 1.426 306 I CB -0.490 37.595 38.000 0.141 0.000 1.367 306 I HN 1.044 nan 8.210 nan 0.000 0.563 307 G N 4.916 113.826 108.800 0.182 0.000 2.157 307 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 307 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 307 G C 1.034 175.953 174.900 0.032 0.000 0.979 307 G CA 0.503 45.686 45.100 0.139 0.000 0.650 307 G HN 0.854 nan 8.290 nan 0.000 0.529 308 A N -0.283 122.567 122.820 0.050 0.000 2.014 308 A HA 0.299 4.619 4.320 -0.000 0.000 0.218 308 A C 1.719 179.262 177.584 -0.067 0.000 1.163 308 A CA 2.026 54.063 52.037 -0.000 0.000 0.652 308 A CB -0.352 18.659 19.000 0.018 0.000 0.808 308 A HN 1.369 nan 8.150 nan 0.000 0.449 309 Q N -0.963 118.769 119.800 -0.113 0.000 2.437 309 Q HA -0.228 4.112 4.340 -0.000 0.000 0.274 309 Q C -0.713 175.259 176.000 -0.046 0.000 1.165 309 Q CA 1.115 56.784 55.803 -0.224 0.000 0.925 309 Q CB -1.361 27.079 28.738 -0.496 0.000 1.327 309 Q HN 0.736 nan 8.270 nan 0.000 0.505 310 D N -1.220 119.205 120.400 0.041 0.000 2.710 310 D HA 0.158 4.798 4.640 -0.000 0.000 0.276 310 D C -1.052 175.213 176.300 -0.058 0.000 1.267 310 D CA -0.742 53.265 54.000 0.013 0.000 0.772 310 D CB 1.017 41.793 40.800 -0.040 0.000 1.299 310 D HN -0.036 nan 8.370 nan 0.000 0.421 311 K N 0.914 121.219 120.400 -0.159 0.000 2.480 311 K HA 0.264 4.584 4.320 -0.000 0.000 0.241 311 K C -0.436 176.005 176.600 -0.266 0.000 1.261 311 K CA 0.137 56.202 56.287 -0.370 0.000 1.193 311 K CB -0.087 32.159 32.500 -0.424 0.000 1.598 311 K HN 0.108 nan 8.250 nan 0.000 0.278 312 T N 4.196 118.629 114.554 -0.200 0.000 2.781 312 T HA 0.189 4.538 4.350 -0.000 0.000 0.305 312 T C -2.287 172.355 174.700 -0.096 0.000 1.001 312 T CA -1.778 60.252 62.100 -0.117 0.000 0.950 312 T CB 0.880 69.709 68.868 -0.064 0.000 0.955 312 T HN 0.230 nan 8.240 nan 0.000 0.471 313 P HA 0.293 nan 4.420 nan 0.000 0.268 313 P C -0.665 176.639 177.300 0.007 0.000 1.204 313 P CA -0.344 62.738 63.100 -0.029 0.000 0.768 313 P CB 0.597 32.277 31.700 -0.033 0.000 0.842 314 A N 2.753 125.605 122.820 0.053 0.000 2.264 314 A HA 0.538 4.858 4.320 -0.000 0.000 0.304 314 A C 1.294 178.896 177.584 0.029 0.000 1.100 314 A CA 0.059 52.131 52.037 0.058 0.000 0.839 314 A CB 0.230 19.294 19.000 0.107 0.000 1.121 314 A HN 0.600 nan 8.150 nan 0.000 0.496 315 T N -2.282 112.285 114.554 0.021 0.000 2.978 315 T HA 0.439 4.788 4.350 -0.000 0.000 0.248 315 T C 0.980 175.669 174.700 -0.018 0.000 1.018 315 T CA 1.056 63.150 62.100 -0.010 0.000 1.026 315 T CB 0.013 68.877 68.868 -0.006 0.000 1.032 315 T HN 1.074 nan 8.240 nan 0.000 0.485 316 G N -0.150 108.668 108.800 0.029 0.000 3.244 316 G HA2 0.395 4.355 3.960 -0.000 0.000 0.197 316 G HA3 0.395 4.355 3.960 -0.000 0.000 0.197 316 G C -0.173 174.749 174.900 0.037 0.000 1.531 316 G CA -0.523 44.605 45.100 0.046 0.000 0.747 316 G HN 0.226 nan 8.290 nan 0.000 0.763 317 Y N 1.415 121.788 120.300 0.122 0.000 2.471 317 Y HA 0.161 4.711 4.550 -0.000 0.000 0.286 317 Y C 1.759 177.706 175.900 0.079 0.000 1.188 317 Y CA 0.037 58.225 58.100 0.147 0.000 1.286 317 Y CB 0.573 39.114 38.460 0.135 0.000 1.072 317 Y HN 0.174 nan 8.280 nan 0.000 0.517 318 D N -0.884 119.627 120.400 0.186 0.000 2.351 318 D HA -0.132 4.508 4.640 -0.000 0.000 0.216 318 D C 1.876 178.241 176.300 0.107 0.000 0.968 318 D CA 1.317 55.395 54.000 0.130 0.000 0.899 318 D CB -0.082 40.780 40.800 0.103 0.000 0.907 318 D HN 0.339 nan 8.370 nan 0.000 0.514 319 S N -1.050 114.733 115.700 0.138 0.000 2.540 319 S HA 0.363 4.833 4.470 -0.000 0.000 0.218 319 S C 0.874 175.442 174.600 -0.053 0.000 0.977 319 S CA -0.505 57.783 58.200 0.147 0.000 0.918 319 S CB 0.407 63.800 63.200 0.321 0.000 0.806 319 S HN 0.123 nan 8.310 nan 0.000 0.496 320 A N 2.177 124.813 122.820 -0.307 0.000 2.309 320 A HA 0.559 4.879 4.320 -0.000 0.000 0.290 320 A C 0.645 177.764 177.584 -0.774 0.000 1.206 320 A CA -0.541 50.869 52.037 -1.044 0.000 0.850 320 A CB -0.069 18.037 19.000 -1.489 0.000 1.118 320 A HN 0.720 nan 8.150 nan 0.000 0.523 321 H N 0.135 118.881 119.070 -0.540 0.000 2.563 321 H HA 0.194 4.750 4.556 -0.000 0.000 0.264 321 H C -0.232 174.951 175.328 -0.242 0.000 0.957 321 H CA 0.298 56.173 56.048 -0.288 0.000 1.173 321 H CB -0.549 29.099 29.762 -0.191 0.000 1.420 321 H HN 0.729 nan 8.280 nan 0.000 0.551 322 Y N -0.767 119.329 120.300 -0.339 0.000 4.604 322 Y HA -0.239 4.311 4.550 -0.000 0.000 0.230 322 Y C -0.318 175.483 175.900 -0.166 0.000 1.066 322 Y CA 0.322 58.238 58.100 -0.306 0.000 1.990 322 Y CB -2.305 35.977 38.460 -0.296 0.000 1.619 322 Y HN 0.252 nan 8.280 nan 0.000 0.649 323 L N -0.196 121.101 121.223 0.123 0.000 2.332 323 L HA 0.520 4.860 4.340 -0.000 0.000 0.269 323 L C 0.656 177.539 176.870 0.022 0.000 1.016 323 L CA -1.375 53.436 54.840 -0.049 0.000 0.809 323 L CB 0.546 42.364 42.059 -0.402 0.000 1.280 323 L HN -0.136 nan 8.230 nan 0.000 0.447 324 M N 2.013 121.624 119.600 0.019 0.000 2.455 324 M HA 0.224 4.704 4.480 -0.000 0.000 0.331 324 M C 0.344 176.676 176.300 0.054 0.000 1.481 324 M CA -0.209 55.140 55.300 0.081 0.000 1.362 324 M CB -0.094 32.584 32.600 0.129 0.000 1.564 324 M HN 0.682 nan 8.290 nan 0.000 0.458 325 A N 4.013 126.867 122.820 0.057 0.000 2.292 325 A HA 0.088 4.408 4.320 -0.000 0.000 0.265 325 A C 1.157 178.768 177.584 0.045 0.000 1.133 325 A CA -0.350 51.670 52.037 -0.028 0.000 0.807 325 A CB 0.131 19.099 19.000 -0.054 0.000 1.102 325 A HN 0.977 nan 8.150 nan 0.000 0.502 326 W N -0.780 120.352 121.300 -0.281 0.000 2.425 326 W HA -0.002 4.658 4.660 -0.000 0.000 0.277 326 W C -0.453 176.104 176.519 0.064 0.000 1.231 326 W CA 2.247 59.450 57.345 -0.238 0.000 1.248 326 W CB -0.069 29.155 29.460 -0.394 0.000 1.117 326 W HN 0.677 nan 8.180 nan 0.000 0.568 327 Y N -2.929 117.463 120.300 0.153 0.000 2.662 327 Y HA 0.400 4.950 4.550 -0.000 0.000 0.334 327 Y C -0.888 175.098 175.900 0.143 0.000 1.185 327 Y CA -1.710 56.462 58.100 0.120 0.000 1.074 327 Y CB 0.005 38.548 38.460 0.138 0.000 1.330 327 Y HN -0.349 nan 8.280 nan 0.000 0.458 328 T N 1.519 116.321 114.554 0.413 0.000 2.895 328 T HA 0.896 5.246 4.350 -0.000 0.000 0.283 328 T C -0.425 174.643 174.700 0.613 0.000 1.014 328 T CA -0.191 62.171 62.100 0.436 0.000 1.037 328 T CB 1.510 70.540 68.868 0.271 0.000 1.006 328 T HN 1.060 nan 8.240 nan 0.000 0.468 329 A N 2.294 125.473 122.820 0.597 0.000 2.386 329 A HA 0.863 5.183 4.320 -0.000 0.000 0.311 329 A C -1.478 176.359 177.584 0.423 0.000 1.068 329 A CA -1.121 51.236 52.037 0.533 0.000 0.743 329 A CB 1.148 20.401 19.000 0.421 0.000 1.258 329 A HN 1.028 nan 8.150 nan 0.000 0.429 330 W N 1.032 122.162 121.300 -0.283 0.000 3.167 330 W HA 0.777 5.437 4.660 -0.000 0.000 0.324 330 W C -0.251 175.550 176.519 -1.197 0.000 1.230 330 W CA -0.346 56.507 57.345 -0.821 0.000 1.184 330 W CB 0.963 30.227 29.460 -0.328 0.000 1.414 330 W HN 1.271 nan 8.180 nan 0.000 0.551 331 G N 0.196 107.767 108.800 -2.048 0.000 2.600 331 G HA2 0.773 4.733 3.960 -0.000 0.000 0.293 331 G HA3 0.773 4.733 3.960 -0.000 0.000 0.293 331 G C -1.037 172.595 174.900 -2.113 0.000 1.408 331 G CA -0.183 43.575 45.100 -2.236 0.000 0.782 331 G HN 1.577 nan 8.290 nan 0.000 0.482 332 G N -2.016 105.432 108.800 -2.253 0.000 2.441 332 G HA2 0.670 4.630 3.960 -0.000 0.000 0.294 332 G HA3 0.670 4.630 3.960 -0.000 0.000 0.294 332 G C -0.157 173.748 174.900 -1.658 0.000 1.393 332 G CA 0.354 44.551 45.100 -1.505 0.000 0.796 332 G HN 1.437 nan 8.290 nan 0.000 0.494 333 G N -1.225 106.404 108.800 -1.953 0.000 2.527 333 G HA2 0.478 4.438 3.960 -0.000 0.000 0.248 333 G HA3 0.478 4.438 3.960 -0.000 0.000 0.248 333 G C 0.764 175.468 174.900 -0.327 0.000 1.231 333 G CA -0.433 43.907 45.100 -1.266 0.000 0.838 333 G HN 0.542 nan 8.290 nan 0.000 0.570 334 I N 1.003 121.518 120.570 -0.091 0.000 2.628 334 I HA 0.110 4.280 4.170 -0.000 0.000 0.255 334 I C 2.184 178.312 176.117 0.017 0.000 1.119 334 I CA 0.807 62.123 61.300 0.027 0.000 1.448 334 I CB 0.282 38.298 38.000 0.026 0.000 1.133 334 I HN 0.560 nan 8.210 nan 0.000 0.438 335 G N 0.961 109.782 108.800 0.036 0.000 4.291 335 G HA2 0.690 4.650 3.960 -0.000 0.000 0.304 335 G HA3 0.690 4.650 3.960 -0.000 0.000 0.304 335 G C -0.180 174.780 174.900 0.101 0.000 1.264 335 G CA 0.314 45.449 45.100 0.060 0.000 1.039 335 G HN 0.353 nan 8.290 nan 0.000 0.578 336 A N -0.311 122.562 122.820 0.088 0.000 2.569 336 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 336 A C -0.438 177.189 177.584 0.072 0.000 1.032 336 A CA -0.141 51.990 52.037 0.156 0.000 0.669 336 A CB 0.408 19.611 19.000 0.338 0.000 1.290 336 A HN 1.159 nan 8.150 nan 0.000 0.422 337 S N 2.414 118.209 115.700 0.159 0.000 2.423 337 S HA 0.752 5.222 4.470 -0.000 0.000 0.317 337 S C -0.487 174.283 174.600 0.282 0.000 1.065 337 S CA -0.199 58.077 58.200 0.126 0.000 1.111 337 S CB -0.294 62.983 63.200 0.129 0.000 0.968 337 S HN 1.727 nan 8.310 nan 0.000 0.474 338 W N 1.379 122.769 121.300 0.149 0.000 3.419 338 W HA 0.735 5.395 4.660 -0.000 0.000 0.298 338 W C -1.531 175.090 176.519 0.169 0.000 1.260 338 W CA -1.152 56.286 57.345 0.154 0.000 1.199 338 W CB 0.902 30.450 29.460 0.147 0.000 1.349 338 W HN 0.820 nan 8.180 nan 0.000 0.557 339 A N 2.872 125.965 122.820 0.455 0.000 2.587 339 A HA 0.950 5.270 4.320 -0.000 0.000 0.293 339 A C -1.589 176.326 177.584 0.552 0.000 1.087 339 A CA -0.775 51.441 52.037 0.299 0.000 0.692 339 A CB 2.020 21.162 19.000 0.238 0.000 1.291 339 A HN 1.076 nan 8.150 nan 0.000 0.407 340 W N 0.521 122.039 121.300 0.363 0.000 3.075 340 W HA 0.806 5.466 4.660 -0.000 0.000 0.334 340 W C -1.625 175.127 176.519 0.389 0.000 1.243 340 W CA -0.719 56.890 57.345 0.439 0.000 1.170 340 W CB 1.327 30.981 29.460 0.324 0.000 1.452 340 W HN 0.869 nan 8.180 nan 0.000 0.572 341 K N 2.372 123.227 120.400 0.759 0.000 2.498 341 K HA 0.599 4.919 4.320 -0.000 0.000 0.254 341 K C -1.220 175.776 176.600 0.659 0.000 0.933 341 K CA -0.623 55.959 56.287 0.492 0.000 0.806 341 K CB 2.783 35.373 32.500 0.149 0.000 1.301 341 K HN 0.619 nan 8.250 nan 0.000 0.432 342 I N -0.146 120.742 120.570 0.530 0.000 2.689 342 I HA 0.666 4.836 4.170 -0.000 0.000 0.299 342 I C 0.174 176.367 176.117 0.126 0.000 1.059 342 I CA -0.837 60.613 61.300 0.251 0.000 1.055 342 I CB 2.105 40.189 38.000 0.139 0.000 1.243 342 I HN 0.651 nan 8.210 nan 0.000 0.425 343 G N 2.278 110.977 108.800 -0.169 0.000 2.714 343 G HA2 0.496 4.456 3.960 -0.000 0.000 0.197 343 G HA3 0.496 4.456 3.960 -0.000 0.000 0.197 343 G C -1.116 173.636 174.900 -0.247 0.000 1.449 343 G CA -0.485 44.519 45.100 -0.160 0.000 1.065 343 G HN 0.813 nan 8.290 nan 0.000 0.575 344 C N -1.711 117.399 119.300 -0.317 0.000 2.891 344 C HA 0.632 5.092 4.460 -0.000 0.000 0.342 344 C C 1.296 176.080 174.990 -0.342 0.000 1.126 344 C CA -0.341 58.358 59.018 -0.533 0.000 1.322 344 C CB 1.116 28.311 27.740 -0.908 0.000 1.763 344 C HN 0.552 nan 8.230 nan 0.000 0.491 345 S N 1.782 117.167 115.700 -0.525 0.000 2.558 345 S HA 0.145 4.615 4.470 -0.000 0.000 0.217 345 S C 0.148 174.541 174.600 -0.345 0.000 0.975 345 S CA 0.350 58.331 58.200 -0.364 0.000 0.912 345 S CB -0.309 62.658 63.200 -0.389 0.000 0.776 345 S HN 0.791 nan 8.310 nan 0.000 0.526 346 H N 0.940 119.839 119.070 -0.285 0.000 2.466 346 H HA 0.719 5.275 4.556 -0.000 0.000 0.338 346 H C -0.306 174.849 175.328 -0.288 0.000 1.091 346 H CA -1.099 54.767 56.048 -0.302 0.000 1.207 346 H CB 1.133 30.675 29.762 -0.367 0.000 1.466 346 H HN 0.128 nan 8.280 nan 0.000 0.493 347 A N 3.107 125.846 122.820 -0.135 0.000 2.371 347 A HA 0.421 4.741 4.320 -0.000 0.000 0.311 347 A C -1.162 176.462 177.584 0.068 0.000 1.068 347 A CA -0.606 51.353 52.037 -0.130 0.000 0.744 347 A CB 1.638 20.381 19.000 -0.428 0.000 1.239 347 A HN 0.769 nan 8.150 nan 0.000 0.435 348 H N 2.798 121.861 119.070 -0.013 0.000 2.529 348 H HA 0.367 4.923 4.556 -0.000 0.000 0.348 348 H C 0.479 175.806 175.328 -0.002 0.000 1.079 348 H CA -0.844 55.172 56.048 -0.054 0.000 1.198 348 H CB 1.215 30.856 29.762 -0.202 0.000 1.521 348 H HN 0.701 nan 8.280 nan 0.000 0.514 349 F N 3.294 123.248 119.950 0.008 0.000 2.250 349 F HA 0.034 4.561 4.527 -0.000 0.000 0.301 349 F C 1.771 177.595 175.800 0.039 0.000 1.077 349 F CA 1.290 59.212 58.000 -0.130 0.000 1.348 349 F CB -0.700 37.993 39.000 -0.512 0.000 1.040 349 F HN 0.519 nan 8.300 nan 0.000 0.509 350 G N -0.835 107.337 108.800 -1.048 0.000 2.470 350 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 350 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 350 G C 1.038 175.838 174.900 -0.166 0.000 1.121 350 G CA 0.651 45.181 45.100 -0.949 0.000 0.766 350 G HN 0.489 nan 8.290 nan 0.000 0.553 351 Y N 0.580 120.680 120.300 -0.334 0.000 2.466 351 Y HA 0.252 4.802 4.550 -0.000 0.000 0.272 351 Y C 1.118 176.980 175.900 -0.063 0.000 1.169 351 Y CA -0.647 57.335 58.100 -0.196 0.000 1.285 351 Y CB 0.132 38.448 38.460 -0.240 0.000 1.078 351 Y HN 0.121 nan 8.280 nan 0.000 0.523 352 Q N 0.621 120.489 119.800 0.113 0.000 2.306 352 Q HA 0.161 4.501 4.340 -0.000 0.000 0.241 352 Q C -0.229 175.899 176.000 0.212 0.000 0.948 352 Q CA -0.027 55.873 55.803 0.161 0.000 0.886 352 Q CB 0.924 29.751 28.738 0.148 0.000 1.227 352 Q HN 0.093 nan 8.270 nan 0.000 0.457 353 N N 2.032 120.859 118.700 0.212 0.000 2.707 353 N HA 0.195 4.935 4.740 -0.000 0.000 0.249 353 N C -2.342 173.283 175.510 0.193 0.000 1.299 353 N CA -1.534 51.624 53.050 0.179 0.000 0.769 353 N CB 1.181 39.712 38.487 0.072 0.000 1.236 353 N HN 0.111 nan 8.380 nan 0.000 0.524 354 P HA -0.043 nan 4.420 nan 0.000 0.229 354 P C 1.382 178.739 177.300 0.095 0.000 1.160 354 P CA 0.347 63.546 63.100 0.164 0.000 0.777 354 P CB 0.210 31.945 31.700 0.058 0.000 0.814 355 F N 1.881 121.826 119.950 -0.008 0.000 2.060 355 F HA -0.162 4.365 4.527 -0.000 0.000 0.295 355 F C 2.573 178.310 175.800 -0.104 0.000 1.120 355 F CA 1.684 59.674 58.000 -0.017 0.000 1.205 355 F CB -0.813 38.163 39.000 -0.040 0.000 0.986 355 F HN -0.156 nan 8.300 nan 0.000 0.470 356 Q N 0.768 120.501 119.800 -0.112 0.000 2.135 356 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 356 Q C 2.323 178.000 176.000 -0.539 0.000 0.981 356 Q CA 1.853 57.439 55.803 -0.362 0.000 0.856 356 Q CB -1.089 27.506 28.738 -0.239 0.000 0.902 356 Q HN 0.542 nan 8.270 nan 0.000 0.425 357 G N 0.096 108.712 108.800 -0.307 0.000 2.446 357 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 357 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 357 G C 1.130 175.894 174.900 -0.227 0.000 1.168 357 G CA 0.820 45.822 45.100 -0.163 0.000 0.771 357 G HN 0.620 nan 8.290 nan 0.000 0.551 358 W N 0.989 121.911 121.300 -0.631 0.000 2.402 358 W HA -0.014 4.646 4.660 -0.000 0.000 0.286 358 W C 2.299 178.351 176.519 -0.779 0.000 1.221 358 W CA 1.394 58.140 57.345 -0.998 0.000 1.257 358 W CB -0.194 28.721 29.460 -0.908 0.000 1.120 358 W HN 0.034 nan 8.180 nan 0.000 0.551 359 V N 0.577 119.936 119.914 -0.925 0.000 2.261 359 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 359 V C 2.411 178.026 176.094 -0.799 0.000 1.047 359 V CA 2.434 64.065 62.300 -1.116 0.000 1.015 359 V CB -1.323 29.794 31.823 -1.176 0.000 0.642 359 V HN 0.173 nan 8.190 nan 0.000 0.446 360 S N 0.229 115.504 115.700 -0.707 0.000 2.399 360 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 360 S C 2.134 176.555 174.600 -0.297 0.000 1.022 360 S CA 1.363 59.239 58.200 -0.541 0.000 0.983 360 S CB -0.448 62.129 63.200 -1.038 0.000 0.803 360 S HN 0.651 nan 8.310 nan 0.000 0.480 361 A N 1.180 123.842 122.820 -0.264 0.000 1.929 361 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 361 A C 2.271 179.738 177.584 -0.195 0.000 1.176 361 A CA 1.850 53.852 52.037 -0.059 0.000 0.628 361 A CB -0.582 18.520 19.000 0.170 0.000 0.816 361 A HN 0.605 nan 8.150 nan 0.000 0.444 362 T N -4.876 109.389 114.554 -0.481 0.000 2.986 362 T HA 0.197 4.546 4.350 -0.000 0.000 0.264 362 T C 0.204 174.624 174.700 -0.468 0.000 0.964 362 T CA -0.308 61.508 62.100 -0.473 0.000 0.895 362 T CB 0.159 68.627 68.868 -0.667 0.000 1.163 362 T HN 0.156 nan 8.240 nan 0.000 0.517 363 Q N 2.401 121.901 119.800 -0.500 0.000 2.331 363 Q HA 0.425 4.765 4.340 -0.000 0.000 0.257 363 Q C 1.162 177.088 176.000 -0.124 0.000 0.957 363 Q CA -0.005 55.608 55.803 -0.318 0.000 0.923 363 Q CB 1.825 30.370 28.738 -0.323 0.000 1.212 363 Q HN 0.525 nan 8.270 nan 0.000 0.443 364 S N 1.931 117.564 115.700 -0.112 0.000 2.368 364 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 364 S C 0.897 175.428 174.600 -0.115 0.000 1.030 364 S CA 1.346 59.486 58.200 -0.099 0.000 0.999 364 S CB 0.017 63.160 63.200 -0.095 0.000 0.844 364 S HN 0.485 nan 8.310 nan 0.000 0.459 365 D N 1.212 121.529 120.400 -0.137 0.000 2.228 365 D HA -0.044 4.596 4.640 -0.000 0.000 0.203 365 D C 0.713 176.726 176.300 -0.478 0.000 0.988 365 D CA 0.960 54.770 54.000 -0.317 0.000 0.864 365 D CB -0.370 40.187 40.800 -0.406 0.000 0.928 365 D HN 0.557 nan 8.370 nan 0.000 0.469 366 F N 0.289 120.114 119.950 -0.209 0.000 2.647 366 F HA 0.382 4.909 4.527 -0.000 0.000 0.300 366 F C 0.904 176.596 175.800 -0.181 0.000 1.106 366 F CA -0.689 57.185 58.000 -0.210 0.000 1.313 366 F CB -0.204 38.639 39.000 -0.261 0.000 1.007 366 F HN -0.243 nan 8.300 nan 0.000 0.536 367 A N 1.690 124.490 122.820 -0.034 0.000 2.566 367 A HA 0.211 4.531 4.320 -0.000 0.000 0.245 367 A C -2.123 175.462 177.584 0.002 0.000 1.056 367 A CA -0.936 51.082 52.037 -0.032 0.000 0.757 367 A CB -0.632 18.335 19.000 -0.054 0.000 0.979 367 A HN 0.029 nan 8.150 nan 0.000 0.508 368 P HA 0.058 nan 4.420 nan 0.000 0.264 368 P C 0.606 177.937 177.300 0.051 0.000 1.193 368 P CA 0.040 63.201 63.100 0.101 0.000 0.763 368 P CB 0.617 32.409 31.700 0.153 0.000 0.810 369 K N 2.408 122.850 120.400 0.070 0.000 2.228 369 K HA -0.021 4.298 4.320 -0.000 0.000 0.202 369 K C 0.715 177.224 176.600 -0.152 0.000 1.051 369 K CA 0.384 56.636 56.287 -0.057 0.000 0.960 369 K CB -0.002 32.452 32.500 -0.077 0.000 0.743 369 K HN 0.615 nan 8.250 nan 0.000 0.458 370 S N -0.217 115.398 115.700 -0.141 0.000 2.596 370 S HA -0.020 4.450 4.470 -0.000 0.000 0.260 370 S C 1.095 175.654 174.600 -0.069 0.000 1.336 370 S CA -0.051 58.056 58.200 -0.153 0.000 0.993 370 S CB 1.461 64.600 63.200 -0.102 0.000 0.923 370 S HN 0.308 nan 8.310 nan 0.000 0.567 371 S N 0.738 116.401 115.700 -0.062 0.000 2.470 371 S HA 0.048 4.518 4.470 -0.000 0.000 0.225 371 S C 0.865 175.461 174.600 -0.006 0.000 1.006 371 S CA 0.168 58.347 58.200 -0.034 0.000 0.934 371 S CB -0.544 62.634 63.200 -0.038 0.000 0.778 371 S HN 0.735 nan 8.310 nan 0.000 0.517 372 N N 1.009 119.719 118.700 0.016 0.000 2.205 372 N HA 0.257 4.997 4.740 -0.000 0.000 0.201 372 N C 1.550 177.096 175.510 0.059 0.000 1.128 372 N CA 0.656 53.727 53.050 0.035 0.000 0.867 372 N CB -0.002 38.527 38.487 0.070 0.000 0.996 372 N HN 0.521 nan 8.380 nan 0.000 0.503 373 G N 1.396 110.246 108.800 0.083 0.000 2.440 373 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 373 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 373 G C 1.544 176.576 174.900 0.221 0.000 1.154 373 G CA 0.730 45.929 45.100 0.165 0.000 0.767 373 G HN 0.273 nan 8.290 nan 0.000 0.552 374 K N 0.254 120.739 120.400 0.142 0.000 2.057 374 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 374 K C 2.553 179.219 176.600 0.110 0.000 1.050 374 K CA 0.943 57.309 56.287 0.132 0.000 0.935 374 K CB -0.184 32.348 32.500 0.053 0.000 0.715 374 K HN 0.242 nan 8.250 nan 0.000 0.439 375 R N 0.624 121.149 120.500 0.042 0.000 2.081 375 R HA -0.145 4.195 4.340 -0.000 0.000 0.235 375 R C 1.284 177.555 176.300 -0.049 0.000 1.131 375 R CA 2.049 58.136 56.100 -0.020 0.000 0.960 375 R CB -0.191 30.070 30.300 -0.064 0.000 0.856 375 R HN 0.202 nan 8.270 nan 0.000 0.436 376 D N -0.356 120.024 120.400 -0.034 0.000 2.117 376 D HA -0.181 4.459 4.640 -0.000 0.000 0.197 376 D C 1.661 177.891 176.300 -0.116 0.000 0.987 376 D CA 1.199 55.153 54.000 -0.077 0.000 0.829 376 D CB -0.492 40.281 40.800 -0.045 0.000 0.961 376 D HN 0.358 nan 8.370 nan 0.000 0.460 377 W N 1.171 122.504 121.300 0.054 0.000 2.402 377 W HA -0.119 4.541 4.660 -0.000 0.000 0.286 377 W C 2.512 179.096 176.519 0.109 0.000 1.221 377 W CA 1.060 58.450 57.345 0.076 0.000 1.257 377 W CB -0.422 29.071 29.460 0.054 0.000 1.120 377 W HN -0.090 nan 8.180 nan 0.000 0.551 378 T N -0.484 114.223 114.554 0.256 0.000 2.684 378 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 378 T C 1.597 176.218 174.700 -0.132 0.000 1.036 378 T CA 2.114 64.304 62.100 0.151 0.000 1.148 378 T CB -0.753 68.157 68.868 0.070 0.000 0.863 378 T HN 0.077 nan 8.240 nan 0.000 0.436 379 T N 1.315 115.734 114.554 -0.224 0.000 2.708 379 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 379 T C 2.338 176.806 174.700 -0.387 0.000 1.037 379 T CA 1.500 63.331 62.100 -0.447 0.000 1.146 379 T CB -0.475 67.903 68.868 -0.817 0.000 0.865 379 T HN 0.369 nan 8.240 nan 0.000 0.435 380 S N 0.729 116.310 115.700 -0.198 0.000 2.348 380 S HA -0.148 4.322 4.470 -0.000 0.000 0.221 380 S C 2.076 176.728 174.600 0.087 0.000 1.033 380 S CA 1.716 59.892 58.200 -0.040 0.000 1.010 380 S CB -0.599 62.548 63.200 -0.089 0.000 0.891 380 S HN 0.737 nan 8.310 nan 0.000 0.442 381 Y N 1.119 121.518 120.300 0.165 0.000 2.274 381 Y HA 0.063 4.613 4.550 -0.000 0.000 0.290 381 Y C 1.966 177.879 175.900 0.022 0.000 1.145 381 Y CA 1.507 59.682 58.100 0.126 0.000 1.203 381 Y CB -0.460 38.084 38.460 0.141 0.000 0.984 381 Y HN 0.151 nan 8.280 nan 0.000 0.533 382 K N 0.120 120.148 120.400 -0.620 0.000 2.103 382 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 382 K C 2.242 178.753 176.600 -0.148 0.000 1.052 382 K CA 1.245 57.260 56.287 -0.453 0.000 0.945 382 K CB -0.192 32.010 32.500 -0.495 0.000 0.722 382 K HN 0.164 nan 8.250 nan 0.000 0.443 383 R N 1.940 122.349 120.500 -0.152 0.000 2.081 383 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 383 R C 2.031 178.394 176.300 0.105 0.000 1.131 383 R CA 1.648 57.706 56.100 -0.069 0.000 0.960 383 R CB -0.249 29.939 30.300 -0.186 0.000 0.856 383 R HN 0.231 nan 8.270 nan 0.000 0.436 384 Q N -0.267 119.586 119.800 0.089 0.000 2.084 384 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 384 Q C 2.153 178.342 176.000 0.315 0.000 0.978 384 Q CA 1.722 57.635 55.803 0.183 0.000 0.844 384 Q CB -0.162 28.714 28.738 0.230 0.000 0.898 384 Q HN 0.350 nan 8.270 nan 0.000 0.426 385 L N 0.574 121.913 121.223 0.193 0.000 2.083 385 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 385 L C 2.144 179.112 176.870 0.162 0.000 1.083 385 L CA 1.201 56.127 54.840 0.144 0.000 0.752 385 L CB -0.339 41.698 42.059 -0.038 0.000 0.899 385 L HN 0.268 nan 8.230 nan 0.000 0.433 386 E N -0.587 119.709 120.200 0.160 0.000 2.106 386 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 386 E C 2.022 178.553 176.600 -0.114 0.000 0.984 386 E CA 0.991 57.430 56.400 0.065 0.000 0.806 386 E CB -0.108 29.744 29.700 0.254 0.000 0.750 386 E HN 0.303 nan 8.360 nan 0.000 0.458 387 F N 0.800 120.612 119.950 -0.229 0.000 2.069 387 F HA -0.271 4.256 4.527 -0.000 0.000 0.298 387 F C 1.809 177.403 175.800 -0.344 0.000 1.113 387 F CA 1.529 59.143 58.000 -0.644 0.000 1.214 387 F CB -0.625 38.036 39.000 -0.565 0.000 0.978 387 F HN 0.026 nan 8.300 nan 0.000 0.474 388 Y N 0.545 120.733 120.300 -0.187 0.000 2.114 388 Y HA -0.325 4.225 4.550 -0.000 0.000 0.282 388 Y C 2.675 178.366 175.900 -0.349 0.000 1.165 388 Y CA 2.153 60.091 58.100 -0.270 0.000 1.148 388 Y CB -0.962 37.409 38.460 -0.149 0.000 0.972 388 Y HN 0.188 nan 8.280 nan 0.000 0.504 389 Q N -1.700 118.029 119.800 -0.118 0.000 2.084 389 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 389 Q C 2.050 177.956 176.000 -0.157 0.000 0.978 389 Q CA 1.677 57.352 55.803 -0.213 0.000 0.844 389 Q CB -0.644 28.073 28.738 -0.035 0.000 0.898 389 Q HN 0.671 nan 8.270 nan 0.000 0.426 390 W N 1.253 122.262 121.300 -0.484 0.000 2.363 390 W HA -0.118 4.542 4.660 -0.000 0.000 0.296 390 W C 1.132 177.519 176.519 -0.219 0.000 1.212 390 W CA 1.137 58.333 57.345 -0.249 0.000 1.260 390 W CB -0.048 29.150 29.460 -0.436 0.000 1.131 390 W HN 0.022 nan 8.180 nan 0.000 0.530 391 L N 0.648 121.505 121.223 -0.609 0.000 2.592 391 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 391 L C 1.226 177.752 176.870 -0.573 0.000 1.127 391 L CA 0.042 54.368 54.840 -0.857 0.000 0.884 391 L CB -0.690 40.776 42.059 -0.987 0.000 1.065 391 L HN -0.136 nan 8.230 nan 0.000 0.457 392 Q N 1.796 121.371 119.800 -0.375 0.000 2.281 392 Q HA 0.100 4.440 4.340 -0.000 0.000 0.267 392 Q C 0.551 176.491 176.000 -0.100 0.000 1.053 392 Q CA -0.280 55.364 55.803 -0.264 0.000 0.905 392 Q CB 0.776 29.300 28.738 -0.355 0.000 1.195 392 Q HN 0.395 nan 8.270 nan 0.000 0.398 393 S N 3.057 118.673 115.700 -0.139 0.000 2.587 393 S HA 0.163 4.633 4.470 -0.000 0.000 0.260 393 S C 1.186 175.720 174.600 -0.109 0.000 1.353 393 S CA -0.115 58.010 58.200 -0.126 0.000 0.995 393 S CB 1.029 64.175 63.200 -0.090 0.000 0.912 393 S HN 0.766 nan 8.310 nan 0.000 0.568 394 A N 0.878 123.587 122.820 -0.184 0.000 1.940 394 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 394 A C 2.002 179.542 177.584 -0.074 0.000 1.176 394 A CA 1.906 53.866 52.037 -0.128 0.000 0.631 394 A CB -1.152 17.724 19.000 -0.206 0.000 0.814 394 A HN 0.898 nan 8.150 nan 0.000 0.446 395 E N -1.905 118.214 120.200 -0.136 0.000 2.158 395 E HA 0.265 4.615 4.350 -0.000 0.000 0.191 395 E C 1.474 177.915 176.600 -0.265 0.000 0.982 395 E CA 1.104 57.421 56.400 -0.139 0.000 0.823 395 E CB -0.105 29.505 29.700 -0.151 0.000 0.766 395 E HN 0.762 nan 8.360 nan 0.000 0.468 396 G N -0.626 107.925 108.800 -0.415 0.000 2.421 396 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.188 396 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.188 396 G C 0.620 175.234 174.900 -0.477 0.000 1.001 396 G CA -0.375 44.540 45.100 -0.307 0.000 0.693 396 G HN 0.533 nan 8.290 nan 0.000 0.479 397 G N 0.665 108.677 108.800 -1.313 0.000 2.544 397 G HA2 0.488 4.448 3.960 -0.000 0.000 0.242 397 G HA3 0.488 4.448 3.960 -0.000 0.000 0.242 397 G C 0.222 174.991 174.900 -0.219 0.000 1.247 397 G CA -0.187 44.283 45.100 -1.050 0.000 0.840 397 G HN 0.395 nan 8.290 nan 0.000 0.578 398 I N 1.562 122.026 120.570 -0.178 0.000 2.342 398 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 398 I C 1.076 176.640 176.117 -0.922 0.000 1.010 398 I CA -0.961 59.944 61.300 -0.658 0.000 1.308 398 I CB 0.385 37.669 38.000 -1.194 0.000 1.400 398 I HN 0.534 nan 8.210 nan 0.000 0.488 399 A N 5.050 127.253 122.820 -1.028 0.000 2.292 399 A HA 0.569 4.889 4.320 -0.000 0.000 0.265 399 A C 1.438 178.375 177.584 -1.078 0.000 1.133 399 A CA 0.297 51.425 52.037 -1.516 0.000 0.807 399 A CB -0.262 18.113 19.000 -1.042 0.000 1.102 399 A HN 0.870 nan 8.150 nan 0.000 0.502 400 G N -1.152 107.049 108.800 -0.999 0.000 2.524 400 G HA2 0.360 4.320 3.960 -0.000 0.000 0.215 400 G HA3 0.360 4.320 3.960 -0.000 0.000 0.215 400 G C 0.856 175.345 174.900 -0.685 0.000 1.239 400 G CA 1.565 46.160 45.100 -0.842 0.000 0.798 400 G HN 2.010 nan 8.290 nan 0.000 0.557 401 G N -1.845 106.613 108.800 -0.571 0.000 2.513 401 G HA2 0.615 4.574 3.960 -0.000 0.000 0.182 401 G HA3 0.615 4.574 3.960 -0.000 0.000 0.182 401 G C -1.424 173.459 174.900 -0.028 0.000 1.190 401 G CA 0.294 45.250 45.100 -0.240 0.000 0.987 401 G HN 1.524 nan 8.290 nan 0.000 0.479 402 A N -1.651 121.273 122.820 0.172 0.000 2.610 402 A HA 0.934 5.254 4.320 -0.000 0.000 0.291 402 A C -0.726 176.888 177.584 0.050 0.000 1.086 402 A CA 0.531 52.685 52.037 0.194 0.000 0.677 402 A CB 1.490 20.778 19.000 0.480 0.000 1.278 402 A HN 1.913 nan 8.150 nan 0.000 0.414 403 T N -0.743 113.850 114.554 0.065 0.000 2.909 403 T HA 0.448 4.798 4.350 -0.000 0.000 0.299 403 T C 0.183 174.988 174.700 0.174 0.000 1.073 403 T CA -0.299 61.862 62.100 0.101 0.000 0.999 403 T CB 1.498 70.423 68.868 0.094 0.000 1.098 403 T HN 0.680 nan 8.240 nan 0.000 0.477 404 N N 1.878 120.676 118.700 0.163 0.000 2.336 404 N HA 0.159 4.899 4.740 -0.000 0.000 0.189 404 N C -0.222 175.445 175.510 0.262 0.000 1.113 404 N CA 0.061 53.274 53.050 0.272 0.000 0.858 404 N CB 0.403 39.041 38.487 0.253 0.000 0.970 404 N HN 0.372 nan 8.380 nan 0.000 0.471 405 S N 0.193 115.959 115.700 0.109 0.000 2.524 405 S HA 0.134 4.604 4.470 -0.000 0.000 0.227 405 S C -1.320 173.310 174.600 0.051 0.000 1.304 405 S CA -0.784 57.303 58.200 -0.189 0.000 1.185 405 S CB -0.355 62.401 63.200 -0.740 0.000 1.104 405 S HN 0.289 nan 8.310 nan 0.000 0.475 406 W N 4.841 126.193 121.300 0.086 0.000 2.322 406 W HA 0.096 4.756 4.660 -0.000 0.000 0.328 406 W C 0.102 176.626 176.519 0.009 0.000 1.395 406 W CA 0.500 57.899 57.345 0.090 0.000 1.267 406 W CB 0.021 29.627 29.460 0.243 0.000 1.259 406 W HN 0.871 nan 8.180 nan 0.000 0.560 407 N N 3.019 121.357 118.700 -0.603 0.000 2.753 407 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 407 N C 0.888 176.266 175.510 -0.220 0.000 1.097 407 N CA 1.960 54.772 53.050 -0.396 0.000 0.786 407 N CB -1.523 36.849 38.487 -0.192 0.000 1.137 407 N HN 0.891 nan 8.380 nan 0.000 0.566 408 G N -0.440 108.259 108.800 -0.169 0.000 2.168 408 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.257 408 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.257 408 G C 0.617 175.445 174.900 -0.119 0.000 0.997 408 G CA 0.855 45.889 45.100 -0.108 0.000 0.708 408 G HN 0.600 nan 8.290 nan 0.000 0.520 409 R N -1.573 118.887 120.500 -0.067 0.000 2.592 409 R HA 0.325 4.665 4.340 -0.000 0.000 0.439 409 R C 0.236 176.682 176.300 0.243 0.000 0.995 409 R CA -0.507 55.666 56.100 0.121 0.000 1.141 409 R CB 0.457 30.797 30.300 0.067 0.000 1.495 409 R HN 0.422 nan 8.270 nan 0.000 0.579 410 Y N 0.667 121.079 120.300 0.186 0.000 3.389 410 Y HA -0.301 4.249 4.550 -0.000 0.000 0.213 410 Y C -0.060 175.922 175.900 0.137 0.000 1.272 410 Y CA 0.457 58.655 58.100 0.163 0.000 1.444 410 Y CB -2.130 36.386 38.460 0.094 0.000 1.445 410 Y HN 0.258 nan 8.280 nan 0.000 0.583 411 E N 0.408 120.781 120.200 0.287 0.000 2.371 411 E HA 0.219 4.569 4.350 -0.000 0.000 0.257 411 E C 0.294 176.991 176.600 0.163 0.000 1.134 411 E CA -1.089 55.455 56.400 0.239 0.000 0.919 411 E CB 0.502 30.387 29.700 0.308 0.000 1.025 411 E HN -0.034 nan 8.360 nan 0.000 0.438 412 K N 1.601 122.025 120.400 0.040 0.000 2.489 412 K HA 0.012 4.332 4.320 -0.000 0.000 0.278 412 K C -0.469 176.063 176.600 -0.114 0.000 1.000 412 K CA 0.402 56.635 56.287 -0.091 0.000 1.012 412 K CB -0.056 32.403 32.500 -0.068 0.000 0.903 412 K HN 0.348 nan 8.250 nan 0.000 0.485 413 Y N 2.292 122.451 120.300 -0.235 0.000 2.511 413 Y HA 0.079 4.629 4.550 -0.000 0.000 0.332 413 Y C -1.516 174.097 175.900 -0.478 0.000 1.177 413 Y CA -2.614 55.163 58.100 -0.539 0.000 1.422 413 Y CB -0.899 37.359 38.460 -0.336 0.000 1.271 413 Y HN 0.425 nan 8.280 nan 0.000 0.550 414 P HA 0.078 nan 4.420 nan 0.000 0.267 414 P C -0.651 176.567 177.300 -0.137 0.000 1.200 414 P CA -0.176 62.773 63.100 -0.252 0.000 0.772 414 P CB 0.513 32.059 31.700 -0.258 0.000 0.855 415 A N 2.604 125.384 122.820 -0.066 0.000 2.584 415 A HA 0.353 4.673 4.320 -0.000 0.000 0.239 415 A C 1.527 179.097 177.584 -0.024 0.000 1.043 415 A CA 0.802 52.821 52.037 -0.031 0.000 0.756 415 A CB -1.451 17.541 19.000 -0.014 0.000 0.963 415 A HN 0.948 nan 8.150 nan 0.000 0.511 416 G N 2.193 110.989 108.800 -0.006 0.000 2.143 416 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 416 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 416 G C 0.372 175.277 174.900 0.009 0.000 0.991 416 G CA 0.505 45.608 45.100 0.006 0.000 0.689 416 G HN 1.231 nan 8.290 nan 0.000 0.522 417 T N 1.261 115.806 114.554 -0.015 0.000 2.814 417 T HA 0.468 4.818 4.350 -0.000 0.000 0.297 417 T C 0.771 175.503 174.700 0.054 0.000 0.956 417 T CA 0.802 62.885 62.100 -0.028 0.000 1.123 417 T CB 1.357 70.110 68.868 -0.192 0.000 0.902 417 T HN 0.734 nan 8.240 nan 0.000 0.528 418 S N 3.503 119.279 115.700 0.126 0.000 2.548 418 S HA 0.477 4.947 4.470 -0.000 0.000 0.277 418 S C 0.317 175.118 174.600 0.335 0.000 1.315 418 S CA -0.651 57.686 58.200 0.228 0.000 1.050 418 S CB 0.154 63.487 63.200 0.221 0.000 0.918 418 S HN 0.847 nan 8.310 nan 0.000 0.497 419 T N 1.853 116.579 114.554 0.287 0.000 2.916 419 T HA 0.692 5.041 4.350 -0.000 0.000 0.292 419 T C -1.083 173.551 174.700 -0.109 0.000 1.064 419 T CA -0.759 61.433 62.100 0.153 0.000 1.011 419 T CB 1.294 70.230 68.868 0.113 0.000 1.152 419 T HN 0.600 nan 8.240 nan 0.000 0.510 420 F N 2.040 121.706 119.950 -0.473 0.000 2.612 420 F HA 0.453 4.980 4.527 -0.000 0.000 0.332 420 F C -0.787 174.959 175.800 -0.091 0.000 1.167 420 F CA -1.123 56.479 58.000 -0.663 0.000 0.970 420 F CB 0.772 38.922 39.000 -1.416 0.000 1.234 420 F HN 0.803 nan 8.300 nan 0.000 0.453 421 Y N 4.363 124.376 120.300 -0.479 0.000 3.225 421 Y HA -0.195 4.355 4.550 -0.000 0.000 0.211 421 Y C 1.447 177.316 175.900 -0.051 0.000 1.223 421 Y CA 1.349 59.283 58.100 -0.277 0.000 1.284 421 Y CB -1.246 36.990 38.460 -0.374 0.000 1.367 421 Y HN 1.147 nan 8.280 nan 0.000 0.566 422 G N -1.595 107.259 108.800 0.090 0.000 2.176 422 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.253 422 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.253 422 G C 0.228 175.321 174.900 0.321 0.000 0.979 422 G CA 0.152 45.369 45.100 0.195 0.000 0.641 422 G HN 0.399 nan 8.290 nan 0.000 0.530 423 M N 0.984 120.732 119.600 0.248 0.000 2.318 423 M HA 0.623 5.103 4.480 -0.000 0.000 0.347 423 M C 0.610 176.950 176.300 0.067 0.000 1.175 423 M CA -0.164 55.273 55.300 0.228 0.000 1.075 423 M CB 1.795 34.526 32.600 0.218 0.000 1.614 423 M HN 0.384 nan 8.290 nan 0.000 0.456 424 A N 2.653 125.351 122.820 -0.203 0.000 2.366 424 A HA 0.256 4.576 4.320 -0.000 0.000 0.272 424 A C -0.854 176.836 177.584 0.178 0.000 1.135 424 A CA -0.359 51.491 52.037 -0.312 0.000 0.804 424 A CB 0.025 18.537 19.000 -0.812 0.000 1.064 424 A HN 0.746 nan 8.150 nan 0.000 0.499 425 Y N 3.278 123.724 120.300 0.244 0.000 2.712 425 Y HA 0.296 4.846 4.550 -0.000 0.000 0.333 425 Y C 0.184 176.150 175.900 0.110 0.000 1.225 425 Y CA 0.797 59.045 58.100 0.246 0.000 1.499 425 Y CB 0.503 39.028 38.460 0.108 0.000 1.288 425 Y HN 0.854 nan 8.280 nan 0.000 0.575 426 V N 6.275 125.651 119.914 -0.897 0.000 2.686 426 V HA 0.465 4.585 4.120 -0.000 0.000 0.306 426 V C -2.487 172.804 176.094 -1.339 0.000 1.065 426 V CA -2.002 59.733 62.300 -0.942 0.000 0.894 426 V CB 2.038 33.527 31.823 -0.556 0.000 1.004 426 V HN 0.645 nan 8.190 nan 0.000 0.424 427 P HA -0.015 nan 4.420 nan 0.000 0.221 427 P C 0.196 176.893 177.300 -1.005 0.000 1.150 427 P CA 1.214 63.749 63.100 -0.941 0.000 0.800 427 P CB 0.060 31.458 31.700 -0.503 0.000 0.787 428 H N -0.664 118.159 119.070 -0.412 0.000 2.448 428 H HA 0.355 4.911 4.556 -0.000 0.000 0.237 428 H C -2.429 172.666 175.328 -0.389 0.000 1.391 428 H CA -2.391 53.476 56.048 -0.301 0.000 1.477 428 H CB 0.449 30.126 29.762 -0.141 0.000 1.520 428 H HN 0.097 nan 8.280 nan 0.000 0.502 429 P HA -0.087 nan 4.420 nan 0.000 0.264 429 P C 1.140 178.028 177.300 -0.687 0.000 1.183 429 P CA 0.493 63.298 63.100 -0.492 0.000 0.763 429 P CB 1.256 32.733 31.700 -0.372 0.000 0.807 430 V N 1.141 120.545 119.914 -0.851 0.000 0.550 430 V HA -0.321 3.799 4.120 -0.000 0.000 0.092 430 V C 0.275 175.848 176.094 -0.868 0.000 2.065 430 V CA 1.731 63.373 62.300 -1.097 0.000 3.496 430 V CB -2.164 28.470 31.823 -1.981 0.000 0.788 430 V HN 0.440 nan 8.190 nan 0.000 0.820 431 Y N -0.881 119.107 120.300 -0.519 0.000 2.429 431 Y HA 0.822 5.372 4.550 -0.000 0.000 0.342 431 Y C 0.530 176.310 175.900 -0.200 0.000 1.004 431 Y CA -0.730 57.178 58.100 -0.321 0.000 1.075 431 Y CB 1.779 40.049 38.460 -0.316 0.000 1.214 431 Y HN 0.209 nan 8.280 nan 0.000 0.455 432 A N 0.502 123.351 122.820 0.048 0.000 2.288 432 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 432 A C -0.093 177.487 177.584 -0.006 0.000 1.199 432 A CA 0.336 52.361 52.037 -0.019 0.000 0.891 432 A CB 0.190 19.177 19.000 -0.020 0.000 0.923 432 A HN 0.565 nan 8.150 nan 0.000 0.500 433 D N 1.063 121.486 120.400 0.039 0.000 2.404 433 D HA 0.384 5.024 4.640 -0.000 0.000 0.267 433 D C -2.696 173.648 176.300 0.073 0.000 1.194 433 D CA -1.666 52.369 54.000 0.059 0.000 0.910 433 D CB 1.593 42.446 40.800 0.088 0.000 1.090 433 D HN 0.153 nan 8.370 nan 0.000 0.511 434 P HA 0.360 nan 4.420 nan 0.000 0.282 434 P C 0.457 177.761 177.300 0.006 0.000 1.287 434 P CA -0.505 62.628 63.100 0.055 0.000 0.792 434 P CB 0.555 32.313 31.700 0.097 0.000 1.163 435 G N -0.014 108.695 108.800 -0.150 0.000 2.321 435 G HA2 0.117 4.077 3.960 -0.000 0.000 0.237 435 G HA3 0.117 4.077 3.960 -0.000 0.000 0.237 435 G C 1.206 176.136 174.900 0.050 0.000 1.282 435 G CA 0.225 45.064 45.100 -0.436 0.000 0.886 435 G HN 0.541 nan 8.290 nan 0.000 0.528 436 S N 1.101 116.941 115.700 0.234 0.000 2.507 436 S HA -0.111 4.359 4.470 -0.000 0.000 0.235 436 S C 1.478 176.527 174.600 0.747 0.000 0.988 436 S CA 1.046 59.498 58.200 0.420 0.000 0.944 436 S CB 0.010 63.314 63.200 0.173 0.000 0.762 436 S HN 0.514 nan 8.310 nan 0.000 0.526 437 N N 0.970 120.161 118.700 0.819 0.000 2.275 437 N HA 0.200 4.940 4.740 -0.000 0.000 0.236 437 N C 1.098 177.138 175.510 0.883 0.000 1.154 437 N CA -0.134 53.367 53.050 0.751 0.000 0.866 437 N CB 0.092 38.651 38.487 0.120 0.000 1.093 437 N HN 0.657 nan 8.380 nan 0.000 0.515 438 Q N -1.030 119.220 119.800 0.749 0.000 2.212 438 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 438 Q C -0.168 176.191 176.000 0.599 0.000 0.950 438 Q CA 0.307 56.476 55.803 0.609 0.000 0.863 438 Q CB 0.065 29.030 28.738 0.379 0.000 0.944 438 Q HN 0.364 nan 8.270 nan 0.000 0.465 439 W N 0.969 122.504 121.300 0.392 0.000 2.469 439 W HA 0.014 4.674 4.660 -0.000 0.000 0.321 439 W C 0.408 177.124 176.519 0.328 0.000 1.415 439 W CA -0.677 56.816 57.345 0.247 0.000 1.308 439 W CB 0.133 29.592 29.460 -0.002 0.000 1.368 439 W HN 0.182 nan 8.180 nan 0.000 0.546 440 F N 5.169 125.058 119.950 -0.101 0.000 2.333 440 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 440 F C 1.947 177.395 175.800 -0.585 0.000 1.083 440 F CA 1.989 59.901 58.000 -0.146 0.000 1.395 440 F CB -0.395 38.543 39.000 -0.103 0.000 1.056 440 F HN 0.461 nan 8.300 nan 0.000 0.529 441 G N 0.220 107.877 108.800 -1.905 0.000 2.469 441 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 441 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 441 G C 1.694 175.541 174.900 -1.755 0.000 1.150 441 G CA 1.089 44.577 45.100 -2.686 0.000 0.763 441 G HN 0.475 nan 8.290 nan 0.000 0.561 442 F N 0.685 120.064 119.950 -0.952 0.000 2.202 442 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 442 F C 3.097 178.905 175.800 0.014 0.000 1.082 442 F CA 0.990 58.839 58.000 -0.252 0.000 1.313 442 F CB 0.002 38.999 39.000 -0.005 0.000 1.024 442 F HN 0.083 nan 8.300 nan 0.000 0.495 443 Q N 0.457 120.366 119.800 0.180 0.000 2.030 443 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 443 Q C 2.609 178.785 176.000 0.294 0.000 0.986 443 Q CA 1.715 57.745 55.803 0.379 0.000 0.843 443 Q CB -1.000 27.782 28.738 0.073 0.000 0.904 443 Q HN 0.467 nan 8.270 nan 0.000 0.420 444 A N 0.122 122.946 122.820 0.007 0.000 1.873 444 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 444 A C 1.858 179.644 177.584 0.337 0.000 1.186 444 A CA 1.169 53.342 52.037 0.226 0.000 0.616 444 A CB -0.964 18.116 19.000 0.134 0.000 0.823 444 A HN 0.375 nan 8.150 nan 0.000 0.442 445 W N 0.062 121.419 121.300 0.096 0.000 2.335 445 W HA -0.095 4.564 4.660 -0.000 0.000 0.311 445 W C 3.006 179.607 176.519 0.136 0.000 1.213 445 W CA 1.145 58.580 57.345 0.150 0.000 1.274 445 W CB -1.228 28.323 29.460 0.152 0.000 1.148 445 W HN 0.357 nan 8.180 nan 0.000 0.498 446 S N -1.094 114.846 115.700 0.400 0.000 2.388 446 S HA -0.079 4.390 4.470 -0.000 0.000 0.223 446 S C 1.922 176.669 174.600 0.244 0.000 1.034 446 S CA 0.993 59.402 58.200 0.348 0.000 0.963 446 S CB -0.296 63.111 63.200 0.346 0.000 0.827 446 S HN -0.102 nan 8.310 nan 0.000 0.481 447 M N 1.533 121.166 119.600 0.054 0.000 2.296 447 M HA -0.003 4.476 4.480 -0.000 0.000 0.265 447 M C 2.160 178.316 176.300 -0.241 0.000 1.064 447 M CA 1.028 56.103 55.300 -0.375 0.000 1.109 447 M CB -1.321 30.504 32.600 -1.293 0.000 1.396 447 M HN 0.407 nan 8.290 nan 0.000 0.430 448 Q N 1.077 120.863 119.800 -0.023 0.000 2.152 448 Q HA -0.194 4.146 4.340 -0.000 0.000 0.206 448 Q C 1.943 177.972 176.000 0.049 0.000 0.985 448 Q CA 1.745 57.604 55.803 0.094 0.000 0.863 448 Q CB -0.123 28.764 28.738 0.248 0.000 0.904 448 Q HN 0.496 nan 8.270 nan 0.000 0.422 449 R N -0.797 119.726 120.500 0.038 0.000 2.075 449 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 449 R C 2.468 178.779 176.300 0.019 0.000 1.126 449 R CA 1.364 57.478 56.100 0.023 0.000 0.963 449 R CB -0.316 30.036 30.300 0.087 0.000 0.858 449 R HN 0.073 nan 8.270 nan 0.000 0.435 450 V N 1.070 120.928 119.914 -0.094 0.000 2.407 450 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 450 V C 2.277 178.391 176.094 0.033 0.000 1.055 450 V CA 1.476 63.694 62.300 -0.137 0.000 1.049 450 V CB -0.363 31.172 31.823 -0.480 0.000 0.662 450 V HN 0.279 nan 8.190 nan 0.000 0.455 451 M N -0.406 119.207 119.600 0.021 0.000 2.117 451 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 451 M C 2.127 178.505 176.300 0.130 0.000 1.065 451 M CA 1.562 56.947 55.300 0.141 0.000 1.114 451 M CB -1.303 31.397 32.600 0.166 0.000 1.361 451 M HN 0.444 nan 8.290 nan 0.000 0.408 452 E N -0.715 119.498 120.200 0.022 0.000 2.077 452 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 452 E C 2.007 178.617 176.600 0.017 0.000 0.989 452 E CA 1.294 57.633 56.400 -0.102 0.000 0.800 452 E CB -0.446 28.924 29.700 -0.550 0.000 0.746 452 E HN 0.500 nan 8.360 nan 0.000 0.452 453 Y N 0.600 120.938 120.300 0.062 0.000 2.114 453 Y HA -0.361 4.189 4.550 -0.000 0.000 0.282 453 Y C 2.243 178.053 175.900 -0.150 0.000 1.165 453 Y CA 1.987 60.073 58.100 -0.023 0.000 1.148 453 Y CB -0.556 37.873 38.460 -0.052 0.000 0.972 453 Y HN 0.093 nan 8.280 nan 0.000 0.504 454 Y N 0.127 120.288 120.300 -0.233 0.000 2.242 454 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 454 Y C 2.450 178.228 175.900 -0.204 0.000 1.137 454 Y CA 1.523 59.438 58.100 -0.309 0.000 1.181 454 Y CB -0.721 37.706 38.460 -0.056 0.000 0.989 454 Y HN 0.289 nan 8.280 nan 0.000 0.527 455 L N -0.062 121.120 121.223 -0.069 0.000 2.013 455 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 455 L C 2.121 179.087 176.870 0.160 0.000 1.073 455 L CA 2.040 56.900 54.840 0.034 0.000 0.753 455 L CB -0.296 41.786 42.059 0.040 0.000 0.890 455 L HN 0.253 nan 8.230 nan 0.000 0.432 456 E N -1.007 119.167 120.200 -0.043 0.000 2.230 456 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 456 E C 1.908 178.373 176.600 -0.225 0.000 0.987 456 E CA 1.554 57.917 56.400 -0.063 0.000 0.841 456 E CB 0.070 29.639 29.700 -0.218 0.000 0.783 456 E HN 0.661 nan 8.360 nan 0.000 0.481 457 T N -3.999 110.151 114.554 -0.674 0.000 2.999 457 T HA 0.270 4.620 4.350 -0.000 0.000 0.247 457 T C 1.587 175.548 174.700 -1.231 0.000 1.012 457 T CA 0.643 62.258 62.100 -0.809 0.000 1.048 457 T CB 0.424 68.629 68.868 -1.105 0.000 1.020 457 T HN 0.150 nan 8.240 nan 0.000 0.478 458 G N 2.342 110.075 108.800 -1.778 0.000 2.225 458 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.267 458 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.267 458 G C -0.216 174.135 174.900 -0.915 0.000 1.024 458 G CA 0.260 43.932 45.100 -2.380 0.000 0.784 458 G HN 0.772 nan 8.290 nan 0.000 0.507 459 D N 0.269 120.360 120.400 -0.515 0.000 2.349 459 D HA 0.381 5.021 4.640 -0.000 0.000 0.266 459 D C 1.527 177.880 176.300 0.088 0.000 1.293 459 D CA 0.482 54.403 54.000 -0.132 0.000 0.926 459 D CB 0.389 41.176 40.800 -0.021 0.000 1.090 459 D HN 0.069 nan 8.370 nan 0.000 0.502 460 S N 1.851 117.588 115.700 0.060 0.000 2.447 460 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 460 S C 1.986 176.619 174.600 0.055 0.000 1.006 460 S CA 0.953 59.205 58.200 0.085 0.000 0.957 460 S CB -0.102 63.140 63.200 0.070 0.000 0.773 460 S HN 0.692 nan 8.310 nan 0.000 0.507 461 S N 0.555 116.302 115.700 0.078 0.000 2.469 461 S HA 0.010 4.480 4.470 -0.000 0.000 0.238 461 S C 1.412 176.051 174.600 0.065 0.000 0.998 461 S CA 0.651 58.904 58.200 0.089 0.000 0.957 461 S CB -0.201 63.070 63.200 0.117 0.000 0.764 461 S HN 0.294 nan 8.310 nan 0.000 0.514 462 V N 0.601 120.531 119.914 0.027 0.000 3.660 462 V HA 0.250 4.370 4.120 -0.000 0.000 0.276 462 V C 2.257 178.235 176.094 -0.193 0.000 1.317 462 V CA 0.487 62.757 62.300 -0.049 0.000 1.097 462 V CB -0.041 31.801 31.823 0.032 0.000 0.863 462 V HN 0.429 nan 8.190 nan 0.000 0.438 463 K N 0.971 121.240 120.400 -0.217 0.000 2.032 463 K HA -0.205 4.115 4.320 -0.000 0.000 0.209 463 K C 1.957 178.491 176.600 -0.110 0.000 1.048 463 K CA 2.019 58.151 56.287 -0.258 0.000 0.927 463 K CB -0.045 32.389 32.500 -0.110 0.000 0.712 463 K HN 0.396 nan 8.250 nan 0.000 0.441 464 N N 0.704 119.381 118.700 -0.038 0.000 2.188 464 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 464 N C 1.671 177.161 175.510 -0.033 0.000 1.018 464 N CA 0.983 54.037 53.050 0.006 0.000 0.858 464 N CB -0.323 38.204 38.487 0.067 0.000 0.989 464 N HN 0.159 nan 8.380 nan 0.000 0.426 465 L N 1.161 122.328 121.223 -0.094 0.000 1.989 465 L HA -0.054 4.286 4.340 -0.000 0.000 0.211 465 L C 1.960 178.785 176.870 -0.075 0.000 1.071 465 L CA 1.435 56.191 54.840 -0.140 0.000 0.749 465 L CB -0.601 41.355 42.059 -0.172 0.000 0.890 465 L HN 0.069 nan 8.230 nan 0.000 0.431 466 I N -0.453 120.050 120.570 -0.112 0.000 2.142 466 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 466 I C 2.420 178.507 176.117 -0.051 0.000 1.078 466 I CA 1.184 62.426 61.300 -0.097 0.000 1.343 466 I CB -0.471 37.426 38.000 -0.171 0.000 1.046 466 I HN 0.234 nan 8.210 nan 0.000 0.405 467 K N 0.823 121.193 120.400 -0.050 0.000 2.057 467 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 467 K C 2.041 178.665 176.600 0.040 0.000 1.049 467 K CA 1.319 57.594 56.287 -0.019 0.000 0.931 467 K CB -0.447 32.086 32.500 0.055 0.000 0.714 467 K HN 0.321 nan 8.250 nan 0.000 0.440 468 K N -0.292 120.153 120.400 0.075 0.000 2.057 468 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 468 K C 2.034 178.744 176.600 0.185 0.000 1.050 468 K CA 1.159 57.512 56.287 0.110 0.000 0.935 468 K CB -0.180 32.376 32.500 0.093 0.000 0.715 468 K HN 0.191 nan 8.250 nan 0.000 0.439 469 W N 0.695 122.007 121.300 0.020 0.000 2.388 469 W HA -0.165 4.495 4.660 -0.000 0.000 0.294 469 W C 1.518 178.133 176.519 0.159 0.000 1.212 469 W CA 0.909 58.334 57.345 0.133 0.000 1.271 469 W CB -0.118 29.383 29.460 0.069 0.000 1.126 469 W HN -0.207 nan 8.180 nan 0.000 0.535 470 V N 1.131 121.171 119.914 0.209 0.000 2.295 470 V HA -0.326 3.794 4.120 -0.000 0.000 0.246 470 V C 2.060 178.105 176.094 -0.082 0.000 1.049 470 V CA 2.402 64.680 62.300 -0.038 0.000 1.024 470 V CB -0.984 30.689 31.823 -0.249 0.000 0.648 470 V HN 0.064 nan 8.190 nan 0.000 0.447 471 D N -1.156 119.244 120.400 0.000 0.000 2.116 471 D HA -0.242 4.398 4.640 -0.000 0.000 0.193 471 D C 1.658 177.975 176.300 0.028 0.000 0.998 471 D CA 1.607 55.621 54.000 0.023 0.000 0.836 471 D CB -0.348 40.490 40.800 0.063 0.000 0.951 471 D HN 0.637 nan 8.370 nan 0.000 0.449 472 W N 1.573 122.780 121.300 -0.155 0.000 2.332 472 W HA -0.222 4.437 4.660 -0.000 0.000 0.321 472 W C 2.262 178.631 176.519 -0.250 0.000 1.219 472 W CA 1.234 58.467 57.345 -0.187 0.000 1.277 472 W CB -0.787 28.549 29.460 -0.206 0.000 1.161 472 W HN -0.200 nan 8.180 nan 0.000 0.476 473 V N 1.272 120.853 119.914 -0.555 0.000 2.343 473 V HA -0.368 3.752 4.120 -0.000 0.000 0.247 473 V C 2.459 178.287 176.094 -0.443 0.000 1.051 473 V CA 2.237 64.095 62.300 -0.738 0.000 1.036 473 V CB -0.789 30.512 31.823 -0.870 0.000 0.654 473 V HN 0.182 nan 8.190 nan 0.000 0.451 474 M N 0.425 119.858 119.600 -0.277 0.000 2.202 474 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 474 M C 2.365 178.564 176.300 -0.169 0.000 1.063 474 M CA 2.199 57.398 55.300 -0.168 0.000 1.097 474 M CB -1.420 31.128 32.600 -0.087 0.000 1.382 474 M HN 0.645 nan 8.290 nan 0.000 0.413 475 S N -0.938 114.648 115.700 -0.189 0.000 2.562 475 S HA 0.009 4.478 4.470 -0.000 0.000 0.221 475 S C 1.419 175.901 174.600 -0.197 0.000 0.975 475 S CA 0.489 58.599 58.200 -0.150 0.000 0.918 475 S CB 0.003 63.151 63.200 -0.087 0.000 0.772 475 S HN 0.390 nan 8.310 nan 0.000 0.531 476 E N 0.458 120.476 120.200 -0.303 0.000 2.490 476 E HA 0.365 4.715 4.350 -0.000 0.000 0.209 476 E C 0.010 176.494 176.600 -0.193 0.000 0.971 476 E CA -0.109 56.120 56.400 -0.285 0.000 0.988 476 E CB 0.413 29.768 29.700 -0.574 0.000 1.029 476 E HN 0.579 nan 8.360 nan 0.000 0.496 477 I N 2.083 122.531 120.570 -0.204 0.000 2.496 477 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 477 I C 0.356 176.382 176.117 -0.151 0.000 1.080 477 I CA 0.157 61.379 61.300 -0.130 0.000 1.404 477 I CB 0.560 38.501 38.000 -0.097 0.000 1.403 477 I HN -0.414 nan 8.210 nan 0.000 0.539 478 K N 7.508 127.811 120.400 -0.162 0.000 2.263 478 K HA 0.536 4.856 4.320 -0.000 0.000 0.272 478 K C -1.114 175.279 176.600 -0.344 0.000 1.033 478 K CA -0.371 55.697 56.287 -0.365 0.000 0.884 478 K CB 1.079 33.260 32.500 -0.532 0.000 1.107 478 K HN 0.471 nan 8.250 nan 0.000 0.460 479 L N 4.777 125.794 121.223 -0.345 0.000 2.280 479 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 479 L C -0.682 176.027 176.870 -0.267 0.000 1.023 479 L CA -0.986 53.742 54.840 -0.187 0.000 0.819 479 L CB 0.304 42.317 42.059 -0.075 0.000 1.212 479 L HN 0.504 nan 8.230 nan 0.000 0.420 480 Y N 1.080 121.408 120.300 0.048 0.000 2.335 480 Y HA 0.117 4.667 4.550 -0.000 0.000 0.323 480 Y C 1.150 177.062 175.900 0.020 0.000 1.224 480 Y CA -0.522 57.590 58.100 0.020 0.000 1.241 480 Y CB 1.069 39.539 38.460 0.017 0.000 1.235 480 Y HN 0.522 nan 8.280 nan 0.000 0.492 481 D N 0.517 121.021 120.400 0.173 0.000 2.264 481 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 481 D C 1.187 177.533 176.300 0.076 0.000 0.966 481 D CA 1.267 55.319 54.000 0.086 0.000 0.864 481 D CB -0.195 40.639 40.800 0.056 0.000 0.933 481 D HN 0.673 nan 8.370 nan 0.000 0.499 482 D N -1.027 119.434 120.400 0.101 0.000 2.336 482 D HA 0.095 4.735 4.640 -0.000 0.000 0.229 482 D C 1.486 177.850 176.300 0.106 0.000 1.061 482 D CA 0.699 54.743 54.000 0.075 0.000 0.875 482 D CB -0.167 40.660 40.800 0.046 0.000 0.904 482 D HN 0.178 nan 8.370 nan 0.000 0.525 483 G N -0.086 108.793 108.800 0.130 0.000 2.175 483 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 483 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 483 G C 0.577 175.640 174.900 0.273 0.000 0.982 483 G CA 0.540 45.728 45.100 0.147 0.000 0.641 483 G HN 0.778 nan 8.290 nan 0.000 0.527 484 T N -0.958 113.770 114.554 0.291 0.000 2.732 484 T HA 0.729 5.079 4.350 -0.000 0.000 0.287 484 T C 0.106 175.143 174.700 0.562 0.000 0.993 484 T CA 0.282 62.603 62.100 0.368 0.000 0.966 484 T CB 1.717 70.676 68.868 0.152 0.000 1.047 484 T HN 1.618 nan 8.240 nan 0.000 0.527 485 F N -1.924 118.260 119.950 0.390 0.000 2.685 485 F HA 0.855 5.381 4.527 -0.000 0.000 0.315 485 F C -1.267 174.728 175.800 0.325 0.000 1.126 485 F CA -1.468 56.710 58.000 0.298 0.000 0.950 485 F CB 1.095 40.204 39.000 0.182 0.000 1.360 485 F HN 0.933 nan 8.300 nan 0.000 0.469 486 A N 2.073 124.973 122.820 0.135 0.000 2.574 486 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 486 A C -1.382 176.315 177.584 0.189 0.000 1.062 486 A CA -0.564 51.467 52.037 -0.010 0.000 0.686 486 A CB 1.437 20.487 19.000 0.084 0.000 1.285 486 A HN 1.379 nan 8.150 nan 0.000 0.403 487 I N -1.176 119.503 120.570 0.181 0.000 2.892 487 I HA 0.768 4.938 4.170 -0.000 0.000 0.306 487 I C -2.915 173.144 176.117 -0.096 0.000 1.078 487 I CA -3.155 58.183 61.300 0.064 0.000 1.032 487 I CB 2.249 40.310 38.000 0.101 0.000 1.229 487 I HN 0.247 nan 8.210 nan 0.000 0.435 488 P HA 0.062 nan 4.420 nan 0.000 0.267 488 P C 0.009 177.008 177.300 -0.502 0.000 1.200 488 P CA 0.061 62.639 63.100 -0.870 0.000 0.772 488 P CB 0.870 31.770 31.700 -1.334 0.000 0.855 489 S N 0.057 115.599 115.700 -0.262 0.000 2.930 489 S HA 0.169 4.639 4.470 -0.000 0.000 0.253 489 S C 0.117 174.810 174.600 0.154 0.000 1.083 489 S CA -0.101 58.126 58.200 0.044 0.000 0.836 489 S CB -0.020 63.240 63.200 0.100 0.000 0.814 489 S HN 0.273 nan 8.310 nan 0.000 0.467 490 D N 1.336 121.767 120.400 0.051 0.000 2.350 490 D HA 0.655 5.295 4.640 -0.000 0.000 0.245 490 D C -1.440 174.907 176.300 0.077 0.000 1.036 490 D CA -0.291 53.788 54.000 0.132 0.000 0.848 490 D CB 2.106 42.979 40.800 0.121 0.000 1.307 490 D HN 0.143 nan 8.370 nan 0.000 0.469 491 L N 1.131 122.465 121.223 0.185 0.000 2.370 491 L HA 0.401 4.741 4.340 -0.000 0.000 0.266 491 L C -0.112 176.800 176.870 0.070 0.000 1.002 491 L CA -0.634 54.268 54.840 0.103 0.000 0.818 491 L CB 1.834 44.060 42.059 0.277 0.000 1.325 491 L HN 0.396 nan 8.230 nan 0.000 0.418 492 E N 1.270 121.374 120.200 -0.161 0.000 2.248 492 E HA 0.512 4.862 4.350 -0.000 0.000 0.267 492 E C -1.938 174.483 176.600 -0.298 0.000 0.877 492 E CA -0.546 55.823 56.400 -0.051 0.000 0.759 492 E CB 1.313 31.016 29.700 0.005 0.000 1.182 492 E HN 0.457 nan 8.360 nan 0.000 0.418 493 W N 2.173 123.550 121.300 0.127 0.000 2.736 493 W HA 0.511 5.171 4.660 -0.000 0.000 0.335 493 W C -0.587 175.976 176.519 0.073 0.000 1.059 493 W CA -0.469 56.915 57.345 0.065 0.000 1.226 493 W CB 2.199 31.651 29.460 -0.014 0.000 1.416 493 W HN 0.496 nan 8.180 nan 0.000 0.505 494 S N 1.445 117.329 115.700 0.306 0.000 2.564 494 S HA 0.912 5.382 4.470 -0.000 0.000 0.274 494 S C -0.055 174.658 174.600 0.188 0.000 1.124 494 S CA -0.296 58.038 58.200 0.224 0.000 0.869 494 S CB 1.585 64.880 63.200 0.159 0.000 1.105 494 S HN 1.619 nan 8.310 nan 0.000 0.472 495 G N 1.223 110.107 108.800 0.139 0.000 2.584 495 G HA2 0.001 3.961 3.960 -0.000 0.000 0.229 495 G HA3 0.001 3.961 3.960 -0.000 0.000 0.229 495 G C -1.221 173.657 174.900 -0.037 0.000 1.320 495 G CA -0.324 44.812 45.100 0.059 0.000 0.891 495 G HN 0.984 nan 8.290 nan 0.000 0.573 496 Q N 0.221 119.905 119.800 -0.194 0.000 2.416 496 Q HA 0.516 4.856 4.340 -0.000 0.000 0.281 496 Q C -2.541 173.151 176.000 -0.513 0.000 1.067 496 Q CA -1.675 53.834 55.803 -0.489 0.000 0.809 496 Q CB 3.388 31.988 28.738 -0.230 0.000 1.418 496 Q HN 0.573 nan 8.270 nan 0.000 0.411 497 P HA 0.015 nan 4.420 nan 0.000 0.273 497 P C -0.870 176.322 177.300 -0.180 0.000 1.250 497 P CA -0.204 62.582 63.100 -0.522 0.000 0.793 497 P CB 0.635 31.749 31.700 -0.976 0.000 1.011 498 D N 0.193 120.586 120.400 -0.012 0.000 2.382 498 D HA 0.064 4.703 4.640 -0.000 0.000 0.245 498 D C 0.279 176.804 176.300 0.375 0.000 1.120 498 D CA 0.416 54.486 54.000 0.116 0.000 0.890 498 D CB -0.020 40.817 40.800 0.061 0.000 1.201 498 D HN 0.221 nan 8.370 nan 0.000 0.433 499 T N 2.128 116.866 114.554 0.306 0.000 2.830 499 T HA -0.166 4.184 4.350 -0.000 0.000 0.282 499 T C 0.345 175.241 174.700 0.327 0.000 1.024 499 T CA 0.194 62.491 62.100 0.328 0.000 1.144 499 T CB 0.220 69.171 68.868 0.138 0.000 1.035 499 T HN 0.273 nan 8.240 nan 0.000 0.507 500 W N 3.059 124.358 121.300 -0.000 0.000 2.253 500 W HA 0.201 4.861 4.660 -0.000 0.000 0.322 500 W C 0.367 176.779 176.519 -0.180 0.000 1.342 500 W CA -0.250 57.042 57.345 -0.088 0.000 1.218 500 W CB 0.647 29.891 29.460 -0.360 0.000 1.205 500 W HN 0.585 nan 8.180 nan 0.000 0.551 501 T N 3.340 117.434 114.554 -0.768 0.000 3.262 501 T HA 0.203 4.553 4.350 -0.000 0.000 0.300 501 T C 0.818 174.990 174.700 -0.880 0.000 0.959 501 T CA 0.509 62.231 62.100 -0.629 0.000 0.936 501 T CB -0.287 68.372 68.868 -0.348 0.000 1.169 501 T HN 0.860 nan 8.240 nan 0.000 0.532 502 G N 1.338 109.083 108.800 -1.759 0.000 2.175 502 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 502 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 502 G C 0.175 174.552 174.900 -0.872 0.000 0.982 502 G CA 0.302 44.730 45.100 -1.120 0.000 0.641 502 G HN 0.584 nan 8.290 nan 0.000 0.527 503 T N -0.166 113.744 114.554 -1.074 0.000 2.952 503 T HA 0.487 4.837 4.350 -0.000 0.000 0.305 503 T C -0.995 173.575 174.700 -0.216 0.000 1.064 503 T CA -0.548 61.308 62.100 -0.407 0.000 1.008 503 T CB 2.166 70.911 68.868 -0.205 0.000 1.078 503 T HN 0.440 nan 8.240 nan 0.000 0.459 504 Y N 2.742 123.100 120.300 0.097 0.000 2.511 504 Y HA 0.275 4.825 4.550 -0.000 0.000 0.332 504 Y C 1.691 177.646 175.900 0.092 0.000 1.177 504 Y CA 0.020 58.273 58.100 0.256 0.000 1.422 504 Y CB 0.824 39.445 38.460 0.269 0.000 1.271 504 Y HN 0.792 nan 8.280 nan 0.000 0.550 505 T N 0.282 114.591 114.554 -0.408 0.000 3.001 505 T HA 0.314 4.664 4.350 -0.000 0.000 0.251 505 T C 1.321 175.666 174.700 -0.593 0.000 1.040 505 T CA 0.371 62.243 62.100 -0.379 0.000 0.985 505 T CB -0.103 68.640 68.868 -0.207 0.000 1.011 505 T HN 1.258 nan 8.240 nan 0.000 0.509 506 G N 2.161 110.167 108.800 -1.322 0.000 2.217 506 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.246 506 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.246 506 G C 0.239 174.842 174.900 -0.495 0.000 0.990 506 G CA -0.118 44.461 45.100 -0.870 0.000 0.627 506 G HN 0.582 nan 8.290 nan 0.000 0.522 507 N N -0.274 118.169 118.700 -0.428 0.000 2.678 507 N HA -0.155 4.585 4.740 -0.000 0.000 0.268 507 N C -0.824 174.541 175.510 -0.242 0.000 1.010 507 N CA 1.314 54.219 53.050 -0.242 0.000 0.784 507 N CB -0.423 37.959 38.487 -0.174 0.000 0.905 507 N HN 0.500 nan 8.380 nan 0.000 0.552 508 P HA -0.120 nan 4.420 nan 0.000 0.225 508 P C 0.342 177.518 177.300 -0.207 0.000 1.148 508 P CA 1.241 64.242 63.100 -0.164 0.000 0.779 508 P CB 0.181 31.827 31.700 -0.090 0.000 0.780 509 N N -1.038 117.540 118.700 -0.204 0.000 2.235 509 N HA 0.131 4.871 4.740 -0.000 0.000 0.209 509 N C -0.188 175.179 175.510 -0.239 0.000 1.122 509 N CA -0.303 52.662 53.050 -0.143 0.000 0.845 509 N CB 0.085 38.543 38.487 -0.049 0.000 1.004 509 N HN 0.041 nan 8.380 nan 0.000 0.499 510 L N 1.324 122.288 121.223 -0.432 0.000 2.305 510 L HA 0.375 4.715 4.340 -0.000 0.000 0.284 510 L C -1.143 175.471 176.870 -0.427 0.000 1.013 510 L CA -0.610 54.033 54.840 -0.327 0.000 0.819 510 L CB 0.359 42.225 42.059 -0.322 0.000 1.227 510 L HN 0.117 nan 8.230 nan 0.000 0.417 511 H N 3.751 122.832 119.070 0.019 0.000 2.690 511 H HA 0.612 5.168 4.556 -0.000 0.000 0.368 511 H C -1.149 174.097 175.328 -0.138 0.000 1.150 511 H CA -0.667 55.352 56.048 -0.047 0.000 1.174 511 H CB 2.633 32.366 29.762 -0.048 0.000 1.684 511 H HN 0.458 nan 8.280 nan 0.000 0.538 512 V N 2.946 122.706 119.914 -0.256 0.000 2.604 512 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 512 V C -0.691 175.214 176.094 -0.315 0.000 1.043 512 V CA -0.683 61.180 62.300 -0.728 0.000 0.888 512 V CB 2.286 33.287 31.823 -1.370 0.000 0.995 512 V HN 0.803 nan 8.190 nan 0.000 0.429 513 R N 4.514 124.841 120.500 -0.289 0.000 2.561 513 R HA 0.688 5.028 4.340 -0.000 0.000 0.297 513 R C -1.809 174.431 176.300 -0.100 0.000 0.969 513 R CA -0.591 55.446 56.100 -0.105 0.000 0.879 513 R CB 2.234 32.491 30.300 -0.071 0.000 1.178 513 R HN 0.582 nan 8.270 nan 0.000 0.445 514 V N 4.465 124.341 119.914 -0.063 0.000 2.405 514 V HA 0.072 4.192 4.120 -0.000 0.000 0.264 514 V C 1.312 177.306 176.094 -0.168 0.000 1.048 514 V CA 0.218 62.409 62.300 -0.182 0.000 0.966 514 V CB 0.985 32.576 31.823 -0.386 0.000 1.015 514 V HN 1.046 nan 8.190 nan 0.000 0.477 515 T N 0.234 114.711 114.554 -0.128 0.000 3.057 515 T HA 0.144 4.494 4.350 -0.000 0.000 0.254 515 T C 0.660 175.331 174.700 -0.047 0.000 1.094 515 T CA 0.484 62.554 62.100 -0.049 0.000 1.088 515 T CB 0.181 69.051 68.868 0.003 0.000 0.934 515 T HN 0.752 nan 8.240 nan 0.000 0.497 516 S N -0.469 115.133 115.700 -0.163 0.000 2.596 516 S HA 0.709 5.179 4.470 -0.000 0.000 0.270 516 S C -2.019 172.386 174.600 -0.325 0.000 1.155 516 S CA -1.085 57.061 58.200 -0.090 0.000 0.827 516 S CB 1.260 64.471 63.200 0.018 0.000 1.130 516 S HN 0.233 nan 8.310 nan 0.000 0.467 517 Y N -0.392 119.889 120.300 -0.031 0.000 2.536 517 Y HA 0.855 5.405 4.550 -0.000 0.000 0.347 517 Y C 0.872 176.750 175.900 -0.036 0.000 1.000 517 Y CA -0.054 58.010 58.100 -0.060 0.000 1.051 517 Y CB 2.461 40.881 38.460 -0.067 0.000 1.259 517 Y HN 1.227 nan 8.280 nan 0.000 0.468 518 G N -0.598 108.263 108.800 0.101 0.000 2.846 518 G HA2 0.404 4.364 3.960 -0.000 0.000 0.299 518 G HA3 0.404 4.364 3.960 -0.000 0.000 0.299 518 G C -0.780 174.079 174.900 -0.068 0.000 1.242 518 G CA -0.341 44.777 45.100 0.031 0.000 0.800 518 G HN 0.453 nan 8.290 nan 0.000 0.538 519 T N 0.021 114.510 114.554 -0.109 0.000 3.399 519 T HA 0.190 4.539 4.350 -0.000 0.000 0.305 519 T C -0.333 174.280 174.700 -0.145 0.000 0.983 519 T CA -0.073 61.845 62.100 -0.303 0.000 0.967 519 T CB -0.419 68.216 68.868 -0.389 0.000 1.186 519 T HN 0.451 nan 8.240 nan 0.000 0.504 520 D N 1.979 122.378 120.400 -0.002 0.000 2.570 520 D HA -0.027 4.613 4.640 -0.000 0.000 0.243 520 D C 1.292 177.537 176.300 -0.092 0.000 1.171 520 D CA 0.313 54.316 54.000 0.005 0.000 0.879 520 D CB 0.575 41.469 40.800 0.156 0.000 1.143 520 D HN 0.439 nan 8.370 nan 0.000 0.511 521 L N 3.741 124.785 121.223 -0.299 0.000 2.179 521 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 521 L C 2.508 179.156 176.870 -0.370 0.000 1.096 521 L CA 0.863 55.550 54.840 -0.255 0.000 0.779 521 L CB -0.281 41.670 42.059 -0.181 0.000 0.922 521 L HN 0.509 nan 8.230 nan 0.000 0.443 522 G N 0.022 108.203 108.800 -1.032 0.000 2.414 522 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.215 522 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.215 522 G C 1.570 176.579 174.900 0.182 0.000 1.188 522 G CA 0.886 45.614 45.100 -0.620 0.000 0.783 522 G HN 0.143 nan 8.290 nan 0.000 0.537 523 V N 1.730 121.759 119.914 0.192 0.000 2.392 523 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 523 V C 3.319 179.549 176.094 0.226 0.000 1.059 523 V CA 1.997 64.449 62.300 0.253 0.000 1.051 523 V CB -0.895 31.034 31.823 0.175 0.000 0.658 523 V HN 0.485 nan 8.190 nan 0.000 0.455 524 A N 0.556 123.466 122.820 0.151 0.000 1.902 524 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 524 A C 2.420 180.055 177.584 0.085 0.000 1.181 524 A CA 1.922 54.020 52.037 0.103 0.000 0.623 524 A CB -1.158 17.857 19.000 0.026 0.000 0.818 524 A HN 0.517 nan 8.150 nan 0.000 0.443 525 G N -0.943 107.919 108.800 0.103 0.000 2.433 525 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 525 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 525 G C 1.935 176.955 174.900 0.200 0.000 1.186 525 G CA 1.452 46.627 45.100 0.124 0.000 0.779 525 G HN 0.542 nan 8.290 nan 0.000 0.543 526 S N -0.011 115.886 115.700 0.329 0.000 2.365 526 S HA -0.165 4.305 4.470 -0.000 0.000 0.225 526 S C 2.364 177.170 174.600 0.342 0.000 1.039 526 S CA 1.680 60.134 58.200 0.422 0.000 1.033 526 S CB -0.364 63.228 63.200 0.654 0.000 0.887 526 S HN 0.234 nan 8.310 nan 0.000 0.447 527 L N 1.641 123.048 121.223 0.306 0.000 2.083 527 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 527 L C 2.451 179.469 176.870 0.247 0.000 1.083 527 L CA 2.092 57.120 54.840 0.314 0.000 0.752 527 L CB -1.177 41.056 42.059 0.291 0.000 0.899 527 L HN 0.341 nan 8.230 nan 0.000 0.433 528 A N -0.505 122.416 122.820 0.167 0.000 1.898 528 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 528 A C 2.228 179.892 177.584 0.133 0.000 1.181 528 A CA 1.659 53.760 52.037 0.106 0.000 0.620 528 A CB -0.912 18.112 19.000 0.041 0.000 0.819 528 A HN 0.612 nan 8.150 nan 0.000 0.442 529 N N 0.806 119.601 118.700 0.158 0.000 2.043 529 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 529 N C 1.892 177.532 175.510 0.217 0.000 1.037 529 N CA 2.181 55.333 53.050 0.169 0.000 0.851 529 N CB -0.572 38.024 38.487 0.182 0.000 1.027 529 N HN 0.349 nan 8.380 nan 0.000 0.422 530 A N 1.348 124.327 122.820 0.266 0.000 1.892 530 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 530 A C 2.648 180.433 177.584 0.334 0.000 1.188 530 A CA 1.490 53.701 52.037 0.290 0.000 0.631 530 A CB -0.978 18.234 19.000 0.353 0.000 0.822 530 A HN 0.395 nan 8.150 nan 0.000 0.447 531 L N -1.054 120.365 121.223 0.326 0.000 2.017 531 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 531 L C 3.133 180.183 176.870 0.300 0.000 1.073 531 L CA 1.129 56.164 54.840 0.326 0.000 0.745 531 L CB -0.565 41.624 42.059 0.217 0.000 0.894 531 L HN 0.454 nan 8.230 nan 0.000 0.432 532 A N -0.522 122.428 122.820 0.217 0.000 1.902 532 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 532 A C 2.360 180.105 177.584 0.269 0.000 1.181 532 A CA 2.277 54.457 52.037 0.238 0.000 0.623 532 A CB -0.908 18.216 19.000 0.207 0.000 0.818 532 A HN 0.387 nan 8.150 nan 0.000 0.443 533 T N -1.287 113.388 114.554 0.202 0.000 2.708 533 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 533 T C 1.802 176.570 174.700 0.114 0.000 1.037 533 T CA 1.699 63.848 62.100 0.082 0.000 1.146 533 T CB -0.509 68.419 68.868 0.099 0.000 0.865 533 T HN 0.603 nan 8.240 nan 0.000 0.435 534 Y N 2.509 122.894 120.300 0.142 0.000 2.081 534 Y HA -0.159 4.391 4.550 -0.000 0.000 0.280 534 Y C 2.527 178.546 175.900 0.198 0.000 1.163 534 Y CA 1.117 59.333 58.100 0.194 0.000 1.135 534 Y CB -0.977 37.612 38.460 0.215 0.000 0.970 534 Y HN 0.169 nan 8.280 nan 0.000 0.498 535 A N 0.997 123.757 122.820 -0.101 0.000 1.883 535 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 535 A C 2.501 180.097 177.584 0.019 0.000 1.186 535 A CA 2.465 54.429 52.037 -0.121 0.000 0.624 535 A CB -1.682 17.374 19.000 0.094 0.000 0.822 535 A HN 0.736 nan 8.150 nan 0.000 0.444 536 A N -0.239 122.627 122.820 0.076 0.000 1.908 536 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 536 A C 2.521 179.982 177.584 -0.206 0.000 1.181 536 A CA 2.310 54.248 52.037 -0.166 0.000 0.627 536 A CB -1.065 17.596 19.000 -0.565 0.000 0.818 536 A HN 1.148 nan 8.150 nan 0.000 0.445 537 A N -0.245 122.484 122.820 -0.151 0.000 1.902 537 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 537 A C 2.463 180.037 177.584 -0.017 0.000 1.181 537 A CA 2.655 54.656 52.037 -0.059 0.000 0.623 537 A CB -1.472 17.576 19.000 0.080 0.000 0.818 537 A HN 0.813 nan 8.150 nan 0.000 0.443 538 T N -2.199 112.305 114.554 -0.084 0.000 2.821 538 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 538 T C 1.737 176.424 174.700 -0.021 0.000 1.046 538 T CA 1.553 63.638 62.100 -0.025 0.000 1.139 538 T CB -0.336 68.443 68.868 -0.147 0.000 0.871 538 T HN 0.613 nan 8.240 nan 0.000 0.454 539 E N 0.992 121.157 120.200 -0.059 0.000 2.072 539 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 539 E C 2.535 179.042 176.600 -0.156 0.000 0.985 539 E CA 0.675 57.037 56.400 -0.063 0.000 0.801 539 E CB -0.097 29.584 29.700 -0.032 0.000 0.750 539 E HN 0.547 nan 8.360 nan 0.000 0.452 540 R N -0.756 119.576 120.500 -0.281 0.000 2.066 540 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 540 R C 1.448 177.360 176.300 -0.647 0.000 1.131 540 R CA 1.989 57.749 56.100 -0.566 0.000 0.955 540 R CB -0.134 29.668 30.300 -0.831 0.000 0.851 540 R HN 0.243 nan 8.270 nan 0.000 0.432 541 W N -0.775 120.444 121.300 -0.135 0.000 2.842 541 W HA 0.250 4.910 4.660 -0.000 0.000 0.267 541 W C 1.502 178.004 176.519 -0.028 0.000 1.219 541 W CA -0.295 56.982 57.345 -0.113 0.000 1.458 541 W CB 0.594 29.918 29.460 -0.226 0.000 1.006 541 W HN 0.079 nan 8.180 nan 0.000 0.603 542 E N -0.180 120.133 120.200 0.187 0.000 2.481 542 E HA 0.178 4.528 4.350 -0.000 0.000 0.198 542 E C 1.593 178.252 176.600 0.098 0.000 1.027 542 E CA 0.456 56.956 56.400 0.166 0.000 0.900 542 E CB 0.379 30.188 29.700 0.182 0.000 0.993 542 E HN 0.201 nan 8.360 nan 0.000 0.482 543 G N 2.598 111.430 108.800 0.054 0.000 2.153 543 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 543 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 543 G C 0.204 175.124 174.900 0.033 0.000 0.994 543 G CA 0.864 45.983 45.100 0.032 0.000 0.698 543 G HN 0.205 nan 8.290 nan 0.000 0.521 544 K N -0.407 120.015 120.400 0.037 0.000 2.636 544 K HA 0.393 4.713 4.320 -0.000 0.000 0.286 544 K C -0.366 176.256 176.600 0.036 0.000 1.100 544 K CA -1.031 55.280 56.287 0.040 0.000 0.991 544 K CB 0.581 33.113 32.500 0.053 0.000 1.323 544 K HN 0.470 nan 8.250 nan 0.000 0.478 545 L N 3.858 125.103 121.223 0.036 0.000 2.534 545 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 545 L C -0.170 176.719 176.870 0.032 0.000 1.178 545 L CA 0.665 55.531 54.840 0.044 0.000 0.907 545 L CB 0.522 42.634 42.059 0.088 0.000 1.164 545 L HN 0.571 nan 8.230 nan 0.000 0.482 546 D N 3.629 124.031 120.400 0.003 0.000 2.359 546 D HA 0.003 4.643 4.640 -0.000 0.000 0.250 546 D C 0.808 177.119 176.300 0.019 0.000 1.264 546 D CA 0.246 54.267 54.000 0.035 0.000 0.911 546 D CB 1.086 41.925 40.800 0.065 0.000 1.056 546 D HN 0.777 nan 8.370 nan 0.000 0.499 547 T N 3.235 117.797 114.554 0.014 0.000 2.857 547 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 547 T C 1.753 176.434 174.700 -0.032 0.000 1.048 547 T CA 0.974 63.058 62.100 -0.026 0.000 1.139 547 T CB 0.251 69.113 68.868 -0.009 0.000 0.874 547 T HN 0.383 nan 8.240 nan 0.000 0.455 548 K N 0.971 121.378 120.400 0.011 0.000 2.097 548 K HA 0.069 4.388 4.320 -0.000 0.000 0.205 548 K C 2.532 179.147 176.600 0.024 0.000 1.050 548 K CA 1.112 57.407 56.287 0.013 0.000 0.938 548 K CB -0.183 32.336 32.500 0.031 0.000 0.718 548 K HN 0.234 nan 8.250 nan 0.000 0.442 549 A N 1.693 124.564 122.820 0.084 0.000 1.877 549 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 549 A C 2.120 179.719 177.584 0.025 0.000 1.186 549 A CA 1.450 53.567 52.037 0.134 0.000 0.620 549 A CB -0.509 18.710 19.000 0.365 0.000 0.822 549 A HN 0.229 nan 8.150 nan 0.000 0.443 550 R N -0.253 120.192 120.500 -0.092 0.000 2.097 550 R HA -0.216 4.123 4.340 -0.000 0.000 0.236 550 R C 1.502 177.660 176.300 -0.236 0.000 1.135 550 R CA 2.235 58.143 56.100 -0.321 0.000 0.934 550 R CB -0.523 29.408 30.300 -0.615 0.000 0.846 550 R HN 0.450 nan 8.270 nan 0.000 0.431 551 D N 0.255 120.559 120.400 -0.159 0.000 2.117 551 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 551 D C 1.805 178.062 176.300 -0.073 0.000 0.987 551 D CA 1.280 55.215 54.000 -0.108 0.000 0.829 551 D CB -0.258 40.498 40.800 -0.073 0.000 0.961 551 D HN 0.218 nan 8.370 nan 0.000 0.460 552 M N 1.146 120.715 119.600 -0.051 0.000 2.117 552 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 552 M C 1.907 178.185 176.300 -0.037 0.000 1.065 552 M CA 1.389 56.668 55.300 -0.035 0.000 1.114 552 M CB -0.446 32.144 32.600 -0.017 0.000 1.361 552 M HN -0.021 nan 8.290 nan 0.000 0.408 553 A N -0.187 122.611 122.820 -0.036 0.000 1.883 553 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 553 A C 2.399 179.931 177.584 -0.086 0.000 1.186 553 A CA 2.282 54.296 52.037 -0.039 0.000 0.624 553 A CB -1.524 17.461 19.000 -0.024 0.000 0.822 553 A HN 0.666 nan 8.150 nan 0.000 0.444 554 A N -0.619 122.131 122.820 -0.117 0.000 1.933 554 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 554 A C 1.950 179.546 177.584 0.020 0.000 1.175 554 A CA 1.680 53.666 52.037 -0.085 0.000 0.628 554 A CB -0.409 18.570 19.000 -0.035 0.000 0.814 554 A HN 0.492 nan 8.150 nan 0.000 0.444 555 E N 0.023 120.214 120.200 -0.015 0.000 2.072 555 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 555 E C 2.062 178.636 176.600 -0.044 0.000 0.985 555 E CA 0.985 57.376 56.400 -0.014 0.000 0.801 555 E CB -0.399 29.284 29.700 -0.028 0.000 0.750 555 E HN 0.687 nan 8.360 nan 0.000 0.452 556 L N 0.315 121.483 121.223 -0.093 0.000 2.027 556 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 556 L C 2.586 179.370 176.870 -0.143 0.000 1.074 556 L CA 0.762 55.468 54.840 -0.223 0.000 0.745 556 L CB -0.548 41.405 42.059 -0.176 0.000 0.898 556 L HN -0.027 nan 8.230 nan 0.000 0.433 557 V N 0.128 120.039 119.914 -0.004 0.000 2.261 557 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 557 V C 2.257 178.537 176.094 0.309 0.000 1.047 557 V CA 2.001 64.377 62.300 0.126 0.000 1.015 557 V CB -0.746 31.138 31.823 0.101 0.000 0.642 557 V HN 0.471 nan 8.190 nan 0.000 0.446 558 N N 0.397 119.303 118.700 0.343 0.000 2.094 558 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 558 N C 1.951 177.746 175.510 0.474 0.000 1.023 558 N CA 1.592 54.923 53.050 0.468 0.000 0.857 558 N CB -0.382 38.182 38.487 0.129 0.000 1.013 558 N HN 0.498 nan 8.380 nan 0.000 0.426 559 R N 0.152 120.817 120.500 0.275 0.000 2.161 559 R HA 0.207 4.547 4.340 -0.000 0.000 0.213 559 R C 2.111 178.687 176.300 0.459 0.000 1.055 559 R CA 0.841 57.147 56.100 0.343 0.000 0.996 559 R CB -0.087 30.358 30.300 0.243 0.000 0.901 559 R HN 0.169 nan 8.270 nan 0.000 0.456 560 A N 0.909 123.887 122.820 0.263 0.000 1.897 560 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 560 A C 1.811 179.747 177.584 0.587 0.000 1.181 560 A CA 0.722 52.995 52.037 0.393 0.000 0.620 560 A CB -0.735 18.339 19.000 0.124 0.000 0.821 560 A HN 0.583 nan 8.150 nan 0.000 0.443 561 W N -0.823 120.689 121.300 0.353 0.000 2.409 561 W HA -0.188 4.472 4.660 -0.000 0.000 0.299 561 W C 1.985 178.750 176.519 0.410 0.000 1.203 561 W CA 1.717 59.271 57.345 0.348 0.000 1.298 561 W CB -0.417 29.213 29.460 0.284 0.000 1.127 561 W HN 0.468 nan 8.180 nan 0.000 0.528 562 Y N 2.581 123.114 120.300 0.388 0.000 2.070 562 Y HA -0.269 4.281 4.550 -0.000 0.000 0.280 562 Y C 2.304 178.238 175.900 0.056 0.000 1.148 562 Y CA 2.639 60.860 58.100 0.202 0.000 1.125 562 Y CB -1.004 37.635 38.460 0.299 0.000 0.975 562 Y HN -0.109 nan 8.280 nan 0.000 0.492 563 N N -0.936 117.824 118.700 0.100 0.000 2.494 563 N HA -0.086 4.654 4.740 -0.000 0.000 0.182 563 N C 0.131 175.228 175.510 -0.688 0.000 1.076 563 N CA 0.984 53.834 53.050 -0.334 0.000 0.908 563 N CB -0.088 38.266 38.487 -0.221 0.000 0.967 563 N HN 0.364 nan 8.380 nan 0.000 0.449 564 F N -0.764 119.187 119.950 0.002 0.000 2.791 564 F HA 0.213 4.740 4.527 -0.000 0.000 0.316 564 F C 0.101 175.840 175.800 -0.102 0.000 1.134 564 F CA -0.971 57.018 58.000 -0.019 0.000 1.222 564 F CB -0.293 38.746 39.000 0.066 0.000 1.034 564 F HN -0.131 nan 8.300 nan 0.000 0.516 565 Y N 1.238 121.370 120.300 -0.280 0.000 2.610 565 Y HA 0.102 4.652 4.550 -0.000 0.000 0.332 565 Y C 0.357 176.113 175.900 -0.240 0.000 1.201 565 Y CA -0.480 57.345 58.100 -0.460 0.000 1.465 565 Y CB 0.541 38.620 38.460 -0.635 0.000 1.283 565 Y HN 0.169 nan 8.280 nan 0.000 0.563 566 C N 7.053 126.021 119.300 -0.553 0.000 2.246 566 C HA 0.238 4.697 4.460 -0.000 0.000 0.329 566 C C 1.674 176.494 174.990 -0.284 0.000 1.221 566 C CA 0.279 59.136 59.018 -0.268 0.000 1.697 566 C CB -0.945 26.737 27.740 -0.096 0.000 2.312 566 C HN 1.095 nan 8.230 nan 0.000 0.509 567 S N 3.430 119.121 115.700 -0.015 0.000 2.370 567 S HA -0.140 4.330 4.470 -0.000 0.000 0.226 567 S C 1.845 176.463 174.600 0.030 0.000 1.033 567 S CA 2.359 60.612 58.200 0.088 0.000 1.011 567 S CB -0.178 63.060 63.200 0.064 0.000 0.852 567 S HN 1.054 nan 8.310 nan 0.000 0.457 568 E N 0.087 120.282 120.200 -0.009 0.000 2.520 568 E HA 0.283 4.633 4.350 -0.000 0.000 0.201 568 E C 1.348 177.922 176.600 -0.043 0.000 1.122 568 E CA 0.936 57.324 56.400 -0.019 0.000 0.896 568 E CB -1.837 27.849 29.700 -0.024 0.000 0.891 568 E HN 1.324 nan 8.360 nan 0.000 0.533 569 G N 0.314 109.068 108.800 -0.076 0.000 2.147 569 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 569 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 569 G C 0.923 175.784 174.900 -0.065 0.000 1.005 569 G CA 0.535 45.589 45.100 -0.076 0.000 0.713 569 G HN 0.539 nan 8.290 nan 0.000 0.515 570 K N -0.106 120.246 120.400 -0.079 0.000 2.387 570 K HA 0.439 4.759 4.320 -0.000 0.000 0.198 570 K C 1.770 178.462 176.600 0.153 0.000 1.022 570 K CA 0.502 56.786 56.287 -0.004 0.000 1.128 570 K CB 0.586 32.952 32.500 -0.224 0.000 0.853 570 K HN 1.246 nan 8.250 nan 0.000 0.523 571 G N 1.167 109.975 108.800 0.014 0.000 3.050 571 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 571 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 571 G C -0.440 174.422 174.900 -0.064 0.000 1.521 571 G CA -0.281 44.867 45.100 0.079 0.000 1.090 571 G HN 0.168 nan 8.290 nan 0.000 0.556 572 V N -1.592 118.384 119.914 0.104 0.000 2.864 572 V HA 0.923 5.043 4.120 -0.000 0.000 0.314 572 V C -0.096 176.009 176.094 0.019 0.000 1.073 572 V CA -0.412 61.920 62.300 0.054 0.000 0.956 572 V CB 1.573 33.495 31.823 0.165 0.000 1.023 572 V HN 1.843 nan 8.190 nan 0.000 0.435 573 V N 1.714 121.606 119.914 -0.036 0.000 2.760 573 V HA 0.597 4.717 4.120 -0.000 0.000 0.309 573 V C 0.062 176.156 176.094 -0.001 0.000 1.077 573 V CA 0.098 62.258 62.300 -0.234 0.000 0.910 573 V CB 2.364 33.954 31.823 -0.388 0.000 1.008 573 V HN 1.214 nan 8.190 nan 0.000 0.424 574 T N 4.744 119.251 114.554 -0.079 0.000 2.910 574 T HA 0.341 4.690 4.350 -0.000 0.000 0.293 574 T C -0.442 174.273 174.700 0.025 0.000 1.015 574 T CA 0.037 62.130 62.100 -0.013 0.000 1.094 574 T CB 0.631 69.501 68.868 0.003 0.000 0.968 574 T HN 0.822 nan 8.240 nan 0.000 0.521 575 E N 2.723 122.997 120.200 0.124 0.000 2.155 575 E HA 0.348 4.698 4.350 -0.000 0.000 0.264 575 E C -0.836 175.778 176.600 0.023 0.000 0.886 575 E CA -0.581 55.848 56.400 0.048 0.000 0.752 575 E CB 0.625 30.370 29.700 0.074 0.000 1.133 575 E HN 0.724 nan 8.360 nan 0.000 0.414 576 E N 2.465 122.644 120.200 -0.036 0.000 2.308 576 E HA 0.625 4.974 4.350 -0.000 0.000 0.275 576 E C -1.409 175.154 176.600 -0.063 0.000 0.890 576 E CA -1.265 55.123 56.400 -0.021 0.000 0.754 576 E CB 1.619 31.335 29.700 0.027 0.000 1.207 576 E HN 0.351 nan 8.360 nan 0.000 0.426 577 A N 3.385 126.178 122.820 -0.045 0.000 2.354 577 A HA 0.375 4.695 4.320 -0.000 0.000 0.281 577 A C -0.215 177.311 177.584 -0.096 0.000 1.174 577 A CA -0.749 51.250 52.037 -0.063 0.000 0.828 577 A CB 0.170 19.152 19.000 -0.031 0.000 1.099 577 A HN 0.467 nan 8.150 nan 0.000 0.516 578 R N 3.036 123.424 120.500 -0.187 0.000 3.050 578 R HA 0.335 4.675 4.340 -0.000 0.000 0.275 578 R C 1.041 177.248 176.300 -0.155 0.000 1.373 578 R CA 0.266 56.170 56.100 -0.327 0.000 1.612 578 R CB 0.137 29.830 30.300 -1.011 0.000 1.218 578 R HN 0.814 nan 8.270 nan 0.000 0.621 579 A N 1.479 124.275 122.820 -0.041 0.000 2.019 579 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 579 A C 1.535 179.140 177.584 0.035 0.000 1.164 579 A CA 1.609 53.654 52.037 0.014 0.000 0.644 579 A CB -0.082 18.929 19.000 0.018 0.000 0.805 579 A HN 0.531 nan 8.150 nan 0.000 0.449 580 D N -1.446 118.988 120.400 0.056 0.000 2.264 580 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 580 D C 1.187 177.459 176.300 -0.047 0.000 0.966 580 D CA 0.765 54.785 54.000 0.033 0.000 0.864 580 D CB -0.643 40.287 40.800 0.217 0.000 0.933 580 D HN 0.464 nan 8.370 nan 0.000 0.499 581 Y N 2.050 122.344 120.300 -0.010 0.000 2.569 581 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 581 Y C 2.197 178.078 175.900 -0.032 0.000 1.144 581 Y CA 0.259 58.410 58.100 0.086 0.000 1.321 581 Y CB -0.641 38.001 38.460 0.303 0.000 0.982 581 Y HN 0.249 nan 8.280 nan 0.000 0.558 582 K N 0.272 120.730 120.400 0.096 0.000 2.360 582 K HA -0.151 4.169 4.320 -0.000 0.000 0.201 582 K C 1.617 178.121 176.600 -0.160 0.000 1.046 582 K CA 1.269 57.637 56.287 0.134 0.000 0.945 582 K CB -0.261 32.373 32.500 0.223 0.000 0.750 582 K HN 0.207 nan 8.250 nan 0.000 0.464 583 R N -0.363 119.773 120.500 -0.606 0.000 2.236 583 R HA 0.055 4.395 4.340 -0.000 0.000 0.208 583 R C 1.607 177.460 176.300 -0.744 0.000 1.036 583 R CA 0.540 56.109 56.100 -0.885 0.000 1.001 583 R CB -0.297 28.997 30.300 -1.677 0.000 0.896 583 R HN 0.140 nan 8.270 nan 0.000 0.464 584 F N 0.176 119.600 119.950 -0.876 0.000 2.087 584 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 584 F C 1.495 176.971 175.800 -0.540 0.000 1.100 584 F CA 1.888 59.493 58.000 -0.657 0.000 1.226 584 F CB -0.091 38.102 39.000 -1.344 0.000 0.983 584 F HN -0.040 nan 8.300 nan 0.000 0.479 585 F N -1.969 117.986 119.950 0.008 0.000 2.653 585 F HA 0.118 4.645 4.527 -0.000 0.000 0.288 585 F C 2.003 177.760 175.800 -0.071 0.000 1.121 585 F CA 0.147 58.076 58.000 -0.118 0.000 1.384 585 F CB -0.355 38.281 39.000 -0.606 0.000 1.115 585 F HN -0.183 nan 8.300 nan 0.000 0.599 586 E N -0.017 120.213 120.200 0.050 0.000 2.340 586 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 586 E C 0.671 177.315 176.600 0.073 0.000 0.996 586 E CA -0.004 56.454 56.400 0.096 0.000 0.869 586 E CB 0.130 29.894 29.700 0.106 0.000 0.835 586 E HN 0.087 nan 8.360 nan 0.000 0.493 587 Q N 2.276 122.097 119.800 0.034 0.000 2.307 587 Q HA 0.019 4.359 4.340 -0.000 0.000 0.261 587 Q C -0.824 175.268 176.000 0.153 0.000 1.051 587 Q CA 0.141 55.989 55.803 0.075 0.000 0.911 587 Q CB 0.667 29.440 28.738 0.058 0.000 1.227 587 Q HN -0.026 nan 8.270 nan 0.000 0.418 588 E N 2.863 123.147 120.200 0.141 0.000 2.290 588 E HA 0.218 4.568 4.350 -0.000 0.000 0.277 588 E C -1.094 175.614 176.600 0.179 0.000 1.035 588 E CA -0.459 56.032 56.400 0.152 0.000 0.873 588 E CB 0.636 30.417 29.700 0.134 0.000 1.029 588 E HN 0.457 nan 8.360 nan 0.000 0.419 589 V N 6.145 126.166 119.914 0.178 0.000 2.406 589 V HA 0.046 4.166 4.120 -0.000 0.000 0.272 589 V C -0.176 176.013 176.094 0.158 0.000 1.043 589 V CA -0.606 61.803 62.300 0.182 0.000 0.915 589 V CB 0.097 32.014 31.823 0.157 0.000 0.988 589 V HN 0.624 nan 8.190 nan 0.000 0.466 590 Y N 5.650 125.992 120.300 0.071 0.000 2.511 590 Y HA 0.425 4.975 4.550 -0.000 0.000 0.332 590 Y C -0.134 175.759 175.900 -0.013 0.000 1.177 590 Y CA 0.271 58.395 58.100 0.040 0.000 1.422 590 Y CB 0.829 39.320 38.460 0.052 0.000 1.271 590 Y HN 0.415 nan 8.280 nan 0.000 0.550 591 V N 8.198 127.576 119.914 -0.893 0.000 2.686 591 V HA 0.350 4.470 4.120 -0.000 0.000 0.306 591 V C -2.332 173.140 176.094 -1.036 0.000 1.065 591 V CA -2.168 59.676 62.300 -0.761 0.000 0.894 591 V CB 1.886 33.519 31.823 -0.316 0.000 1.004 591 V HN 0.710 nan 8.190 nan 0.000 0.424 592 P HA 0.193 nan 4.420 nan 0.000 0.268 592 P C -0.281 176.942 177.300 -0.129 0.000 1.205 592 P CA 0.056 62.976 63.100 -0.300 0.000 0.771 592 P CB 0.473 32.134 31.700 -0.064 0.000 0.858 593 A N 2.917 125.705 122.820 -0.052 0.000 2.524 593 A HA 0.414 4.734 4.320 -0.000 0.000 0.250 593 A C 1.531 179.132 177.584 0.029 0.000 1.078 593 A CA 0.736 52.768 52.037 -0.008 0.000 0.761 593 A CB -1.411 17.597 19.000 0.013 0.000 1.012 593 A HN 0.893 nan 8.150 nan 0.000 0.500 594 G N 0.857 109.672 108.800 0.025 0.000 2.176 594 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 594 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 594 G C 0.021 174.939 174.900 0.031 0.000 0.979 594 G CA 0.418 45.527 45.100 0.016 0.000 0.641 594 G HN 1.232 nan 8.290 nan 0.000 0.530 595 W N 2.123 123.350 121.300 -0.121 0.000 2.365 595 W HA 0.634 5.293 4.660 -0.000 0.000 0.316 595 W C 0.577 177.006 176.519 -0.150 0.000 1.164 595 W CA 0.232 57.488 57.345 -0.149 0.000 1.204 595 W CB 1.378 30.730 29.460 -0.180 0.000 1.213 595 W HN 0.682 nan 8.180 nan 0.000 0.539 596 S N 4.279 119.616 115.700 -0.604 0.000 2.556 596 S HA 0.956 5.426 4.470 -0.000 0.000 0.271 596 S C -0.602 173.356 174.600 -1.070 0.000 1.135 596 S CA -0.428 57.462 58.200 -0.516 0.000 0.858 596 S CB 1.759 64.801 63.200 -0.262 0.000 1.114 596 S HN 1.098 nan 8.310 nan 0.000 0.468 597 G N 0.407 108.847 108.800 -0.600 0.000 2.489 597 G HA2 0.712 4.672 3.960 -0.000 0.000 0.305 597 G HA3 0.712 4.672 3.960 -0.000 0.000 0.305 597 G C -1.181 173.639 174.900 -0.133 0.000 1.311 597 G CA -0.082 44.727 45.100 -0.485 0.000 0.813 597 G HN 1.506 nan 8.290 nan 0.000 0.480 598 T N -1.778 112.740 114.554 -0.059 0.000 2.909 598 T HA 0.654 5.004 4.350 -0.000 0.000 0.299 598 T C -0.124 174.645 174.700 0.115 0.000 1.073 598 T CA -0.909 61.207 62.100 0.028 0.000 0.999 598 T CB 1.840 70.711 68.868 0.005 0.000 1.098 598 T HN 0.456 nan 8.240 nan 0.000 0.477 599 M N 2.287 121.933 119.600 0.077 0.000 2.233 599 M HA 0.266 4.746 4.480 -0.000 0.000 0.350 599 M C -1.635 174.546 176.300 -0.198 0.000 1.176 599 M CA -2.732 52.571 55.300 0.005 0.000 1.150 599 M CB 0.477 33.040 32.600 -0.063 0.000 1.530 599 M HN 0.409 nan 8.290 nan 0.000 0.459 600 P HA -0.205 nan 4.420 nan 0.000 0.218 600 P C 0.791 177.852 177.300 -0.398 0.000 1.147 600 P CA 1.482 64.142 63.100 -0.732 0.000 0.827 600 P CB -0.105 30.889 31.700 -1.177 0.000 0.778 601 N N -1.639 116.840 118.700 -0.368 0.000 2.461 601 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 601 N C 1.279 176.681 175.510 -0.180 0.000 1.134 601 N CA 1.147 54.028 53.050 -0.282 0.000 0.878 601 N CB -0.624 37.655 38.487 -0.347 0.000 0.972 601 N HN 0.237 nan 8.380 nan 0.000 0.456 602 G N -0.379 108.337 108.800 -0.140 0.000 2.259 602 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 602 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 602 G C -0.589 174.269 174.900 -0.071 0.000 1.001 602 G CA -0.039 45.010 45.100 -0.084 0.000 0.627 602 G HN 0.416 nan 8.290 nan 0.000 0.501 603 D N 1.821 122.165 120.400 -0.092 0.000 2.586 603 D HA 0.211 4.851 4.640 -0.000 0.000 0.234 603 D C 0.694 176.985 176.300 -0.015 0.000 1.132 603 D CA 0.786 54.751 54.000 -0.059 0.000 0.860 603 D CB 0.598 41.351 40.800 -0.078 0.000 1.159 603 D HN 0.365 nan 8.370 nan 0.000 0.490 604 K N 2.476 122.873 120.400 -0.004 0.000 2.258 604 K HA 0.322 4.642 4.320 -0.000 0.000 0.284 604 K C -0.012 176.616 176.600 0.047 0.000 1.051 604 K CA -0.464 55.828 56.287 0.010 0.000 0.923 604 K CB 0.852 33.351 32.500 -0.002 0.000 1.046 604 K HN 0.325 nan 8.250 nan 0.000 0.474 605 I N 5.189 125.811 120.570 0.087 0.000 2.306 605 I HA 0.110 4.280 4.170 -0.000 0.000 0.288 605 I C -0.042 176.189 176.117 0.190 0.000 1.036 605 I CA -0.174 61.226 61.300 0.167 0.000 1.221 605 I CB 0.669 38.852 38.000 0.306 0.000 1.385 605 I HN 0.568 nan 8.210 nan 0.000 0.472 606 Q N 6.382 126.248 119.800 0.110 0.000 2.522 606 Q HA 0.538 4.878 4.340 -0.000 0.000 0.285 606 Q C -3.037 172.976 176.000 0.021 0.000 0.982 606 Q CA -2.207 53.642 55.803 0.077 0.000 0.805 606 Q CB 1.994 30.754 28.738 0.036 0.000 1.457 606 Q HN 0.104 nan 8.270 nan 0.000 0.394 607 P HA 0.018 nan 4.420 nan 0.000 0.263 607 P C 0.581 177.880 177.300 -0.002 0.000 1.175 607 P CA 2.413 65.484 63.100 -0.049 0.000 0.761 607 P CB 0.181 31.853 31.700 -0.048 0.000 0.794 608 G N 2.128 110.935 108.800 0.013 0.000 2.176 608 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 608 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 608 G C 0.268 175.207 174.900 0.065 0.000 0.979 608 G CA 0.111 45.239 45.100 0.047 0.000 0.641 608 G HN 0.672 nan 8.290 nan 0.000 0.530 609 I N -1.404 119.202 120.570 0.059 0.000 2.836 609 I HA 0.586 4.756 4.170 -0.000 0.000 0.285 609 I C 0.455 176.640 176.117 0.114 0.000 1.174 609 I CA -0.361 60.987 61.300 0.080 0.000 1.405 609 I CB 0.517 38.558 38.000 0.068 0.000 1.385 609 I HN -0.166 nan 8.210 nan 0.000 0.594 610 K N 3.442 123.924 120.400 0.137 0.000 2.185 610 K HA 0.250 4.570 4.320 -0.000 0.000 0.240 610 K C 0.356 177.087 176.600 0.219 0.000 0.983 610 K CA -0.724 55.675 56.287 0.187 0.000 0.873 610 K CB 1.497 34.119 32.500 0.203 0.000 1.118 610 K HN 0.730 nan 8.250 nan 0.000 0.441 611 F N 1.403 121.426 119.950 0.121 0.000 2.063 611 F HA -0.330 4.197 4.527 -0.000 0.000 0.298 611 F C 1.902 177.793 175.800 0.152 0.000 1.105 611 F CA 1.830 59.908 58.000 0.129 0.000 1.215 611 F CB -0.121 38.963 39.000 0.141 0.000 0.972 611 F HN 0.539 nan 8.300 nan 0.000 0.483 612 I N 0.779 121.534 120.570 0.308 0.000 2.493 612 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 612 I C 1.680 177.880 176.117 0.139 0.000 1.160 612 I CA 1.566 63.038 61.300 0.287 0.000 1.445 612 I CB -0.768 37.489 38.000 0.428 0.000 1.086 612 I HN 0.138 nan 8.210 nan 0.000 0.433 613 D N 0.319 120.784 120.400 0.109 0.000 2.269 613 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 613 D C 1.902 178.209 176.300 0.011 0.000 0.963 613 D CA 1.499 55.538 54.000 0.065 0.000 0.864 613 D CB -0.106 40.743 40.800 0.081 0.000 0.936 613 D HN 0.607 nan 8.370 nan 0.000 0.505 614 I N -2.901 117.657 120.570 -0.020 0.000 3.976 614 I HA 0.295 4.465 4.170 -0.000 0.000 0.337 614 I C 0.550 176.602 176.117 -0.110 0.000 1.359 614 I CA -0.214 61.062 61.300 -0.039 0.000 1.098 614 I CB 0.363 38.373 38.000 0.016 0.000 1.027 614 I HN -0.315 nan 8.210 nan 0.000 0.394 615 R N 0.469 120.891 120.500 -0.131 0.000 2.727 615 R HA 0.281 4.621 4.340 -0.000 0.000 0.410 615 R C 0.946 177.182 176.300 -0.107 0.000 1.101 615 R CA -0.101 55.885 56.100 -0.190 0.000 1.045 615 R CB 0.356 30.602 30.300 -0.090 0.000 1.380 615 R HN 0.125 nan 8.270 nan 0.000 0.587 616 T N 1.383 115.857 114.554 -0.134 0.000 2.684 616 T HA -0.274 4.076 4.350 -0.000 0.000 0.267 616 T C 1.466 176.085 174.700 -0.136 0.000 1.032 616 T CA 1.625 63.658 62.100 -0.111 0.000 1.155 616 T CB -0.029 68.755 68.868 -0.141 0.000 0.857 616 T HN 0.351 nan 8.240 nan 0.000 0.457 617 K N -0.256 119.974 120.400 -0.282 0.000 2.360 617 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 617 K C 1.801 178.451 176.600 0.083 0.000 1.046 617 K CA 0.858 57.007 56.287 -0.231 0.000 0.940 617 K CB -0.225 31.921 32.500 -0.590 0.000 0.748 617 K HN 0.385 nan 8.250 nan 0.000 0.465 618 Y N 1.279 121.687 120.300 0.180 0.000 2.403 618 Y HA -0.132 4.418 4.550 -0.000 0.000 0.291 618 Y C 1.880 177.745 175.900 -0.058 0.000 1.143 618 Y CA 0.935 59.197 58.100 0.271 0.000 1.257 618 Y CB -0.097 38.648 38.460 0.476 0.000 0.984 618 Y HN -0.009 nan 8.280 nan 0.000 0.550 619 R N -0.809 119.531 120.500 -0.267 0.000 2.148 619 R HA -0.168 4.172 4.340 -0.000 0.000 0.227 619 R C 1.771 177.862 176.300 -0.349 0.000 1.103 619 R CA 1.149 56.728 56.100 -0.868 0.000 0.983 619 R CB -0.131 29.748 30.300 -0.702 0.000 0.874 619 R HN 0.222 nan 8.270 nan 0.000 0.451 620 Q N 0.516 120.249 119.800 -0.111 0.000 2.432 620 Q HA 0.008 4.348 4.340 -0.000 0.000 0.205 620 Q C -0.069 175.966 176.000 0.059 0.000 0.945 620 Q CA 0.504 56.293 55.803 -0.022 0.000 0.924 620 Q CB 0.098 28.829 28.738 -0.012 0.000 1.016 620 Q HN 0.188 nan 8.270 nan 0.000 0.503 621 D N 0.851 121.344 120.400 0.155 0.000 2.458 621 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 621 D C -1.524 174.871 176.300 0.159 0.000 1.146 621 D CA -1.174 52.960 54.000 0.223 0.000 0.877 621 D CB 1.186 42.242 40.800 0.426 0.000 1.176 621 D HN 0.063 nan 8.370 nan 0.000 0.461 622 P HA -0.153 nan 4.420 nan 0.000 0.226 622 P C 0.342 177.459 177.300 -0.305 0.000 1.146 622 P CA 1.108 64.140 63.100 -0.113 0.000 0.773 622 P CB -0.019 31.586 31.700 -0.159 0.000 0.772 623 Y N -3.526 116.834 120.300 0.100 0.000 2.531 623 Y HA 0.152 4.702 4.550 -0.000 0.000 0.249 623 Y C 2.227 178.180 175.900 0.087 0.000 1.168 623 Y CA -0.632 57.514 58.100 0.077 0.000 1.226 623 Y CB -0.436 38.053 38.460 0.048 0.000 1.177 623 Y HN -0.162 nan 8.280 nan 0.000 0.527 624 Y N 1.247 121.601 120.300 0.091 0.000 2.181 624 Y HA -0.279 4.271 4.550 -0.000 0.000 0.288 624 Y C 1.808 177.772 175.900 0.106 0.000 1.146 624 Y CA 1.919 60.048 58.100 0.049 0.000 1.164 624 Y CB -0.069 38.433 38.460 0.069 0.000 0.982 624 Y HN 0.056 nan 8.280 nan 0.000 0.515 625 D N 0.413 120.938 120.400 0.209 0.000 2.104 625 D HA -0.224 4.416 4.640 -0.000 0.000 0.194 625 D C 2.320 178.652 176.300 0.053 0.000 0.994 625 D CA 1.944 56.031 54.000 0.145 0.000 0.830 625 D CB -0.399 40.480 40.800 0.132 0.000 0.959 625 D HN 0.468 nan 8.370 nan 0.000 0.452 626 I N 0.862 121.468 120.570 0.061 0.000 2.163 626 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 626 I C 2.576 178.725 176.117 0.053 0.000 1.085 626 I CA 1.081 62.422 61.300 0.068 0.000 1.347 626 I CB -0.328 37.760 38.000 0.146 0.000 1.044 626 I HN -0.009 nan 8.210 nan 0.000 0.408 627 V N -1.737 118.198 119.914 0.035 0.000 2.719 627 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 627 V C 2.342 178.501 176.094 0.109 0.000 1.065 627 V CA 1.176 63.509 62.300 0.055 0.000 1.086 627 V CB -0.970 30.815 31.823 -0.063 0.000 0.700 627 V HN 0.372 nan 8.190 nan 0.000 0.467 628 Y N 2.034 122.186 120.300 -0.246 0.000 2.206 628 Y HA 0.041 4.591 4.550 -0.000 0.000 0.292 628 Y C 2.909 178.684 175.900 -0.207 0.000 1.123 628 Y CA 2.435 60.277 58.100 -0.430 0.000 1.142 628 Y CB -0.986 37.085 38.460 -0.649 0.000 1.006 628 Y HN 0.405 nan 8.280 nan 0.000 0.518 629 Q N 0.484 120.168 119.800 -0.192 0.000 2.061 629 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 629 Q C 2.507 178.404 176.000 -0.171 0.000 0.984 629 Q CA 2.407 58.079 55.803 -0.220 0.000 0.846 629 Q CB -1.698 26.983 28.738 -0.096 0.000 0.902 629 Q HN 0.640 nan 8.270 nan 0.000 0.421 630 A N -0.601 122.179 122.820 -0.066 0.000 1.978 630 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 630 A C 2.156 179.732 177.584 -0.013 0.000 1.170 630 A CA 1.815 53.838 52.037 -0.023 0.000 0.636 630 A CB -0.719 18.302 19.000 0.036 0.000 0.810 630 A HN 0.912 nan 8.150 nan 0.000 0.448 631 Y N 0.316 120.539 120.300 -0.129 0.000 2.263 631 Y HA -0.025 4.525 4.550 -0.000 0.000 0.292 631 Y C 1.747 177.530 175.900 -0.196 0.000 1.130 631 Y CA 1.533 59.567 58.100 -0.110 0.000 1.179 631 Y CB -0.249 38.162 38.460 -0.082 0.000 0.998 631 Y HN 0.199 nan 8.280 nan 0.000 0.532 632 L N 0.051 120.965 121.223 -0.516 0.000 2.156 632 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 632 L C 2.169 178.819 176.870 -0.367 0.000 1.095 632 L CA 1.108 55.619 54.840 -0.549 0.000 0.770 632 L CB -0.423 41.356 42.059 -0.467 0.000 0.914 632 L HN 0.060 nan 8.230 nan 0.000 0.439 633 R N 0.513 120.857 120.500 -0.261 0.000 2.323 633 R HA 0.073 4.413 4.340 -0.000 0.000 0.198 633 R C 1.192 177.400 176.300 -0.154 0.000 0.988 633 R CA 0.541 56.537 56.100 -0.174 0.000 1.041 633 R CB -0.233 29.995 30.300 -0.120 0.000 0.926 633 R HN 0.420 nan 8.270 nan 0.000 0.476 634 G N 0.942 109.621 108.800 -0.203 0.000 2.321 634 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.287 634 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.287 634 G C -0.064 174.800 174.900 -0.060 0.000 1.018 634 G CA 0.897 45.917 45.100 -0.134 0.000 0.855 634 G HN 0.577 nan 8.290 nan 0.000 0.507 635 E N -1.067 119.106 120.200 -0.045 0.000 2.212 635 E HA 0.919 5.269 4.350 -0.000 0.000 0.270 635 E C 0.177 176.788 176.600 0.018 0.000 0.956 635 E CA -0.229 56.160 56.400 -0.018 0.000 0.825 635 E CB 1.439 31.120 29.700 -0.030 0.000 1.167 635 E HN 1.899 nan 8.360 nan 0.000 0.400 636 A N 2.845 125.672 122.820 0.012 0.000 2.354 636 A HA 0.609 4.929 4.320 -0.000 0.000 0.281 636 A C -2.215 175.373 177.584 0.006 0.000 1.174 636 A CA -1.237 50.810 52.037 0.017 0.000 0.828 636 A CB -0.307 18.692 19.000 -0.002 0.000 1.099 636 A HN 0.508 nan 8.150 nan 0.000 0.516 637 P HA 0.201 nan 4.420 nan 0.000 0.266 637 P C -0.562 176.710 177.300 -0.046 0.000 1.195 637 P CA 0.059 63.168 63.100 0.014 0.000 0.768 637 P CB 0.535 32.282 31.700 0.078 0.000 0.838 638 V N 4.345 124.232 119.914 -0.045 0.000 2.427 638 V HA 0.383 4.503 4.120 -0.000 0.000 0.286 638 V C 0.414 176.433 176.094 -0.126 0.000 1.034 638 V CA -0.327 61.926 62.300 -0.079 0.000 0.893 638 V CB 0.901 32.691 31.823 -0.056 0.000 0.982 638 V HN 0.340 nan 8.190 nan 0.000 0.452 639 L N 4.093 125.187 121.223 -0.214 0.000 2.309 639 L HA 0.652 4.992 4.340 -0.000 0.000 0.261 639 L C -0.230 176.375 176.870 -0.441 0.000 1.021 639 L CA -0.489 54.111 54.840 -0.400 0.000 0.823 639 L CB 2.133 43.805 42.059 -0.644 0.000 1.366 639 L HN 0.526 nan 8.230 nan 0.000 0.423 640 N N 0.637 118.987 118.700 -0.583 0.000 2.284 640 N HA 0.513 5.253 4.740 -0.000 0.000 0.300 640 N C -1.737 173.426 175.510 -0.579 0.000 1.047 640 N CA -0.396 52.386 53.050 -0.446 0.000 0.821 640 N CB 2.114 40.441 38.487 -0.267 0.000 1.337 640 N HN 0.471 nan 8.380 nan 0.000 0.482 641 Y N 0.134 120.269 120.300 -0.276 0.000 2.433 641 Y HA 0.228 4.778 4.550 -0.000 0.000 0.337 641 Y C -0.540 175.127 175.900 -0.389 0.000 1.026 641 Y CA -0.985 56.961 58.100 -0.257 0.000 1.037 641 Y CB 1.709 40.044 38.460 -0.209 0.000 1.245 641 Y HN 0.499 nan 8.280 nan 0.000 0.443 642 H N 2.170 121.289 119.070 0.082 0.000 2.643 642 H HA 0.366 4.922 4.556 -0.000 0.000 0.259 642 H C -0.651 174.681 175.328 0.006 0.000 1.298 642 H CA -0.876 55.214 56.048 0.070 0.000 1.301 642 H CB 0.255 30.083 29.762 0.110 0.000 1.422 642 H HN 0.375 nan 8.280 nan 0.000 0.521 643 R N 1.287 121.664 120.500 -0.205 0.000 2.438 643 R HA 0.032 4.372 4.340 -0.000 0.000 0.287 643 R C 0.621 176.778 176.300 -0.239 0.000 1.077 643 R CA -0.358 55.479 56.100 -0.438 0.000 1.034 643 R CB 0.553 30.233 30.300 -1.033 0.000 0.993 643 R HN 0.466 nan 8.270 nan 0.000 0.459 644 F N 4.331 124.124 119.950 -0.262 0.000 2.063 644 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 644 F C 1.890 177.550 175.800 -0.232 0.000 1.109 644 F CA 1.784 59.623 58.000 -0.268 0.000 1.212 644 F CB -0.132 38.720 39.000 -0.246 0.000 0.973 644 F HN 0.721 nan 8.300 nan 0.000 0.480 645 W N 0.064 121.189 121.300 -0.291 0.000 2.402 645 W HA -0.148 4.512 4.660 -0.000 0.000 0.286 645 W C 1.986 178.325 176.519 -0.300 0.000 1.221 645 W CA 1.397 58.396 57.345 -0.577 0.000 1.257 645 W CB -1.645 27.367 29.460 -0.747 0.000 1.120 645 W HN 0.245 nan 8.180 nan 0.000 0.551 646 H N 1.135 119.669 119.070 -0.894 0.000 2.319 646 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 646 H C 2.262 177.394 175.328 -0.326 0.000 1.092 646 H CA 1.781 57.429 56.048 -0.667 0.000 1.302 646 H CB 0.066 29.450 29.762 -0.631 0.000 1.373 646 H HN 0.088 nan 8.280 nan 0.000 0.497 647 E N 0.608 120.677 120.200 -0.219 0.000 2.110 647 E HA -0.113 4.236 4.350 -0.000 0.000 0.193 647 E C 2.503 178.963 176.600 -0.235 0.000 0.988 647 E CA 0.647 56.913 56.400 -0.223 0.000 0.804 647 E CB -0.312 29.148 29.700 -0.400 0.000 0.745 647 E HN 0.290 nan 8.360 nan 0.000 0.458 648 V N 1.975 121.690 119.914 -0.332 0.000 2.323 648 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 648 V C 2.089 178.171 176.094 -0.019 0.000 1.041 648 V CA 1.716 63.899 62.300 -0.195 0.000 1.025 648 V CB -0.431 31.270 31.823 -0.203 0.000 0.656 648 V HN 0.094 nan 8.190 nan 0.000 0.451 649 D N -0.033 120.415 120.400 0.080 0.000 2.133 649 D HA -0.175 4.465 4.640 -0.000 0.000 0.195 649 D C 2.018 178.363 176.300 0.075 0.000 0.997 649 D CA 1.357 55.468 54.000 0.183 0.000 0.840 649 D CB -0.121 40.948 40.800 0.449 0.000 0.947 649 D HN 0.297 nan 8.370 nan 0.000 0.452 650 L N 0.972 122.225 121.223 0.050 0.000 1.994 650 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 650 L C 2.250 179.144 176.870 0.039 0.000 1.071 650 L CA 2.155 57.026 54.840 0.052 0.000 0.745 650 L CB -0.932 41.175 42.059 0.078 0.000 0.892 650 L HN -0.023 nan 8.230 nan 0.000 0.431 651 A N -1.113 121.720 122.820 0.022 0.000 1.883 651 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 651 A C 2.275 179.983 177.584 0.208 0.000 1.186 651 A CA 2.275 54.364 52.037 0.087 0.000 0.624 651 A CB -1.249 17.751 19.000 -0.001 0.000 0.822 651 A HN 0.330 nan 8.150 nan 0.000 0.444 652 V N -0.250 119.678 119.914 0.023 0.000 2.407 652 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 652 V C 3.009 179.021 176.094 -0.136 0.000 1.055 652 V CA 1.840 64.037 62.300 -0.172 0.000 1.049 652 V CB -1.206 30.233 31.823 -0.640 0.000 0.662 652 V HN 0.644 nan 8.190 nan 0.000 0.455 653 A N -0.336 122.448 122.820 -0.060 0.000 1.877 653 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 653 A C 2.239 179.790 177.584 -0.056 0.000 1.186 653 A CA 2.208 54.227 52.037 -0.030 0.000 0.620 653 A CB -0.492 18.515 19.000 0.011 0.000 0.822 653 A HN 0.479 nan 8.150 nan 0.000 0.443 654 M N -0.447 119.146 119.600 -0.013 0.000 2.082 654 M HA -0.169 4.311 4.480 -0.000 0.000 0.258 654 M C 2.281 178.562 176.300 -0.032 0.000 1.069 654 M CA 1.663 56.974 55.300 0.017 0.000 1.102 654 M CB -0.732 31.945 32.600 0.127 0.000 1.336 654 M HN 0.513 nan 8.290 nan 0.000 0.404 655 G N -0.463 108.276 108.800 -0.102 0.000 2.418 655 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 655 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 655 G C 1.499 176.211 174.900 -0.314 0.000 1.158 655 G CA 0.817 45.699 45.100 -0.363 0.000 0.771 655 G HN 0.322 nan 8.290 nan 0.000 0.545 656 V N 0.691 120.496 119.914 -0.180 0.000 2.295 656 V HA -0.120 3.999 4.120 -0.000 0.000 0.246 656 V C 2.857 178.949 176.094 -0.004 0.000 1.049 656 V CA 1.178 63.441 62.300 -0.062 0.000 1.024 656 V CB -0.388 31.482 31.823 0.079 0.000 0.648 656 V HN 0.212 nan 8.190 nan 0.000 0.447 657 L N 0.449 121.659 121.223 -0.022 0.000 1.989 657 L HA -0.173 4.166 4.340 -0.000 0.000 0.211 657 L C 2.677 179.557 176.870 0.017 0.000 1.071 657 L CA 2.529 57.375 54.840 0.010 0.000 0.749 657 L CB -1.762 40.078 42.059 -0.366 0.000 0.890 657 L HN 0.344 nan 8.230 nan 0.000 0.431 658 A N -1.771 121.016 122.820 -0.054 0.000 1.978 658 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 658 A C 2.322 179.771 177.584 -0.226 0.000 1.170 658 A CA 2.317 54.305 52.037 -0.082 0.000 0.636 658 A CB -0.823 18.096 19.000 -0.135 0.000 0.810 658 A HN 0.491 nan 8.150 nan 0.000 0.448 659 T N -1.838 112.486 114.554 -0.383 0.000 2.809 659 T HA -0.033 4.317 4.350 -0.000 0.000 0.260 659 T C 1.552 175.854 174.700 -0.664 0.000 1.039 659 T CA 1.642 63.355 62.100 -0.645 0.000 1.141 659 T CB -0.330 67.950 68.868 -0.980 0.000 0.869 659 T HN 0.637 nan 8.240 nan 0.000 0.437 660 Y N -0.831 119.310 120.300 -0.265 0.000 2.507 660 Y HA 0.365 4.915 4.550 -0.000 0.000 0.263 660 Y C 0.254 175.596 175.900 -0.930 0.000 1.093 660 Y CA -0.345 57.423 58.100 -0.554 0.000 1.285 660 Y CB 0.467 38.562 38.460 -0.609 0.000 1.115 660 Y HN 0.091 nan 8.280 nan 0.000 0.533 661 F N 0.809 120.790 119.950 0.051 0.000 2.584 661 F HA 0.364 4.891 4.527 -0.000 0.000 0.328 661 F C -2.059 173.757 175.800 0.027 0.000 1.407 661 F CA -2.648 55.373 58.000 0.037 0.000 1.145 661 F CB 0.749 39.772 39.000 0.039 0.000 1.440 661 F HN -0.154 nan 8.300 nan 0.000 0.580 662 P HA -0.102 nan 4.420 nan 0.000 0.223 662 P C 0.615 177.961 177.300 0.076 0.000 1.151 662 P CA 1.271 64.392 63.100 0.036 0.000 0.787 662 P CB 0.455 32.130 31.700 -0.042 0.000 0.788 663 D N -0.976 119.484 120.400 0.101 0.000 2.347 663 D HA 0.059 4.699 4.640 -0.000 0.000 0.213 663 D C 1.194 177.564 176.300 0.116 0.000 0.985 663 D CA 0.455 54.507 54.000 0.087 0.000 0.879 663 D CB -0.321 40.525 40.800 0.076 0.000 0.919 663 D HN 0.254 nan 8.370 nan 0.000 0.526 664 M N 0.144 119.860 119.600 0.194 0.000 2.240 664 M HA 0.129 4.609 4.480 -0.000 0.000 0.333 664 M C 0.245 176.675 176.300 0.216 0.000 1.110 664 M CA 0.766 56.210 55.300 0.241 0.000 1.173 664 M CB 1.030 33.827 32.600 0.328 0.000 1.458 664 M HN -0.283 nan 8.290 nan 0.000 0.458 665 T N 1.214 115.824 114.554 0.093 0.000 2.933 665 T HA 0.315 4.665 4.350 -0.000 0.000 0.305 665 T C -1.407 173.126 174.700 -0.278 0.000 1.092 665 T CA -0.568 61.439 62.100 -0.155 0.000 1.008 665 T CB 0.992 69.828 68.868 -0.053 0.000 1.102 665 T HN 0.479 nan 8.240 nan 0.000 0.469 666 Y N 2.586 122.497 120.300 -0.649 0.000 2.480 666 Y HA 0.470 5.020 4.550 -0.000 0.000 0.338 666 Y C 0.009 175.827 175.900 -0.138 0.000 1.220 666 Y CA 0.061 57.917 58.100 -0.406 0.000 1.430 666 Y CB 0.165 38.394 38.460 -0.385 0.000 1.311 666 Y HN 0.661 nan 8.280 nan 0.000 0.575 667 K N 5.570 125.451 120.400 -0.865 0.000 2.464 667 K HA 0.618 4.938 4.320 -0.000 0.000 0.253 667 K C -1.432 174.570 176.600 -0.996 0.000 0.933 667 K CA -0.369 55.512 56.287 -0.676 0.000 0.801 667 K CB 1.044 33.349 32.500 -0.325 0.000 1.271 667 K HN 1.128 nan 8.250 nan 0.000 0.430 668 V N 4.060 123.604 119.914 -0.615 0.000 2.450 668 V HA 0.362 4.482 4.120 -0.000 0.000 0.281 668 V C -1.726 174.048 176.094 -0.535 0.000 1.019 668 V CA -0.994 60.963 62.300 -0.572 0.000 1.062 668 V CB 0.220 31.832 31.823 -0.350 0.000 0.979 668 V HN 0.904 nan 8.190 nan 0.000 0.477 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.916 63.100 -0.307 0.000 0.800 669 P CB 0.000 31.610 31.700 -0.150 0.000 0.726