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 3mqe_1_B DATA FIRST_RESID 18 DATA SEQUENCE ANPccSNPcQ NRGEcMSTGF DQYKcDcTRT GFYGENcTTP EFLTRIKLLL DATA SEQUENCE KPTPNTVHYI LTHFKGVWNI VNNIPFLRSL IMKYVLTSRS YLIDSPPTYN DATA SEQUENCE VHYGYKSWEA FSNLSYYTRA LPPVADDcPT PMGVKGNKEL PDSKEVLEKV DATA SEQUENCE LLRREFIPDP QGSNMMFAFF AQHFTHQFFK TDHKRGPGFT RGLGHGVDLN DATA SEQUENCE HIYGETLDRQ HKLRLFKDGK LKYQVIGGEV YPPTVKDTQV EMIYPPHIPE DATA SEQUENCE NLQFAVGQEV FGLVPGLMMY ATIWLREHNR VCDILKQEHP EWGDEQLFQT DATA SEQUENCE SRLILIGETI KIVIEDYVQH LSGYHFKLKF DPELLFNQQF QYQNRIASEF DATA SEQUENCE NTLYHWHPLL PDTFNIEDQE YSFKQFLYNN SILLEHGLTQ FVESFTRQIA DATA SEQUENCE GRVAGGRNVP IAVQAVAKAS IDQSREMKYQ SLNEYRKRFS LKPYTSFEEL DATA SEQUENCE TGEKEMAAEL KALYSDIDVM ELYPALLVEK PRPDAIFGET MVELGAPFSL DATA SEQUENCE KGLMGNPICS PQYWKPSTFG GEVGFKIINT ASIQSLIcNN VKGcPFTSFN DATA SEQUENCE VQ 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 18 A HA 0.000 nan 4.320 nan 0.000 0.244 18 A C 0.000 177.632 177.584 0.080 0.000 1.274 18 A CA 0.000 52.071 52.037 0.056 0.000 0.836 18 A CB 0.000 19.031 19.000 0.052 0.000 0.831 19 N N 2.399 121.143 118.700 0.073 0.000 2.374 19 N HA 0.089 4.830 4.740 0.001 0.000 0.269 19 N C -1.359 174.182 175.510 0.052 0.000 1.310 19 N CA -0.603 52.490 53.050 0.073 0.000 0.877 19 N CB 1.034 39.556 38.487 0.058 0.000 1.096 19 N HN 0.257 nan 8.380 nan 0.000 0.484 20 P HA 0.071 nan 4.420 nan 0.000 0.245 20 P C 0.317 177.585 177.300 -0.053 0.000 1.212 20 P CA 0.304 63.438 63.100 0.056 0.000 0.774 20 P CB -0.002 31.797 31.700 0.165 0.000 0.999 21 c N -1.502 117.073 118.600 -0.042 0.000 2.791 21 c HA 0.127 4.698 4.570 0.001 0.000 0.270 21 c C 2.646 176.677 174.090 -0.098 0.000 1.257 21 c CA -0.182 56.084 56.329 -0.105 0.000 1.699 21 c CB -2.005 40.483 42.510 -0.036 0.000 1.904 21 c HN 0.340 nan 8.230 nan 0.000 0.603 22 c N 1.511 120.073 118.600 -0.063 0.000 2.411 22 c HA -0.101 4.470 4.570 0.001 0.000 0.279 22 c C 2.831 176.879 174.090 -0.071 0.000 1.288 22 c CA 2.028 58.327 56.329 -0.049 0.000 1.764 22 c CB -1.319 41.179 42.510 -0.020 0.000 1.974 22 c HN 0.801 nan 8.230 nan 0.000 0.498 23 S N 0.366 116.005 115.700 -0.103 0.000 2.631 23 S HA 0.012 4.483 4.470 0.001 0.000 0.217 23 S C 0.318 174.838 174.600 -0.133 0.000 0.958 23 S CA 0.191 58.327 58.200 -0.106 0.000 0.920 23 S CB -0.675 62.460 63.200 -0.108 0.000 0.776 23 S HN 0.645 nan 8.310 nan 0.000 0.517 24 N N 1.485 120.095 118.700 -0.151 0.000 2.714 24 N HA -0.093 4.647 4.740 0.001 0.000 0.253 24 N C -2.088 173.316 175.510 -0.176 0.000 1.024 24 N CA 1.011 53.967 53.050 -0.156 0.000 0.726 24 N CB -1.635 36.772 38.487 -0.133 0.000 0.908 24 N HN 0.440 nan 8.380 nan 0.000 0.542 25 P HA -0.019 nan 4.420 nan 0.000 0.217 25 P C 0.462 177.678 177.300 -0.139 0.000 1.151 25 P CA 0.725 63.665 63.100 -0.266 0.000 0.828 25 P CB 0.205 31.520 31.700 -0.641 0.000 0.788 26 c N 1.483 120.017 118.600 -0.109 0.000 2.662 26 c HA 0.279 4.849 4.570 0.001 0.000 0.420 26 c C 0.679 174.722 174.090 -0.079 0.000 1.314 26 c CA -0.216 56.091 56.329 -0.036 0.000 1.963 26 c CB -0.637 41.873 42.510 0.001 0.000 2.686 26 c HN 0.289 nan 8.230 nan 0.000 0.609 27 Q N 1.179 120.924 119.800 -0.092 0.000 2.496 27 Q HA 0.321 4.661 4.340 0.001 0.000 0.286 27 Q C -0.235 175.647 176.000 -0.197 0.000 1.103 27 Q CA -0.621 55.089 55.803 -0.156 0.000 0.813 27 Q CB 1.290 29.913 28.738 -0.193 0.000 1.444 27 Q HN 0.788 nan 8.270 nan 0.000 0.443 28 N N 1.467 120.021 118.700 -0.244 0.000 2.721 28 N HA -0.231 4.510 4.740 0.001 0.000 0.249 28 N C -0.424 175.044 175.510 -0.069 0.000 1.072 28 N CA 1.116 54.033 53.050 -0.221 0.000 0.710 28 N CB -0.431 37.752 38.487 -0.507 0.000 0.993 28 N HN 0.719 nan 8.380 nan 0.000 0.547 29 R N -4.533 115.926 120.500 -0.069 0.000 3.728 29 R HA -0.125 4.215 4.340 0.001 0.000 0.478 29 R C 0.996 177.295 176.300 -0.001 0.000 0.932 29 R CA 1.208 57.288 56.100 -0.034 0.000 1.317 29 R CB -2.138 28.158 30.300 -0.008 0.000 1.987 29 R HN 0.454 nan 8.270 nan 0.000 0.509 30 G N 1.061 109.862 108.800 0.001 0.000 2.732 30 G HA2 0.233 4.194 3.960 0.001 0.000 0.244 30 G HA3 0.233 4.194 3.960 0.001 0.000 0.244 30 G C -0.192 174.724 174.900 0.026 0.000 1.226 30 G CA -0.182 44.935 45.100 0.028 0.000 0.860 30 G HN 0.206 nan 8.290 nan 0.000 0.583 31 E N -1.252 118.979 120.200 0.051 0.000 2.222 31 E HA 0.303 4.653 4.350 0.001 0.000 0.267 31 E C -1.076 175.568 176.600 0.075 0.000 0.884 31 E CA -0.663 55.775 56.400 0.063 0.000 0.764 31 E CB 2.225 31.981 29.700 0.092 0.000 1.169 31 E HN 0.404 nan 8.360 nan 0.000 0.413 32 c N 4.812 123.450 118.600 0.063 0.000 2.325 32 c HA 0.508 5.079 4.570 0.001 0.000 0.347 32 c C -0.150 174.000 174.090 0.100 0.000 1.263 32 c CA -0.299 56.082 56.329 0.086 0.000 1.806 32 c CB -0.864 41.654 42.510 0.014 0.000 2.405 32 c HN 0.752 nan 8.230 nan 0.000 0.537 33 M N 6.170 125.842 119.600 0.119 0.000 2.393 33 M HA 0.451 4.932 4.480 0.001 0.000 0.316 33 M C 0.136 176.499 176.300 0.105 0.000 1.087 33 M CA -0.065 55.290 55.300 0.093 0.000 0.937 33 M CB 1.851 34.490 32.600 0.065 0.000 1.668 33 M HN 0.762 nan 8.290 nan 0.000 0.438 34 S N 2.172 117.919 115.700 0.079 0.000 2.545 34 S HA 0.359 4.830 4.470 0.001 0.000 0.275 34 S C 0.446 175.055 174.600 0.015 0.000 1.299 34 S CA -0.050 58.193 58.200 0.071 0.000 1.048 34 S CB 0.657 63.890 63.200 0.055 0.000 0.938 34 S HN 0.791 nan 8.310 nan 0.000 0.496 35 T N -0.867 113.689 114.554 0.004 0.000 3.266 35 T HA 0.632 4.982 4.350 0.001 0.000 0.278 35 T C 0.552 175.213 174.700 -0.065 0.000 1.010 35 T CA -0.096 61.982 62.100 -0.036 0.000 0.909 35 T CB -0.444 68.402 68.868 -0.036 0.000 1.122 35 T HN 1.549 nan 8.240 nan 0.000 0.536 36 G N -0.098 108.648 108.800 -0.090 0.000 2.350 36 G HA2 0.304 4.265 3.960 0.001 0.000 0.304 36 G HA3 0.304 4.265 3.960 0.001 0.000 0.304 36 G C -0.264 174.586 174.900 -0.084 0.000 1.421 36 G CA -0.904 44.113 45.100 -0.139 0.000 0.934 36 G HN 0.029 nan 8.290 nan 0.000 0.632 37 F N -0.216 119.749 119.950 0.024 0.000 2.154 37 F HA -0.027 4.500 4.527 0.001 0.000 0.301 37 F C 1.997 177.819 175.800 0.036 0.000 1.087 37 F CA 1.829 59.845 58.000 0.027 0.000 1.274 37 F CB 0.343 39.356 39.000 0.021 0.000 1.009 37 F HN 0.315 nan 8.300 nan 0.000 0.485 38 D N -1.360 119.168 120.400 0.214 0.000 2.513 38 D HA 0.121 4.761 4.640 0.001 0.000 0.222 38 D C -0.161 176.218 176.300 0.132 0.000 1.210 38 D CA 0.247 54.340 54.000 0.154 0.000 0.825 38 D CB 0.430 41.307 40.800 0.128 0.000 1.037 38 D HN 0.201 nan 8.370 nan 0.000 0.506 39 Q N 0.141 120.006 119.800 0.109 0.000 2.345 39 Q HA 0.483 4.824 4.340 0.001 0.000 0.268 39 Q C -0.694 175.381 176.000 0.125 0.000 1.054 39 Q CA -0.852 55.001 55.803 0.082 0.000 0.835 39 Q CB 2.027 30.767 28.738 0.002 0.000 1.339 39 Q HN 0.175 nan 8.270 nan 0.000 0.447 40 Y N -1.518 118.789 120.300 0.011 0.000 2.693 40 Y HA 0.871 5.422 4.550 0.001 0.000 0.331 40 Y C -1.096 174.808 175.900 0.006 0.000 1.092 40 Y CA -1.320 56.785 58.100 0.008 0.000 1.131 40 Y CB 1.832 40.298 38.460 0.009 0.000 1.318 40 Y HN 0.519 nan 8.280 nan 0.000 0.510 41 K N 1.120 121.576 120.400 0.094 0.000 2.587 41 K HA 0.503 4.824 4.320 0.001 0.000 0.256 41 K C -2.251 174.427 176.600 0.130 0.000 0.974 41 K CA -0.413 55.861 56.287 -0.022 0.000 0.855 41 K CB 1.291 33.763 32.500 -0.048 0.000 1.292 41 K HN 0.971 nan 8.250 nan 0.000 0.444 42 c N 2.686 121.367 118.600 0.135 0.000 2.514 42 c HA 0.273 4.843 4.570 0.001 0.000 0.392 42 c C -0.080 174.059 174.090 0.081 0.000 1.294 42 c CA -0.456 55.951 56.329 0.131 0.000 1.957 42 c CB 0.200 42.795 42.510 0.142 0.000 2.541 42 c HN 0.713 nan 8.230 nan 0.000 0.569 43 D N 2.054 122.499 120.400 0.075 0.000 2.428 43 D HA 0.194 4.834 4.640 0.001 0.000 0.221 43 D C 0.323 176.665 176.300 0.069 0.000 1.123 43 D CA -0.342 53.696 54.000 0.063 0.000 0.869 43 D CB 0.654 41.487 40.800 0.056 0.000 1.032 43 D HN 0.646 nan 8.370 nan 0.000 0.506 44 c N 2.814 121.462 118.600 0.080 0.000 2.673 44 c HA 0.121 4.691 4.570 0.001 0.000 0.274 44 c C 0.850 174.996 174.090 0.094 0.000 1.276 44 c CA -0.320 56.069 56.329 0.100 0.000 1.701 44 c CB -1.635 40.958 42.510 0.139 0.000 1.836 44 c HN 0.547 nan 8.230 nan 0.000 0.596 45 T N 1.335 115.930 114.554 0.068 0.000 2.891 45 T HA 0.051 4.402 4.350 0.001 0.000 0.296 45 T C 1.011 175.742 174.700 0.052 0.000 1.025 45 T CA 0.597 62.728 62.100 0.052 0.000 1.149 45 T CB 0.104 68.993 68.868 0.035 0.000 1.007 45 T HN 0.627 nan 8.240 nan 0.000 0.528 46 R N -0.297 120.230 120.500 0.045 0.000 3.953 46 R HA -0.228 4.112 4.340 0.001 0.000 0.448 46 R C 1.756 178.086 176.300 0.050 0.000 1.016 46 R CA 1.602 57.723 56.100 0.035 0.000 1.398 46 R CB -2.343 27.970 30.300 0.023 0.000 2.021 46 R HN 0.912 nan 8.270 nan 0.000 0.538 47 T N -3.018 111.590 114.554 0.090 0.000 3.160 47 T HA 0.193 4.543 4.350 0.001 0.000 0.257 47 T C 1.455 176.265 174.700 0.185 0.000 1.147 47 T CA 0.861 63.047 62.100 0.144 0.000 1.064 47 T CB 0.488 69.463 68.868 0.178 0.000 0.949 47 T HN 0.725 nan 8.240 nan 0.000 0.526 48 G N 0.689 109.534 108.800 0.075 0.000 2.166 48 G HA2 -0.220 3.740 3.960 0.001 0.000 0.260 48 G HA3 -0.220 3.740 3.960 0.001 0.000 0.260 48 G C -0.118 174.622 174.900 -0.266 0.000 0.986 48 G CA 0.272 45.320 45.100 -0.086 0.000 0.683 48 G HN 0.598 nan 8.290 nan 0.000 0.527 49 F N -0.735 119.261 119.950 0.076 0.000 2.588 49 F HA 0.710 5.238 4.527 0.001 0.000 0.310 49 F C 0.239 176.129 175.800 0.150 0.000 1.082 49 F CA -1.175 56.867 58.000 0.071 0.000 0.929 49 F CB 1.522 40.519 39.000 -0.005 0.000 1.254 49 F HN 0.244 nan 8.300 nan 0.000 0.455 50 Y N -0.222 120.197 120.300 0.197 0.000 2.773 50 Y HA 0.973 5.524 4.550 0.001 0.000 0.323 50 Y C 0.128 176.096 175.900 0.113 0.000 1.183 50 Y CA -1.452 56.720 58.100 0.120 0.000 1.144 50 Y CB 1.286 39.787 38.460 0.068 0.000 1.340 50 Y HN 1.027 nan 8.280 nan 0.000 0.531 51 G N 0.236 109.115 108.800 0.132 0.000 2.603 51 G HA2 -0.203 3.757 3.960 0.001 0.000 0.686 51 G HA3 -0.203 3.757 3.960 0.001 0.000 0.686 51 G C 0.070 175.001 174.900 0.051 0.000 1.286 51 G CA -0.075 45.038 45.100 0.021 0.000 0.871 51 G HN 1.053 nan 8.290 nan 0.000 0.568 52 E N -0.305 119.913 120.200 0.031 0.000 2.058 52 E HA -0.132 4.219 4.350 0.001 0.000 0.194 52 E C 1.398 178.040 176.600 0.071 0.000 0.997 52 E CA 1.434 57.852 56.400 0.031 0.000 0.801 52 E CB -0.084 29.622 29.700 0.011 0.000 0.746 52 E HN 0.417 nan 8.360 nan 0.000 0.450 53 N N -0.377 118.361 118.700 0.064 0.000 2.328 53 N HA 0.085 4.826 4.740 0.001 0.000 0.247 53 N C -0.549 174.961 175.510 -0.001 0.000 1.165 53 N CA 0.256 53.347 53.050 0.068 0.000 0.873 53 N CB 0.437 38.955 38.487 0.050 0.000 1.125 53 N HN 0.141 nan 8.380 nan 0.000 0.513 54 c N 0.699 119.309 118.600 0.016 0.000 4.235 54 c HA -0.124 4.446 4.570 0.001 0.000 0.301 54 c C 1.846 175.868 174.090 -0.114 0.000 1.409 54 c CA 1.146 57.483 56.329 0.014 0.000 2.024 54 c CB -3.171 39.354 42.510 0.026 0.000 1.286 54 c HN 0.615 nan 8.230 nan 0.000 0.746 55 T N -4.916 109.577 114.554 -0.101 0.000 3.023 55 T HA 0.171 4.521 4.350 0.001 0.000 0.253 55 T C 0.336 175.059 174.700 0.039 0.000 1.038 55 T CA 0.578 62.586 62.100 -0.153 0.000 0.962 55 T CB 0.231 69.025 68.868 -0.123 0.000 1.018 55 T HN 0.556 nan 8.240 nan 0.000 0.521 56 T N 5.664 120.211 114.554 -0.011 0.000 2.743 56 T HA 0.439 4.789 4.350 0.001 0.000 0.293 56 T C -2.699 171.965 174.700 -0.060 0.000 0.945 56 T CA -1.266 60.740 62.100 -0.156 0.000 1.030 56 T CB 1.461 69.943 68.868 -0.643 0.000 0.912 56 T HN 0.207 nan 8.240 nan 0.000 0.483 57 P HA 0.258 nan 4.420 nan 0.000 0.278 57 P C -0.089 177.172 177.300 -0.066 0.000 1.238 57 P CA -0.540 62.380 63.100 -0.299 0.000 0.794 57 P CB 1.059 32.579 31.700 -0.299 0.000 0.955 58 E N 0.839 120.998 120.200 -0.068 0.000 2.409 58 E HA -0.012 4.338 4.350 0.001 0.000 0.257 58 E C 0.732 177.355 176.600 0.037 0.000 1.150 58 E CA -0.208 56.237 56.400 0.075 0.000 0.942 58 E CB 0.155 29.868 29.700 0.022 0.000 0.979 58 E HN 0.402 nan 8.360 nan 0.000 0.447 59 F N 1.461 121.396 119.950 -0.025 0.000 2.102 59 F HA -0.215 4.312 4.527 0.001 0.000 0.298 59 F C 1.844 177.611 175.800 -0.056 0.000 1.105 59 F CA 1.173 59.154 58.000 -0.032 0.000 1.239 59 F CB -0.099 38.889 39.000 -0.020 0.000 0.991 59 F HN 0.374 nan 8.300 nan 0.000 0.474 60 L N 0.592 121.812 121.223 -0.004 0.000 2.042 60 L HA -0.186 4.155 4.340 0.001 0.000 0.210 60 L C 2.307 179.057 176.870 -0.200 0.000 1.076 60 L CA 2.555 57.331 54.840 -0.107 0.000 0.749 60 L CB -1.663 40.393 42.059 -0.005 0.000 0.893 60 L HN 0.262 nan 8.230 nan 0.000 0.432 61 T N -0.416 114.015 114.554 -0.205 0.000 2.929 61 T HA -0.141 4.210 4.350 0.001 0.000 0.271 61 T C 1.881 176.428 174.700 -0.256 0.000 1.085 61 T CA 1.049 62.991 62.100 -0.263 0.000 1.125 61 T CB -0.210 68.394 68.868 -0.441 0.000 0.874 61 T HN 0.425 nan 8.240 nan 0.000 0.494 62 R N 0.288 120.626 120.500 -0.270 0.000 2.073 62 R HA 0.078 4.419 4.340 0.001 0.000 0.229 62 R C 2.144 178.314 176.300 -0.217 0.000 1.120 62 R CA 0.868 56.832 56.100 -0.226 0.000 0.967 62 R CB -0.531 29.619 30.300 -0.248 0.000 0.862 62 R HN 0.291 nan 8.270 nan 0.000 0.436 63 I N 1.811 122.204 120.570 -0.295 0.000 2.179 63 I HA -0.226 3.944 4.170 0.001 0.000 0.242 63 I C 2.124 178.155 176.117 -0.145 0.000 1.088 63 I CA 1.483 62.644 61.300 -0.233 0.000 1.357 63 I CB -0.402 37.430 38.000 -0.279 0.000 1.051 63 I HN 0.027 nan 8.210 nan 0.000 0.409 64 K N -0.044 120.272 120.400 -0.139 0.000 2.089 64 K HA -0.214 4.106 4.320 0.001 0.000 0.210 64 K C 2.099 178.661 176.600 -0.064 0.000 1.048 64 K CA 1.536 57.767 56.287 -0.094 0.000 0.926 64 K CB -0.406 32.032 32.500 -0.102 0.000 0.714 64 K HN 0.291 nan 8.250 nan 0.000 0.448 65 L N 0.114 121.298 121.223 -0.065 0.000 2.044 65 L HA -0.180 4.160 4.340 0.001 0.000 0.205 65 L C 2.210 179.067 176.870 -0.022 0.000 1.075 65 L CA 0.605 55.431 54.840 -0.023 0.000 0.747 65 L CB -0.323 41.734 42.059 -0.003 0.000 0.903 65 L HN 0.105 nan 8.230 nan 0.000 0.435 66 L N -0.746 120.450 121.223 -0.045 0.000 2.042 66 L HA -0.244 4.097 4.340 0.001 0.000 0.210 66 L C 2.259 179.110 176.870 -0.031 0.000 1.076 66 L CA 1.631 56.448 54.840 -0.039 0.000 0.749 66 L CB -0.609 41.416 42.059 -0.056 0.000 0.893 66 L HN 0.152 nan 8.230 nan 0.000 0.432 67 L N -1.138 120.062 121.223 -0.038 0.000 2.162 67 L HA 0.001 4.342 4.340 0.001 0.000 0.205 67 L C 1.291 178.152 176.870 -0.014 0.000 1.086 67 L CA 0.802 55.623 54.840 -0.032 0.000 0.778 67 L CB -0.791 41.241 42.059 -0.044 0.000 0.928 67 L HN 0.142 nan 8.230 nan 0.000 0.446 68 K N 1.811 122.209 120.400 -0.003 0.000 2.448 68 K HA 0.085 4.406 4.320 0.001 0.000 0.278 68 K C -2.181 174.442 176.600 0.039 0.000 1.009 68 K CA -1.098 55.206 56.287 0.028 0.000 0.995 68 K CB 0.617 33.141 32.500 0.040 0.000 0.917 68 K HN -0.021 nan 8.250 nan 0.000 0.481 69 P HA 0.183 nan 4.420 nan 0.000 0.287 69 P C -0.853 176.497 177.300 0.084 0.000 1.296 69 P CA -0.592 62.548 63.100 0.066 0.000 0.811 69 P CB 0.765 32.512 31.700 0.078 0.000 1.211 70 T N -4.068 110.534 114.554 0.080 0.000 2.902 70 T HA 0.346 4.696 4.350 0.001 0.000 0.280 70 T C -1.904 172.862 174.700 0.110 0.000 0.992 70 T CA -1.716 60.433 62.100 0.082 0.000 1.015 70 T CB 0.317 69.222 68.868 0.062 0.000 1.044 70 T HN 0.120 nan 8.240 nan 0.000 0.520 71 P HA -0.013 nan 4.420 nan 0.000 0.218 71 P C 1.212 178.605 177.300 0.154 0.000 1.149 71 P CA 0.886 64.060 63.100 0.122 0.000 0.817 71 P CB -0.001 31.748 31.700 0.081 0.000 0.785 72 N N -1.495 117.280 118.700 0.126 0.000 2.376 72 N HA -0.024 4.716 4.740 0.001 0.000 0.177 72 N C 1.315 176.953 175.510 0.213 0.000 1.024 72 N CA 1.154 54.293 53.050 0.149 0.000 0.893 72 N CB -0.295 38.250 38.487 0.096 0.000 0.980 72 N HN 0.175 nan 8.380 nan 0.000 0.439 73 T N 1.021 115.677 114.554 0.169 0.000 2.851 73 T HA -0.000 4.350 4.350 0.001 0.000 0.262 73 T C 2.315 177.155 174.700 0.232 0.000 1.043 73 T CA 0.483 62.683 62.100 0.167 0.000 1.140 73 T CB -0.106 68.817 68.868 0.093 0.000 0.872 73 T HN -0.058 nan 8.240 nan 0.000 0.446 74 V N 1.549 121.591 119.914 0.214 0.000 2.407 74 V HA -0.215 3.905 4.120 0.001 0.000 0.248 74 V C 2.379 178.596 176.094 0.204 0.000 1.055 74 V CA 1.611 64.040 62.300 0.214 0.000 1.049 74 V CB -0.783 31.165 31.823 0.207 0.000 0.662 74 V HN 0.625 nan 8.190 nan 0.000 0.455 75 H N -1.246 117.921 119.070 0.161 0.000 2.387 75 H HA -0.223 4.333 4.556 0.001 0.000 0.299 75 H C 2.281 177.721 175.328 0.187 0.000 1.090 75 H CA 2.305 58.450 56.048 0.162 0.000 1.332 75 H CB 0.003 29.877 29.762 0.187 0.000 1.386 75 H HN 0.564 nan 8.280 nan 0.000 0.516 76 Y N 0.999 121.423 120.300 0.207 0.000 2.114 76 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 76 Y C 2.616 178.669 175.900 0.254 0.000 1.143 76 Y CA 1.873 60.099 58.100 0.210 0.000 1.135 76 Y CB -0.431 38.066 38.460 0.063 0.000 0.980 76 Y HN 0.068 nan 8.280 nan 0.000 0.499 77 I N -0.473 120.389 120.570 0.487 0.000 2.099 77 I HA -0.339 3.831 4.170 0.001 0.000 0.239 77 I C 2.024 178.443 176.117 0.504 0.000 1.066 77 I CA 0.987 62.642 61.300 0.592 0.000 1.324 77 I CB -0.589 37.730 38.000 0.530 0.000 1.037 77 I HN 0.237 nan 8.210 nan 0.000 0.401 78 L N 0.616 121.909 121.223 0.117 0.000 2.349 78 L HA -0.167 4.173 4.340 0.001 0.000 0.220 78 L C 2.268 178.868 176.870 -0.450 0.000 1.130 78 L CA 2.166 56.750 54.840 -0.426 0.000 0.791 78 L CB -1.784 39.453 42.059 -1.370 0.000 0.918 78 L HN 0.492 nan 8.230 nan 0.000 0.444 79 T N -5.585 108.786 114.554 -0.304 0.000 3.129 79 T HA 0.237 4.588 4.350 0.001 0.000 0.267 79 T C 0.409 174.781 174.700 -0.546 0.000 1.018 79 T CA -0.325 61.467 62.100 -0.514 0.000 0.903 79 T CB -0.031 68.509 68.868 -0.546 0.000 1.067 79 T HN 0.235 nan 8.240 nan 0.000 0.549 80 H N -0.434 118.516 119.070 -0.200 0.000 2.906 80 H HA 0.614 5.171 4.556 0.001 0.000 0.337 80 H C -0.582 174.732 175.328 -0.024 0.000 1.257 80 H CA -1.841 53.992 56.048 -0.359 0.000 1.192 80 H CB 0.534 29.605 29.762 -1.153 0.000 1.912 80 H HN 0.071 nan 8.280 nan 0.000 0.573 81 F N -0.713 119.420 119.950 0.304 0.000 2.985 81 F HA -0.269 4.258 4.527 0.001 0.000 0.303 81 F C 1.524 177.419 175.800 0.157 0.000 0.976 81 F CA 0.499 58.592 58.000 0.156 0.000 1.013 81 F CB -1.018 38.004 39.000 0.036 0.000 1.060 81 F HN 0.533 nan 8.300 nan 0.000 0.780 82 K N 1.155 121.608 120.400 0.088 0.000 2.160 82 K HA -0.137 4.183 4.320 0.001 0.000 0.206 82 K C 2.174 178.801 176.600 0.045 0.000 1.047 82 K CA 1.696 57.888 56.287 -0.159 0.000 0.930 82 K CB -0.416 31.777 32.500 -0.510 0.000 0.720 82 K HN 0.608 nan 8.250 nan 0.000 0.450 83 G N -0.063 108.772 108.800 0.060 0.000 2.403 83 G HA2 -0.151 3.810 3.960 0.001 0.000 0.216 83 G HA3 -0.151 3.810 3.960 0.001 0.000 0.216 83 G C 1.427 176.350 174.900 0.039 0.000 1.154 83 G CA 0.545 45.674 45.100 0.048 0.000 0.784 83 G HN 0.183 nan 8.290 nan 0.000 0.538 84 V N -0.278 119.636 119.914 -0.001 0.000 2.307 84 V HA -0.133 3.987 4.120 0.001 0.000 0.245 84 V C 2.389 178.415 176.094 -0.112 0.000 1.045 84 V CA 1.520 63.734 62.300 -0.142 0.000 1.024 84 V CB -0.584 31.036 31.823 -0.339 0.000 0.651 84 V HN 0.607 nan 8.190 nan 0.000 0.449 85 W N 0.098 121.468 121.300 0.117 0.000 2.421 85 W HA -0.130 4.530 4.660 0.001 0.000 0.270 85 W C 2.358 178.958 176.519 0.136 0.000 1.233 85 W CA 1.145 58.581 57.345 0.151 0.000 1.226 85 W CB -0.357 29.240 29.460 0.228 0.000 1.121 85 W HN 0.289 nan 8.180 nan 0.000 0.579 86 N N 0.521 119.388 118.700 0.277 0.000 2.216 86 N HA -0.117 4.623 4.740 0.001 0.000 0.183 86 N C 1.573 177.174 175.510 0.152 0.000 1.017 86 N CA 1.304 54.467 53.050 0.189 0.000 0.861 86 N CB -0.225 38.330 38.487 0.113 0.000 0.986 86 N HN -0.003 nan 8.380 nan 0.000 0.428 87 I N -0.297 120.337 120.570 0.107 0.000 2.142 87 I HA -0.264 3.906 4.170 0.001 0.000 0.240 87 I C 1.923 178.107 176.117 0.111 0.000 1.078 87 I CA 0.814 62.160 61.300 0.077 0.000 1.343 87 I CB -0.240 37.774 38.000 0.022 0.000 1.046 87 I HN 0.029 nan 8.210 nan 0.000 0.405 88 V N 1.133 121.129 119.914 0.137 0.000 2.332 88 V HA -0.287 3.833 4.120 0.001 0.000 0.248 88 V C 2.015 178.276 176.094 0.279 0.000 1.055 88 V CA 1.914 64.330 62.300 0.194 0.000 1.038 88 V CB -0.842 31.137 31.823 0.259 0.000 0.651 88 V HN 0.467 nan 8.190 nan 0.000 0.450 89 N N 0.517 119.413 118.700 0.327 0.000 2.453 89 N HA -0.076 4.664 4.740 0.001 0.000 0.183 89 N C 1.346 176.969 175.510 0.188 0.000 1.041 89 N CA 0.912 54.135 53.050 0.289 0.000 0.900 89 N CB -0.302 38.340 38.487 0.258 0.000 0.961 89 N HN 0.584 nan 8.380 nan 0.000 0.443 90 N N -0.075 118.719 118.700 0.157 0.000 2.205 90 N HA 0.167 4.907 4.740 0.001 0.000 0.201 90 N C -0.307 175.273 175.510 0.117 0.000 1.128 90 N CA -0.003 53.119 53.050 0.119 0.000 0.867 90 N CB 1.453 39.998 38.487 0.096 0.000 0.996 90 N HN 0.159 nan 8.380 nan 0.000 0.503 91 I N 2.520 123.171 120.570 0.135 0.000 2.307 91 I HA 0.190 4.360 4.170 0.001 0.000 0.287 91 I C -1.543 174.675 176.117 0.167 0.000 1.054 91 I CA -1.954 59.433 61.300 0.145 0.000 1.218 91 I CB 1.733 39.822 38.000 0.148 0.000 1.398 91 I HN -0.275 nan 8.210 nan 0.000 0.475 92 P HA -0.256 nan 4.420 nan 0.000 0.216 92 P C 1.594 179.011 177.300 0.194 0.000 1.154 92 P CA 1.442 64.640 63.100 0.163 0.000 0.865 92 P CB 0.089 31.878 31.700 0.148 0.000 0.789 93 F N -0.096 119.899 119.950 0.075 0.000 2.134 93 F HA -0.146 4.382 4.527 0.001 0.000 0.299 93 F C 1.994 177.839 175.800 0.076 0.000 1.097 93 F CA 1.448 59.488 58.000 0.066 0.000 1.264 93 F CB -1.008 38.023 39.000 0.050 0.000 1.001 93 F HN -0.239 nan 8.300 nan 0.000 0.479 94 L N -0.078 121.062 121.223 -0.139 0.000 2.044 94 L HA -0.126 4.214 4.340 0.001 0.000 0.205 94 L C 2.777 179.602 176.870 -0.075 0.000 1.075 94 L CA 1.338 56.044 54.840 -0.225 0.000 0.747 94 L CB -0.689 41.348 42.059 -0.038 0.000 0.903 94 L HN 0.046 nan 8.230 nan 0.000 0.435 95 R N -0.172 120.386 120.500 0.097 0.000 2.113 95 R HA -0.215 4.125 4.340 0.001 0.000 0.244 95 R C 2.332 178.764 176.300 0.219 0.000 1.142 95 R CA 2.168 58.434 56.100 0.277 0.000 0.953 95 R CB -0.190 30.288 30.300 0.297 0.000 0.860 95 R HN 0.295 nan 8.270 nan 0.000 0.438 96 S N 1.074 116.824 115.700 0.084 0.000 2.356 96 S HA -0.156 4.314 4.470 0.001 0.000 0.223 96 S C 1.868 176.468 174.600 -0.000 0.000 1.032 96 S CA 1.251 59.480 58.200 0.050 0.000 1.005 96 S CB -0.347 62.868 63.200 0.024 0.000 0.867 96 S HN 0.385 nan 8.310 nan 0.000 0.449 97 L N 1.625 122.769 121.223 -0.131 0.000 2.012 97 L HA -0.136 4.204 4.340 0.001 0.000 0.210 97 L C 2.002 178.854 176.870 -0.030 0.000 1.073 97 L CA 1.435 56.191 54.840 -0.140 0.000 0.748 97 L CB -0.346 41.519 42.059 -0.324 0.000 0.891 97 L HN 0.230 nan 8.230 nan 0.000 0.431 98 I N -0.651 119.893 120.570 -0.043 0.000 2.179 98 I HA -0.310 3.860 4.170 0.001 0.000 0.242 98 I C 2.544 178.710 176.117 0.081 0.000 1.088 98 I CA 1.691 62.958 61.300 -0.056 0.000 1.357 98 I CB -0.908 36.846 38.000 -0.411 0.000 1.051 98 I HN 0.469 nan 8.210 nan 0.000 0.409 99 M N 1.076 120.806 119.600 0.217 0.000 2.175 99 M HA -0.191 4.290 4.480 0.001 0.000 0.264 99 M C 2.205 178.590 176.300 0.142 0.000 1.063 99 M CA 1.719 57.191 55.300 0.288 0.000 1.119 99 M CB -0.549 32.230 32.600 0.299 0.000 1.377 99 M HN 0.042 nan 8.290 nan 0.000 0.415 100 K N -1.211 119.250 120.400 0.101 0.000 2.063 100 K HA -0.261 4.059 4.320 0.001 0.000 0.208 100 K C 2.103 178.775 176.600 0.119 0.000 1.048 100 K CA 1.860 58.190 56.287 0.072 0.000 0.928 100 K CB -0.555 31.977 32.500 0.054 0.000 0.713 100 K HN 0.495 nan 8.250 nan 0.000 0.442 101 Y N 1.403 121.722 120.300 0.032 0.000 2.200 101 Y HA -0.181 4.370 4.550 0.001 0.000 0.290 101 Y C 1.912 177.857 175.900 0.075 0.000 1.137 101 Y CA 1.380 59.506 58.100 0.043 0.000 1.163 101 Y CB -0.589 37.883 38.460 0.019 0.000 0.988 101 Y HN 0.003 nan 8.280 nan 0.000 0.518 102 V N -1.046 118.745 119.914 -0.207 0.000 2.392 102 V HA -0.226 3.895 4.120 0.001 0.000 0.249 102 V C 2.030 178.058 176.094 -0.109 0.000 1.059 102 V CA 1.975 64.145 62.300 -0.217 0.000 1.051 102 V CB -0.990 30.849 31.823 0.027 0.000 0.658 102 V HN 0.345 nan 8.190 nan 0.000 0.455 103 L N 1.749 122.953 121.223 -0.032 0.000 2.007 103 L HA -0.021 4.319 4.340 0.001 0.000 0.205 103 L C 3.076 179.959 176.870 0.022 0.000 1.073 103 L CA 2.752 57.585 54.840 -0.012 0.000 0.744 103 L CB -1.406 40.628 42.059 -0.041 0.000 0.898 103 L HN 0.691 nan 8.230 nan 0.000 0.435 104 T N -3.432 111.151 114.554 0.049 0.000 2.821 104 T HA -0.161 4.189 4.350 0.001 0.000 0.267 104 T C 1.890 176.677 174.700 0.145 0.000 1.046 104 T CA 1.230 63.400 62.100 0.116 0.000 1.139 104 T CB -0.889 68.062 68.868 0.139 0.000 0.871 104 T HN 0.357 nan 8.240 nan 0.000 0.454 105 S N 0.685 116.436 115.700 0.086 0.000 2.584 105 S HA 0.072 4.543 4.470 0.001 0.000 0.240 105 S C 1.844 176.519 174.600 0.125 0.000 0.975 105 S CA 0.375 58.655 58.200 0.134 0.000 0.949 105 S CB -0.363 62.784 63.200 -0.089 0.000 0.761 105 S HN 0.582 nan 8.310 nan 0.000 0.536 106 R N -0.366 120.153 120.500 0.033 0.000 2.507 106 R HA 0.315 4.655 4.340 0.001 0.000 0.230 106 R C 2.046 178.263 176.300 -0.137 0.000 0.897 106 R CA 0.641 56.679 56.100 -0.103 0.000 1.006 106 R CB 0.074 30.331 30.300 -0.071 0.000 1.341 106 R HN 0.345 nan 8.270 nan 0.000 0.604 107 S N 0.867 116.580 115.700 0.021 0.000 2.365 107 S HA -0.259 4.211 4.470 0.001 0.000 0.225 107 S C 1.699 176.278 174.600 -0.035 0.000 1.039 107 S CA 1.916 60.139 58.200 0.039 0.000 1.033 107 S CB -0.499 62.798 63.200 0.162 0.000 0.887 107 S HN 0.545 nan 8.310 nan 0.000 0.447 108 Y N 1.397 121.688 120.300 -0.016 0.000 2.365 108 Y HA -0.034 4.517 4.550 0.001 0.000 0.287 108 Y C 1.745 177.593 175.900 -0.086 0.000 1.162 108 Y CA 0.596 58.671 58.100 -0.042 0.000 1.260 108 Y CB -0.545 37.904 38.460 -0.019 0.000 0.976 108 Y HN 0.084 nan 8.280 nan 0.000 0.548 109 L N 0.785 121.547 121.223 -0.767 0.000 2.362 109 L HA 0.018 4.359 4.340 0.001 0.000 0.219 109 L C 0.499 177.097 176.870 -0.454 0.000 1.134 109 L CA 0.669 55.092 54.840 -0.696 0.000 0.807 109 L CB -0.797 40.871 42.059 -0.652 0.000 0.927 109 L HN 0.301 nan 8.230 nan 0.000 0.447 110 I N -0.209 120.194 120.570 -0.279 0.000 2.493 110 I HA 0.212 4.383 4.170 0.001 0.000 0.298 110 I C -0.246 175.803 176.117 -0.112 0.000 0.998 110 I CA -0.957 60.237 61.300 -0.177 0.000 1.137 110 I CB 1.540 39.472 38.000 -0.113 0.000 1.310 110 I HN -0.124 nan 8.210 nan 0.000 0.445 111 D N 3.688 124.047 120.400 -0.068 0.000 2.317 111 D HA 0.340 4.980 4.640 0.001 0.000 0.252 111 D C -0.075 176.191 176.300 -0.057 0.000 1.174 111 D CA 0.378 54.345 54.000 -0.054 0.000 0.866 111 D CB 1.161 41.941 40.800 -0.033 0.000 1.127 111 D HN 0.426 nan 8.370 nan 0.000 0.467 112 S N 2.562 118.214 115.700 -0.079 0.000 2.616 112 S HA 0.402 4.873 4.470 0.001 0.000 0.276 112 S C -2.827 171.717 174.600 -0.093 0.000 1.159 112 S CA -1.228 56.917 58.200 -0.091 0.000 1.000 112 S CB 0.769 63.885 63.200 -0.141 0.000 1.117 112 S HN 0.021 nan 8.310 nan 0.000 0.464 113 P HA 0.254 nan 4.420 nan 0.000 0.266 113 P C -2.428 174.854 177.300 -0.030 0.000 1.193 113 P CA -0.703 62.382 63.100 -0.026 0.000 0.770 113 P CB -0.228 31.441 31.700 -0.051 0.000 0.836 114 P HA 0.045 nan 4.420 nan 0.000 0.274 114 P C 0.081 177.334 177.300 -0.079 0.000 1.260 114 P CA 0.033 63.110 63.100 -0.037 0.000 0.793 114 P CB 0.660 32.321 31.700 -0.066 0.000 1.048 115 T N -3.393 111.070 114.554 -0.151 0.000 3.451 115 T HA 0.199 4.550 4.350 0.001 0.000 0.201 115 T C 0.427 174.892 174.700 -0.392 0.000 0.965 115 T CA 0.054 61.941 62.100 -0.356 0.000 1.088 115 T CB -0.633 67.898 68.868 -0.562 0.000 1.251 115 T HN 0.269 nan 8.240 nan 0.000 0.325 116 Y N 3.418 123.671 120.300 -0.079 0.000 2.458 116 Y HA 0.702 5.252 4.550 0.001 0.000 0.322 116 Y C 0.578 176.388 175.900 -0.150 0.000 1.259 116 Y CA -0.649 57.387 58.100 -0.108 0.000 1.302 116 Y CB 0.768 39.178 38.460 -0.083 0.000 1.314 116 Y HN 0.755 nan 8.280 nan 0.000 0.509 117 N N -2.860 115.833 118.700 -0.012 0.000 2.934 117 N HA 0.131 4.871 4.740 0.001 0.000 0.253 117 N C -0.273 175.139 175.510 -0.164 0.000 1.466 117 N CA -0.711 52.237 53.050 -0.170 0.000 0.858 117 N CB 0.695 38.875 38.487 -0.511 0.000 1.459 117 N HN 0.447 nan 8.380 nan 0.000 0.532 118 V N 0.003 119.795 119.914 -0.204 0.000 2.428 118 V HA -0.279 3.842 4.120 0.001 0.000 0.255 118 V C 0.987 176.968 176.094 -0.188 0.000 1.080 118 V CA 2.209 64.394 62.300 -0.191 0.000 1.083 118 V CB -0.932 30.734 31.823 -0.261 0.000 0.665 118 V HN 0.758 nan 8.190 nan 0.000 0.461 119 H N -3.281 115.727 119.070 -0.104 0.000 2.586 119 H HA 0.285 4.841 4.556 0.001 0.000 0.273 119 H C -0.666 174.323 175.328 -0.564 0.000 0.997 119 H CA -0.102 55.812 56.048 -0.224 0.000 1.177 119 H CB 0.415 30.105 29.762 -0.119 0.000 1.471 119 H HN 0.501 nan 8.280 nan 0.000 0.538 120 Y N -0.365 119.835 120.300 -0.168 0.000 2.327 120 Y HA 0.308 4.859 4.550 0.001 0.000 0.325 120 Y C 0.872 176.645 175.900 -0.212 0.000 0.999 120 Y CA -0.839 57.055 58.100 -0.343 0.000 1.195 120 Y CB 1.956 40.183 38.460 -0.388 0.000 1.132 120 Y HN 0.090 nan 8.280 nan 0.000 0.455 121 G N 2.218 110.916 108.800 -0.170 0.000 3.042 121 G HA2 0.064 4.024 3.960 0.001 0.000 0.212 121 G HA3 0.064 4.024 3.960 0.001 0.000 0.212 121 G C -0.341 174.703 174.900 0.240 0.000 1.166 121 G CA 0.233 45.324 45.100 -0.016 0.000 0.767 121 G HN 0.543 nan 8.290 nan 0.000 0.546 122 Y N -1.599 118.925 120.300 0.372 0.000 2.536 122 Y HA 0.694 5.244 4.550 0.001 0.000 0.347 122 Y C -0.052 175.961 175.900 0.189 0.000 1.000 122 Y CA -2.336 55.957 58.100 0.320 0.000 1.051 122 Y CB 1.090 39.669 38.460 0.198 0.000 1.259 122 Y HN -0.270 nan 8.280 nan 0.000 0.468 123 K N 2.357 122.870 120.400 0.187 0.000 2.447 123 K HA 0.376 4.696 4.320 0.001 0.000 0.281 123 K C -0.308 176.374 176.600 0.136 0.000 1.031 123 K CA 0.194 56.458 56.287 -0.037 0.000 1.019 123 K CB 0.389 32.825 32.500 -0.107 0.000 0.918 123 K HN 0.918 nan 8.250 nan 0.000 0.476 124 S N 1.458 117.157 115.700 -0.001 0.000 2.661 124 S HA 0.244 4.715 4.470 0.001 0.000 0.285 124 S C 0.265 174.865 174.600 0.000 0.000 1.138 124 S CA -1.126 57.105 58.200 0.051 0.000 0.855 124 S CB 0.832 63.991 63.200 -0.068 0.000 1.136 124 S HN 0.877 nan 8.310 nan 0.000 0.484 125 W N 1.015 122.287 121.300 -0.047 0.000 2.402 125 W HA -0.064 4.597 4.660 0.001 0.000 0.286 125 W C 1.578 178.082 176.519 -0.025 0.000 1.221 125 W CA 2.064 59.415 57.345 0.010 0.000 1.257 125 W CB -0.159 29.319 29.460 0.030 0.000 1.120 125 W HN 1.017 nan 8.180 nan 0.000 0.551 126 E N 0.974 121.118 120.200 -0.093 0.000 2.077 126 E HA -0.176 4.175 4.350 0.001 0.000 0.193 126 E C 2.178 178.541 176.600 -0.396 0.000 0.989 126 E CA 2.358 58.626 56.400 -0.220 0.000 0.800 126 E CB -0.625 28.906 29.700 -0.282 0.000 0.746 126 E HN 0.108 nan 8.360 nan 0.000 0.452 127 A N -0.582 121.875 122.820 -0.605 0.000 2.014 127 A HA -0.046 4.275 4.320 0.001 0.000 0.218 127 A C 2.068 179.435 177.584 -0.361 0.000 1.163 127 A CA 1.137 52.863 52.037 -0.519 0.000 0.652 127 A CB -0.708 17.994 19.000 -0.496 0.000 0.808 127 A HN 0.457 nan 8.150 nan 0.000 0.449 128 F N 1.729 121.367 119.950 -0.519 0.000 2.149 128 F HA -0.086 4.441 4.527 0.001 0.000 0.294 128 F C 2.537 177.995 175.800 -0.569 0.000 1.095 128 F CA 1.868 59.528 58.000 -0.567 0.000 1.276 128 F CB -0.345 38.212 39.000 -0.738 0.000 1.023 128 F HN 0.242 nan 8.300 nan 0.000 0.480 129 S N -0.511 114.660 115.700 -0.881 0.000 2.436 129 S HA -0.073 4.398 4.470 0.001 0.000 0.228 129 S C 0.980 175.329 174.600 -0.418 0.000 1.014 129 S CA 0.335 58.073 58.200 -0.771 0.000 0.950 129 S CB -0.768 62.164 63.200 -0.448 0.000 0.784 129 S HN 0.385 nan 8.310 nan 0.000 0.504 130 N N 1.873 120.428 118.700 -0.242 0.000 2.439 130 N HA 0.230 4.971 4.740 0.001 0.000 0.243 130 N C 0.247 175.741 175.510 -0.026 0.000 1.088 130 N CA -0.218 52.809 53.050 -0.038 0.000 0.940 130 N CB 0.283 38.868 38.487 0.164 0.000 1.180 130 N HN 0.345 nan 8.380 nan 0.000 0.505 131 L N 1.707 122.896 121.223 -0.057 0.000 2.622 131 L HA 0.015 4.356 4.340 0.001 0.000 0.233 131 L C 1.559 178.500 176.870 0.118 0.000 1.156 131 L CA 0.227 55.067 54.840 0.000 0.000 0.866 131 L CB -0.090 41.972 42.059 0.006 0.000 0.980 131 L HN 0.392 nan 8.230 nan 0.000 0.448 132 S N -1.763 113.963 115.700 0.044 0.000 2.501 132 S HA 0.057 4.528 4.470 0.001 0.000 0.220 132 S C 0.410 174.978 174.600 -0.054 0.000 0.997 132 S CA 0.067 58.263 58.200 -0.005 0.000 0.919 132 S CB -0.063 63.133 63.200 -0.007 0.000 0.778 132 S HN 0.238 nan 8.310 nan 0.000 0.523 133 Y N 0.651 120.915 120.300 -0.059 0.000 2.304 133 Y HA 0.304 4.854 4.550 0.001 0.000 0.327 133 Y C 0.079 175.885 175.900 -0.156 0.000 1.209 133 Y CA -0.962 56.978 58.100 -0.267 0.000 1.299 133 Y CB 0.317 38.622 38.460 -0.258 0.000 1.249 133 Y HN 0.070 nan 8.280 nan 0.000 0.519 134 Y N 0.863 121.210 120.300 0.078 0.000 2.359 134 Y HA 0.100 4.650 4.550 0.001 0.000 0.330 134 Y C 1.000 176.913 175.900 0.021 0.000 1.143 134 Y CA -0.183 57.968 58.100 0.084 0.000 1.318 134 Y CB 0.534 39.009 38.460 0.026 0.000 1.234 134 Y HN 0.557 nan 8.280 nan 0.000 0.522 135 T N 3.356 118.006 114.554 0.160 0.000 2.732 135 T HA 0.404 4.755 4.350 0.001 0.000 0.287 135 T C -0.248 174.492 174.700 0.067 0.000 0.993 135 T CA -0.602 61.530 62.100 0.053 0.000 0.966 135 T CB 0.324 69.199 68.868 0.013 0.000 1.047 135 T HN 0.476 nan 8.240 nan 0.000 0.527 136 R N 0.498 121.043 120.500 0.076 0.000 2.574 136 R HA 0.537 4.878 4.340 0.001 0.000 0.288 136 R C 0.774 177.175 176.300 0.170 0.000 1.004 136 R CA -0.393 55.755 56.100 0.081 0.000 0.895 136 R CB 1.499 31.815 30.300 0.026 0.000 1.191 136 R HN 0.722 nan 8.270 nan 0.000 0.444 137 A N 3.841 126.805 122.820 0.240 0.000 1.877 137 A HA 0.020 4.340 4.320 0.001 0.000 0.216 137 A C 0.758 178.415 177.584 0.121 0.000 1.186 137 A CA 1.149 53.369 52.037 0.306 0.000 0.620 137 A CB 0.018 19.394 19.000 0.628 0.000 0.822 137 A HN 0.491 nan 8.150 nan 0.000 0.443 138 L N 0.139 121.370 121.223 0.013 0.000 2.354 138 L HA 0.388 4.728 4.340 0.001 0.000 0.269 138 L C -2.375 174.308 176.870 -0.312 0.000 1.005 138 L CA -2.564 52.120 54.840 -0.261 0.000 0.819 138 L CB 2.359 44.086 42.059 -0.554 0.000 1.311 138 L HN 0.096 nan 8.230 nan 0.000 0.423 139 P HA 0.214 nan 4.420 nan 0.000 0.273 139 P C -2.778 174.359 177.300 -0.271 0.000 1.250 139 P CA -1.470 61.322 63.100 -0.513 0.000 0.793 139 P CB -0.143 31.078 31.700 -0.797 0.000 1.011 140 P HA 0.104 nan 4.420 nan 0.000 0.286 140 P C -0.247 177.014 177.300 -0.065 0.000 1.261 140 P CA -0.318 62.736 63.100 -0.076 0.000 0.821 140 P CB 0.553 32.235 31.700 -0.030 0.000 1.013 141 V N 2.337 122.235 119.914 -0.028 0.000 2.644 141 V HA 0.048 4.169 4.120 0.001 0.000 0.305 141 V C 1.281 177.376 176.094 0.003 0.000 1.053 141 V CA 0.395 62.687 62.300 -0.014 0.000 1.186 141 V CB -0.369 31.462 31.823 0.013 0.000 0.895 141 V HN 0.765 nan 8.190 nan 0.000 0.490 142 A N 4.115 126.937 122.820 0.004 0.000 2.425 142 A HA 0.178 4.498 4.320 0.001 0.000 0.242 142 A C 1.117 178.719 177.584 0.031 0.000 1.077 142 A CA -0.331 51.719 52.037 0.022 0.000 0.781 142 A CB 0.036 19.056 19.000 0.033 0.000 1.020 142 A HN 0.899 nan 8.150 nan 0.000 0.494 143 D N 0.584 121.006 120.400 0.038 0.000 2.264 143 D HA -0.120 4.520 4.640 0.001 0.000 0.208 143 D C 0.681 177.004 176.300 0.038 0.000 0.966 143 D CA 1.655 55.679 54.000 0.040 0.000 0.864 143 D CB -0.062 40.764 40.800 0.043 0.000 0.933 143 D HN 0.774 nan 8.370 nan 0.000 0.499 144 D N -0.279 120.144 120.400 0.039 0.000 2.336 144 D HA -0.030 4.610 4.640 0.001 0.000 0.228 144 D C -0.122 176.197 176.300 0.033 0.000 1.120 144 D CA -0.404 53.619 54.000 0.038 0.000 0.839 144 D CB -0.823 40.005 40.800 0.046 0.000 0.932 144 D HN -0.042 nan 8.370 nan 0.000 0.509 145 c N 1.895 120.513 118.600 0.029 0.000 2.452 145 c HA 0.297 4.867 4.570 0.001 0.000 0.379 145 c C -0.476 173.628 174.090 0.024 0.000 1.275 145 c CA -1.152 55.191 56.329 0.023 0.000 2.056 145 c CB 1.496 44.016 42.510 0.017 0.000 2.506 145 c HN 0.268 nan 8.230 nan 0.000 0.560 146 P HA -0.082 nan 4.420 nan 0.000 0.215 146 P C 0.595 177.910 177.300 0.025 0.000 1.153 146 P CA 1.627 64.740 63.100 0.022 0.000 0.853 146 P CB -0.161 31.551 31.700 0.019 0.000 0.788 147 T N -5.712 108.858 114.554 0.027 0.000 2.942 147 T HA 0.459 4.809 4.350 0.001 0.000 0.289 147 T C -2.212 172.512 174.700 0.040 0.000 1.044 147 T CA -2.209 59.912 62.100 0.035 0.000 1.023 147 T CB 2.008 70.899 68.868 0.038 0.000 1.123 147 T HN -0.268 nan 8.240 nan 0.000 0.512 148 P HA -0.032 nan 4.420 nan 0.000 0.216 148 P C 1.748 179.086 177.300 0.063 0.000 1.153 148 P CA 1.121 64.257 63.100 0.060 0.000 0.848 148 P CB -0.023 31.721 31.700 0.074 0.000 0.787 149 M N -2.461 117.178 119.600 0.065 0.000 2.254 149 M HA 0.134 4.615 4.480 0.001 0.000 0.265 149 M C 1.554 177.869 176.300 0.024 0.000 1.066 149 M CA 1.677 57.010 55.300 0.055 0.000 1.123 149 M CB -1.255 31.383 32.600 0.063 0.000 1.388 149 M HN 0.136 nan 8.290 nan 0.000 0.425 150 G N -0.598 108.214 108.800 0.020 0.000 2.313 150 G HA2 -0.058 3.903 3.960 0.001 0.000 0.098 150 G HA3 -0.058 3.903 3.960 0.001 0.000 0.098 150 G C 0.155 175.058 174.900 0.005 0.000 1.736 150 G CA 0.144 45.244 45.100 0.001 0.000 1.073 150 G HN 0.296 nan 8.290 nan 0.000 0.293 151 V N -0.824 119.090 119.914 -0.001 0.000 3.432 151 V HA 0.556 4.677 4.120 0.001 0.000 0.298 151 V C 0.252 176.354 176.094 0.013 0.000 1.464 151 V CA 0.261 62.564 62.300 0.005 0.000 1.046 151 V CB 0.183 32.002 31.823 -0.006 0.000 0.887 151 V HN 0.324 nan 8.190 nan 0.000 0.441 152 K N 1.431 121.843 120.400 0.020 0.000 2.166 152 K HA 0.746 5.066 4.320 0.001 0.000 0.245 152 K C 0.434 177.065 176.600 0.052 0.000 0.967 152 K CA -0.012 56.295 56.287 0.033 0.000 0.863 152 K CB 1.657 34.174 32.500 0.029 0.000 1.107 152 K HN 0.654 nan 8.250 nan 0.000 0.436 153 G N 1.416 110.255 108.800 0.065 0.000 2.746 153 G HA2 -0.220 3.741 3.960 0.001 0.000 0.685 153 G HA3 -0.220 3.741 3.960 0.001 0.000 0.685 153 G C -0.785 174.152 174.900 0.063 0.000 1.350 153 G CA -0.967 44.183 45.100 0.084 0.000 0.837 153 G HN 0.617 nan 8.290 nan 0.000 0.564 154 N N 0.408 119.145 118.700 0.062 0.000 2.307 154 N HA 0.201 4.942 4.740 0.001 0.000 0.230 154 N C 1.777 177.309 175.510 0.038 0.000 1.297 154 N CA -0.038 53.036 53.050 0.040 0.000 0.884 154 N CB 0.415 38.917 38.487 0.026 0.000 1.115 154 N HN 0.555 nan 8.380 nan 0.000 0.436 155 K N 0.777 121.193 120.400 0.027 0.000 2.113 155 K HA -0.084 4.236 4.320 0.001 0.000 0.208 155 K C -0.222 176.394 176.600 0.028 0.000 1.047 155 K CA 1.516 57.818 56.287 0.026 0.000 0.928 155 K CB -0.012 32.500 32.500 0.019 0.000 0.716 155 K HN 0.628 nan 8.250 nan 0.000 0.446 156 E N 0.571 120.785 120.200 0.023 0.000 2.266 156 E HA 0.203 4.554 4.350 0.001 0.000 0.268 156 E C -0.531 176.081 176.600 0.021 0.000 0.879 156 E CA -0.820 55.594 56.400 0.022 0.000 0.762 156 E CB 1.749 31.456 29.700 0.011 0.000 1.199 156 E HN -0.178 nan 8.360 nan 0.000 0.422 157 L N 2.687 123.930 121.223 0.033 0.000 2.479 157 L HA 0.176 4.516 4.340 0.001 0.000 0.270 157 L C -1.718 175.125 176.870 -0.045 0.000 1.236 157 L CA -1.238 53.620 54.840 0.030 0.000 0.823 157 L CB -1.058 41.051 42.059 0.083 0.000 1.098 157 L HN 0.392 nan 8.230 nan 0.000 0.500 158 P HA -0.004 nan 4.420 nan 0.000 0.271 158 P C -0.492 176.740 177.300 -0.113 0.000 1.233 158 P CA -0.425 62.552 63.100 -0.206 0.000 0.789 158 P CB 0.376 31.796 31.700 -0.466 0.000 0.951 159 D N 0.366 120.710 120.400 -0.092 0.000 2.450 159 D HA -0.038 4.602 4.640 0.001 0.000 0.247 159 D C 1.249 177.528 176.300 -0.034 0.000 1.162 159 D CA 0.304 54.275 54.000 -0.049 0.000 0.879 159 D CB 0.825 41.599 40.800 -0.043 0.000 1.163 159 D HN 0.301 nan 8.370 nan 0.000 0.472 160 S N 4.005 119.703 115.700 -0.004 0.000 2.383 160 S HA -0.212 4.258 4.470 0.001 0.000 0.227 160 S C 1.801 176.414 174.600 0.021 0.000 1.026 160 S CA 1.087 59.300 58.200 0.023 0.000 0.981 160 S CB -0.130 63.090 63.200 0.035 0.000 0.818 160 S HN 0.632 nan 8.310 nan 0.000 0.472 161 K N 1.191 121.597 120.400 0.009 0.000 2.113 161 K HA -0.187 4.133 4.320 0.001 0.000 0.208 161 K C 2.155 178.756 176.600 0.002 0.000 1.047 161 K CA 1.786 58.077 56.287 0.007 0.000 0.928 161 K CB -0.252 32.248 32.500 0.000 0.000 0.716 161 K HN 0.418 nan 8.250 nan 0.000 0.446 162 E N -0.113 120.080 120.200 -0.011 0.000 2.072 162 E HA -0.094 4.257 4.350 0.001 0.000 0.190 162 E C 1.804 178.396 176.600 -0.013 0.000 0.982 162 E CA 1.112 57.498 56.400 -0.022 0.000 0.803 162 E CB 0.125 29.798 29.700 -0.045 0.000 0.755 162 E HN 0.154 nan 8.360 nan 0.000 0.453 163 V N 1.180 121.093 119.914 -0.002 0.000 2.343 163 V HA -0.243 3.878 4.120 0.001 0.000 0.247 163 V C 2.390 178.511 176.094 0.044 0.000 1.051 163 V CA 1.528 63.849 62.300 0.035 0.000 1.036 163 V CB -0.551 31.325 31.823 0.088 0.000 0.654 163 V HN 0.378 nan 8.190 nan 0.000 0.451 164 L N -0.072 121.179 121.223 0.045 0.000 1.990 164 L HA -0.263 4.077 4.340 0.001 0.000 0.213 164 L C 2.647 179.534 176.870 0.028 0.000 1.072 164 L CA 2.292 57.160 54.840 0.047 0.000 0.755 164 L CB -0.313 41.774 42.059 0.045 0.000 0.889 164 L HN 0.443 nan 8.230 nan 0.000 0.432 165 E N -0.552 119.657 120.200 0.015 0.000 2.072 165 E HA -0.222 4.128 4.350 0.001 0.000 0.190 165 E C 2.206 178.807 176.600 0.002 0.000 0.982 165 E CA 1.068 57.472 56.400 0.006 0.000 0.803 165 E CB 0.097 29.797 29.700 -0.000 0.000 0.755 165 E HN 0.413 nan 8.360 nan 0.000 0.453 166 K N 0.155 120.554 120.400 -0.002 0.000 2.025 166 K HA -0.101 4.219 4.320 0.001 0.000 0.207 166 K C 2.002 178.600 176.600 -0.004 0.000 1.049 166 K CA 1.628 57.911 56.287 -0.008 0.000 0.933 166 K CB 0.254 32.744 32.500 -0.017 0.000 0.714 166 K HN 0.129 nan 8.250 nan 0.000 0.438 167 V N -2.706 117.211 119.914 0.005 0.000 3.432 167 V HA 0.203 4.324 4.120 0.001 0.000 0.298 167 V C 1.129 177.223 176.094 0.000 0.000 1.464 167 V CA 0.013 62.314 62.300 0.002 0.000 1.046 167 V CB 0.037 31.866 31.823 0.010 0.000 0.887 167 V HN 0.091 nan 8.190 nan 0.000 0.441 168 L N -0.228 121.001 121.223 0.010 0.000 2.433 168 L HA 0.419 4.759 4.340 0.001 0.000 0.200 168 L C 1.059 177.942 176.870 0.021 0.000 1.059 168 L CA 0.157 55.006 54.840 0.014 0.000 0.835 168 L CB 0.112 42.191 42.059 0.034 0.000 1.076 168 L HN 0.185 nan 8.230 nan 0.000 0.481 169 L N 1.016 122.253 121.223 0.023 0.000 2.492 169 L HA 0.016 4.356 4.340 0.001 0.000 0.280 169 L C 0.705 177.585 176.870 0.018 0.000 1.240 169 L CA 0.207 55.060 54.840 0.023 0.000 0.831 169 L CB 0.073 42.141 42.059 0.016 0.000 1.100 169 L HN 0.222 nan 8.230 nan 0.000 0.505 170 R N 1.326 121.842 120.500 0.026 0.000 2.349 170 R HA 0.297 4.638 4.340 0.001 0.000 0.299 170 R C 0.432 176.747 176.300 0.024 0.000 1.027 170 R CA -0.613 55.504 56.100 0.029 0.000 0.958 170 R CB 1.040 31.378 30.300 0.063 0.000 1.047 170 R HN 0.615 nan 8.270 nan 0.000 0.468 171 R N 2.350 122.860 120.500 0.017 0.000 2.064 171 R HA 0.104 4.444 4.340 0.001 0.000 0.210 171 R C 0.166 176.484 176.300 0.031 0.000 1.221 171 R CA 0.471 56.581 56.100 0.016 0.000 1.055 171 R CB -0.167 30.135 30.300 0.004 0.000 0.946 171 R HN 0.694 nan 8.270 nan 0.000 0.459 172 E N 0.692 120.911 120.200 0.030 0.000 2.248 172 E HA 0.195 4.546 4.350 0.001 0.000 0.267 172 E C -1.427 175.217 176.600 0.074 0.000 0.877 172 E CA -0.713 55.719 56.400 0.054 0.000 0.759 172 E CB 1.624 31.340 29.700 0.026 0.000 1.182 172 E HN -0.017 nan 8.360 nan 0.000 0.418 173 F N 4.746 124.683 119.950 -0.023 0.000 2.578 173 F HA 0.258 4.785 4.527 0.001 0.000 0.376 173 F C -0.641 175.139 175.800 -0.032 0.000 1.085 173 F CA 0.114 58.098 58.000 -0.027 0.000 1.260 173 F CB 0.388 39.368 39.000 -0.033 0.000 1.095 173 F HN 0.388 nan 8.300 nan 0.000 0.573 174 I N 8.896 128.959 120.570 -0.846 0.000 2.330 174 I HA 0.315 4.486 4.170 0.001 0.000 0.289 174 I C -2.182 173.312 176.117 -1.039 0.000 1.001 174 I CA -2.107 58.781 61.300 -0.687 0.000 1.193 174 I CB 1.357 39.133 38.000 -0.373 0.000 1.345 174 I HN 0.446 nan 8.210 nan 0.000 0.461 175 P HA 0.127 nan 4.420 nan 0.000 0.286 175 P C -0.941 176.205 177.300 -0.257 0.000 1.261 175 P CA -0.453 62.410 63.100 -0.395 0.000 0.821 175 P CB 1.024 32.685 31.700 -0.064 0.000 1.013 176 D N 3.461 123.746 120.400 -0.191 0.000 2.412 176 D HA 0.008 4.648 4.640 0.001 0.000 0.257 176 D C -1.222 174.979 176.300 -0.165 0.000 1.217 176 D CA -1.605 52.272 54.000 -0.204 0.000 0.897 176 D CB 0.306 40.981 40.800 -0.209 0.000 1.132 176 D HN 0.197 nan 8.370 nan 0.000 0.493 177 P HA -0.065 nan 4.420 nan 0.000 0.245 177 P C 0.451 177.664 177.300 -0.145 0.000 1.212 177 P CA 0.645 63.662 63.100 -0.138 0.000 0.774 177 P CB 0.297 31.917 31.700 -0.134 0.000 0.999 178 Q N -0.503 119.179 119.800 -0.197 0.000 2.365 178 Q HA 0.232 4.572 4.340 0.001 0.000 0.203 178 Q C 0.977 176.912 176.000 -0.109 0.000 0.929 178 Q CA 0.324 56.000 55.803 -0.212 0.000 0.948 178 Q CB -0.221 28.289 28.738 -0.379 0.000 1.043 178 Q HN 0.229 nan 8.270 nan 0.000 0.505 179 G N 1.436 110.190 108.800 -0.077 0.000 2.198 179 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 179 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 179 G C 0.059 174.958 174.900 -0.002 0.000 1.025 179 G CA 0.310 45.400 45.100 -0.017 0.000 0.769 179 G HN 0.299 nan 8.290 nan 0.000 0.507 180 S N 0.379 116.048 115.700 -0.052 0.000 2.569 180 S HA 0.443 4.914 4.470 0.001 0.000 0.274 180 S C 0.697 175.276 174.600 -0.035 0.000 1.353 180 S CA 0.638 58.751 58.200 -0.145 0.000 1.023 180 S CB 0.800 63.812 63.200 -0.313 0.000 0.876 180 S HN 1.123 nan 8.310 nan 0.000 0.540 181 N N 0.073 118.796 118.700 0.038 0.000 2.831 181 N HA 0.370 5.111 4.740 0.001 0.000 0.276 181 N C 0.279 175.890 175.510 0.168 0.000 1.416 181 N CA -0.870 52.247 53.050 0.111 0.000 0.799 181 N CB -0.091 38.464 38.487 0.114 0.000 1.554 181 N HN 0.244 nan 8.380 nan 0.000 0.541 182 M N -0.184 119.477 119.600 0.102 0.000 2.296 182 M HA 0.082 4.562 4.480 0.001 0.000 0.265 182 M C 1.484 177.879 176.300 0.158 0.000 1.064 182 M CA 1.141 56.406 55.300 -0.058 0.000 1.109 182 M CB -1.154 31.238 32.600 -0.347 0.000 1.396 182 M HN 0.542 nan 8.290 nan 0.000 0.430 183 M N -0.990 118.816 119.600 0.343 0.000 2.108 183 M HA -0.196 4.285 4.480 0.001 0.000 0.261 183 M C 2.307 179.029 176.300 0.703 0.000 1.066 183 M CA 1.618 57.237 55.300 0.531 0.000 1.107 183 M CB -1.473 31.361 32.600 0.390 0.000 1.356 183 M HN 0.250 nan 8.290 nan 0.000 0.406 184 F N 0.867 121.069 119.950 0.420 0.000 2.128 184 F HA -0.012 4.515 4.527 0.001 0.000 0.295 184 F C 2.333 178.226 175.800 0.155 0.000 1.100 184 F CA 1.489 59.579 58.000 0.151 0.000 1.260 184 F CB -0.299 38.637 39.000 -0.107 0.000 1.009 184 F HN 0.087 nan 8.300 nan 0.000 0.476 185 A N 0.386 123.332 122.820 0.210 0.000 1.858 185 A HA -0.163 4.158 4.320 0.001 0.000 0.216 185 A C 2.013 179.584 177.584 -0.021 0.000 1.190 185 A CA 1.742 53.803 52.037 0.038 0.000 0.617 185 A CB -1.587 17.387 19.000 -0.045 0.000 0.827 185 A HN 0.418 nan 8.150 nan 0.000 0.443 186 F N -1.356 118.697 119.950 0.172 0.000 2.269 186 F HA -0.079 4.448 4.527 0.001 0.000 0.301 186 F C 1.920 177.848 175.800 0.213 0.000 1.082 186 F CA 0.883 59.000 58.000 0.194 0.000 1.360 186 F CB -0.763 38.369 39.000 0.220 0.000 1.041 186 F HN 0.369 nan 8.300 nan 0.000 0.512 187 F N 0.184 120.247 119.950 0.188 0.000 2.234 187 F HA 0.025 4.552 4.527 0.001 0.000 0.296 187 F C 2.305 178.046 175.800 -0.098 0.000 1.089 187 F CA 0.929 58.806 58.000 -0.206 0.000 1.343 187 F CB -0.407 38.517 39.000 -0.126 0.000 1.040 187 F HN -0.088 nan 8.300 nan 0.000 0.498 188 A N 0.171 123.077 122.820 0.142 0.000 1.851 188 A HA -0.317 4.003 4.320 0.001 0.000 0.216 188 A C 2.220 179.784 177.584 -0.033 0.000 1.195 188 A CA 2.056 54.187 52.037 0.156 0.000 0.622 188 A CB -1.266 17.839 19.000 0.174 0.000 0.831 188 A HN 0.561 nan 8.150 nan 0.000 0.444 189 Q N -1.562 118.221 119.800 -0.029 0.000 2.181 189 Q HA -0.252 4.089 4.340 0.001 0.000 0.205 189 Q C 2.089 177.933 176.000 -0.260 0.000 0.980 189 Q CA 1.737 57.447 55.803 -0.156 0.000 0.862 189 Q CB -0.260 28.421 28.738 -0.095 0.000 0.905 189 Q HN 0.904 nan 8.270 nan 0.000 0.429 190 H N -0.786 118.093 119.070 -0.319 0.000 2.268 190 H HA -0.150 4.407 4.556 0.001 0.000 0.304 190 H C 1.963 177.118 175.328 -0.288 0.000 1.064 190 H CA 1.575 57.377 56.048 -0.410 0.000 1.316 190 H CB -0.343 29.096 29.762 -0.538 0.000 1.386 190 H HN 0.298 nan 8.280 nan 0.000 0.496 191 F N 2.127 121.686 119.950 -0.651 0.000 2.045 191 F HA -0.321 4.206 4.527 0.001 0.000 0.297 191 F C 2.814 178.153 175.800 -0.768 0.000 1.114 191 F CA 2.826 60.437 58.000 -0.648 0.000 1.207 191 F CB -1.013 37.571 39.000 -0.693 0.000 0.964 191 F HN 0.310 nan 8.300 nan 0.000 0.486 192 T N -2.725 111.270 114.554 -0.931 0.000 2.788 192 T HA -0.239 4.111 4.350 0.001 0.000 0.268 192 T C 1.593 175.512 174.700 -1.301 0.000 1.044 192 T CA 1.793 62.978 62.100 -1.525 0.000 1.139 192 T CB -1.007 67.302 68.868 -0.931 0.000 0.867 192 T HN 0.406 nan 8.240 nan 0.000 0.454 193 H N 2.002 120.645 119.070 -0.712 0.000 2.562 193 H HA 0.106 4.662 4.556 0.001 0.000 0.272 193 H C 2.404 177.457 175.328 -0.459 0.000 1.019 193 H CA 0.844 56.660 56.048 -0.388 0.000 1.160 193 H CB -0.340 29.419 29.762 -0.004 0.000 1.334 193 H HN 0.765 nan 8.280 nan 0.000 0.611 194 Q N -0.249 119.159 119.800 -0.654 0.000 2.163 194 Q HA -0.069 4.271 4.340 0.001 0.000 0.198 194 Q C 1.117 176.789 176.000 -0.547 0.000 0.954 194 Q CA 1.112 56.525 55.803 -0.650 0.000 0.851 194 Q CB -0.210 27.966 28.738 -0.937 0.000 0.928 194 Q HN 0.570 nan 8.270 nan 0.000 0.459 195 F N -1.646 117.979 119.950 -0.542 0.000 2.559 195 F HA 0.413 4.941 4.527 0.001 0.000 0.286 195 F C 0.209 175.854 175.800 -0.259 0.000 1.108 195 F CA -1.015 56.709 58.000 -0.460 0.000 1.436 195 F CB 0.039 38.718 39.000 -0.534 0.000 1.130 195 F HN -0.229 nan 8.300 nan 0.000 0.584 196 F N 3.793 123.594 119.950 -0.248 0.000 2.439 196 F HA 0.419 4.947 4.527 0.001 0.000 0.356 196 F C -0.039 175.595 175.800 -0.276 0.000 1.161 196 F CA -1.304 56.577 58.000 -0.199 0.000 1.151 196 F CB 0.137 38.899 39.000 -0.397 0.000 1.222 196 F HN 0.011 nan 8.300 nan 0.000 0.558 197 K N 2.175 122.609 120.400 0.056 0.000 2.865 197 K HA 0.186 4.506 4.320 0.001 0.000 0.215 197 K C -0.508 176.058 176.600 -0.057 0.000 1.120 197 K CA -0.355 55.888 56.287 -0.073 0.000 1.037 197 K CB 1.216 33.631 32.500 -0.141 0.000 1.233 197 K HN 0.329 nan 8.250 nan 0.000 0.577 198 T N 1.510 116.028 114.554 -0.059 0.000 2.888 198 T HA -0.028 4.323 4.350 0.001 0.000 0.301 198 T C 0.036 174.535 174.700 -0.335 0.000 1.001 198 T CA 0.261 62.269 62.100 -0.152 0.000 1.147 198 T CB 0.395 69.115 68.868 -0.248 0.000 0.931 198 T HN 0.280 nan 8.240 nan 0.000 0.541 199 D N 1.900 122.166 120.400 -0.223 0.000 2.453 199 D HA 0.026 4.666 4.640 0.001 0.000 0.223 199 D C 1.186 177.391 176.300 -0.157 0.000 1.183 199 D CA -0.272 53.627 54.000 -0.168 0.000 0.933 199 D CB 0.153 40.877 40.800 -0.127 0.000 1.038 199 D HN 0.557 nan 8.370 nan 0.000 0.513 200 H N 2.451 121.520 119.070 -0.002 0.000 2.521 200 H HA -0.050 4.506 4.556 0.001 0.000 0.286 200 H C 1.393 176.709 175.328 -0.019 0.000 1.034 200 H CA 0.757 56.808 56.048 0.005 0.000 1.278 200 H CB 0.607 30.371 29.762 0.003 0.000 1.386 200 H HN 0.439 nan 8.280 nan 0.000 0.567 201 K N 0.587 121.012 120.400 0.042 0.000 2.025 201 K HA -0.064 4.256 4.320 0.001 0.000 0.207 201 K C 2.347 178.897 176.600 -0.083 0.000 1.049 201 K CA 0.897 57.171 56.287 -0.021 0.000 0.933 201 K CB 0.179 32.649 32.500 -0.050 0.000 0.714 201 K HN 0.199 nan 8.250 nan 0.000 0.438 202 R N -0.105 120.295 120.500 -0.166 0.000 2.080 202 R HA 0.101 4.441 4.340 0.001 0.000 0.222 202 R C 0.980 177.152 176.300 -0.213 0.000 1.107 202 R CA 0.984 56.869 56.100 -0.358 0.000 0.980 202 R CB 0.325 30.197 30.300 -0.714 0.000 0.879 202 R HN 0.309 nan 8.270 nan 0.000 0.439 203 G N -0.331 108.478 108.800 0.015 0.000 2.368 203 G HA2 -0.049 3.911 3.960 0.001 0.000 0.302 203 G HA3 -0.049 3.911 3.960 0.001 0.000 0.302 203 G C -2.531 172.508 174.900 0.231 0.000 1.329 203 G CA -0.776 44.437 45.100 0.188 0.000 0.935 203 G HN -0.209 nan 8.290 nan 0.000 0.590 204 P HA 0.038 nan 4.420 nan 0.000 0.220 204 P C 1.521 178.921 177.300 0.167 0.000 1.148 204 P CA 1.822 64.993 63.100 0.119 0.000 0.803 204 P CB 0.049 31.787 31.700 0.064 0.000 0.782 205 G N -2.096 106.808 108.800 0.173 0.000 3.284 205 G HA2 0.223 4.184 3.960 0.001 0.000 0.236 205 G HA3 0.223 4.184 3.960 0.001 0.000 0.236 205 G C -0.116 174.709 174.900 -0.126 0.000 1.158 205 G CA -0.133 45.026 45.100 0.099 0.000 0.774 205 G HN 0.122 nan 8.290 nan 0.000 0.545 206 F N -0.754 119.200 119.950 0.007 0.000 2.523 206 F HA 0.717 5.245 4.527 0.001 0.000 0.329 206 F C 0.372 175.862 175.800 -0.517 0.000 1.061 206 F CA -0.802 57.036 58.000 -0.271 0.000 0.967 206 F CB 2.476 41.323 39.000 -0.255 0.000 1.218 206 F HN -0.156 nan 8.300 nan 0.000 0.480 207 T N -0.042 114.243 114.554 -0.447 0.000 2.903 207 T HA 0.458 4.809 4.350 0.001 0.000 0.299 207 T C 0.197 174.709 174.700 -0.313 0.000 1.093 207 T CA -0.594 61.148 62.100 -0.596 0.000 1.002 207 T CB 1.337 69.584 68.868 -1.036 0.000 1.127 207 T HN 0.699 nan 8.240 nan 0.000 0.488 208 R N 1.487 121.835 120.500 -0.254 0.000 2.365 208 R HA 0.283 4.624 4.340 0.001 0.000 0.223 208 R C 1.220 177.396 176.300 -0.206 0.000 0.899 208 R CA -0.121 55.863 56.100 -0.193 0.000 1.059 208 R CB 0.644 30.853 30.300 -0.153 0.000 1.086 208 R HN 0.564 nan 8.270 nan 0.000 0.522 209 G N 1.351 109.994 108.800 -0.262 0.000 2.977 209 G HA2 0.181 4.142 3.960 0.001 0.000 0.306 209 G HA3 0.181 4.142 3.960 0.001 0.000 0.306 209 G C 0.634 175.300 174.900 -0.388 0.000 0.885 209 G CA -0.408 44.528 45.100 -0.273 0.000 1.649 209 G HN 0.138 nan 8.290 nan 0.000 0.514 210 L N 1.687 122.761 121.223 -0.248 0.000 2.622 210 L HA 0.046 4.386 4.340 0.001 0.000 0.233 210 L C 2.478 179.323 176.870 -0.042 0.000 1.156 210 L CA 0.679 55.428 54.840 -0.153 0.000 0.866 210 L CB 0.142 42.160 42.059 -0.069 0.000 0.980 210 L HN 0.539 nan 8.230 nan 0.000 0.448 211 G N -2.304 106.440 108.800 -0.094 0.000 2.813 211 G HA2 -0.095 3.865 3.960 0.001 0.000 0.209 211 G HA3 -0.095 3.865 3.960 0.001 0.000 0.209 211 G C 0.453 175.371 174.900 0.030 0.000 1.150 211 G CA -0.321 44.766 45.100 -0.023 0.000 0.785 211 G HN 0.514 nan 8.290 nan 0.000 0.535 212 H N 0.136 119.174 119.070 -0.055 0.000 2.262 212 H HA -0.148 4.409 4.556 0.001 0.000 0.303 212 H C 1.187 176.457 175.328 -0.097 0.000 0.860 212 H CA 1.447 57.463 56.048 -0.054 0.000 1.000 212 H CB -1.209 28.522 29.762 -0.052 0.000 1.584 212 H HN 0.930 nan 8.280 nan 0.000 0.304 213 G N -0.425 108.320 108.800 -0.091 0.000 2.293 213 G HA2 -0.085 3.875 3.960 0.001 0.000 0.282 213 G HA3 -0.085 3.875 3.960 0.001 0.000 0.282 213 G C -0.480 174.367 174.900 -0.089 0.000 1.299 213 G CA -0.399 44.587 45.100 -0.190 0.000 1.018 213 G HN 0.380 nan 8.290 nan 0.000 0.478 214 V N 2.146 122.027 119.914 -0.055 0.000 2.056 214 V HA 0.274 4.395 4.120 0.001 0.000 0.267 214 V C 0.907 176.983 176.094 -0.030 0.000 1.535 214 V CA 0.886 63.182 62.300 -0.007 0.000 1.475 214 V CB 0.153 32.036 31.823 0.099 0.000 1.441 214 V HN 0.766 nan 8.190 nan 0.000 0.500 215 D N 1.543 121.897 120.400 -0.076 0.000 2.339 215 D HA -0.000 4.640 4.640 0.001 0.000 0.217 215 D C 1.013 177.281 176.300 -0.054 0.000 1.050 215 D CA -0.323 53.648 54.000 -0.048 0.000 0.856 215 D CB -0.051 40.725 40.800 -0.040 0.000 0.922 215 D HN 0.353 nan 8.370 nan 0.000 0.518 216 L N 0.476 121.584 121.223 -0.193 0.000 3.737 216 L HA -0.347 3.993 4.340 0.001 0.000 0.418 216 L C 0.889 177.684 176.870 -0.126 0.000 1.216 216 L CA 0.666 55.352 54.840 -0.256 0.000 0.915 216 L CB -2.349 39.743 42.059 0.055 0.000 1.834 216 L HN 0.338 nan 8.230 nan 0.000 0.943 217 N N -0.442 118.126 118.700 -0.220 0.000 2.443 217 N HA -0.197 4.544 4.740 0.001 0.000 0.184 217 N C 1.608 177.052 175.510 -0.110 0.000 1.037 217 N CA 1.488 54.474 53.050 -0.107 0.000 0.896 217 N CB -0.131 38.275 38.487 -0.137 0.000 0.959 217 N HN 0.721 nan 8.380 nan 0.000 0.442 218 H N -1.133 117.800 119.070 -0.228 0.000 2.559 218 H HA 0.174 4.731 4.556 0.001 0.000 0.273 218 H C 1.285 176.509 175.328 -0.173 0.000 1.000 218 H CA 0.593 56.469 56.048 -0.287 0.000 1.195 218 H CB -0.379 29.181 29.762 -0.336 0.000 1.368 218 H HN 0.443 nan 8.280 nan 0.000 0.592 219 I N -1.429 119.197 120.570 0.093 0.000 3.565 219 I HA -0.003 4.167 4.170 0.001 0.000 0.287 219 I C 1.055 177.014 176.117 -0.264 0.000 1.193 219 I CA 0.145 61.334 61.300 -0.185 0.000 1.402 219 I CB 0.149 37.865 38.000 -0.474 0.000 1.284 219 I HN -0.001 nan 8.210 nan 0.000 0.454 220 Y N 1.443 121.795 120.300 0.085 0.000 2.497 220 Y HA 0.475 5.026 4.550 0.001 0.000 0.265 220 Y C 1.284 177.223 175.900 0.065 0.000 1.111 220 Y CA 0.125 58.288 58.100 0.104 0.000 1.288 220 Y CB -0.139 38.412 38.460 0.152 0.000 1.082 220 Y HN 0.133 nan 8.280 nan 0.000 0.536 221 G N 0.410 109.287 108.800 0.128 0.000 2.690 221 G HA2 -0.181 3.780 3.960 0.001 0.000 0.686 221 G HA3 -0.181 3.780 3.960 0.001 0.000 0.686 221 G C 0.247 175.165 174.900 0.029 0.000 1.277 221 G CA -0.259 44.868 45.100 0.046 0.000 0.799 221 G HN 0.056 nan 8.290 nan 0.000 0.613 222 E N -0.298 119.887 120.200 -0.025 0.000 2.021 222 E HA 0.010 4.360 4.350 0.001 0.000 0.189 222 E C 2.079 178.662 176.600 -0.028 0.000 0.980 222 E CA 1.745 58.120 56.400 -0.041 0.000 0.803 222 E CB -0.386 29.270 29.700 -0.074 0.000 0.766 222 E HN 0.948 nan 8.360 nan 0.000 0.449 223 T N -0.567 113.965 114.554 -0.036 0.000 2.828 223 T HA 0.149 4.499 4.350 0.001 0.000 0.290 223 T C 1.562 176.232 174.700 -0.050 0.000 1.019 223 T CA -0.503 61.571 62.100 -0.045 0.000 1.031 223 T CB 1.006 69.842 68.868 -0.053 0.000 1.001 223 T HN 0.002 nan 8.240 nan 0.000 0.531 224 L N -0.000 121.169 121.223 -0.091 0.000 2.109 224 L HA -0.077 4.263 4.340 0.001 0.000 0.207 224 L C 2.610 179.313 176.870 -0.278 0.000 1.086 224 L CA 1.569 56.298 54.840 -0.185 0.000 0.760 224 L CB -0.463 41.457 42.059 -0.231 0.000 0.910 224 L HN 0.873 nan 8.230 nan 0.000 0.437 225 D N 0.066 120.358 120.400 -0.180 0.000 2.106 225 D HA -0.285 4.356 4.640 0.001 0.000 0.191 225 D C 2.173 178.446 176.300 -0.046 0.000 0.997 225 D CA 1.444 55.370 54.000 -0.124 0.000 0.834 225 D CB 0.105 40.864 40.800 -0.069 0.000 0.956 225 D HN 0.232 nan 8.370 nan 0.000 0.448 226 R N 0.604 121.088 120.500 -0.028 0.000 2.081 226 R HA -0.145 4.196 4.340 0.001 0.000 0.235 226 R C 2.461 178.791 176.300 0.050 0.000 1.131 226 R CA 1.447 57.553 56.100 0.010 0.000 0.960 226 R CB -0.216 30.082 30.300 -0.004 0.000 0.856 226 R HN 0.223 nan 8.270 nan 0.000 0.436 227 Q N -0.347 119.485 119.800 0.052 0.000 2.096 227 Q HA -0.235 4.106 4.340 0.001 0.000 0.204 227 Q C 1.698 177.790 176.000 0.154 0.000 0.982 227 Q CA 1.948 57.821 55.803 0.117 0.000 0.850 227 Q CB -0.117 28.701 28.738 0.132 0.000 0.901 227 Q HN 0.676 nan 8.270 nan 0.000 0.422 228 H N -0.425 118.656 119.070 0.019 0.000 2.389 228 H HA -0.045 4.511 4.556 0.001 0.000 0.299 228 H C 2.080 177.476 175.328 0.113 0.000 1.081 228 H CA 0.936 57.045 56.048 0.101 0.000 1.345 228 H CB 0.259 30.151 29.762 0.217 0.000 1.393 228 H HN 0.206 nan 8.280 nan 0.000 0.520 229 K N 0.757 121.278 120.400 0.202 0.000 2.152 229 K HA -0.127 4.193 4.320 0.001 0.000 0.206 229 K C 1.674 178.326 176.600 0.087 0.000 1.048 229 K CA 0.936 57.300 56.287 0.130 0.000 0.933 229 K CB 0.046 32.597 32.500 0.085 0.000 0.721 229 K HN 0.281 nan 8.250 nan 0.000 0.447 230 L N 0.255 121.514 121.223 0.061 0.000 2.592 230 L HA 0.070 4.411 4.340 0.001 0.000 0.227 230 L C 0.538 177.399 176.870 -0.015 0.000 1.127 230 L CA -0.033 54.832 54.840 0.042 0.000 0.884 230 L CB 0.078 42.174 42.059 0.062 0.000 1.065 230 L HN 0.000 nan 8.230 nan 0.000 0.457 231 R N -0.266 120.152 120.500 -0.137 0.000 2.540 231 R HA 0.219 4.560 4.340 0.001 0.000 0.287 231 R C 0.541 176.651 176.300 -0.317 0.000 0.980 231 R CA -0.629 55.247 56.100 -0.373 0.000 0.966 231 R CB 1.914 31.658 30.300 -0.927 0.000 1.106 231 R HN -0.115 nan 8.270 nan 0.000 0.480 232 L N 2.501 123.602 121.223 -0.205 0.000 2.341 232 L HA 0.152 4.492 4.340 0.001 0.000 0.214 232 L C 0.142 177.059 176.870 0.079 0.000 1.115 232 L CA 1.116 55.949 54.840 -0.012 0.000 0.820 232 L CB -0.277 41.829 42.059 0.078 0.000 0.944 232 L HN 0.813 nan 8.230 nan 0.000 0.452 233 F N -0.714 119.228 119.950 -0.013 0.000 3.069 233 F HA -0.332 4.196 4.527 0.001 0.000 0.285 233 F C 0.443 176.254 175.800 0.017 0.000 0.827 233 F CA 0.871 58.852 58.000 -0.032 0.000 1.108 233 F CB -1.891 37.065 39.000 -0.074 0.000 1.252 233 F HN 0.133 nan 8.300 nan 0.000 0.483 234 K N 0.243 120.731 120.400 0.146 0.000 2.397 234 K HA 0.380 4.701 4.320 0.001 0.000 0.253 234 K C 0.097 176.782 176.600 0.142 0.000 0.932 234 K CA -0.844 55.526 56.287 0.139 0.000 0.795 234 K CB 1.644 34.220 32.500 0.128 0.000 1.159 234 K HN -0.011 nan 8.250 nan 0.000 0.424 235 D N 1.330 121.818 120.400 0.147 0.000 2.983 235 D HA -0.204 4.436 4.640 0.001 0.000 0.225 235 D C 0.805 177.220 176.300 0.192 0.000 1.174 235 D CA 1.834 55.931 54.000 0.161 0.000 0.831 235 D CB -1.161 39.726 40.800 0.145 0.000 1.104 235 D HN 1.112 nan 8.370 nan 0.000 0.421 236 G N -0.658 108.264 108.800 0.203 0.000 2.162 236 G HA2 -0.373 3.588 3.960 0.001 0.000 0.260 236 G HA3 -0.373 3.588 3.960 0.001 0.000 0.260 236 G C 0.414 175.579 174.900 0.442 0.000 0.976 236 G CA 0.874 46.154 45.100 0.299 0.000 0.655 236 G HN 0.491 nan 8.290 nan 0.000 0.533 237 K N -0.659 119.924 120.400 0.305 0.000 2.102 237 K HA 0.629 4.950 4.320 0.001 0.000 0.244 237 K C -0.001 176.726 176.600 0.212 0.000 1.021 237 K CA -0.564 55.929 56.287 0.344 0.000 0.913 237 K CB 0.832 33.489 32.500 0.262 0.000 1.062 237 K HN 0.060 nan 8.250 nan 0.000 0.485 238 L N 1.610 122.946 121.223 0.189 0.000 2.322 238 L HA 0.258 4.598 4.340 0.001 0.000 0.279 238 L C 0.348 177.344 176.870 0.210 0.000 1.036 238 L CA -0.152 54.751 54.840 0.105 0.000 0.807 238 L CB 1.035 43.119 42.059 0.042 0.000 1.226 238 L HN 0.390 nan 8.230 nan 0.000 0.433 239 K N 2.369 122.858 120.400 0.148 0.000 2.518 239 K HA 0.204 4.525 4.320 0.001 0.000 0.276 239 K C -1.048 175.730 176.600 0.297 0.000 0.974 239 K CA 0.699 57.086 56.287 0.167 0.000 0.986 239 K CB 0.300 32.846 32.500 0.076 0.000 0.901 239 K HN 0.619 nan 8.250 nan 0.000 0.497 240 Y N -2.158 118.186 120.300 0.074 0.000 2.725 240 Y HA 0.307 4.858 4.550 0.001 0.000 0.333 240 Y C -1.595 174.359 175.900 0.090 0.000 1.242 240 Y CA -1.403 56.753 58.100 0.093 0.000 1.059 240 Y CB 1.112 39.622 38.460 0.084 0.000 1.306 240 Y HN 0.588 nan 8.280 nan 0.000 0.454 241 Q N 0.508 120.425 119.800 0.194 0.000 2.421 241 Q HA 0.779 5.120 4.340 0.001 0.000 0.280 241 Q C -2.099 174.046 176.000 0.242 0.000 1.085 241 Q CA -1.344 54.513 55.803 0.090 0.000 0.807 241 Q CB 3.095 31.880 28.738 0.078 0.000 1.405 241 Q HN 0.588 nan 8.270 nan 0.000 0.419 242 V N 2.859 122.870 119.914 0.162 0.000 2.394 242 V HA 0.501 4.622 4.120 0.001 0.000 0.282 242 V C -0.286 175.911 176.094 0.172 0.000 1.031 242 V CA -0.367 62.040 62.300 0.178 0.000 0.881 242 V CB 0.832 32.734 31.823 0.132 0.000 0.982 242 V HN 0.667 nan 8.190 nan 0.000 0.451 243 I N 3.062 123.786 120.570 0.257 0.000 2.545 243 I HA 0.540 4.710 4.170 0.001 0.000 0.292 243 I C 1.076 177.323 176.117 0.217 0.000 1.040 243 I CA -0.630 60.805 61.300 0.225 0.000 1.068 243 I CB 1.950 40.100 38.000 0.249 0.000 1.251 243 I HN 0.798 nan 8.210 nan 0.000 0.424 244 G N 3.975 112.854 108.800 0.131 0.000 2.321 244 G HA2 -0.189 3.771 3.960 0.001 0.000 0.287 244 G HA3 -0.189 3.771 3.960 0.001 0.000 0.287 244 G C 0.911 175.857 174.900 0.077 0.000 1.018 244 G CA 0.658 45.819 45.100 0.102 0.000 0.855 244 G HN 1.617 nan 8.290 nan 0.000 0.507 245 G N -1.451 107.389 108.800 0.067 0.000 2.338 245 G HA2 -0.064 3.896 3.960 0.001 0.000 0.296 245 G HA3 -0.064 3.896 3.960 0.001 0.000 0.296 245 G C -0.131 174.773 174.900 0.006 0.000 1.040 245 G CA 0.871 45.995 45.100 0.040 0.000 1.004 245 G HN 1.109 nan 8.290 nan 0.000 0.509 246 E N -1.007 119.187 120.200 -0.010 0.000 2.311 246 E HA 0.295 4.646 4.350 0.001 0.000 0.281 246 E C -0.203 176.224 176.600 -0.288 0.000 0.905 246 E CA -0.767 55.530 56.400 -0.171 0.000 0.778 246 E CB 2.266 31.829 29.700 -0.228 0.000 1.240 246 E HN 0.121 nan 8.360 nan 0.000 0.410 247 V N 4.163 123.904 119.914 -0.288 0.000 2.479 247 V HA 0.149 4.270 4.120 0.001 0.000 0.281 247 V C -0.513 175.395 176.094 -0.311 0.000 1.031 247 V CA 0.572 62.776 62.300 -0.159 0.000 1.038 247 V CB -0.511 31.209 31.823 -0.171 0.000 0.981 247 V HN 0.504 nan 8.190 nan 0.000 0.478 248 Y N 4.881 125.273 120.300 0.153 0.000 2.605 248 Y HA 0.485 5.035 4.550 0.001 0.000 0.343 248 Y C -2.217 173.821 175.900 0.230 0.000 1.036 248 Y CA -2.792 55.396 58.100 0.146 0.000 1.065 248 Y CB 2.273 40.866 38.460 0.221 0.000 1.288 248 Y HN 0.422 nan 8.280 nan 0.000 0.481 249 P HA 0.046 nan 4.420 nan 0.000 0.270 249 P C -2.541 174.994 177.300 0.391 0.000 1.223 249 P CA -0.876 62.445 63.100 0.369 0.000 0.785 249 P CB 0.031 31.924 31.700 0.322 0.000 0.923 250 P HA 0.103 nan 4.420 nan 0.000 0.279 250 P C -0.331 177.012 177.300 0.073 0.000 1.282 250 P CA -0.111 63.066 63.100 0.129 0.000 0.788 250 P CB 0.107 31.860 31.700 0.089 0.000 1.139 251 T N -3.355 111.186 114.554 -0.021 0.000 2.847 251 T HA 0.228 4.579 4.350 0.001 0.000 0.279 251 T C 1.391 176.088 174.700 -0.005 0.000 0.984 251 T CA -0.603 61.447 62.100 -0.082 0.000 0.988 251 T CB -0.022 68.766 68.868 -0.134 0.000 1.040 251 T HN 0.063 nan 8.240 nan 0.000 0.528 252 V N 1.206 121.124 119.914 0.006 0.000 2.379 252 V HA -0.055 4.065 4.120 0.001 0.000 0.245 252 V C 2.831 178.929 176.094 0.006 0.000 1.044 252 V CA 1.962 64.285 62.300 0.037 0.000 1.036 252 V CB -0.924 30.950 31.823 0.084 0.000 0.664 252 V HN 1.030 nan 8.190 nan 0.000 0.453 253 K N -0.011 120.375 120.400 -0.023 0.000 2.211 253 K HA -0.276 4.045 4.320 0.001 0.000 0.204 253 K C 1.956 178.544 176.600 -0.020 0.000 1.047 253 K CA 1.897 58.168 56.287 -0.027 0.000 0.935 253 K CB -0.231 32.240 32.500 -0.047 0.000 0.728 253 K HN 0.546 nan 8.250 nan 0.000 0.452 254 D N -0.595 119.793 120.400 -0.019 0.000 2.120 254 D HA -0.092 4.549 4.640 0.001 0.000 0.202 254 D C 1.645 177.950 176.300 0.008 0.000 0.972 254 D CA 1.838 55.832 54.000 -0.010 0.000 0.837 254 D CB 0.234 41.025 40.800 -0.015 0.000 0.989 254 D HN 0.423 nan 8.370 nan 0.000 0.469 255 T N -3.338 111.227 114.554 0.019 0.000 3.034 255 T HA 0.114 4.464 4.350 0.001 0.000 0.248 255 T C 0.953 175.674 174.700 0.034 0.000 1.040 255 T CA 0.335 62.456 62.100 0.034 0.000 1.107 255 T CB 0.610 69.505 68.868 0.046 0.000 0.932 255 T HN 0.015 nan 8.240 nan 0.000 0.474 256 Q N -0.033 119.783 119.800 0.026 0.000 2.459 256 Q HA -0.098 4.242 4.340 0.001 0.000 0.244 256 Q C -0.205 175.807 176.000 0.019 0.000 0.737 256 Q CA 0.714 56.529 55.803 0.020 0.000 1.243 256 Q CB -2.469 26.279 28.738 0.018 0.000 1.302 256 Q HN 0.870 nan 8.270 nan 0.000 0.740 257 V N -0.987 118.942 119.914 0.025 0.000 2.406 257 V HA 0.467 4.588 4.120 0.001 0.000 0.272 257 V C 0.448 176.544 176.094 0.003 0.000 1.043 257 V CA -0.485 61.824 62.300 0.015 0.000 0.915 257 V CB 1.477 33.315 31.823 0.025 0.000 0.988 257 V HN 0.229 nan 8.190 nan 0.000 0.466 258 E N 6.446 126.636 120.200 -0.018 0.000 2.417 258 E HA 0.274 4.624 4.350 0.001 0.000 0.261 258 E C -0.306 176.251 176.600 -0.071 0.000 1.000 258 E CA 0.112 56.490 56.400 -0.035 0.000 0.919 258 E CB 0.662 30.336 29.700 -0.044 0.000 0.955 258 E HN 0.653 nan 8.360 nan 0.000 0.455 259 M N 2.329 121.867 119.600 -0.103 0.000 2.644 259 M HA 0.397 4.877 4.480 0.001 0.000 0.304 259 M C -0.285 175.834 176.300 -0.301 0.000 1.215 259 M CA -0.774 54.375 55.300 -0.252 0.000 0.871 259 M CB 1.680 34.046 32.600 -0.390 0.000 1.740 259 M HN 0.429 nan 8.290 nan 0.000 0.464 260 I N 2.608 122.955 120.570 -0.371 0.000 2.256 260 I HA 0.203 4.374 4.170 0.001 0.000 0.294 260 I C -1.142 174.752 176.117 -0.371 0.000 1.127 260 I CA -0.062 61.076 61.300 -0.270 0.000 1.247 260 I CB -0.253 37.653 38.000 -0.158 0.000 1.460 260 I HN 0.492 nan 8.210 nan 0.000 0.511 261 Y N 6.133 126.384 120.300 -0.082 0.000 2.509 261 Y HA 0.495 5.045 4.550 0.001 0.000 0.341 261 Y C -1.787 173.979 175.900 -0.223 0.000 1.038 261 Y CA -2.349 55.668 58.100 -0.139 0.000 1.089 261 Y CB 1.320 39.720 38.460 -0.100 0.000 1.241 261 Y HN 0.380 nan 8.280 nan 0.000 0.468 262 P HA 0.152 nan 4.420 nan 0.000 0.276 262 P C -2.302 174.808 177.300 -0.316 0.000 1.244 262 P CA -1.655 61.236 63.100 -0.347 0.000 0.801 262 P CB 0.858 32.163 31.700 -0.658 0.000 1.006 263 P HA -0.126 nan 4.420 nan 0.000 0.226 263 P C 1.122 178.364 177.300 -0.098 0.000 1.153 263 P CA 1.330 64.349 63.100 -0.134 0.000 0.777 263 P CB -0.424 31.229 31.700 -0.079 0.000 0.794 264 H N -1.786 117.257 119.070 -0.045 0.000 2.543 264 H HA 0.155 4.711 4.556 0.001 0.000 0.269 264 H C 0.357 175.650 175.328 -0.059 0.000 1.005 264 H CA -0.565 55.458 56.048 -0.041 0.000 1.146 264 H CB -0.077 29.671 29.762 -0.024 0.000 1.353 264 H HN 0.017 nan 8.280 nan 0.000 0.595 265 I N 4.292 124.865 120.570 0.005 0.000 2.395 265 I HA 0.172 4.342 4.170 0.001 0.000 0.289 265 I C -1.918 174.138 176.117 -0.102 0.000 1.023 265 I CA -2.439 58.831 61.300 -0.050 0.000 1.350 265 I CB 1.181 39.044 38.000 -0.229 0.000 1.409 265 I HN 0.148 nan 8.210 nan 0.000 0.507 266 P HA 0.236 nan 4.420 nan 0.000 0.276 266 P C 0.429 177.632 177.300 -0.162 0.000 1.244 266 P CA -0.369 62.666 63.100 -0.109 0.000 0.801 266 P CB 1.151 32.795 31.700 -0.092 0.000 1.006 267 E N 0.874 120.995 120.200 -0.131 0.000 2.097 267 E HA -0.228 4.122 4.350 0.001 0.000 0.196 267 E C 1.461 177.941 176.600 -0.198 0.000 1.000 267 E CA 1.582 57.898 56.400 -0.141 0.000 0.804 267 E CB -0.273 29.370 29.700 -0.096 0.000 0.740 267 E HN 0.552 nan 8.360 nan 0.000 0.454 268 N N 0.557 119.140 118.700 -0.196 0.000 2.571 268 N HA -0.124 4.616 4.740 0.001 0.000 0.189 268 N C 1.111 176.390 175.510 -0.385 0.000 1.154 268 N CA 0.703 53.606 53.050 -0.245 0.000 0.907 268 N CB 0.021 38.405 38.487 -0.172 0.000 0.977 268 N HN 0.233 nan 8.380 nan 0.000 0.449 269 L N -0.691 120.292 121.223 -0.400 0.000 2.858 269 L HA 0.236 4.577 4.340 0.001 0.000 0.251 269 L C -0.032 176.477 176.870 -0.601 0.000 1.149 269 L CA -0.081 54.461 54.840 -0.497 0.000 0.955 269 L CB 0.262 42.171 42.059 -0.251 0.000 1.289 269 L HN 0.025 nan 8.230 nan 0.000 0.542 270 Q N 0.884 120.347 119.800 -0.561 0.000 2.472 270 Q HA 0.254 4.594 4.340 0.001 0.000 0.227 270 Q C -0.922 174.977 176.000 -0.169 0.000 1.156 270 Q CA -0.223 55.283 55.803 -0.495 0.000 0.924 270 Q CB 0.404 28.984 28.738 -0.263 0.000 1.354 270 Q HN 0.074 nan 8.270 nan 0.000 0.525 271 F N 1.052 121.059 119.950 0.095 0.000 2.389 271 F HA 0.389 4.916 4.527 0.001 0.000 0.337 271 F C 0.678 176.601 175.800 0.205 0.000 1.112 271 F CA -0.683 57.398 58.000 0.135 0.000 1.192 271 F CB 0.861 39.922 39.000 0.102 0.000 1.185 271 F HN 0.370 nan 8.300 nan 0.000 0.552 272 A N 2.869 125.873 122.820 0.306 0.000 2.287 272 A HA 0.760 5.080 4.320 0.001 0.000 0.317 272 A C -0.687 177.000 177.584 0.171 0.000 1.220 272 A CA -0.497 51.655 52.037 0.192 0.000 0.835 272 A CB 0.618 19.693 19.000 0.125 0.000 1.180 272 A HN 0.780 nan 8.150 nan 0.000 0.500 273 V N -0.003 119.985 119.914 0.124 0.000 3.156 273 V HA 0.890 5.011 4.120 0.001 0.000 0.310 273 V C 1.108 177.217 176.094 0.023 0.000 1.234 273 V CA 0.008 62.365 62.300 0.095 0.000 1.065 273 V CB 1.013 32.925 31.823 0.149 0.000 1.088 273 V HN 1.030 nan 8.190 nan 0.000 0.451 274 G N -0.826 107.977 108.800 0.004 0.000 2.440 274 G HA2 -0.091 3.870 3.960 0.001 0.000 0.218 274 G HA3 -0.091 3.870 3.960 0.001 0.000 0.218 274 G C 0.738 175.553 174.900 -0.141 0.000 1.154 274 G CA 0.779 45.854 45.100 -0.043 0.000 0.767 274 G HN 0.671 nan 8.290 nan 0.000 0.552 275 Q N 0.609 120.237 119.800 -0.286 0.000 2.368 275 Q HA 0.161 4.501 4.340 0.001 0.000 0.256 275 Q C 1.357 177.105 176.000 -0.419 0.000 0.980 275 Q CA -0.173 55.304 55.803 -0.543 0.000 0.887 275 Q CB 1.483 29.428 28.738 -1.322 0.000 1.221 275 Q HN 0.767 nan 8.270 nan 0.000 0.458 276 E N 1.985 122.020 120.200 -0.275 0.000 2.267 276 E HA -0.158 4.193 4.350 0.001 0.000 0.197 276 E C 1.032 177.516 176.600 -0.194 0.000 0.998 276 E CA 0.966 57.247 56.400 -0.198 0.000 0.830 276 E CB 0.103 29.711 29.700 -0.154 0.000 0.751 276 E HN 0.287 nan 8.360 nan 0.000 0.491 277 V N 0.019 119.820 119.914 -0.188 0.000 3.647 277 V HA 0.015 4.136 4.120 0.001 0.000 0.279 277 V C 0.619 176.799 176.094 0.144 0.000 1.314 277 V CA 0.117 62.392 62.300 -0.040 0.000 1.125 277 V CB -0.478 31.363 31.823 0.030 0.000 0.907 277 V HN 0.225 nan 8.190 nan 0.000 0.434 278 F N 1.014 120.944 119.950 -0.033 0.000 2.748 278 F HA 0.249 4.776 4.527 0.001 0.000 0.299 278 F C 2.252 178.045 175.800 -0.012 0.000 1.154 278 F CA 0.476 58.468 58.000 -0.013 0.000 1.446 278 F CB -1.181 37.822 39.000 0.004 0.000 1.112 278 F HN 0.305 nan 8.300 nan 0.000 0.584 279 G N -0.427 108.465 108.800 0.154 0.000 2.598 279 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 279 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 279 G C 1.592 176.651 174.900 0.265 0.000 1.131 279 G CA 0.169 45.414 45.100 0.241 0.000 0.785 279 G HN 0.350 nan 8.290 nan 0.000 0.539 280 L N 0.169 121.508 121.223 0.194 0.000 2.567 280 L HA 0.247 4.587 4.340 0.001 0.000 0.225 280 L C -0.174 176.751 176.870 0.092 0.000 1.119 280 L CA -0.007 54.993 54.840 0.266 0.000 0.871 280 L CB 0.485 42.730 42.059 0.311 0.000 1.036 280 L HN -0.065 nan 8.230 nan 0.000 0.459 281 V N -0.721 119.177 119.914 -0.026 0.000 2.638 281 V HA 0.262 4.382 4.120 0.001 0.000 0.306 281 V C -1.904 173.964 176.094 -0.377 0.000 1.052 281 V CA -0.945 61.224 62.300 -0.218 0.000 0.885 281 V CB 2.123 33.883 31.823 -0.105 0.000 0.999 281 V HN -0.167 nan 8.190 nan 0.000 0.424 282 P HA -0.008 nan 4.420 nan 0.000 0.226 282 P C 1.475 178.484 177.300 -0.486 0.000 1.153 282 P CA 1.076 63.844 63.100 -0.553 0.000 0.777 282 P CB 0.344 31.658 31.700 -0.644 0.000 0.794 283 G N -0.479 107.875 108.800 -0.744 0.000 2.408 283 G HA2 -0.163 3.797 3.960 0.001 0.000 0.215 283 G HA3 -0.163 3.797 3.960 0.001 0.000 0.215 283 G C 1.290 175.767 174.900 -0.705 0.000 1.156 283 G CA 0.317 44.700 45.100 -1.195 0.000 0.793 283 G HN 0.118 nan 8.290 nan 0.000 0.535 284 L N 0.035 120.930 121.223 -0.546 0.000 2.017 284 L HA 0.110 4.450 4.340 0.001 0.000 0.208 284 L C 2.679 179.263 176.870 -0.477 0.000 1.073 284 L CA 1.484 56.023 54.840 -0.502 0.000 0.745 284 L CB -0.758 40.988 42.059 -0.523 0.000 0.894 284 L HN 0.243 nan 8.230 nan 0.000 0.432 285 M N -1.759 117.614 119.600 -0.377 0.000 2.476 285 M HA -0.133 4.348 4.480 0.001 0.000 0.262 285 M C 2.005 178.079 176.300 -0.377 0.000 1.079 285 M CA 1.227 56.334 55.300 -0.322 0.000 1.104 285 M CB -0.322 32.075 32.600 -0.339 0.000 1.409 285 M HN 0.263 nan 8.290 nan 0.000 0.467 286 M N -1.318 118.019 119.600 -0.438 0.000 2.077 286 M HA -0.214 4.267 4.480 0.001 0.000 0.261 286 M C 1.545 177.594 176.300 -0.417 0.000 1.070 286 M CA 1.889 56.913 55.300 -0.460 0.000 1.125 286 M CB -0.348 31.978 32.600 -0.457 0.000 1.339 286 M HN 0.250 nan 8.290 nan 0.000 0.409 287 Y N 0.665 120.749 120.300 -0.361 0.000 2.181 287 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 287 Y C 2.719 178.420 175.900 -0.331 0.000 1.146 287 Y CA 1.562 59.416 58.100 -0.410 0.000 1.164 287 Y CB -1.274 36.756 38.460 -0.716 0.000 0.982 287 Y HN 0.417 nan 8.280 nan 0.000 0.515 288 A N -0.354 122.327 122.820 -0.232 0.000 1.915 288 A HA -0.303 4.018 4.320 0.001 0.000 0.220 288 A C 2.304 179.907 177.584 0.031 0.000 1.198 288 A CA 2.842 54.872 52.037 -0.012 0.000 0.647 288 A CB -1.320 17.680 19.000 -0.001 0.000 0.825 288 A HN 0.455 nan 8.150 nan 0.000 0.456 289 T N -0.366 114.149 114.554 -0.065 0.000 2.896 289 T HA 0.062 4.413 4.350 0.001 0.000 0.263 289 T C 1.808 176.471 174.700 -0.061 0.000 1.050 289 T CA 1.124 63.194 62.100 -0.051 0.000 1.140 289 T CB -0.318 68.495 68.868 -0.093 0.000 0.877 289 T HN 0.410 nan 8.240 nan 0.000 0.457 290 I N -0.456 120.045 120.570 -0.114 0.000 2.208 290 I HA -0.201 3.969 4.170 0.001 0.000 0.245 290 I C 2.161 178.208 176.117 -0.116 0.000 1.097 290 I CA 1.532 62.735 61.300 -0.162 0.000 1.363 290 I CB -0.231 37.622 38.000 -0.245 0.000 1.051 290 I HN 0.341 nan 8.210 nan 0.000 0.413 291 W N 0.403 121.709 121.300 0.009 0.000 2.418 291 W HA -0.106 4.555 4.660 0.001 0.000 0.292 291 W C 2.464 179.005 176.519 0.037 0.000 1.213 291 W CA 0.529 57.900 57.345 0.044 0.000 1.283 291 W CB -0.206 29.282 29.460 0.047 0.000 1.119 291 W HN 0.094 nan 8.180 nan 0.000 0.542 292 L N 0.647 122.004 121.223 0.223 0.000 2.017 292 L HA -0.217 4.123 4.340 0.001 0.000 0.208 292 L C 2.571 179.514 176.870 0.122 0.000 1.073 292 L CA 1.745 56.668 54.840 0.138 0.000 0.745 292 L CB -0.367 41.746 42.059 0.089 0.000 0.894 292 L HN -0.108 nan 8.230 nan 0.000 0.432 293 R N -0.324 120.202 120.500 0.043 0.000 2.105 293 R HA -0.241 4.099 4.340 0.001 0.000 0.239 293 R C 2.216 178.532 176.300 0.028 0.000 1.135 293 R CA 1.677 57.766 56.100 -0.017 0.000 0.967 293 R CB -0.235 30.013 30.300 -0.086 0.000 0.861 293 R HN 0.403 nan 8.270 nan 0.000 0.442 294 E N -0.487 119.750 120.200 0.060 0.000 2.077 294 E HA -0.245 4.105 4.350 0.001 0.000 0.193 294 E C 1.653 178.356 176.600 0.171 0.000 0.989 294 E CA 1.917 58.368 56.400 0.086 0.000 0.800 294 E CB -0.203 29.546 29.700 0.081 0.000 0.746 294 E HN 0.505 nan 8.360 nan 0.000 0.452 295 H N -0.342 118.827 119.070 0.165 0.000 2.290 295 H HA -0.075 4.482 4.556 0.001 0.000 0.298 295 H C 1.642 177.054 175.328 0.140 0.000 1.087 295 H CA 2.333 58.496 56.048 0.193 0.000 1.291 295 H CB -0.165 29.741 29.762 0.239 0.000 1.369 295 H HN 0.152 nan 8.280 nan 0.000 0.492 296 N N 0.055 118.918 118.700 0.273 0.000 2.244 296 N HA -0.120 4.621 4.740 0.001 0.000 0.183 296 N C 1.919 177.458 175.510 0.048 0.000 1.016 296 N CA 0.894 54.039 53.050 0.159 0.000 0.866 296 N CB -0.282 38.239 38.487 0.057 0.000 0.980 296 N HN 0.360 nan 8.380 nan 0.000 0.430 297 R N 0.532 121.049 120.500 0.029 0.000 2.075 297 R HA -0.019 4.322 4.340 0.001 0.000 0.232 297 R C 1.486 177.794 176.300 0.014 0.000 1.126 297 R CA 0.983 57.088 56.100 0.009 0.000 0.963 297 R CB -0.208 30.092 30.300 -0.001 0.000 0.858 297 R HN 0.036 nan 8.270 nan 0.000 0.435 298 V N 0.142 120.060 119.914 0.008 0.000 2.515 298 V HA -0.271 3.850 4.120 0.001 0.000 0.250 298 V C 2.482 178.575 176.094 -0.002 0.000 1.058 298 V CA 1.399 63.701 62.300 0.004 0.000 1.064 298 V CB -0.365 31.458 31.823 -0.001 0.000 0.675 298 V HN 0.512 nan 8.190 nan 0.000 0.461 299 C N 0.145 119.422 119.300 -0.038 0.000 2.413 299 C HA -0.180 4.280 4.460 0.001 0.000 0.276 299 C C 2.521 177.553 174.990 0.069 0.000 1.248 299 C CA 1.202 60.237 59.018 0.028 0.000 1.742 299 C CB -0.976 26.805 27.740 0.068 0.000 2.017 299 C HN 0.599 nan 8.230 nan 0.000 0.481 300 D N 0.474 120.904 120.400 0.051 0.000 2.144 300 D HA -0.048 4.592 4.640 0.001 0.000 0.200 300 D C 1.929 178.252 176.300 0.040 0.000 0.978 300 D CA 0.994 55.022 54.000 0.047 0.000 0.833 300 D CB -0.359 40.459 40.800 0.031 0.000 0.961 300 D HN 0.457 nan 8.370 nan 0.000 0.470 301 I N 0.413 121.004 120.570 0.035 0.000 2.179 301 I HA -0.239 3.932 4.170 0.001 0.000 0.242 301 I C 2.319 178.458 176.117 0.037 0.000 1.088 301 I CA 0.786 62.104 61.300 0.029 0.000 1.357 301 I CB -0.078 37.941 38.000 0.032 0.000 1.051 301 I HN -0.025 nan 8.210 nan 0.000 0.409 302 L N 0.280 121.551 121.223 0.080 0.000 2.141 302 L HA -0.207 4.134 4.340 0.001 0.000 0.209 302 L C 2.571 179.500 176.870 0.099 0.000 1.094 302 L CA 1.144 56.059 54.840 0.124 0.000 0.763 302 L CB -0.537 41.662 42.059 0.233 0.000 0.908 302 L HN 0.219 nan 8.230 nan 0.000 0.437 303 K N 0.224 120.684 120.400 0.101 0.000 2.026 303 K HA -0.268 4.053 4.320 0.001 0.000 0.208 303 K C 2.187 178.801 176.600 0.022 0.000 1.048 303 K CA 1.694 58.038 56.287 0.095 0.000 0.929 303 K CB -0.024 32.535 32.500 0.098 0.000 0.713 303 K HN 0.258 nan 8.250 nan 0.000 0.439 304 Q N 0.295 120.092 119.800 -0.006 0.000 2.084 304 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 304 Q C 1.684 177.609 176.000 -0.125 0.000 0.978 304 Q CA 1.450 57.226 55.803 -0.046 0.000 0.844 304 Q CB 0.169 28.886 28.738 -0.034 0.000 0.898 304 Q HN 0.256 nan 8.270 nan 0.000 0.426 305 E N -0.255 119.834 120.200 -0.184 0.000 2.204 305 E HA -0.123 4.227 4.350 0.001 0.000 0.195 305 E C 0.160 176.311 176.600 -0.748 0.000 0.990 305 E CA 0.983 57.129 56.400 -0.423 0.000 0.821 305 E CB 0.154 29.599 29.700 -0.426 0.000 0.750 305 E HN 0.470 nan 8.360 nan 0.000 0.477 306 H N -0.481 118.389 119.070 -0.334 0.000 2.439 306 H HA 0.144 4.700 4.556 0.001 0.000 0.228 306 H C -1.861 173.352 175.328 -0.193 0.000 1.423 306 H CA -1.310 54.453 56.048 -0.475 0.000 1.386 306 H CB 1.162 30.179 29.762 -1.242 0.000 1.641 306 H HN 0.018 nan 8.280 nan 0.000 0.508 307 P HA -0.131 nan 4.420 nan 0.000 0.231 307 P C 0.694 178.048 177.300 0.090 0.000 1.158 307 P CA 0.911 64.035 63.100 0.041 0.000 0.763 307 P CB 0.368 32.074 31.700 0.011 0.000 0.805 308 E N -2.335 117.925 120.200 0.099 0.000 2.371 308 E HA -0.051 4.300 4.350 0.001 0.000 0.194 308 E C 0.555 177.346 176.600 0.317 0.000 1.012 308 E CA 0.160 56.661 56.400 0.169 0.000 0.860 308 E CB -0.756 29.037 29.700 0.155 0.000 0.811 308 E HN 0.189 nan 8.360 nan 0.000 0.502 309 W N 1.682 123.035 121.300 0.088 0.000 2.150 309 W HA 0.579 5.239 4.660 0.001 0.000 0.341 309 W C 1.151 177.706 176.519 0.060 0.000 1.276 309 W CA -0.631 56.747 57.345 0.056 0.000 1.238 309 W CB 0.458 29.942 29.460 0.041 0.000 1.128 309 W HN 0.047 nan 8.180 nan 0.000 0.581 310 G N 0.534 109.461 108.800 0.212 0.000 2.671 310 G HA2 0.131 4.092 3.960 0.001 0.000 0.275 310 G HA3 0.131 4.092 3.960 0.001 0.000 0.275 310 G C 0.093 175.073 174.900 0.133 0.000 1.368 310 G CA -0.210 44.973 45.100 0.138 0.000 1.044 310 G HN 0.407 nan 8.290 nan 0.000 0.543 311 D N -1.213 119.258 120.400 0.119 0.000 2.117 311 D HA -0.101 4.539 4.640 0.001 0.000 0.198 311 D C 2.125 178.503 176.300 0.129 0.000 0.982 311 D CA 1.200 55.282 54.000 0.136 0.000 0.828 311 D CB 0.214 41.103 40.800 0.147 0.000 0.967 311 D HN 0.308 nan 8.370 nan 0.000 0.464 312 E N 0.089 120.339 120.200 0.083 0.000 2.028 312 E HA -0.188 4.162 4.350 0.001 0.000 0.191 312 E C 2.022 178.658 176.600 0.061 0.000 0.988 312 E CA 0.716 57.165 56.400 0.082 0.000 0.799 312 E CB -0.265 29.457 29.700 0.037 0.000 0.755 312 E HN 0.475 nan 8.360 nan 0.000 0.447 313 Q N 0.244 119.985 119.800 -0.097 0.000 2.224 313 Q HA -0.071 4.269 4.340 0.001 0.000 0.203 313 Q C 2.341 178.222 176.000 -0.198 0.000 0.970 313 Q CA 0.534 56.139 55.803 -0.330 0.000 0.865 313 Q CB 0.050 28.318 28.738 -0.785 0.000 0.922 313 Q HN 0.203 nan 8.270 nan 0.000 0.445 314 L N -0.403 120.856 121.223 0.061 0.000 2.141 314 L HA -0.131 4.209 4.340 0.001 0.000 0.209 314 L C 2.081 179.066 176.870 0.191 0.000 1.094 314 L CA 0.885 55.859 54.840 0.223 0.000 0.763 314 L CB -0.292 41.927 42.059 0.266 0.000 0.908 314 L HN 0.310 nan 8.230 nan 0.000 0.437 315 F N 0.077 120.064 119.950 0.062 0.000 2.094 315 F HA -0.148 4.379 4.527 0.001 0.000 0.291 315 F C 2.653 178.482 175.800 0.048 0.000 1.109 315 F CA 1.220 59.284 58.000 0.107 0.000 1.221 315 F CB -0.173 38.868 39.000 0.068 0.000 1.014 315 F HN -0.049 nan 8.300 nan 0.000 0.473 316 Q N 0.099 119.914 119.800 0.026 0.000 2.170 316 Q HA -0.136 4.204 4.340 0.001 0.000 0.203 316 Q C 2.124 178.040 176.000 -0.141 0.000 0.976 316 Q CA 2.094 57.826 55.803 -0.119 0.000 0.858 316 Q CB -0.944 27.805 28.738 0.017 0.000 0.907 316 Q HN 0.453 nan 8.270 nan 0.000 0.433 317 T N 0.648 115.155 114.554 -0.078 0.000 2.812 317 T HA -0.048 4.302 4.350 0.001 0.000 0.264 317 T C 2.176 176.908 174.700 0.054 0.000 1.042 317 T CA 1.200 63.314 62.100 0.024 0.000 1.140 317 T CB -0.122 68.807 68.868 0.101 0.000 0.870 317 T HN 0.189 nan 8.240 nan 0.000 0.445 318 S N 1.108 116.789 115.700 -0.031 0.000 2.383 318 S HA -0.141 4.330 4.470 0.001 0.000 0.229 318 S C 2.077 176.659 174.600 -0.030 0.000 1.030 318 S CA 1.146 59.295 58.200 -0.084 0.000 1.002 318 S CB -0.269 62.712 63.200 -0.365 0.000 0.829 318 S HN 0.440 nan 8.310 nan 0.000 0.467 319 R N 0.920 121.311 120.500 -0.182 0.000 2.096 319 R HA 0.007 4.347 4.340 0.001 0.000 0.235 319 R C 2.141 178.463 176.300 0.036 0.000 1.127 319 R CA 1.025 57.017 56.100 -0.179 0.000 0.968 319 R CB -0.336 29.537 30.300 -0.711 0.000 0.861 319 R HN 0.358 nan 8.270 nan 0.000 0.440 320 L N 0.467 121.740 121.223 0.085 0.000 2.046 320 L HA -0.187 4.154 4.340 0.001 0.000 0.208 320 L C 2.437 179.499 176.870 0.320 0.000 1.077 320 L CA 1.277 56.282 54.840 0.274 0.000 0.747 320 L CB -0.344 41.945 42.059 0.384 0.000 0.896 320 L HN 0.279 nan 8.230 nan 0.000 0.432 321 I N -0.546 120.176 120.570 0.254 0.000 2.286 321 I HA -0.303 3.867 4.170 0.001 0.000 0.248 321 I C 2.159 178.377 176.117 0.168 0.000 1.115 321 I CA 1.171 62.564 61.300 0.155 0.000 1.392 321 I CB -0.109 37.978 38.000 0.144 0.000 1.065 321 I HN 0.218 nan 8.210 nan 0.000 0.418 322 L N -0.098 121.257 121.223 0.221 0.000 2.313 322 L HA -0.031 4.309 4.340 0.001 0.000 0.214 322 L C 2.161 179.148 176.870 0.195 0.000 1.119 322 L CA 1.344 56.354 54.840 0.284 0.000 0.809 322 L CB -0.380 41.899 42.059 0.367 0.000 0.933 322 L HN 0.150 nan 8.230 nan 0.000 0.449 323 I N -1.008 119.667 120.570 0.175 0.000 2.286 323 I HA -0.141 4.029 4.170 0.001 0.000 0.245 323 I C 2.507 178.715 176.117 0.152 0.000 1.104 323 I CA 1.181 62.567 61.300 0.144 0.000 1.397 323 I CB -0.844 37.254 38.000 0.164 0.000 1.072 323 I HN 0.304 nan 8.210 nan 0.000 0.417 324 G N 0.589 109.501 108.800 0.187 0.000 2.446 324 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 324 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 324 G C 1.528 176.510 174.900 0.137 0.000 1.168 324 G CA 0.697 45.911 45.100 0.190 0.000 0.771 324 G HN 0.404 nan 8.290 nan 0.000 0.551 325 E N -0.235 120.067 120.200 0.169 0.000 2.047 325 E HA -0.090 4.260 4.350 0.001 0.000 0.191 325 E C 2.822 179.556 176.600 0.223 0.000 0.987 325 E CA 1.367 57.897 56.400 0.217 0.000 0.799 325 E CB -0.279 29.619 29.700 0.330 0.000 0.752 325 E HN 0.315 nan 8.360 nan 0.000 0.449 326 T N 1.786 116.477 114.554 0.228 0.000 2.607 326 T HA -0.191 4.160 4.350 0.001 0.000 0.267 326 T C 2.009 176.690 174.700 -0.032 0.000 1.049 326 T CA 1.252 63.443 62.100 0.152 0.000 1.162 326 T CB -0.325 68.558 68.868 0.025 0.000 0.863 326 T HN 0.114 nan 8.240 nan 0.000 0.424 327 I N 0.886 121.372 120.570 -0.139 0.000 2.208 327 I HA -0.225 3.945 4.170 0.001 0.000 0.245 327 I C 2.589 178.359 176.117 -0.578 0.000 1.097 327 I CA 1.344 62.411 61.300 -0.387 0.000 1.363 327 I CB -0.369 37.295 38.000 -0.560 0.000 1.051 327 I HN 0.180 nan 8.210 nan 0.000 0.413 328 K N 1.882 121.972 120.400 -0.517 0.000 2.032 328 K HA -0.159 4.161 4.320 0.001 0.000 0.209 328 K C 1.823 178.391 176.600 -0.053 0.000 1.048 328 K CA 1.830 57.969 56.287 -0.246 0.000 0.927 328 K CB -0.453 32.085 32.500 0.063 0.000 0.712 328 K HN 0.291 nan 8.250 nan 0.000 0.441 329 I N 0.074 120.649 120.570 0.007 0.000 2.252 329 I HA -0.225 3.945 4.170 0.001 0.000 0.245 329 I C 2.049 178.199 176.117 0.055 0.000 1.102 329 I CA 0.850 62.192 61.300 0.070 0.000 1.385 329 I CB -0.214 37.879 38.000 0.155 0.000 1.064 329 I HN -0.042 nan 8.210 nan 0.000 0.414 330 V N 1.303 121.182 119.914 -0.058 0.000 2.332 330 V HA -0.288 3.832 4.120 0.001 0.000 0.248 330 V C 2.266 178.375 176.094 0.026 0.000 1.055 330 V CA 1.906 64.122 62.300 -0.139 0.000 1.038 330 V CB -0.441 31.087 31.823 -0.491 0.000 0.651 330 V HN 0.355 nan 8.190 nan 0.000 0.450 331 I N -0.662 119.901 120.570 -0.011 0.000 2.406 331 I HA -0.127 4.044 4.170 0.001 0.000 0.249 331 I C 2.312 178.474 176.117 0.076 0.000 1.122 331 I CA 1.414 62.744 61.300 0.049 0.000 1.431 331 I CB -0.190 37.838 38.000 0.048 0.000 1.087 331 I HN 0.329 nan 8.210 nan 0.000 0.424 332 E N -0.103 120.143 120.200 0.077 0.000 2.460 332 E HA -0.045 4.306 4.350 0.001 0.000 0.200 332 E C 0.758 177.413 176.600 0.093 0.000 1.011 332 E CA 0.229 56.670 56.400 0.068 0.000 0.912 332 E CB 0.490 30.229 29.700 0.065 0.000 0.953 332 E HN 0.439 nan 8.360 nan 0.000 0.494 333 D N -0.769 119.727 120.400 0.161 0.000 2.932 333 D HA -0.041 4.600 4.640 0.001 0.000 0.294 333 D C 1.387 177.934 176.300 0.412 0.000 1.119 333 D CA 0.153 54.302 54.000 0.249 0.000 0.980 333 D CB -0.275 40.655 40.800 0.217 0.000 1.361 333 D HN 0.036 nan 8.370 nan 0.000 0.466 334 Y N 2.454 122.884 120.300 0.218 0.000 2.084 334 Y HA -0.199 4.351 4.550 0.001 0.000 0.279 334 Y C 2.307 178.331 175.900 0.208 0.000 1.119 334 Y CA 1.574 59.724 58.100 0.083 0.000 1.101 334 Y CB -0.289 38.115 38.460 -0.092 0.000 0.989 334 Y HN -0.275 nan 8.280 nan 0.000 0.484 335 V N 0.586 120.755 119.914 0.426 0.000 2.490 335 V HA -0.289 3.832 4.120 0.001 0.000 0.250 335 V C 2.212 178.355 176.094 0.082 0.000 1.061 335 V CA 2.002 64.464 62.300 0.269 0.000 1.064 335 V CB -0.779 31.181 31.823 0.229 0.000 0.670 335 V HN 0.440 nan 8.190 nan 0.000 0.461 336 Q N 0.385 120.234 119.800 0.082 0.000 2.096 336 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 336 Q C 2.128 178.116 176.000 -0.021 0.000 0.982 336 Q CA 2.511 58.313 55.803 -0.001 0.000 0.850 336 Q CB -0.482 28.276 28.738 0.034 0.000 0.901 336 Q HN 0.842 nan 8.270 nan 0.000 0.422 337 H N -0.945 118.105 119.070 -0.032 0.000 2.326 337 H HA -0.090 4.467 4.556 0.001 0.000 0.301 337 H C 1.392 176.598 175.328 -0.202 0.000 1.081 337 H CA 1.719 57.706 56.048 -0.102 0.000 1.334 337 H CB -0.228 29.487 29.762 -0.079 0.000 1.385 337 H HN 0.267 nan 8.280 nan 0.000 0.504 338 L N 0.778 121.835 121.223 -0.278 0.000 1.989 338 L HA -0.195 4.146 4.340 0.001 0.000 0.211 338 L C 2.893 179.585 176.870 -0.296 0.000 1.071 338 L CA 2.083 56.738 54.840 -0.308 0.000 0.749 338 L CB -1.667 40.397 42.059 0.008 0.000 0.890 338 L HN 0.590 nan 8.230 nan 0.000 0.431 339 S N -0.830 114.696 115.700 -0.289 0.000 2.374 339 S HA -0.137 4.334 4.470 0.001 0.000 0.227 339 S C 1.880 176.206 174.600 -0.456 0.000 1.037 339 S CA 1.644 59.538 58.200 -0.511 0.000 1.024 339 S CB -0.832 61.875 63.200 -0.821 0.000 0.861 339 S HN 0.647 nan 8.310 nan 0.000 0.456 340 G N -0.584 108.012 108.800 -0.340 0.000 2.241 340 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 340 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 340 G C 0.017 174.797 174.900 -0.199 0.000 0.998 340 G CA 0.245 45.195 45.100 -0.249 0.000 0.621 340 G HN 0.507 nan 8.290 nan 0.000 0.519 341 Y N 0.833 120.938 120.300 -0.325 0.000 2.578 341 Y HA 0.389 4.940 4.550 0.001 0.000 0.339 341 Y C 1.818 177.498 175.900 -0.367 0.000 1.231 341 Y CA 0.300 58.162 58.100 -0.397 0.000 1.461 341 Y CB 0.135 38.421 38.460 -0.289 0.000 1.323 341 Y HN 0.331 nan 8.280 nan 0.000 0.590 342 H N 0.853 119.835 119.070 -0.147 0.000 2.497 342 H HA -0.012 4.544 4.556 0.001 0.000 0.282 342 H C 0.200 175.479 175.328 -0.081 0.000 1.003 342 H CA -0.129 55.866 56.048 -0.087 0.000 1.307 342 H CB 0.145 29.923 29.762 0.027 0.000 1.437 342 H HN 0.400 nan 8.280 nan 0.000 0.544 343 F N 2.981 122.654 119.950 -0.461 0.000 2.572 343 F HA 0.064 4.591 4.527 0.001 0.000 0.370 343 F C 0.403 176.152 175.800 -0.084 0.000 1.103 343 F CA -0.584 57.196 58.000 -0.366 0.000 1.286 343 F CB 0.384 38.866 39.000 -0.864 0.000 1.105 343 F HN -0.182 nan 8.300 nan 0.000 0.583 344 K N 7.569 127.610 120.400 -0.599 0.000 2.285 344 K HA 0.356 4.677 4.320 0.001 0.000 0.286 344 K C -0.593 175.387 176.600 -1.035 0.000 1.072 344 K CA -0.505 55.437 56.287 -0.574 0.000 0.913 344 K CB 0.361 32.739 32.500 -0.204 0.000 1.067 344 K HN 0.723 nan 8.250 nan 0.000 0.479 345 L N 3.273 124.090 121.223 -0.676 0.000 2.473 345 L HA 0.224 4.565 4.340 0.001 0.000 0.268 345 L C 0.181 176.933 176.870 -0.196 0.000 1.215 345 L CA 0.095 54.675 54.840 -0.432 0.000 0.823 345 L CB 0.387 42.345 42.059 -0.170 0.000 1.099 345 L HN 0.575 nan 8.230 nan 0.000 0.483 346 K N 1.165 121.532 120.400 -0.056 0.000 2.482 346 K HA 0.344 4.664 4.320 0.001 0.000 0.251 346 K C -1.474 175.188 176.600 0.103 0.000 0.936 346 K CA -0.659 55.644 56.287 0.026 0.000 0.791 346 K CB 1.515 34.028 32.500 0.023 0.000 1.213 346 K HN 0.296 nan 8.250 nan 0.000 0.428 347 F N 4.753 124.687 119.950 -0.027 0.000 2.375 347 F HA 0.368 4.895 4.527 0.001 0.000 0.362 347 F C -0.946 174.819 175.800 -0.059 0.000 1.129 347 F CA -0.512 57.460 58.000 -0.048 0.000 1.154 347 F CB 0.678 39.665 39.000 -0.022 0.000 1.205 347 F HN 0.565 nan 8.300 nan 0.000 0.513 348 D N 8.190 128.260 120.400 -0.549 0.000 2.362 348 D HA 0.259 4.900 4.640 0.001 0.000 0.232 348 D C -2.452 173.478 176.300 -0.617 0.000 1.329 348 D CA -1.599 52.071 54.000 -0.550 0.000 0.944 348 D CB 1.558 42.231 40.800 -0.211 0.000 1.471 348 D HN 0.185 nan 8.370 nan 0.000 0.533 349 P HA -0.107 nan 4.420 nan 0.000 0.220 349 P C 1.023 177.847 177.300 -0.792 0.000 1.144 349 P CA 0.839 63.479 63.100 -0.767 0.000 0.800 349 P CB 0.369 31.420 31.700 -1.081 0.000 0.772 350 E N -0.512 119.170 120.200 -0.862 0.000 2.204 350 E HA -0.132 4.219 4.350 0.001 0.000 0.195 350 E C 1.758 177.930 176.600 -0.714 0.000 0.990 350 E CA 0.714 56.401 56.400 -1.189 0.000 0.821 350 E CB -0.482 28.918 29.700 -0.501 0.000 0.750 350 E HN 0.349 nan 8.360 nan 0.000 0.477 351 L N 0.300 121.283 121.223 -0.400 0.000 2.353 351 L HA -0.152 4.188 4.340 0.001 0.000 0.220 351 L C 1.973 178.763 176.870 -0.135 0.000 1.133 351 L CA 0.734 55.456 54.840 -0.197 0.000 0.798 351 L CB -0.198 41.783 42.059 -0.129 0.000 0.922 351 L HN 0.169 nan 8.230 nan 0.000 0.445 352 L N -2.218 118.906 121.223 -0.165 0.000 2.693 352 L HA 0.099 4.439 4.340 0.001 0.000 0.235 352 L C 1.903 178.948 176.870 0.292 0.000 1.127 352 L CA -0.113 54.732 54.840 0.008 0.000 0.914 352 L CB -0.039 41.934 42.059 -0.143 0.000 1.193 352 L HN 0.155 nan 8.230 nan 0.000 0.502 353 F N 1.259 121.277 119.950 0.113 0.000 2.293 353 F HA -0.139 4.388 4.527 0.001 0.000 0.300 353 F C 2.102 177.982 175.800 0.133 0.000 1.086 353 F CA 0.488 58.578 58.000 0.150 0.000 1.375 353 F CB 0.010 39.087 39.000 0.129 0.000 1.045 353 F HN 0.383 nan 8.300 nan 0.000 0.516 354 N N -0.083 118.787 118.700 0.283 0.000 2.230 354 N HA 0.008 4.749 4.740 0.001 0.000 0.202 354 N C 0.066 175.671 175.510 0.158 0.000 1.119 354 N CA 0.073 53.240 53.050 0.194 0.000 0.851 354 N CB -0.002 38.578 38.487 0.155 0.000 0.990 354 N HN 0.218 nan 8.380 nan 0.000 0.497 355 Q N 0.258 120.162 119.800 0.174 0.000 2.286 355 Q HA 0.386 4.727 4.340 0.001 0.000 0.250 355 Q C -0.809 175.292 176.000 0.168 0.000 1.021 355 Q CA -0.445 55.448 55.803 0.150 0.000 0.930 355 Q CB 1.196 30.013 28.738 0.133 0.000 1.266 355 Q HN 0.191 nan 8.270 nan 0.000 0.491 356 Q N 1.033 120.923 119.800 0.150 0.000 2.655 356 Q HA 0.318 4.659 4.340 0.001 0.000 0.228 356 Q C -1.389 174.698 176.000 0.144 0.000 1.186 356 Q CA -0.194 55.686 55.803 0.128 0.000 1.004 356 Q CB 0.311 29.099 28.738 0.084 0.000 1.242 356 Q HN 0.330 nan 8.270 nan 0.000 0.558 357 F N 1.663 121.583 119.950 -0.050 0.000 2.482 357 F HA 0.273 4.801 4.527 0.001 0.000 0.331 357 F C -0.352 175.297 175.800 -0.251 0.000 1.115 357 F CA -0.809 57.077 58.000 -0.189 0.000 0.955 357 F CB 1.511 40.313 39.000 -0.329 0.000 1.136 357 F HN 0.168 nan 8.300 nan 0.000 0.452 358 Q N 6.330 125.693 119.800 -0.729 0.000 2.406 358 Q HA 0.094 4.435 4.340 0.001 0.000 0.242 358 Q C -1.215 174.441 176.000 -0.574 0.000 1.036 358 Q CA -0.192 55.326 55.803 -0.474 0.000 0.904 358 Q CB 0.390 28.918 28.738 -0.350 0.000 1.244 358 Q HN 0.638 nan 8.270 nan 0.000 0.478 359 Y N 3.259 123.543 120.300 -0.026 0.000 2.601 359 Y HA -0.004 4.547 4.550 0.001 0.000 0.350 359 Y C 0.990 176.895 175.900 0.008 0.000 1.230 359 Y CA 0.301 58.461 58.100 0.100 0.000 1.733 359 Y CB 0.061 38.622 38.460 0.168 0.000 1.497 359 Y HN 0.457 nan 8.280 nan 0.000 0.472 360 Q N 1.622 121.441 119.800 0.032 0.000 2.903 360 Q HA 0.372 4.713 4.340 0.001 0.000 0.277 360 Q C -2.296 173.678 176.000 -0.043 0.000 0.933 360 Q CA -1.091 54.714 55.803 0.003 0.000 0.822 360 Q CB 1.469 30.200 28.738 -0.012 0.000 1.693 360 Q HN 0.444 nan 8.270 nan 0.000 0.447 361 N N 0.161 118.841 118.700 -0.032 0.000 2.598 361 N HA 0.666 5.407 4.740 0.001 0.000 0.263 361 N C -2.229 173.243 175.510 -0.063 0.000 1.254 361 N CA -0.469 52.559 53.050 -0.037 0.000 0.863 361 N CB 2.527 41.007 38.487 -0.011 0.000 1.586 361 N HN 0.694 nan 8.380 nan 0.000 0.491 362 R N 2.629 123.093 120.500 -0.060 0.000 2.522 362 R HA 0.497 4.837 4.340 0.001 0.000 0.283 362 R C -1.133 175.211 176.300 0.073 0.000 1.074 362 R CA -0.571 55.455 56.100 -0.122 0.000 0.925 362 R CB 0.660 30.804 30.300 -0.259 0.000 1.205 362 R HN 0.518 nan 8.270 nan 0.000 0.436 363 I N 3.741 124.506 120.570 0.326 0.000 2.587 363 I HA 0.167 4.338 4.170 0.001 0.000 0.284 363 I C 0.564 176.853 176.117 0.286 0.000 1.134 363 I CA 0.269 61.778 61.300 0.347 0.000 1.410 363 I CB 0.493 38.791 38.000 0.496 0.000 1.392 363 I HN 0.739 nan 8.210 nan 0.000 0.545 364 A N 4.999 127.868 122.820 0.082 0.000 2.331 364 A HA 0.273 4.594 4.320 0.001 0.000 0.283 364 A C 1.296 178.782 177.584 -0.162 0.000 1.142 364 A CA -0.185 51.804 52.037 -0.080 0.000 0.812 364 A CB 0.767 19.538 19.000 -0.381 0.000 1.074 364 A HN 0.795 nan 8.150 nan 0.000 0.497 365 S N 1.003 116.622 115.700 -0.134 0.000 2.374 365 S HA -0.187 4.284 4.470 0.001 0.000 0.227 365 S C 1.596 176.061 174.600 -0.225 0.000 1.037 365 S CA 2.364 60.412 58.200 -0.254 0.000 1.024 365 S CB -0.340 62.841 63.200 -0.033 0.000 0.861 365 S HN 0.798 nan 8.310 nan 0.000 0.456 366 E N -0.105 119.978 120.200 -0.195 0.000 2.268 366 E HA -0.026 4.324 4.350 0.001 0.000 0.195 366 E C 1.503 177.992 176.600 -0.185 0.000 0.995 366 E CA 0.735 57.043 56.400 -0.154 0.000 0.836 366 E CB -0.235 29.385 29.700 -0.133 0.000 0.763 366 E HN 0.565 nan 8.360 nan 0.000 0.491 367 F N 1.653 121.233 119.950 -0.617 0.000 2.206 367 F HA -0.058 4.470 4.527 0.001 0.000 0.298 367 F C 1.876 177.517 175.800 -0.264 0.000 1.090 367 F CA 1.047 58.819 58.000 -0.379 0.000 1.323 367 F CB -0.371 38.382 39.000 -0.412 0.000 1.028 367 F HN 0.034 nan 8.300 nan 0.000 0.492 368 N N -0.376 117.922 118.700 -0.671 0.000 2.084 368 N HA -0.176 4.564 4.740 0.001 0.000 0.190 368 N C 1.666 176.734 175.510 -0.737 0.000 1.030 368 N CA 2.126 54.329 53.050 -1.413 0.000 0.849 368 N CB -0.249 37.452 38.487 -1.310 0.000 1.012 368 N HN 0.242 nan 8.380 nan 0.000 0.423 369 T N 2.083 116.317 114.554 -0.533 0.000 2.684 369 T HA -0.141 4.210 4.350 0.001 0.000 0.267 369 T C 1.867 176.378 174.700 -0.315 0.000 1.036 369 T CA 1.550 63.306 62.100 -0.573 0.000 1.148 369 T CB -0.296 68.365 68.868 -0.346 0.000 0.863 369 T HN 0.398 nan 8.240 nan 0.000 0.436 370 L N -1.341 119.828 121.223 -0.090 0.000 2.465 370 L HA 0.206 4.546 4.340 0.001 0.000 0.224 370 L C 1.462 178.400 176.870 0.114 0.000 1.145 370 L CA 1.250 56.147 54.840 0.094 0.000 0.834 370 L CB -1.040 41.087 42.059 0.113 0.000 0.944 370 L HN 0.191 nan 8.230 nan 0.000 0.451 371 Y N 0.240 120.426 120.300 -0.191 0.000 2.645 371 Y HA 0.248 4.798 4.550 0.001 0.000 0.307 371 Y C 0.509 176.165 175.900 -0.407 0.000 1.151 371 Y CA -0.365 57.367 58.100 -0.614 0.000 1.291 371 Y CB -0.207 37.912 38.460 -0.567 0.000 1.135 371 Y HN 0.307 nan 8.280 nan 0.000 0.523 372 H N -0.003 119.043 119.070 -0.039 0.000 2.680 372 H HA -0.012 4.545 4.556 0.001 0.000 0.224 372 H C -0.558 174.898 175.328 0.213 0.000 1.866 372 H CA -0.445 55.609 56.048 0.010 0.000 1.302 372 H CB -0.153 29.703 29.762 0.157 0.000 1.709 372 H HN 0.432 nan 8.280 nan 0.000 0.537 373 W N 1.284 122.618 121.300 0.056 0.000 2.666 373 W HA 0.103 4.763 4.660 0.001 0.000 0.445 373 W C 0.620 177.182 176.519 0.071 0.000 0.693 373 W CA -0.763 56.662 57.345 0.133 0.000 2.192 373 W CB -1.338 28.271 29.460 0.250 0.000 1.086 373 W HN 0.634 nan 8.180 nan 0.000 0.747 374 H N 0.354 119.680 119.070 0.427 0.000 2.491 374 H HA -0.077 4.480 4.556 0.001 0.000 0.290 374 H C -0.584 174.901 175.328 0.262 0.000 1.050 374 H CA 1.068 57.303 56.048 0.312 0.000 1.309 374 H CB -0.967 28.958 29.762 0.271 0.000 1.392 374 H HN 0.006 nan 8.280 nan 0.000 0.554 375 P HA -0.092 nan 4.420 nan 0.000 0.239 375 P C 0.858 178.268 177.300 0.184 0.000 1.184 375 P CA 0.883 64.108 63.100 0.208 0.000 0.760 375 P CB 0.022 31.794 31.700 0.119 0.000 0.884 376 L N -1.738 119.618 121.223 0.222 0.000 2.156 376 L HA -0.064 4.276 4.340 0.001 0.000 0.208 376 L C 1.211 178.197 176.870 0.193 0.000 1.095 376 L CA 0.517 55.472 54.840 0.192 0.000 0.770 376 L CB -0.551 41.650 42.059 0.238 0.000 0.914 376 L HN -0.013 nan 8.230 nan 0.000 0.439 377 L N 1.708 123.063 121.223 0.219 0.000 2.453 377 L HA 0.126 4.467 4.340 0.001 0.000 0.272 377 L C -1.854 175.081 176.870 0.109 0.000 1.182 377 L CA -1.571 53.369 54.840 0.166 0.000 0.858 377 L CB 0.193 42.459 42.059 0.345 0.000 1.120 377 L HN -0.096 nan 8.230 nan 0.000 0.474 378 P HA 0.115 nan 4.420 nan 0.000 0.278 378 P C -0.454 176.622 177.300 -0.372 0.000 1.258 378 P CA -0.511 62.334 63.100 -0.425 0.000 0.811 378 P CB 1.112 32.432 31.700 -0.633 0.000 1.063 379 D N -0.841 119.365 120.400 -0.324 0.000 2.144 379 D HA -0.047 4.593 4.640 0.001 0.000 0.200 379 D C 1.073 177.260 176.300 -0.187 0.000 0.978 379 D CA 1.683 55.622 54.000 -0.102 0.000 0.833 379 D CB -0.076 40.664 40.800 -0.100 0.000 0.961 379 D HN 0.544 nan 8.370 nan 0.000 0.470 380 T N -2.656 111.634 114.554 -0.440 0.000 2.887 380 T HA 0.606 4.957 4.350 0.001 0.000 0.292 380 T C -0.854 173.386 174.700 -0.766 0.000 1.087 380 T CA -0.938 60.889 62.100 -0.453 0.000 1.009 380 T CB 1.538 70.290 68.868 -0.194 0.000 1.203 380 T HN -0.187 nan 8.240 nan 0.000 0.518 381 F N 1.586 121.382 119.950 -0.258 0.000 2.427 381 F HA 0.487 5.015 4.527 0.001 0.000 0.348 381 F C 0.135 175.881 175.800 -0.090 0.000 1.125 381 F CA -1.057 56.768 58.000 -0.291 0.000 0.989 381 F CB 1.523 40.002 39.000 -0.867 0.000 1.165 381 F HN 0.436 nan 8.300 nan 0.000 0.442 382 N N 5.330 124.078 118.700 0.080 0.000 2.699 382 N HA 0.398 5.139 4.740 0.001 0.000 0.232 382 N C -0.876 174.557 175.510 -0.129 0.000 1.027 382 N CA -0.158 52.865 53.050 -0.045 0.000 0.920 382 N CB 1.065 39.505 38.487 -0.077 0.000 1.148 382 N HN 0.501 nan 8.380 nan 0.000 0.509 383 I N 0.684 121.130 120.570 -0.208 0.000 2.355 383 I HA 0.161 4.331 4.170 0.001 0.000 0.288 383 I C 1.130 176.974 176.117 -0.455 0.000 0.999 383 I CA -0.409 60.608 61.300 -0.471 0.000 1.163 383 I CB 1.015 38.611 38.000 -0.674 0.000 1.316 383 I HN 0.496 nan 8.210 nan 0.000 0.454 384 E N 3.558 123.528 120.200 -0.383 0.000 3.211 384 E HA -0.320 4.030 4.350 0.001 0.000 0.393 384 E C 0.021 176.526 176.600 -0.159 0.000 1.515 384 E CA 2.080 58.336 56.400 -0.240 0.000 1.385 384 E CB -0.460 29.099 29.700 -0.234 0.000 1.616 384 E HN 0.754 nan 8.360 nan 0.000 0.489 385 D N 0.831 121.168 120.400 -0.105 0.000 2.340 385 D HA 0.071 4.712 4.640 0.001 0.000 0.217 385 D C -0.194 176.031 176.300 -0.126 0.000 1.081 385 D CA 0.480 54.428 54.000 -0.087 0.000 0.842 385 D CB 0.192 40.966 40.800 -0.043 0.000 0.934 385 D HN 0.111 nan 8.370 nan 0.000 0.511 386 Q N 0.240 119.921 119.800 -0.199 0.000 2.215 386 Q HA 0.431 4.771 4.340 0.001 0.000 0.256 386 Q C -0.270 175.513 176.000 -0.362 0.000 0.972 386 Q CA -0.285 55.306 55.803 -0.354 0.000 0.889 386 Q CB 1.736 30.069 28.738 -0.675 0.000 1.281 386 Q HN 0.058 nan 8.270 nan 0.000 0.456 387 E N 1.527 121.513 120.200 -0.357 0.000 2.437 387 E HA 0.262 4.612 4.350 0.001 0.000 0.238 387 E C -1.163 175.329 176.600 -0.180 0.000 0.969 387 E CA -0.244 56.021 56.400 -0.224 0.000 0.759 387 E CB 0.752 30.368 29.700 -0.139 0.000 1.283 387 E HN 0.358 nan 8.360 nan 0.000 0.416 388 Y N 1.109 121.449 120.300 0.068 0.000 2.319 388 Y HA 0.101 4.652 4.550 0.001 0.000 0.328 388 Y C 1.262 177.255 175.900 0.155 0.000 1.133 388 Y CA -0.516 57.673 58.100 0.149 0.000 1.265 388 Y CB 0.914 39.540 38.460 0.276 0.000 1.218 388 Y HN 0.319 nan 8.280 nan 0.000 0.508 389 S N 1.363 117.267 115.700 0.341 0.000 2.645 389 S HA 0.232 4.703 4.470 0.001 0.000 0.266 389 S C 0.782 175.632 174.600 0.417 0.000 1.258 389 S CA -0.620 57.766 58.200 0.308 0.000 0.990 389 S CB 0.418 63.768 63.200 0.250 0.000 0.967 389 S HN 0.556 nan 8.310 nan 0.000 0.556 390 F N 0.974 121.112 119.950 0.314 0.000 2.120 390 F HA -0.048 4.479 4.527 0.001 0.000 0.300 390 F C 2.686 178.607 175.800 0.201 0.000 1.095 390 F CA 1.758 59.961 58.000 0.337 0.000 1.249 390 F CB -0.250 38.893 39.000 0.239 0.000 0.995 390 F HN 0.551 nan 8.300 nan 0.000 0.480 391 K N 0.477 121.083 120.400 0.343 0.000 2.147 391 K HA -0.168 4.152 4.320 0.001 0.000 0.205 391 K C 1.869 178.568 176.600 0.164 0.000 1.049 391 K CA 1.408 57.817 56.287 0.203 0.000 0.936 391 K CB -0.211 32.394 32.500 0.176 0.000 0.722 391 K HN 0.419 nan 8.250 nan 0.000 0.446 392 Q N -1.448 118.483 119.800 0.218 0.000 2.212 392 Q HA -0.042 4.298 4.340 0.001 0.000 0.199 392 Q C 1.820 177.900 176.000 0.133 0.000 0.950 392 Q CA 0.673 56.596 55.803 0.201 0.000 0.863 392 Q CB 0.018 28.948 28.738 0.319 0.000 0.944 392 Q HN 0.158 nan 8.270 nan 0.000 0.465 393 F N 1.169 121.102 119.950 -0.028 0.000 2.149 393 F HA 0.038 4.566 4.527 0.001 0.000 0.294 393 F C 0.735 176.399 175.800 -0.226 0.000 1.095 393 F CA 0.478 58.355 58.000 -0.205 0.000 1.276 393 F CB 0.089 38.892 39.000 -0.327 0.000 1.023 393 F HN -0.116 nan 8.300 nan 0.000 0.480 394 L N 0.583 121.713 121.223 -0.154 0.000 2.485 394 L HA -0.075 4.266 4.340 0.001 0.000 0.275 394 L C 0.490 177.131 176.870 -0.382 0.000 1.207 394 L CA 0.226 54.831 54.840 -0.392 0.000 0.855 394 L CB -0.290 41.427 42.059 -0.569 0.000 1.114 394 L HN 0.465 nan 8.230 nan 0.000 0.485 395 Y N -0.289 120.004 120.300 -0.012 0.000 4.899 395 Y HA -0.314 4.236 4.550 0.001 0.000 0.241 395 Y C 0.825 176.718 175.900 -0.011 0.000 0.976 395 Y CA 0.327 58.453 58.100 0.043 0.000 1.952 395 Y CB -1.232 37.302 38.460 0.122 0.000 1.496 395 Y HN 0.705 nan 8.280 nan 0.000 0.545 396 N N 1.511 120.195 118.700 -0.026 0.000 3.044 396 N HA 0.172 4.912 4.740 0.001 0.000 0.254 396 N C 0.308 175.725 175.510 -0.154 0.000 1.253 396 N CA -0.128 52.878 53.050 -0.074 0.000 0.944 396 N CB 0.095 38.513 38.487 -0.115 0.000 1.217 396 N HN 0.218 nan 8.380 nan 0.000 0.498 397 N N 0.126 118.774 118.700 -0.087 0.000 2.512 397 N HA -0.064 4.677 4.740 0.001 0.000 0.183 397 N C 1.148 176.601 175.510 -0.097 0.000 1.073 397 N CA 0.412 53.394 53.050 -0.114 0.000 0.911 397 N CB 0.250 38.742 38.487 0.007 0.000 0.964 397 N HN 0.354 nan 8.380 nan 0.000 0.447 398 S N 1.375 117.033 115.700 -0.070 0.000 2.392 398 S HA -0.127 4.344 4.470 0.001 0.000 0.232 398 S C 2.012 176.563 174.600 -0.082 0.000 1.041 398 S CA 0.774 58.933 58.200 -0.068 0.000 1.026 398 S CB -0.192 62.976 63.200 -0.053 0.000 0.845 398 S HN 0.361 nan 8.310 nan 0.000 0.465 399 I N 0.663 121.174 120.570 -0.097 0.000 2.163 399 I HA -0.200 3.970 4.170 0.001 0.000 0.243 399 I C 2.369 178.555 176.117 0.115 0.000 1.085 399 I CA 0.915 62.191 61.300 -0.040 0.000 1.347 399 I CB -0.373 37.549 38.000 -0.130 0.000 1.044 399 I HN 0.245 nan 8.210 nan 0.000 0.408 400 L N 0.868 122.088 121.223 -0.006 0.000 1.970 400 L HA -0.235 4.106 4.340 0.001 0.000 0.212 400 L C 2.377 179.191 176.870 -0.092 0.000 1.071 400 L CA 1.948 56.672 54.840 -0.193 0.000 0.751 400 L CB -0.708 41.061 42.059 -0.484 0.000 0.889 400 L HN 0.122 nan 8.230 nan 0.000 0.432 401 L N -0.778 120.359 121.223 -0.143 0.000 2.012 401 L HA -0.266 4.074 4.340 0.001 0.000 0.210 401 L C 2.533 179.398 176.870 -0.009 0.000 1.073 401 L CA 1.670 56.455 54.840 -0.091 0.000 0.748 401 L CB -0.704 41.279 42.059 -0.127 0.000 0.891 401 L HN 0.386 nan 8.230 nan 0.000 0.431 402 E N -0.318 119.850 120.200 -0.053 0.000 2.068 402 E HA -0.286 4.065 4.350 0.001 0.000 0.207 402 E C 2.187 178.742 176.600 -0.074 0.000 1.032 402 E CA 2.026 58.358 56.400 -0.115 0.000 0.839 402 E CB -0.045 29.500 29.700 -0.257 0.000 0.758 402 E HN 0.465 nan 8.360 nan 0.000 0.457 403 H N -0.916 118.247 119.070 0.155 0.000 2.399 403 H HA 0.257 4.814 4.556 0.001 0.000 0.300 403 H C 1.140 176.567 175.328 0.165 0.000 1.048 403 H CA 1.153 57.307 56.048 0.177 0.000 1.370 403 H CB 0.002 29.919 29.762 0.259 0.000 1.428 403 H HN 0.338 nan 8.280 nan 0.000 0.534 404 G N 0.641 109.606 108.800 0.275 0.000 2.712 404 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 404 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 404 G C 0.580 175.543 174.900 0.105 0.000 1.321 404 G CA -0.166 45.028 45.100 0.157 0.000 0.813 404 G HN 0.148 nan 8.290 nan 0.000 0.599 405 L N 1.004 122.214 121.223 -0.022 0.000 2.043 405 L HA -0.122 4.218 4.340 0.001 0.000 0.212 405 L C 3.189 180.063 176.870 0.006 0.000 1.075 405 L CA 3.046 57.834 54.840 -0.088 0.000 0.752 405 L CB -1.994 39.980 42.059 -0.142 0.000 0.891 405 L HN 0.860 nan 8.230 nan 0.000 0.432 406 T N -0.997 113.566 114.554 0.015 0.000 2.622 406 T HA -0.270 4.080 4.350 0.001 0.000 0.266 406 T C 1.849 176.571 174.700 0.037 0.000 1.047 406 T CA 1.676 63.785 62.100 0.015 0.000 1.159 406 T CB -0.167 68.707 68.868 0.011 0.000 0.863 406 T HN 0.172 nan 8.240 nan 0.000 0.422 407 Q N 0.281 120.122 119.800 0.067 0.000 2.112 407 Q HA -0.093 4.248 4.340 0.001 0.000 0.206 407 Q C 1.874 177.840 176.000 -0.057 0.000 0.987 407 Q CA 1.667 57.479 55.803 0.015 0.000 0.858 407 Q CB -0.786 27.979 28.738 0.045 0.000 0.905 407 Q HN 0.523 nan 8.270 nan 0.000 0.420 408 F N -0.974 118.856 119.950 -0.200 0.000 2.120 408 F HA -0.228 4.300 4.527 0.001 0.000 0.300 408 F C 2.183 177.829 175.800 -0.257 0.000 1.095 408 F CA 1.363 59.162 58.000 -0.336 0.000 1.249 408 F CB -0.547 38.315 39.000 -0.231 0.000 0.995 408 F HN -0.026 nan 8.300 nan 0.000 0.480 409 V N -0.513 119.436 119.914 0.058 0.000 2.307 409 V HA -0.260 3.860 4.120 0.001 0.000 0.245 409 V C 2.189 178.295 176.094 0.020 0.000 1.045 409 V CA 1.960 64.284 62.300 0.041 0.000 1.024 409 V CB -0.695 31.124 31.823 -0.007 0.000 0.651 409 V HN 0.286 nan 8.190 nan 0.000 0.449 410 E N 0.448 120.641 120.200 -0.011 0.000 2.038 410 E HA -0.210 4.141 4.350 0.001 0.000 0.195 410 E C 2.449 179.036 176.600 -0.021 0.000 1.000 410 E CA 1.854 58.251 56.400 -0.005 0.000 0.803 410 E CB -0.232 29.458 29.700 -0.017 0.000 0.750 410 E HN 0.536 nan 8.360 nan 0.000 0.448 411 S N 0.214 115.845 115.700 -0.115 0.000 2.368 411 S HA -0.112 4.359 4.470 0.001 0.000 0.225 411 S C 1.568 176.155 174.600 -0.021 0.000 1.030 411 S CA 0.910 59.008 58.200 -0.170 0.000 0.999 411 S CB -0.181 62.769 63.200 -0.416 0.000 0.844 411 S HN 0.181 nan 8.310 nan 0.000 0.459 412 F N 1.913 121.869 119.950 0.011 0.000 2.615 412 F HA 0.095 4.622 4.527 0.001 0.000 0.297 412 F C 2.497 178.344 175.800 0.078 0.000 1.124 412 F CA 0.225 58.271 58.000 0.076 0.000 1.451 412 F CB -1.446 37.658 39.000 0.172 0.000 1.103 412 F HN 0.124 nan 8.300 nan 0.000 0.569 413 T N -0.568 114.113 114.554 0.211 0.000 2.904 413 T HA -0.094 4.256 4.350 0.001 0.000 0.267 413 T C 2.228 176.994 174.700 0.110 0.000 1.059 413 T CA 0.886 63.061 62.100 0.124 0.000 1.137 413 T CB -0.016 68.885 68.868 0.056 0.000 0.879 413 T HN 0.183 nan 8.240 nan 0.000 0.467 414 R N 0.852 121.412 120.500 0.101 0.000 2.062 414 R HA 0.081 4.421 4.340 0.001 0.000 0.229 414 R C 1.468 177.813 176.300 0.074 0.000 1.128 414 R CA 0.471 56.614 56.100 0.071 0.000 0.960 414 R CB -0.141 30.182 30.300 0.038 0.000 0.855 414 R HN 0.410 nan 8.270 nan 0.000 0.432 415 Q N 1.625 121.489 119.800 0.108 0.000 2.289 415 Q HA 0.088 4.429 4.340 0.001 0.000 0.273 415 Q C -0.670 175.369 176.000 0.065 0.000 1.029 415 Q CA 0.133 55.984 55.803 0.080 0.000 0.896 415 Q CB 0.602 29.418 28.738 0.132 0.000 1.182 415 Q HN 0.206 nan 8.270 nan 0.000 0.385 416 I N 3.557 124.151 120.570 0.039 0.000 2.365 416 I HA 0.432 4.603 4.170 0.001 0.000 0.291 416 I C -0.334 175.844 176.117 0.102 0.000 1.004 416 I CA -0.295 61.045 61.300 0.067 0.000 1.311 416 I CB 0.913 38.963 38.000 0.083 0.000 1.401 416 I HN 0.837 nan 8.210 nan 0.000 0.491 417 A N 5.374 128.257 122.820 0.106 0.000 2.271 417 A HA 0.717 5.037 4.320 0.001 0.000 0.288 417 A C 0.235 177.942 177.584 0.204 0.000 1.094 417 A CA -0.156 51.969 52.037 0.147 0.000 0.828 417 A CB 0.631 19.690 19.000 0.098 0.000 1.091 417 A HN 0.825 nan 8.150 nan 0.000 0.493 418 G N -0.561 108.374 108.800 0.226 0.000 2.504 418 G HA2 0.494 4.454 3.960 0.001 0.000 0.288 418 G HA3 0.494 4.454 3.960 0.001 0.000 0.288 418 G C -0.023 174.792 174.900 -0.141 0.000 1.182 418 G CA -0.706 44.377 45.100 -0.028 0.000 0.894 418 G HN 0.841 nan 8.290 nan 0.000 0.521 419 R N 0.529 120.874 120.500 -0.259 0.000 2.389 419 R HA 0.289 4.630 4.340 0.001 0.000 0.295 419 R C 0.954 177.138 176.300 -0.192 0.000 1.075 419 R CA -0.538 55.408 56.100 -0.256 0.000 1.005 419 R CB 1.015 31.157 30.300 -0.263 0.000 0.987 419 R HN 0.256 nan 8.270 nan 0.000 0.452 420 V N 3.909 123.686 119.914 -0.228 0.000 2.249 420 V HA -0.027 4.093 4.120 0.001 0.000 0.239 420 V C 1.134 177.181 176.094 -0.079 0.000 1.038 420 V CA 1.724 63.951 62.300 -0.121 0.000 1.005 420 V CB -0.574 31.158 31.823 -0.152 0.000 0.646 420 V HN 0.931 nan 8.190 nan 0.000 0.455 421 A N -0.662 122.113 122.820 -0.075 0.000 2.327 421 A HA 0.478 4.799 4.320 0.001 0.000 0.255 421 A C 1.482 179.011 177.584 -0.091 0.000 1.099 421 A CA 0.647 52.653 52.037 -0.051 0.000 0.801 421 A CB -0.276 18.718 19.000 -0.010 0.000 1.062 421 A HN 1.482 nan 8.150 nan 0.000 0.496 422 G N -1.587 107.166 108.800 -0.078 0.000 2.238 422 G HA2 0.387 4.348 3.960 0.001 0.000 0.217 422 G HA3 0.387 4.348 3.960 0.001 0.000 0.217 422 G C 1.557 176.412 174.900 -0.075 0.000 0.996 422 G CA 0.591 45.640 45.100 -0.085 0.000 0.632 422 G HN 3.087 nan 8.290 nan 0.000 0.503 423 G N -0.402 108.357 108.800 -0.069 0.000 2.705 423 G HA2 0.312 4.273 3.960 0.001 0.000 0.686 423 G HA3 0.312 4.273 3.960 0.001 0.000 0.686 423 G C 0.236 175.105 174.900 -0.052 0.000 1.285 423 G CA 0.336 45.402 45.100 -0.055 0.000 0.800 423 G HN 1.653 nan 8.290 nan 0.000 0.611 424 R N -0.836 119.643 120.500 -0.034 0.000 3.264 424 R HA -0.230 4.111 4.340 0.001 0.000 0.251 424 R C 0.430 176.713 176.300 -0.029 0.000 0.971 424 R CA 1.125 57.211 56.100 -0.024 0.000 0.658 424 R CB -1.277 29.006 30.300 -0.027 0.000 1.095 424 R HN 0.869 nan 8.270 nan 0.000 0.443 425 N N -0.562 118.126 118.700 -0.020 0.000 2.475 425 N HA 0.114 4.855 4.740 0.001 0.000 0.272 425 N C -1.128 174.410 175.510 0.047 0.000 1.482 425 N CA -0.119 52.920 53.050 -0.018 0.000 0.863 425 N CB 1.182 39.614 38.487 -0.092 0.000 1.400 425 N HN 0.060 nan 8.380 nan 0.000 0.489 426 V N 2.550 122.503 119.914 0.065 0.000 2.406 426 V HA 0.480 4.600 4.120 0.001 0.000 0.272 426 V C -1.986 174.160 176.094 0.087 0.000 1.043 426 V CA -1.559 60.805 62.300 0.107 0.000 0.915 426 V CB 1.226 33.113 31.823 0.107 0.000 0.988 426 V HN 0.161 nan 8.190 nan 0.000 0.466 427 P HA 0.260 nan 4.420 nan 0.000 0.271 427 P C 0.966 178.236 177.300 -0.050 0.000 1.216 427 P CA -0.009 63.118 63.100 0.045 0.000 0.771 427 P CB 1.047 32.795 31.700 0.080 0.000 0.864 428 I N 2.013 122.542 120.570 -0.069 0.000 2.394 428 I HA -0.254 3.917 4.170 0.001 0.000 0.251 428 I C 2.335 178.356 176.117 -0.160 0.000 1.136 428 I CA 1.383 62.633 61.300 -0.082 0.000 1.425 428 I CB -0.589 37.380 38.000 -0.051 0.000 1.079 428 I HN 0.360 nan 8.210 nan 0.000 0.425 429 A N -0.008 122.624 122.820 -0.312 0.000 1.940 429 A HA -0.225 4.095 4.320 0.001 0.000 0.221 429 A C 2.159 179.537 177.584 -0.344 0.000 1.190 429 A CA 2.105 53.846 52.037 -0.493 0.000 0.647 429 A CB -0.730 17.467 19.000 -1.337 0.000 0.821 429 A HN 0.307 nan 8.150 nan 0.000 0.457 430 V N 0.891 120.638 119.914 -0.278 0.000 3.043 430 V HA 0.030 4.151 4.120 0.001 0.000 0.357 430 V C 1.856 177.889 176.094 -0.101 0.000 1.372 430 V CA 0.695 62.894 62.300 -0.168 0.000 1.214 430 V CB -0.308 31.434 31.823 -0.136 0.000 1.224 430 V HN 0.875 nan 8.190 nan 0.000 0.507 431 Q N 0.705 120.461 119.800 -0.073 0.000 2.135 431 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 431 Q C 2.033 178.023 176.000 -0.017 0.000 0.981 431 Q CA 2.225 58.013 55.803 -0.026 0.000 0.856 431 Q CB -0.508 28.218 28.738 -0.020 0.000 0.902 431 Q HN 0.542 nan 8.270 nan 0.000 0.425 432 A N 1.085 123.886 122.820 -0.032 0.000 1.917 432 A HA -0.173 4.147 4.320 0.001 0.000 0.219 432 A C 2.345 179.915 177.584 -0.024 0.000 1.182 432 A CA 1.922 53.945 52.037 -0.023 0.000 0.633 432 A CB -0.905 18.079 19.000 -0.026 0.000 0.819 432 A HN 0.298 nan 8.150 nan 0.000 0.448 433 V N -0.525 119.355 119.914 -0.057 0.000 2.323 433 V HA -0.165 3.955 4.120 0.001 0.000 0.244 433 V C 3.038 179.135 176.094 0.006 0.000 1.041 433 V CA 1.828 64.082 62.300 -0.075 0.000 1.025 433 V CB -1.236 30.429 31.823 -0.263 0.000 0.656 433 V HN 0.616 nan 8.190 nan 0.000 0.451 434 A N -0.281 122.569 122.820 0.050 0.000 1.972 434 A HA -0.252 4.069 4.320 0.001 0.000 0.219 434 A C 2.330 180.012 177.584 0.164 0.000 1.169 434 A CA 2.125 54.288 52.037 0.210 0.000 0.635 434 A CB -0.466 18.682 19.000 0.246 0.000 0.810 434 A HN 0.525 nan 8.150 nan 0.000 0.446 435 K N -0.260 120.190 120.400 0.083 0.000 2.057 435 K HA -0.061 4.260 4.320 0.001 0.000 0.206 435 K C 2.143 178.755 176.600 0.019 0.000 1.050 435 K CA 1.119 57.440 56.287 0.057 0.000 0.935 435 K CB -0.330 32.189 32.500 0.032 0.000 0.715 435 K HN 0.355 nan 8.250 nan 0.000 0.439 436 A N 0.618 123.438 122.820 0.001 0.000 1.940 436 A HA -0.158 4.162 4.320 0.001 0.000 0.219 436 A C 2.141 179.672 177.584 -0.089 0.000 1.176 436 A CA 2.073 54.096 52.037 -0.024 0.000 0.631 436 A CB -0.615 18.381 19.000 -0.007 0.000 0.814 436 A HN 0.359 nan 8.150 nan 0.000 0.446 437 S N -0.222 115.387 115.700 -0.152 0.000 2.370 437 S HA -0.130 4.340 4.470 0.001 0.000 0.226 437 S C 1.793 176.149 174.600 -0.405 0.000 1.033 437 S CA 1.576 59.496 58.200 -0.468 0.000 1.011 437 S CB -0.472 62.113 63.200 -1.024 0.000 0.852 437 S HN 0.588 nan 8.310 nan 0.000 0.457 438 I N 1.417 121.903 120.570 -0.140 0.000 2.202 438 I HA -0.156 4.014 4.170 0.001 0.000 0.242 438 I C 2.043 178.121 176.117 -0.065 0.000 1.091 438 I CA 1.082 62.370 61.300 -0.020 0.000 1.368 438 I CB -0.470 37.590 38.000 0.100 0.000 1.058 438 I HN 0.168 nan 8.210 nan 0.000 0.410 439 D N 0.775 121.144 120.400 -0.052 0.000 2.097 439 D HA -0.181 4.459 4.640 0.001 0.000 0.197 439 D C 2.254 178.515 176.300 -0.066 0.000 0.984 439 D CA 1.316 55.295 54.000 -0.036 0.000 0.826 439 D CB -0.276 40.514 40.800 -0.015 0.000 0.973 439 D HN 0.410 nan 8.370 nan 0.000 0.460 440 Q N 0.301 120.039 119.800 -0.103 0.000 2.224 440 Q HA -0.049 4.292 4.340 0.001 0.000 0.203 440 Q C 2.251 178.121 176.000 -0.218 0.000 0.970 440 Q CA 0.716 56.449 55.803 -0.116 0.000 0.865 440 Q CB 0.102 28.779 28.738 -0.101 0.000 0.922 440 Q HN 0.068 nan 8.270 nan 0.000 0.445 441 S N 0.615 116.106 115.700 -0.347 0.000 2.343 441 S HA -0.153 4.317 4.470 0.001 0.000 0.219 441 S C 1.757 176.205 174.600 -0.253 0.000 1.033 441 S CA 1.137 58.977 58.200 -0.601 0.000 1.014 441 S CB -0.144 62.689 63.200 -0.612 0.000 0.915 441 S HN 0.346 nan 8.310 nan 0.000 0.435 442 R N 1.055 121.495 120.500 -0.100 0.000 2.119 442 R HA -0.161 4.180 4.340 0.001 0.000 0.246 442 R C 2.427 178.745 176.300 0.029 0.000 1.146 442 R CA 1.604 57.710 56.100 0.011 0.000 0.962 442 R CB -0.360 29.955 30.300 0.024 0.000 0.863 442 R HN 0.535 nan 8.270 nan 0.000 0.442 443 E N 0.671 120.873 120.200 0.003 0.000 2.153 443 E HA -0.147 4.203 4.350 0.001 0.000 0.194 443 E C 1.598 178.232 176.600 0.056 0.000 0.988 443 E CA 0.958 57.377 56.400 0.032 0.000 0.811 443 E CB 0.108 29.823 29.700 0.025 0.000 0.746 443 E HN 0.321 nan 8.360 nan 0.000 0.466 444 M N 0.336 119.967 119.600 0.052 0.000 2.561 444 M HA 0.029 4.509 4.480 0.001 0.000 0.238 444 M C -0.332 176.089 176.300 0.202 0.000 1.131 444 M CA 0.271 55.646 55.300 0.125 0.000 1.046 444 M CB 0.525 33.227 32.600 0.171 0.000 1.532 444 M HN -0.155 nan 8.290 nan 0.000 0.497 445 K N 0.038 120.540 120.400 0.170 0.000 3.244 445 K HA -0.191 4.129 4.320 0.001 0.000 0.270 445 K C -1.366 175.384 176.600 0.249 0.000 1.016 445 K CA 0.645 57.032 56.287 0.165 0.000 0.754 445 K CB -2.566 29.992 32.500 0.096 0.000 1.326 445 K HN 0.293 nan 8.250 nan 0.000 0.465 446 Y N 1.398 121.738 120.300 0.066 0.000 2.526 446 Y HA 0.009 4.559 4.550 0.001 0.000 0.330 446 Y C 1.805 177.799 175.900 0.157 0.000 1.156 446 Y CA 0.024 58.207 58.100 0.139 0.000 1.419 446 Y CB 0.494 39.024 38.460 0.116 0.000 1.250 446 Y HN 0.161 nan 8.280 nan 0.000 0.540 447 Q N 1.338 121.280 119.800 0.236 0.000 2.584 447 Q HA 0.163 4.503 4.340 0.001 0.000 0.235 447 Q C 0.521 176.679 176.000 0.263 0.000 1.079 447 Q CA -0.105 55.768 55.803 0.116 0.000 0.977 447 Q CB 0.486 29.138 28.738 -0.143 0.000 1.293 447 Q HN 0.811 nan 8.270 nan 0.000 0.553 448 S N -0.124 115.665 115.700 0.148 0.000 2.626 448 S HA 0.028 4.499 4.470 0.001 0.000 0.257 448 S C 0.901 175.637 174.600 0.226 0.000 1.288 448 S CA -0.577 57.718 58.200 0.158 0.000 0.980 448 S CB 0.410 63.649 63.200 0.066 0.000 0.975 448 S HN 0.632 nan 8.310 nan 0.000 0.577 449 L N 1.087 122.397 121.223 0.146 0.000 2.017 449 L HA -0.036 4.305 4.340 0.001 0.000 0.208 449 L C 2.032 178.969 176.870 0.111 0.000 1.073 449 L CA 1.949 56.875 54.840 0.143 0.000 0.745 449 L CB -1.420 40.682 42.059 0.072 0.000 0.894 449 L HN 0.705 nan 8.230 nan 0.000 0.432 450 N N -0.145 118.577 118.700 0.037 0.000 2.188 450 N HA -0.153 4.587 4.740 0.001 0.000 0.184 450 N C 1.722 177.220 175.510 -0.021 0.000 1.018 450 N CA 1.295 54.336 53.050 -0.016 0.000 0.858 450 N CB -0.212 38.249 38.487 -0.043 0.000 0.989 450 N HN 0.445 nan 8.380 nan 0.000 0.426 451 E N -0.092 120.092 120.200 -0.028 0.000 2.110 451 E HA -0.135 4.216 4.350 0.001 0.000 0.193 451 E C 1.696 178.221 176.600 -0.124 0.000 0.988 451 E CA 0.745 57.083 56.400 -0.102 0.000 0.804 451 E CB -0.385 29.221 29.700 -0.156 0.000 0.745 451 E HN 0.499 nan 8.360 nan 0.000 0.458 452 Y N 0.942 121.254 120.300 0.019 0.000 2.314 452 Y HA -0.056 4.495 4.550 0.001 0.000 0.293 452 Y C 2.494 178.464 175.900 0.116 0.000 1.129 452 Y CA 1.070 59.220 58.100 0.083 0.000 1.201 452 Y CB 0.010 38.515 38.460 0.076 0.000 0.999 452 Y HN -0.047 nan 8.280 nan 0.000 0.541 453 R N -0.248 120.348 120.500 0.160 0.000 2.090 453 R HA -0.109 4.232 4.340 0.001 0.000 0.228 453 R C 2.071 178.399 176.300 0.047 0.000 1.110 453 R CA 1.207 57.346 56.100 0.064 0.000 0.973 453 R CB -0.121 30.127 30.300 -0.087 0.000 0.869 453 R HN 0.202 nan 8.270 nan 0.000 0.440 454 K N 0.109 120.509 120.400 -0.000 0.000 2.057 454 K HA -0.159 4.161 4.320 0.001 0.000 0.207 454 K C 2.048 178.628 176.600 -0.033 0.000 1.049 454 K CA 1.168 57.434 56.287 -0.035 0.000 0.931 454 K CB -0.041 32.413 32.500 -0.076 0.000 0.714 454 K HN -0.120 nan 8.250 nan 0.000 0.440 455 R N 0.367 120.851 120.500 -0.028 0.000 2.127 455 R HA -0.094 4.246 4.340 0.001 0.000 0.238 455 R C 0.545 176.692 176.300 -0.255 0.000 1.134 455 R CA 1.539 57.562 56.100 -0.128 0.000 0.975 455 R CB -0.257 29.972 30.300 -0.117 0.000 0.865 455 R HN 0.123 nan 8.270 nan 0.000 0.447 456 F N 0.316 120.233 119.950 -0.055 0.000 2.837 456 F HA 0.296 4.823 4.527 0.001 0.000 0.298 456 F C 0.293 176.061 175.800 -0.054 0.000 1.161 456 F CA -0.106 57.844 58.000 -0.083 0.000 1.353 456 F CB 0.407 39.349 39.000 -0.097 0.000 0.951 456 F HN -0.088 nan 8.300 nan 0.000 0.508 457 S N 0.563 116.301 115.700 0.062 0.000 3.672 457 S HA -0.184 4.287 4.470 0.001 0.000 0.319 457 S C -0.143 174.486 174.600 0.047 0.000 1.151 457 S CA 0.249 58.486 58.200 0.062 0.000 0.911 457 S CB -2.149 61.118 63.200 0.112 0.000 0.939 457 S HN 0.321 nan 8.310 nan 0.000 0.524 458 L N 0.298 121.533 121.223 0.019 0.000 2.322 458 L HA 0.523 4.863 4.340 0.001 0.000 0.269 458 L C 0.560 177.384 176.870 -0.077 0.000 1.012 458 L CA -0.892 53.929 54.840 -0.031 0.000 0.815 458 L CB 1.037 43.059 42.059 -0.062 0.000 1.295 458 L HN 0.019 nan 8.230 nan 0.000 0.438 459 K N 2.097 122.435 120.400 -0.103 0.000 2.379 459 K HA 0.241 4.561 4.320 0.001 0.000 0.284 459 K C -2.328 174.148 176.600 -0.208 0.000 1.044 459 K CA -1.444 54.773 56.287 -0.116 0.000 0.974 459 K CB 0.815 33.267 32.500 -0.081 0.000 0.962 459 K HN 0.204 nan 8.250 nan 0.000 0.474 460 P HA -0.026 nan 4.420 nan 0.000 0.271 460 P C -1.044 176.171 177.300 -0.141 0.000 1.216 460 P CA 0.130 63.127 63.100 -0.172 0.000 0.771 460 P CB 0.227 31.870 31.700 -0.096 0.000 0.864 461 Y N 0.707 120.965 120.300 -0.070 0.000 2.632 461 Y HA -0.009 4.542 4.550 0.001 0.000 0.329 461 Y C 2.150 177.980 175.900 -0.117 0.000 1.174 461 Y CA 0.068 58.113 58.100 -0.092 0.000 1.469 461 Y CB 0.189 38.579 38.460 -0.117 0.000 1.242 461 Y HN 0.410 nan 8.280 nan 0.000 0.540 462 T N -1.631 112.970 114.554 0.078 0.000 3.129 462 T HA 0.151 4.501 4.350 0.001 0.000 0.251 462 T C 0.214 174.890 174.700 -0.040 0.000 1.117 462 T CA 0.347 62.448 62.100 0.002 0.000 1.034 462 T CB -0.167 68.709 68.868 0.012 0.000 0.968 462 T HN 0.537 nan 8.240 nan 0.000 0.526 463 S N -1.181 114.476 115.700 -0.072 0.000 2.578 463 S HA 0.517 4.987 4.470 0.001 0.000 0.272 463 S C -0.175 174.309 174.600 -0.193 0.000 1.145 463 S CA -0.962 57.167 58.200 -0.117 0.000 0.835 463 S CB 0.025 63.223 63.200 -0.004 0.000 1.104 463 S HN -0.042 nan 8.310 nan 0.000 0.458 464 F N 1.125 121.053 119.950 -0.038 0.000 2.293 464 F HA 0.094 4.622 4.527 0.001 0.000 0.300 464 F C 2.469 178.207 175.800 -0.104 0.000 1.086 464 F CA 1.306 59.262 58.000 -0.073 0.000 1.375 464 F CB -0.159 38.822 39.000 -0.032 0.000 1.045 464 F HN 0.683 nan 8.300 nan 0.000 0.516 465 E N -0.065 120.189 120.200 0.091 0.000 2.158 465 E HA -0.192 4.158 4.350 0.001 0.000 0.191 465 E C 1.990 178.552 176.600 -0.062 0.000 0.982 465 E CA 0.714 57.123 56.400 0.016 0.000 0.823 465 E CB -0.165 29.551 29.700 0.028 0.000 0.766 465 E HN 0.505 nan 8.360 nan 0.000 0.468 466 E N 0.801 120.943 120.200 -0.097 0.000 2.106 466 E HA -0.195 4.156 4.350 0.001 0.000 0.192 466 E C 2.115 178.464 176.600 -0.419 0.000 0.984 466 E CA 0.495 56.803 56.400 -0.154 0.000 0.806 466 E CB 0.096 29.766 29.700 -0.050 0.000 0.750 466 E HN 0.085 nan 8.360 nan 0.000 0.458 467 L N 0.823 121.689 121.223 -0.596 0.000 1.976 467 L HA -0.145 4.196 4.340 0.001 0.000 0.209 467 L C 2.419 179.043 176.870 -0.410 0.000 1.071 467 L CA 2.795 57.128 54.840 -0.844 0.000 0.746 467 L CB -1.094 40.649 42.059 -0.527 0.000 0.890 467 L HN 0.263 nan 8.230 nan 0.000 0.432 468 T N -3.838 110.591 114.554 -0.208 0.000 3.065 468 T HA 0.297 4.647 4.350 0.001 0.000 0.252 468 T C 1.438 176.083 174.700 -0.091 0.000 1.099 468 T CA 0.351 62.380 62.100 -0.117 0.000 1.063 468 T CB -0.419 68.414 68.868 -0.058 0.000 0.948 468 T HN 0.764 nan 8.240 nan 0.000 0.506 469 G N 1.916 110.660 108.800 -0.094 0.000 2.179 469 G HA2 -0.145 3.816 3.960 0.001 0.000 0.257 469 G HA3 -0.145 3.816 3.960 0.001 0.000 0.257 469 G C -0.190 174.687 174.900 -0.039 0.000 1.010 469 G CA 0.714 45.779 45.100 -0.060 0.000 0.736 469 G HN 1.042 nan 8.290 nan 0.000 0.513 470 E N -2.996 117.183 120.200 -0.035 0.000 2.425 470 E HA 0.731 5.082 4.350 0.001 0.000 0.272 470 E C 0.508 177.099 176.600 -0.016 0.000 1.061 470 E CA -0.843 55.542 56.400 -0.025 0.000 0.877 470 E CB 0.058 29.741 29.700 -0.029 0.000 1.590 470 E HN -0.015 nan 8.360 nan 0.000 0.462 471 K N -0.458 119.934 120.400 -0.014 0.000 2.399 471 K HA 0.157 4.478 4.320 0.001 0.000 0.196 471 K C 1.405 177.996 176.600 -0.015 0.000 1.117 471 K CA 0.360 56.642 56.287 -0.009 0.000 0.965 471 K CB 0.540 33.036 32.500 -0.007 0.000 0.983 471 K HN 0.579 nan 8.250 nan 0.000 0.531 472 E N 1.451 121.639 120.200 -0.019 0.000 2.028 472 E HA -0.056 4.295 4.350 0.001 0.000 0.190 472 E C 1.943 178.526 176.600 -0.029 0.000 0.984 472 E CA 0.959 57.344 56.400 -0.024 0.000 0.800 472 E CB 0.178 29.864 29.700 -0.023 0.000 0.758 472 E HN 0.134 nan 8.360 nan 0.000 0.448 473 M N 0.122 119.705 119.600 -0.027 0.000 2.236 473 M HA -0.004 4.476 4.480 0.001 0.000 0.266 473 M C 2.423 178.703 176.300 -0.034 0.000 1.070 473 M CA 1.032 56.315 55.300 -0.028 0.000 1.137 473 M CB -0.015 32.572 32.600 -0.022 0.000 1.378 473 M HN 0.161 nan 8.290 nan 0.000 0.426 474 A N 0.925 123.735 122.820 -0.016 0.000 1.883 474 A HA -0.116 4.204 4.320 0.001 0.000 0.217 474 A C 2.407 179.951 177.584 -0.067 0.000 1.186 474 A CA 2.121 54.162 52.037 0.008 0.000 0.624 474 A CB -0.977 18.050 19.000 0.045 0.000 0.822 474 A HN 0.486 nan 8.150 nan 0.000 0.444 475 A N -0.449 122.338 122.820 -0.054 0.000 1.933 475 A HA -0.164 4.157 4.320 0.001 0.000 0.218 475 A C 1.969 179.483 177.584 -0.115 0.000 1.175 475 A CA 1.613 53.607 52.037 -0.072 0.000 0.628 475 A CB -0.451 18.524 19.000 -0.041 0.000 0.814 475 A HN 0.589 nan 8.150 nan 0.000 0.444 476 E N -0.004 120.134 120.200 -0.103 0.000 2.051 476 E HA -0.151 4.200 4.350 0.001 0.000 0.192 476 E C 2.034 178.533 176.600 -0.168 0.000 0.991 476 E CA 1.185 57.521 56.400 -0.107 0.000 0.799 476 E CB -0.405 29.255 29.700 -0.067 0.000 0.748 476 E HN 0.660 nan 8.360 nan 0.000 0.449 477 L N 1.003 122.095 121.223 -0.217 0.000 2.191 477 L HA -0.197 4.144 4.340 0.001 0.000 0.212 477 L C 2.627 179.005 176.870 -0.819 0.000 1.103 477 L CA 1.132 55.775 54.840 -0.328 0.000 0.769 477 L CB -0.370 41.541 42.059 -0.246 0.000 0.908 477 L HN 0.078 nan 8.230 nan 0.000 0.438 478 K N 0.792 120.660 120.400 -0.886 0.000 1.984 478 K HA -0.162 4.158 4.320 0.001 0.000 0.209 478 K C 2.187 178.612 176.600 -0.291 0.000 1.046 478 K CA 1.525 57.375 56.287 -0.729 0.000 0.934 478 K CB -0.323 32.002 32.500 -0.291 0.000 0.717 478 K HN 0.136 nan 8.250 nan 0.000 0.438 479 A N 1.154 123.857 122.820 -0.195 0.000 1.903 479 A HA -0.204 4.116 4.320 0.001 0.000 0.219 479 A C 2.274 179.786 177.584 -0.121 0.000 1.191 479 A CA 2.035 54.002 52.037 -0.116 0.000 0.638 479 A CB -0.942 18.000 19.000 -0.097 0.000 0.823 479 A HN 0.413 nan 8.150 nan 0.000 0.451 480 L N -3.113 118.009 121.223 -0.169 0.000 2.109 480 L HA -0.129 4.212 4.340 0.001 0.000 0.207 480 L C 2.226 178.917 176.870 -0.299 0.000 1.086 480 L CA 1.296 55.989 54.840 -0.244 0.000 0.760 480 L CB -0.207 41.663 42.059 -0.314 0.000 0.910 480 L HN 0.561 nan 8.230 nan 0.000 0.437 481 Y N -2.571 117.685 120.300 -0.074 0.000 2.444 481 Y HA 0.082 4.633 4.550 0.001 0.000 0.252 481 Y C 1.932 177.910 175.900 0.129 0.000 1.091 481 Y CA 0.394 58.535 58.100 0.069 0.000 1.276 481 Y CB 0.808 39.401 38.460 0.222 0.000 1.170 481 Y HN 0.025 nan 8.280 nan 0.000 0.517 482 S N -0.597 115.228 115.700 0.209 0.000 2.557 482 S HA -0.285 4.185 4.470 0.001 0.000 0.240 482 S C 0.020 174.806 174.600 0.311 0.000 1.210 482 S CA 1.925 60.242 58.200 0.195 0.000 2.526 482 S CB -1.208 62.069 63.200 0.127 0.000 1.373 482 S HN 0.531 nan 8.310 nan 0.000 0.497 483 D N 0.683 121.268 120.400 0.308 0.000 2.256 483 D HA 0.495 5.136 4.640 0.001 0.000 0.240 483 D C 0.739 177.133 176.300 0.157 0.000 1.062 483 D CA -0.359 53.767 54.000 0.210 0.000 0.832 483 D CB 1.366 42.237 40.800 0.119 0.000 1.135 483 D HN 0.196 nan 8.370 nan 0.000 0.484 484 I N 3.220 123.715 120.570 -0.125 0.000 2.423 484 I HA -0.208 3.963 4.170 0.001 0.000 0.254 484 I C 1.131 177.075 176.117 -0.288 0.000 1.151 484 I CA 1.452 62.369 61.300 -0.637 0.000 1.421 484 I CB -0.010 37.536 38.000 -0.756 0.000 1.079 484 I HN 0.328 nan 8.210 nan 0.000 0.431 485 D N -0.178 120.150 120.400 -0.120 0.000 2.350 485 D HA -0.061 4.580 4.640 0.001 0.000 0.216 485 D C 2.119 178.408 176.300 -0.018 0.000 0.968 485 D CA 0.869 54.833 54.000 -0.061 0.000 0.894 485 D CB 0.051 40.831 40.800 -0.033 0.000 0.909 485 D HN 0.321 nan 8.370 nan 0.000 0.520 486 V N 0.402 120.327 119.914 0.018 0.000 3.506 486 V HA 0.038 4.159 4.120 0.001 0.000 0.263 486 V C 0.943 177.034 176.094 -0.005 0.000 1.203 486 V CA -0.118 62.229 62.300 0.078 0.000 1.133 486 V CB -0.302 31.637 31.823 0.194 0.000 0.802 486 V HN 0.118 nan 8.190 nan 0.000 0.459 487 M N 1.382 120.889 119.600 -0.156 0.000 2.250 487 M HA 0.103 4.583 4.480 0.001 0.000 0.337 487 M C 0.244 176.432 176.300 -0.187 0.000 1.161 487 M CA 0.576 55.646 55.300 -0.384 0.000 1.088 487 M CB -0.120 32.313 32.600 -0.278 0.000 1.639 487 M HN 0.298 nan 8.290 nan 0.000 0.447 488 E N 2.754 122.836 120.200 -0.197 0.000 2.250 488 E HA 0.186 4.536 4.350 0.001 0.000 0.265 488 E C 0.324 176.947 176.600 0.038 0.000 1.033 488 E CA -0.695 55.712 56.400 0.012 0.000 0.888 488 E CB 1.110 30.867 29.700 0.093 0.000 1.151 488 E HN 0.749 nan 8.360 nan 0.000 0.412 489 L N 1.801 123.080 121.223 0.094 0.000 2.049 489 L HA -0.126 4.214 4.340 0.001 0.000 0.203 489 L C 2.021 178.932 176.870 0.069 0.000 1.074 489 L CA 1.714 56.593 54.840 0.064 0.000 0.749 489 L CB -0.597 41.471 42.059 0.015 0.000 0.907 489 L HN 0.673 nan 8.230 nan 0.000 0.439 490 Y N 1.688 121.965 120.300 -0.038 0.000 2.128 490 Y HA -0.104 4.446 4.550 0.001 0.000 0.284 490 Y C -0.642 175.261 175.900 0.005 0.000 1.154 490 Y CA 1.916 59.989 58.100 -0.044 0.000 1.149 490 Y CB -1.775 36.628 38.460 -0.095 0.000 0.976 490 Y HN 0.266 nan 8.280 nan 0.000 0.505 491 P HA -0.141 nan 4.420 nan 0.000 0.217 491 P C 1.405 178.638 177.300 -0.113 0.000 1.150 491 P CA 2.254 65.279 63.100 -0.125 0.000 0.832 491 P CB -0.323 31.403 31.700 0.043 0.000 0.787 492 A N 0.195 122.980 122.820 -0.058 0.000 1.940 492 A HA -0.157 4.164 4.320 0.001 0.000 0.219 492 A C 2.423 179.978 177.584 -0.048 0.000 1.176 492 A CA 1.447 53.463 52.037 -0.035 0.000 0.631 492 A CB -1.667 17.336 19.000 0.005 0.000 0.814 492 A HN 0.129 nan 8.150 nan 0.000 0.446 493 L N -0.648 120.529 121.223 -0.077 0.000 2.046 493 L HA -0.138 4.203 4.340 0.001 0.000 0.208 493 L C 2.219 179.032 176.870 -0.095 0.000 1.077 493 L CA 0.895 55.690 54.840 -0.074 0.000 0.747 493 L CB -0.351 41.670 42.059 -0.063 0.000 0.896 493 L HN 0.355 nan 8.230 nan 0.000 0.432 494 L N -1.002 120.116 121.223 -0.174 0.000 2.492 494 L HA -0.029 4.312 4.340 0.001 0.000 0.223 494 L C 1.805 178.620 176.870 -0.091 0.000 1.132 494 L CA 0.485 55.241 54.840 -0.139 0.000 0.850 494 L CB -0.048 41.883 42.059 -0.213 0.000 0.966 494 L HN 0.177 nan 8.230 nan 0.000 0.454 495 V N -1.712 118.153 119.914 -0.082 0.000 3.661 495 V HA 0.052 4.173 4.120 0.001 0.000 0.271 495 V C 1.183 177.240 176.094 -0.061 0.000 1.315 495 V CA -0.147 62.117 62.300 -0.060 0.000 1.072 495 V CB 0.183 31.982 31.823 -0.041 0.000 0.830 495 V HN 0.300 nan 8.190 nan 0.000 0.443 496 E N 2.186 122.352 120.200 -0.057 0.000 2.467 496 E HA -0.049 4.301 4.350 0.001 0.000 0.264 496 E C 0.432 176.994 176.600 -0.063 0.000 1.020 496 E CA -0.084 56.280 56.400 -0.059 0.000 0.945 496 E CB 0.462 30.157 29.700 -0.009 0.000 0.942 496 E HN 0.356 nan 8.360 nan 0.000 0.449 497 K N 4.734 125.085 120.400 -0.082 0.000 2.451 497 K HA 0.120 4.441 4.320 0.001 0.000 0.280 497 K C -2.342 174.232 176.600 -0.044 0.000 1.020 497 K CA -1.275 54.972 56.287 -0.067 0.000 1.008 497 K CB 0.469 32.925 32.500 -0.074 0.000 0.917 497 K HN 0.211 nan 8.250 nan 0.000 0.478 498 P HA 0.196 nan 4.420 nan 0.000 0.276 498 P C -0.928 176.342 177.300 -0.050 0.000 1.244 498 P CA -0.562 62.503 63.100 -0.058 0.000 0.801 498 P CB 0.628 32.276 31.700 -0.086 0.000 1.006 499 R N 2.082 122.542 120.500 -0.067 0.000 2.784 499 R HA 0.190 4.530 4.340 0.001 0.000 0.266 499 R C -1.977 174.306 176.300 -0.028 0.000 1.044 499 R CA -1.277 54.785 56.100 -0.063 0.000 1.151 499 R CB -1.456 28.752 30.300 -0.153 0.000 1.037 499 R HN 0.384 nan 8.270 nan 0.000 0.478 500 P HA -0.113 nan 4.420 nan 0.000 0.256 500 P C -0.841 176.439 177.300 -0.034 0.000 1.173 500 P CA 0.843 63.946 63.100 0.005 0.000 0.768 500 P CB 0.196 31.923 31.700 0.045 0.000 0.758 501 D N -0.039 120.324 120.400 -0.061 0.000 2.882 501 D HA -0.225 4.415 4.640 0.001 0.000 0.229 501 D C 0.323 176.545 176.300 -0.131 0.000 1.167 501 D CA 1.472 55.416 54.000 -0.094 0.000 0.759 501 D CB -1.287 39.461 40.800 -0.087 0.000 1.088 501 D HN 0.463 nan 8.370 nan 0.000 0.425 502 A N -0.156 122.586 122.820 -0.131 0.000 2.282 502 A HA 0.658 4.978 4.320 0.001 0.000 0.319 502 A C 1.322 178.744 177.584 -0.270 0.000 1.121 502 A CA -0.462 51.468 52.037 -0.178 0.000 0.836 502 A CB 1.053 19.989 19.000 -0.106 0.000 1.146 502 A HN 0.139 nan 8.150 nan 0.000 0.494 503 I N -0.770 119.540 120.570 -0.434 0.000 2.500 503 I HA 0.101 4.271 4.170 0.001 0.000 0.252 503 I C -0.519 175.208 176.117 -0.649 0.000 1.142 503 I CA 0.789 61.690 61.300 -0.664 0.000 1.451 503 I CB -0.050 37.318 38.000 -1.053 0.000 1.093 503 I HN 0.508 nan 8.210 nan 0.000 0.430 504 F N -0.609 119.189 119.950 -0.254 0.000 2.598 504 F HA 0.595 5.123 4.527 0.001 0.000 0.327 504 F C 0.882 176.577 175.800 -0.175 0.000 1.057 504 F CA -0.922 56.934 58.000 -0.240 0.000 0.957 504 F CB 0.583 39.428 39.000 -0.258 0.000 1.278 504 F HN -0.228 nan 8.300 nan 0.000 0.484 505 G N -0.365 108.490 108.800 0.091 0.000 2.509 505 G HA2 0.227 4.187 3.960 0.001 0.000 0.269 505 G HA3 0.227 4.187 3.960 0.001 0.000 0.269 505 G C 0.545 175.442 174.900 -0.006 0.000 1.416 505 G CA -0.152 44.958 45.100 0.017 0.000 1.052 505 G HN 0.698 nan 8.290 nan 0.000 0.542 506 E N -1.461 118.741 120.200 0.003 0.000 2.060 506 E HA -0.084 4.267 4.350 0.001 0.000 0.189 506 E C 2.388 178.967 176.600 -0.035 0.000 0.974 506 E CA 1.299 57.687 56.400 -0.019 0.000 0.808 506 E CB -0.140 29.567 29.700 0.013 0.000 0.768 506 E HN 0.406 nan 8.360 nan 0.000 0.453 507 T N 1.450 115.994 114.554 -0.016 0.000 2.746 507 T HA -0.206 4.145 4.350 0.001 0.000 0.267 507 T C 1.753 176.388 174.700 -0.109 0.000 1.039 507 T CA 1.618 63.684 62.100 -0.057 0.000 1.142 507 T CB -0.242 68.620 68.868 -0.009 0.000 0.866 507 T HN 0.166 nan 8.240 nan 0.000 0.444 508 M N 1.287 120.819 119.600 -0.114 0.000 2.065 508 M HA -0.075 4.405 4.480 0.001 0.000 0.259 508 M C 2.142 178.320 176.300 -0.203 0.000 1.069 508 M CA 1.599 56.780 55.300 -0.198 0.000 1.110 508 M CB -0.686 31.692 32.600 -0.370 0.000 1.328 508 M HN 0.063 nan 8.290 nan 0.000 0.405 509 V N 0.378 120.193 119.914 -0.166 0.000 2.358 509 V HA -0.207 3.913 4.120 0.001 0.000 0.246 509 V C 2.404 178.450 176.094 -0.079 0.000 1.047 509 V CA 1.864 64.109 62.300 -0.093 0.000 1.035 509 V CB -0.971 30.840 31.823 -0.019 0.000 0.658 509 V HN 0.453 nan 8.190 nan 0.000 0.452 510 E N -0.044 120.095 120.200 -0.101 0.000 2.208 510 E HA -0.047 4.303 4.350 0.001 0.000 0.193 510 E C 2.173 178.597 176.600 -0.294 0.000 0.988 510 E CA 0.802 57.133 56.400 -0.115 0.000 0.828 510 E CB -0.082 29.580 29.700 -0.063 0.000 0.763 510 E HN 0.495 nan 8.360 nan 0.000 0.478 511 L N -0.401 120.557 121.223 -0.441 0.000 2.102 511 L HA 0.050 4.391 4.340 0.001 0.000 0.202 511 L C 2.476 179.130 176.870 -0.360 0.000 1.076 511 L CA 1.230 55.588 54.840 -0.804 0.000 0.761 511 L CB -1.198 40.471 42.059 -0.649 0.000 0.921 511 L HN 0.151 nan 8.230 nan 0.000 0.444 512 G N 0.307 109.067 108.800 -0.066 0.000 2.476 512 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 512 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 512 G C 1.765 176.717 174.900 0.086 0.000 1.164 512 G CA 1.127 46.334 45.100 0.178 0.000 0.768 512 G HN 0.461 nan 8.290 nan 0.000 0.560 513 A N 1.451 124.271 122.820 -0.000 0.000 1.873 513 A HA 0.103 4.424 4.320 0.001 0.000 0.215 513 A C 0.822 178.371 177.584 -0.058 0.000 1.186 513 A CA 1.925 53.971 52.037 0.016 0.000 0.616 513 A CB -1.073 17.939 19.000 0.020 0.000 0.823 513 A HN 0.386 nan 8.150 nan 0.000 0.442 514 P HA -0.114 nan 4.420 nan 0.000 0.217 514 P C 1.220 178.400 177.300 -0.201 0.000 1.150 514 P CA 0.979 63.978 63.100 -0.169 0.000 0.832 514 P CB -0.252 31.333 31.700 -0.192 0.000 0.787 515 F N -0.240 119.560 119.950 -0.251 0.000 2.069 515 F HA -0.209 4.319 4.527 0.001 0.000 0.298 515 F C 2.792 178.225 175.800 -0.612 0.000 1.113 515 F CA 1.452 59.122 58.000 -0.549 0.000 1.214 515 F CB -1.066 37.276 39.000 -1.097 0.000 0.978 515 F HN -0.056 nan 8.300 nan 0.000 0.474 516 S N 0.464 115.959 115.700 -0.341 0.000 2.368 516 S HA -0.152 4.318 4.470 0.001 0.000 0.225 516 S C 2.011 176.638 174.600 0.046 0.000 1.030 516 S CA 1.075 59.257 58.200 -0.030 0.000 0.999 516 S CB -0.470 62.891 63.200 0.268 0.000 0.844 516 S HN 0.263 nan 8.310 nan 0.000 0.459 517 L N 0.725 121.974 121.223 0.044 0.000 2.131 517 L HA -0.054 4.286 4.340 0.001 0.000 0.210 517 L C 2.694 179.643 176.870 0.132 0.000 1.092 517 L CA 0.998 55.888 54.840 0.083 0.000 0.759 517 L CB -0.358 41.743 42.059 0.070 0.000 0.903 517 L HN 0.200 nan 8.230 nan 0.000 0.435 518 K N 0.110 120.571 120.400 0.102 0.000 2.148 518 K HA -0.046 4.275 4.320 0.001 0.000 0.204 518 K C 1.984 178.643 176.600 0.098 0.000 1.050 518 K CA 1.288 57.654 56.287 0.131 0.000 0.942 518 K CB -0.425 32.088 32.500 0.022 0.000 0.724 518 K HN 0.351 nan 8.250 nan 0.000 0.446 519 G N 0.155 108.969 108.800 0.023 0.000 2.572 519 G HA2 -0.089 3.872 3.960 0.001 0.000 0.216 519 G HA3 -0.089 3.872 3.960 0.001 0.000 0.216 519 G C 1.391 176.307 174.900 0.028 0.000 1.133 519 G CA 0.157 45.238 45.100 -0.031 0.000 0.791 519 G HN 0.074 nan 8.290 nan 0.000 0.538 520 L N -0.064 121.211 121.223 0.086 0.000 2.189 520 L HA 0.302 4.642 4.340 0.001 0.000 0.199 520 L C 2.668 179.627 176.870 0.148 0.000 1.074 520 L CA 0.964 55.864 54.840 0.100 0.000 0.783 520 L CB -0.330 41.778 42.059 0.082 0.000 0.955 520 L HN 0.058 nan 8.230 nan 0.000 0.460 521 M N -1.021 118.687 119.600 0.180 0.000 2.388 521 M HA 0.173 4.653 4.480 0.001 0.000 0.265 521 M C 1.897 178.444 176.300 0.411 0.000 1.088 521 M CA 0.887 56.300 55.300 0.190 0.000 1.134 521 M CB -1.415 31.133 32.600 -0.087 0.000 1.384 521 M HN 0.288 nan 8.290 nan 0.000 0.447 522 G N 1.026 110.098 108.800 0.454 0.000 2.956 522 G HA2 -0.111 3.849 3.960 0.001 0.000 0.207 522 G HA3 -0.111 3.849 3.960 0.001 0.000 0.207 522 G C 0.609 175.694 174.900 0.308 0.000 1.162 522 G CA -0.151 45.208 45.100 0.431 0.000 0.796 522 G HN 0.381 nan 8.290 nan 0.000 0.527 523 N N 1.015 119.870 118.700 0.258 0.000 2.520 523 N HA 0.106 4.847 4.740 0.001 0.000 0.273 523 N C -1.159 174.424 175.510 0.122 0.000 1.155 523 N CA -1.589 51.554 53.050 0.156 0.000 0.967 523 N CB 2.168 40.739 38.487 0.141 0.000 1.092 523 N HN -0.091 nan 8.380 nan 0.000 0.457 524 P HA -0.139 nan 4.420 nan 0.000 0.223 524 P C 1.349 178.390 177.300 -0.432 0.000 1.144 524 P CA 1.060 63.980 63.100 -0.300 0.000 0.783 524 P CB -0.077 31.324 31.700 -0.499 0.000 0.771 525 I N -3.993 116.530 120.570 -0.079 0.000 3.291 525 I HA 0.011 4.182 4.170 0.001 0.000 0.279 525 I C 1.459 177.865 176.117 0.482 0.000 1.294 525 I CA 0.827 62.308 61.300 0.302 0.000 1.428 525 I CB -0.926 37.420 38.000 0.577 0.000 1.070 525 I HN -0.203 nan 8.210 nan 0.000 0.478 526 C N 1.302 120.750 119.300 0.247 0.000 2.697 526 C HA 0.213 4.674 4.460 0.001 0.000 0.267 526 C C 1.685 176.686 174.990 0.019 0.000 1.278 526 C CA 0.147 59.250 59.018 0.142 0.000 1.708 526 C CB -1.776 26.083 27.740 0.198 0.000 1.860 526 C HN 0.704 nan 8.230 nan 0.000 0.589 527 S N 1.712 117.303 115.700 -0.182 0.000 2.565 527 S HA 0.217 4.687 4.470 0.001 0.000 0.276 527 S C -1.585 172.909 174.600 -0.177 0.000 1.326 527 S CA -0.614 57.242 58.200 -0.573 0.000 1.045 527 S CB 0.973 63.898 63.200 -0.459 0.000 0.918 527 S HN 0.053 nan 8.310 nan 0.000 0.505 528 P HA -0.161 nan 4.420 nan 0.000 0.216 528 P C 1.476 178.697 177.300 -0.133 0.000 1.154 528 P CA 1.344 64.134 63.100 -0.516 0.000 0.865 528 P CB 0.045 31.334 31.700 -0.685 0.000 0.789 529 Q N -2.627 117.140 119.800 -0.055 0.000 2.435 529 Q HA -0.055 4.286 4.340 0.001 0.000 0.207 529 Q C 1.799 177.789 176.000 -0.017 0.000 0.956 529 Q CA 1.093 56.882 55.803 -0.024 0.000 0.917 529 Q CB -0.292 28.434 28.738 -0.021 0.000 0.997 529 Q HN 0.496 nan 8.270 nan 0.000 0.497 530 Y N -1.754 118.528 120.300 -0.031 0.000 2.389 530 Y HA -0.010 4.541 4.550 0.001 0.000 0.292 530 Y C 1.205 177.148 175.900 0.072 0.000 1.117 530 Y CA -0.200 57.895 58.100 -0.009 0.000 1.195 530 Y CB 0.328 38.832 38.460 0.074 0.000 1.076 530 Y HN 0.178 nan 8.280 nan 0.000 0.548 531 W N 5.106 126.525 121.300 0.199 0.000 1.564 531 W HA 0.182 4.842 4.660 0.001 0.000 0.480 531 W C -0.582 176.007 176.519 0.118 0.000 0.699 531 W CA 0.281 57.809 57.345 0.306 0.000 1.985 531 W CB -0.558 29.159 29.460 0.427 0.000 1.738 531 W HN 0.077 nan 8.180 nan 0.000 0.218 532 K N 2.662 122.861 120.400 -0.334 0.000 2.575 532 K HA 0.374 4.695 4.320 0.001 0.000 0.279 532 K C -2.664 173.481 176.600 -0.757 0.000 0.969 532 K CA -1.391 54.555 56.287 -0.568 0.000 0.868 532 K CB 1.652 33.988 32.500 -0.273 0.000 1.457 532 K HN -0.271 nan 8.250 nan 0.000 0.426 533 P HA -0.189 nan 4.420 nan 0.000 0.218 533 P C 1.164 178.322 177.300 -0.237 0.000 1.149 533 P CA 1.517 64.274 63.100 -0.572 0.000 0.817 533 P CB 0.068 31.568 31.700 -0.334 0.000 0.785 534 S N -1.662 113.899 115.700 -0.232 0.000 2.419 534 S HA -0.134 4.336 4.470 0.001 0.000 0.233 534 S C 1.848 176.325 174.600 -0.206 0.000 1.016 534 S CA 1.675 59.793 58.200 -0.137 0.000 0.974 534 S CB -2.041 61.090 63.200 -0.116 0.000 0.786 534 S HN 0.105 nan 8.310 nan 0.000 0.492 535 T N 1.668 115.959 114.554 -0.440 0.000 2.737 535 T HA -0.048 4.303 4.350 0.001 0.000 0.269 535 T C 0.652 175.006 174.700 -0.576 0.000 1.040 535 T CA 1.479 63.177 62.100 -0.670 0.000 1.142 535 T CB -0.510 67.678 68.868 -1.133 0.000 0.861 535 T HN 0.664 nan 8.240 nan 0.000 0.456 536 F N -0.226 119.740 119.950 0.028 0.000 2.668 536 F HA 0.498 5.026 4.527 0.001 0.000 0.301 536 F C 1.572 177.472 175.800 0.167 0.000 1.106 536 F CA -0.373 57.693 58.000 0.110 0.000 1.289 536 F CB 0.474 39.562 39.000 0.147 0.000 1.006 536 F HN 0.197 nan 8.300 nan 0.000 0.535 537 G N 0.175 109.154 108.800 0.299 0.000 2.144 537 G HA2 0.178 4.139 3.960 0.001 0.000 0.218 537 G HA3 0.178 4.139 3.960 0.001 0.000 0.218 537 G C 0.500 175.562 174.900 0.271 0.000 0.988 537 G CA -0.182 45.129 45.100 0.350 0.000 0.659 537 G HN 1.183 nan 8.290 nan 0.000 0.522 538 G N -1.180 107.733 108.800 0.189 0.000 2.409 538 G HA2 0.229 4.190 3.960 0.001 0.000 0.421 538 G HA3 0.229 4.190 3.960 0.001 0.000 0.421 538 G C 0.357 175.340 174.900 0.138 0.000 1.259 538 G CA 0.572 45.747 45.100 0.125 0.000 1.011 538 G HN 0.463 nan 8.290 nan 0.000 0.497 539 E N -0.546 119.718 120.200 0.107 0.000 2.106 539 E HA -0.054 4.297 4.350 0.001 0.000 0.192 539 E C 2.927 179.617 176.600 0.151 0.000 0.984 539 E CA 1.446 57.935 56.400 0.148 0.000 0.806 539 E CB -0.407 29.354 29.700 0.101 0.000 0.750 539 E HN 0.433 nan 8.360 nan 0.000 0.458 540 V N 1.127 121.099 119.914 0.097 0.000 2.282 540 V HA -0.267 3.854 4.120 0.001 0.000 0.249 540 V C 2.392 178.552 176.094 0.110 0.000 1.057 540 V CA 2.183 64.528 62.300 0.075 0.000 1.032 540 V CB -1.164 30.679 31.823 0.033 0.000 0.645 540 V HN 0.340 nan 8.190 nan 0.000 0.447 541 G N -1.133 107.764 108.800 0.162 0.000 2.453 541 G HA2 -0.293 3.667 3.960 0.001 0.000 0.215 541 G HA3 -0.293 3.667 3.960 0.001 0.000 0.215 541 G C 1.522 176.541 174.900 0.197 0.000 1.201 541 G CA 0.900 46.119 45.100 0.199 0.000 0.784 541 G HN 0.408 nan 8.290 nan 0.000 0.545 542 F N 1.859 121.841 119.950 0.053 0.000 2.147 542 F HA -0.123 4.404 4.527 0.001 0.000 0.301 542 F C 2.493 178.244 175.800 -0.081 0.000 1.084 542 F CA 1.811 59.772 58.000 -0.065 0.000 1.268 542 F CB -0.171 38.820 39.000 -0.016 0.000 1.009 542 F HN 0.194 nan 8.300 nan 0.000 0.486 543 K N 0.128 120.541 120.400 0.022 0.000 2.211 543 K HA -0.133 4.187 4.320 0.001 0.000 0.203 543 K C 2.145 178.721 176.600 -0.040 0.000 1.050 543 K CA 1.369 57.624 56.287 -0.053 0.000 0.945 543 K CB -0.209 32.296 32.500 0.008 0.000 0.732 543 K HN 0.334 nan 8.250 nan 0.000 0.451 544 I N 1.088 121.655 120.570 -0.004 0.000 2.142 544 I HA -0.309 3.862 4.170 0.001 0.000 0.240 544 I C 2.152 178.273 176.117 0.007 0.000 1.078 544 I CA 1.241 62.549 61.300 0.014 0.000 1.343 544 I CB -0.192 37.834 38.000 0.042 0.000 1.046 544 I HN 0.148 nan 8.210 nan 0.000 0.405 545 I N 0.794 121.343 120.570 -0.035 0.000 2.127 545 I HA -0.311 3.860 4.170 0.001 0.000 0.241 545 I C 1.630 177.780 176.117 0.055 0.000 1.075 545 I CA 1.481 62.786 61.300 0.009 0.000 1.334 545 I CB -0.591 37.359 38.000 -0.083 0.000 1.040 545 I HN 0.326 nan 8.210 nan 0.000 0.405 546 N N 0.367 119.018 118.700 -0.081 0.000 2.461 546 N HA -0.033 4.708 4.740 0.001 0.000 0.188 546 N C 1.082 176.586 175.510 -0.009 0.000 1.134 546 N CA 1.210 54.225 53.050 -0.058 0.000 0.878 546 N CB 0.086 38.412 38.487 -0.268 0.000 0.972 546 N HN 0.511 nan 8.380 nan 0.000 0.456 547 T N -3.898 110.659 114.554 0.005 0.000 3.209 547 T HA 0.457 4.807 4.350 0.001 0.000 0.295 547 T C 0.476 175.193 174.700 0.029 0.000 0.977 547 T CA -0.549 61.562 62.100 0.017 0.000 0.922 547 T CB 0.290 69.160 68.868 0.003 0.000 1.152 547 T HN 0.065 nan 8.240 nan 0.000 0.527 548 A N 1.872 124.720 122.820 0.048 0.000 2.386 548 A HA 0.747 5.068 4.320 0.001 0.000 0.248 548 A C 0.606 178.214 177.584 0.039 0.000 1.082 548 A CA -0.018 52.048 52.037 0.049 0.000 0.789 548 A CB 0.225 19.277 19.000 0.086 0.000 1.025 548 A HN 1.183 nan 8.150 nan 0.000 0.490 549 S N 0.428 116.134 115.700 0.009 0.000 2.615 549 S HA 0.441 4.911 4.470 0.001 0.000 0.269 549 S C 0.307 174.864 174.600 -0.072 0.000 1.161 549 S CA -0.096 58.092 58.200 -0.020 0.000 0.817 549 S CB 0.450 63.629 63.200 -0.035 0.000 1.131 549 S HN 0.982 nan 8.310 nan 0.000 0.467 550 I N 1.093 121.576 120.570 -0.144 0.000 2.493 550 I HA -0.008 4.162 4.170 0.001 0.000 0.254 550 I C 2.374 178.334 176.117 -0.260 0.000 1.160 550 I CA 1.835 62.984 61.300 -0.252 0.000 1.445 550 I CB -0.452 37.202 38.000 -0.576 0.000 1.086 550 I HN 0.891 nan 8.210 nan 0.000 0.433 551 Q N 0.075 119.733 119.800 -0.238 0.000 2.187 551 Q HA -0.106 4.235 4.340 0.001 0.000 0.199 551 Q C 2.231 178.148 176.000 -0.138 0.000 0.957 551 Q CA 1.925 57.596 55.803 -0.221 0.000 0.857 551 Q CB -0.349 28.270 28.738 -0.199 0.000 0.929 551 Q HN 0.595 nan 8.270 nan 0.000 0.453 552 S N -0.310 115.328 115.700 -0.103 0.000 2.395 552 S HA -0.076 4.394 4.470 0.001 0.000 0.225 552 S C 1.836 176.377 174.600 -0.098 0.000 1.027 552 S CA 0.703 58.858 58.200 -0.075 0.000 0.965 552 S CB -0.602 62.570 63.200 -0.046 0.000 0.812 552 S HN 0.398 nan 8.310 nan 0.000 0.482 553 L N 1.207 122.352 121.223 -0.130 0.000 2.043 553 L HA 0.000 4.341 4.340 0.001 0.000 0.212 553 L C 2.060 178.815 176.870 -0.191 0.000 1.075 553 L CA 1.611 56.334 54.840 -0.195 0.000 0.752 553 L CB -0.765 41.127 42.059 -0.279 0.000 0.891 553 L HN 0.251 nan 8.230 nan 0.000 0.432 554 I N -1.150 119.321 120.570 -0.165 0.000 2.202 554 I HA -0.263 3.907 4.170 0.001 0.000 0.242 554 I C 2.753 178.800 176.117 -0.116 0.000 1.091 554 I CA 1.515 62.727 61.300 -0.147 0.000 1.368 554 I CB -0.935 36.976 38.000 -0.148 0.000 1.058 554 I HN 0.523 nan 8.210 nan 0.000 0.410 555 c N 1.167 119.710 118.600 -0.096 0.000 2.429 555 c HA -0.145 4.425 4.570 0.001 0.000 0.277 555 c C 2.718 176.771 174.090 -0.062 0.000 1.262 555 c CA 1.075 57.365 56.329 -0.065 0.000 1.733 555 c CB -1.345 41.138 42.510 -0.045 0.000 2.010 555 c HN 0.519 nan 8.230 nan 0.000 0.483 556 N N 1.290 119.949 118.700 -0.068 0.000 2.381 556 N HA -0.051 4.689 4.740 0.001 0.000 0.182 556 N C 0.791 176.258 175.510 -0.072 0.000 1.025 556 N CA 1.108 54.121 53.050 -0.060 0.000 0.888 556 N CB -0.430 38.024 38.487 -0.056 0.000 0.965 556 N HN 0.699 nan 8.380 nan 0.000 0.438 557 N N -0.178 118.466 118.700 -0.094 0.000 2.170 557 N HA 0.112 4.852 4.740 0.001 0.000 0.222 557 N C -0.746 174.692 175.510 -0.119 0.000 1.218 557 N CA 0.105 53.090 53.050 -0.109 0.000 0.889 557 N CB 2.029 40.438 38.487 -0.131 0.000 1.083 557 N HN -0.107 nan 8.380 nan 0.000 0.520 558 V N 1.349 121.201 119.914 -0.103 0.000 2.577 558 V HA 0.210 4.330 4.120 0.001 0.000 0.303 558 V C 0.231 176.282 176.094 -0.071 0.000 1.042 558 V CA -1.191 61.050 62.300 -0.099 0.000 0.872 558 V CB 2.905 34.669 31.823 -0.099 0.000 0.998 558 V HN -0.022 nan 8.190 nan 0.000 0.423 559 K N 2.735 123.094 120.400 -0.068 0.000 2.472 559 K HA 0.310 4.630 4.320 0.001 0.000 0.280 559 K C 1.215 177.796 176.600 -0.031 0.000 1.028 559 K CA 1.376 57.634 56.287 -0.047 0.000 1.045 559 K CB 0.055 32.529 32.500 -0.045 0.000 0.902 559 K HN 1.234 nan 8.250 nan 0.000 0.478 560 G N 2.926 111.712 108.800 -0.024 0.000 2.199 560 G HA2 -0.329 3.632 3.960 0.001 0.000 0.254 560 G HA3 -0.329 3.632 3.960 0.001 0.000 0.254 560 G C 0.313 175.208 174.900 -0.009 0.000 0.982 560 G CA -0.184 44.909 45.100 -0.013 0.000 0.632 560 G HN 1.202 nan 8.290 nan 0.000 0.529 561 c N 1.000 119.589 118.600 -0.018 0.000 3.442 561 c HA -0.060 4.510 4.570 0.001 0.000 0.288 561 c C -0.486 173.609 174.090 0.008 0.000 1.238 561 c CA -0.175 56.145 56.329 -0.014 0.000 2.320 561 c CB -1.799 40.706 42.510 -0.007 0.000 1.459 561 c HN 0.821 nan 8.230 nan 0.000 0.544 562 P HA 0.288 nan 4.420 nan 0.000 0.275 562 P C -0.144 177.186 177.300 0.050 0.000 1.228 562 P CA -0.107 63.012 63.100 0.031 0.000 0.786 562 P CB 0.436 32.139 31.700 0.006 0.000 0.927 563 F N 1.940 121.868 119.950 -0.037 0.000 2.506 563 F HA 0.384 4.911 4.527 0.001 0.000 0.351 563 F C 0.528 176.299 175.800 -0.047 0.000 1.136 563 F CA 1.059 59.033 58.000 -0.043 0.000 1.298 563 F CB 0.725 39.703 39.000 -0.036 0.000 1.145 563 F HN 0.319 nan 8.300 nan 0.000 0.593 564 T N 3.034 116.873 114.554 -1.191 0.000 2.762 564 T HA 0.616 4.967 4.350 0.001 0.000 0.301 564 T C -1.512 172.581 174.700 -1.012 0.000 1.299 564 T CA -0.196 61.400 62.100 -0.840 0.000 1.005 564 T CB 1.263 69.878 68.868 -0.421 0.000 1.377 564 T HN 0.937 nan 8.240 nan 0.000 0.504 565 S N -0.106 115.235 115.700 -0.598 0.000 2.622 565 S HA 0.404 4.875 4.470 0.001 0.000 0.275 565 S C -1.102 173.287 174.600 -0.351 0.000 1.112 565 S CA -0.608 57.296 58.200 -0.495 0.000 0.837 565 S CB 0.133 63.161 63.200 -0.286 0.000 1.082 565 S HN 0.614 nan 8.310 nan 0.000 0.456 566 F N 2.255 122.089 119.950 -0.193 0.000 2.731 566 F HA 0.254 4.781 4.527 0.001 0.000 0.304 566 F C 1.010 176.498 175.800 -0.520 0.000 1.133 566 F CA -0.237 57.599 58.000 -0.273 0.000 1.380 566 F CB -0.028 38.790 39.000 -0.303 0.000 1.079 566 F HN 0.671 nan 8.300 nan 0.000 0.550 567 N N -2.130 116.482 118.700 -0.146 0.000 2.262 567 N HA 0.472 5.212 4.740 0.001 0.000 0.295 567 N C -1.108 174.409 175.510 0.012 0.000 1.161 567 N CA -0.838 52.165 53.050 -0.078 0.000 0.767 567 N CB 1.547 40.046 38.487 0.019 0.000 1.499 567 N HN -0.242 nan 8.380 nan 0.000 0.476 568 V N 0.758 120.689 119.914 0.029 0.000 3.051 568 V HA 0.114 4.235 4.120 0.001 0.000 0.306 568 V C 0.396 176.525 176.094 0.057 0.000 1.083 568 V CA -0.165 62.164 62.300 0.048 0.000 1.104 568 V CB 1.041 32.888 31.823 0.039 0.000 1.027 568 V HN 0.696 nan 8.190 nan 0.000 0.483 569 Q N 0.000 119.839 119.800 0.064 0.000 2.315 569 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 569 Q CA 0.000 55.839 55.803 0.061 0.000 1.022 569 Q CB 0.000 28.786 28.738 0.080 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481