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 3ntg_1_A 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 0.000 177.626 177.584 0.070 0.000 1.274 18 A CA 0.000 52.074 52.037 0.062 0.000 0.836 18 A CB 0.000 19.040 19.000 0.067 0.000 0.831 19 N N 2.563 121.297 118.700 0.056 0.000 2.301 19 N HA 0.059 4.807 4.740 0.013 0.000 0.267 19 N C -1.520 174.007 175.510 0.028 0.000 1.304 19 N CA -0.251 52.825 53.050 0.043 0.000 0.851 19 N CB 1.102 39.605 38.487 0.027 0.000 1.070 19 N HN 0.280 nan 8.380 nan 0.000 0.483 20 P HA -0.013 nan 4.420 nan 0.000 0.230 20 P C 0.615 177.870 177.300 -0.075 0.000 1.158 20 P CA 0.642 63.768 63.100 0.044 0.000 0.769 20 P CB 0.080 31.865 31.700 0.141 0.000 0.807 21 c N -1.194 117.356 118.600 -0.083 0.000 2.613 21 c HA 0.115 4.693 4.570 0.013 0.000 0.273 21 c C 2.663 176.669 174.090 -0.141 0.000 1.304 21 c CA -0.214 56.013 56.329 -0.170 0.000 1.702 21 c CB -2.374 40.078 42.510 -0.096 0.000 1.792 21 c HN 0.346 nan 8.230 nan 0.000 0.588 22 c N 1.359 119.904 118.600 -0.092 0.000 2.422 22 c HA -0.090 4.488 4.570 0.013 0.000 0.279 22 c C 2.851 176.891 174.090 -0.083 0.000 1.305 22 c CA 1.934 58.224 56.329 -0.065 0.000 1.757 22 c CB -1.230 41.264 42.510 -0.027 0.000 1.962 22 c HN 0.814 nan 8.230 nan 0.000 0.499 23 S N 0.353 115.983 115.700 -0.116 0.000 2.607 23 S HA -0.010 4.467 4.470 0.013 0.000 0.224 23 S C 0.352 174.871 174.600 -0.135 0.000 0.969 23 S CA 0.317 58.452 58.200 -0.109 0.000 0.927 23 S CB -0.654 62.485 63.200 -0.102 0.000 0.772 23 S HN 0.672 nan 8.310 nan 0.000 0.533 24 N N 1.652 120.252 118.700 -0.166 0.000 2.708 24 N HA -0.086 4.662 4.740 0.013 0.000 0.255 24 N C -1.926 173.474 175.510 -0.184 0.000 1.046 24 N CA 1.002 53.951 53.050 -0.169 0.000 0.715 24 N CB -1.351 37.053 38.487 -0.139 0.000 0.895 24 N HN 0.472 nan 8.380 nan 0.000 0.545 25 P HA -0.012 nan 4.420 nan 0.000 0.218 25 P C 0.312 177.542 177.300 -0.117 0.000 1.152 25 P CA 0.671 63.629 63.100 -0.236 0.000 0.826 25 P CB 0.147 31.520 31.700 -0.545 0.000 0.790 26 c N 2.821 121.358 118.600 -0.105 0.000 2.629 26 c HA 0.291 4.869 4.570 0.013 0.000 0.410 26 c C 0.823 174.856 174.090 -0.095 0.000 1.339 26 c CA -0.567 55.735 56.329 -0.044 0.000 1.810 26 c CB -0.791 41.714 42.510 -0.009 0.000 2.549 26 c HN 0.283 nan 8.230 nan 0.000 0.589 27 Q N 1.786 121.515 119.800 -0.118 0.000 2.195 27 Q HA 0.319 4.667 4.340 0.013 0.000 0.250 27 Q C 0.387 176.245 176.000 -0.237 0.000 0.988 27 Q CA -0.418 55.271 55.803 -0.189 0.000 0.911 27 Q CB 0.462 29.059 28.738 -0.234 0.000 1.258 27 Q HN 0.762 nan 8.270 nan 0.000 0.475 28 N N 1.279 119.807 118.700 -0.287 0.000 2.735 28 N HA -0.222 4.526 4.740 0.013 0.000 0.248 28 N C -0.640 174.791 175.510 -0.133 0.000 1.083 28 N CA 0.906 53.773 53.050 -0.304 0.000 0.703 28 N CB -0.412 37.633 38.487 -0.738 0.000 1.005 28 N HN 0.664 nan 8.380 nan 0.000 0.550 29 R N -4.271 116.162 120.500 -0.111 0.000 3.963 29 R HA -0.136 4.211 4.340 0.013 0.000 0.394 29 R C 0.893 177.181 176.300 -0.020 0.000 1.131 29 R CA 1.173 57.236 56.100 -0.062 0.000 1.059 29 R CB -2.320 27.957 30.300 -0.038 0.000 1.614 29 R HN 0.453 nan 8.270 nan 0.000 0.546 30 G N 1.186 109.970 108.800 -0.027 0.000 2.554 30 G HA2 0.224 4.192 3.960 0.013 0.000 0.238 30 G HA3 0.224 4.192 3.960 0.013 0.000 0.238 30 G C -0.106 174.804 174.900 0.016 0.000 1.259 30 G CA -0.236 44.870 45.100 0.011 0.000 0.843 30 G HN 0.216 nan 8.290 nan 0.000 0.582 31 E N -0.173 120.055 120.200 0.047 0.000 2.166 31 E HA 0.289 4.647 4.350 0.013 0.000 0.275 31 E C -0.691 175.947 176.600 0.063 0.000 0.941 31 E CA -0.592 55.845 56.400 0.062 0.000 0.784 31 E CB 1.917 31.678 29.700 0.103 0.000 1.115 31 E HN 0.397 nan 8.360 nan 0.000 0.399 32 c N 4.831 123.455 118.600 0.040 0.000 2.369 32 c HA 0.581 5.158 4.570 0.013 0.000 0.358 32 c C -0.291 173.840 174.090 0.068 0.000 1.274 32 c CA -0.363 55.998 56.329 0.052 0.000 1.935 32 c CB -0.475 42.016 42.510 -0.033 0.000 2.431 32 c HN 0.797 nan 8.230 nan 0.000 0.545 33 M N 5.922 125.581 119.600 0.097 0.000 2.267 33 M HA 0.381 4.868 4.480 0.013 0.000 0.289 33 M C 0.092 176.443 176.300 0.085 0.000 1.043 33 M CA -0.082 55.261 55.300 0.071 0.000 0.928 33 M CB 1.982 34.615 32.600 0.055 0.000 1.613 33 M HN 0.825 nan 8.290 nan 0.000 0.450 34 S N 2.563 118.292 115.700 0.049 0.000 2.568 34 S HA 0.255 4.732 4.470 0.013 0.000 0.282 34 S C 0.562 175.159 174.600 -0.004 0.000 1.338 34 S CA 0.327 58.549 58.200 0.038 0.000 1.045 34 S CB 0.494 63.687 63.200 -0.011 0.000 0.873 34 S HN 0.803 nan 8.310 nan 0.000 0.516 35 T N -1.665 112.883 114.554 -0.010 0.000 3.393 35 T HA 0.629 4.987 4.350 0.013 0.000 0.298 35 T C 0.445 175.106 174.700 -0.064 0.000 1.004 35 T CA -0.047 62.029 62.100 -0.040 0.000 0.956 35 T CB -0.395 68.456 68.868 -0.028 0.000 1.182 35 T HN 1.701 nan 8.240 nan 0.000 0.497 36 G N 0.162 108.896 108.800 -0.110 0.000 2.353 36 G HA2 0.292 4.260 3.960 0.013 0.000 0.308 36 G HA3 0.292 4.260 3.960 0.013 0.000 0.308 36 G C -0.349 174.473 174.900 -0.129 0.000 1.418 36 G CA -0.800 44.217 45.100 -0.138 0.000 0.966 36 G HN 0.009 nan 8.290 nan 0.000 0.638 37 F N -0.043 119.921 119.950 0.023 0.000 2.216 37 F HA 0.074 4.608 4.527 0.012 0.000 0.300 37 F C 1.982 177.804 175.800 0.036 0.000 1.085 37 F CA 1.865 59.880 58.000 0.026 0.000 1.326 37 F CB 0.339 39.351 39.000 0.020 0.000 1.027 37 F HN 0.353 nan 8.300 nan 0.000 0.497 38 D N -0.901 119.617 120.400 0.197 0.000 2.563 38 D HA 0.138 4.786 4.640 0.013 0.000 0.237 38 D C -0.264 176.112 176.300 0.126 0.000 1.282 38 D CA 0.246 54.334 54.000 0.147 0.000 0.816 38 D CB 0.529 41.405 40.800 0.127 0.000 1.066 38 D HN 0.306 nan 8.370 nan 0.000 0.501 39 Q N 0.144 120.012 119.800 0.113 0.000 2.421 39 Q HA 0.513 4.861 4.340 0.013 0.000 0.280 39 Q C -0.965 175.119 176.000 0.141 0.000 1.085 39 Q CA -0.991 54.866 55.803 0.091 0.000 0.807 39 Q CB 2.124 30.864 28.738 0.004 0.000 1.405 39 Q HN 0.175 nan 8.270 nan 0.000 0.419 40 Y N -1.578 118.722 120.300 0.000 0.000 2.665 40 Y HA 0.868 5.425 4.550 0.013 0.000 0.336 40 Y C -1.143 174.756 175.900 -0.002 0.000 1.085 40 Y CA -1.286 56.811 58.100 -0.005 0.000 1.096 40 Y CB 1.904 40.362 38.460 -0.004 0.000 1.301 40 Y HN 0.626 nan 8.280 nan 0.000 0.493 41 K N 0.877 121.334 120.400 0.095 0.000 2.502 41 K HA 0.718 5.046 4.320 0.013 0.000 0.257 41 K C -2.093 174.603 176.600 0.159 0.000 0.938 41 K CA -0.533 55.761 56.287 0.012 0.000 0.819 41 K CB 2.061 34.552 32.500 -0.015 0.000 1.333 41 K HN 0.953 nan 8.250 nan 0.000 0.434 42 c N 1.920 120.600 118.600 0.134 0.000 2.358 42 c HA 0.410 4.987 4.570 0.013 0.000 0.342 42 c C -0.689 173.452 174.090 0.086 0.000 1.234 42 c CA -0.624 55.785 56.329 0.134 0.000 1.969 42 c CB 0.829 43.424 42.510 0.142 0.000 2.346 42 c HN 0.765 nan 8.230 nan 0.000 0.525 43 D N 1.309 121.755 120.400 0.077 0.000 2.373 43 D HA 0.268 4.916 4.640 0.013 0.000 0.227 43 D C 0.173 176.516 176.300 0.071 0.000 1.091 43 D CA -0.264 53.776 54.000 0.066 0.000 0.840 43 D CB 0.938 41.774 40.800 0.060 0.000 1.060 43 D HN 0.646 nan 8.370 nan 0.000 0.502 44 c N 2.563 121.213 118.600 0.084 0.000 2.754 44 c HA 0.147 4.725 4.570 0.013 0.000 0.276 44 c C 0.857 175.009 174.090 0.103 0.000 1.264 44 c CA -0.305 56.088 56.329 0.107 0.000 1.700 44 c CB -1.316 41.285 42.510 0.151 0.000 1.885 44 c HN 0.559 nan 8.230 nan 0.000 0.607 45 T N 2.156 116.754 114.554 0.074 0.000 2.718 45 T HA -0.047 4.311 4.350 0.013 0.000 0.265 45 T C 0.914 175.649 174.700 0.060 0.000 1.014 45 T CA 0.849 62.983 62.100 0.057 0.000 1.172 45 T CB -0.142 68.750 68.868 0.039 0.000 1.007 45 T HN 0.646 nan 8.240 nan 0.000 0.500 46 R N 0.180 120.714 120.500 0.057 0.000 3.863 46 R HA -0.228 4.119 4.340 0.013 0.000 0.313 46 R C 1.717 178.062 176.300 0.076 0.000 1.202 46 R CA 1.202 57.332 56.100 0.050 0.000 0.852 46 R CB -2.464 27.853 30.300 0.028 0.000 1.292 46 R HN 0.916 nan 8.270 nan 0.000 0.519 47 T N -4.424 110.203 114.554 0.122 0.000 3.043 47 T HA 0.188 4.546 4.350 0.013 0.000 0.263 47 T C 1.590 176.449 174.700 0.264 0.000 1.094 47 T CA 0.900 63.114 62.100 0.189 0.000 1.127 47 T CB 0.586 69.585 68.868 0.217 0.000 0.905 47 T HN 0.735 nan 8.240 nan 0.000 0.490 48 G N 0.571 109.463 108.800 0.152 0.000 2.176 48 G HA2 -0.145 3.822 3.960 0.013 0.000 0.253 48 G HA3 -0.145 3.822 3.960 0.013 0.000 0.253 48 G C -0.114 174.667 174.900 -0.198 0.000 0.979 48 G CA 0.069 45.153 45.100 -0.026 0.000 0.641 48 G HN 0.565 nan 8.290 nan 0.000 0.530 49 F N -0.775 119.223 119.950 0.080 0.000 2.640 49 F HA 0.819 5.354 4.527 0.013 0.000 0.324 49 F C 0.272 176.172 175.800 0.167 0.000 1.077 49 F CA -0.972 57.062 58.000 0.058 0.000 0.965 49 F CB 1.360 40.347 39.000 -0.020 0.000 1.351 49 F HN 0.252 nan 8.300 nan 0.000 0.487 50 Y N -1.294 119.141 120.300 0.225 0.000 2.889 50 Y HA 0.924 5.483 4.550 0.014 0.000 0.317 50 Y C -0.056 175.913 175.900 0.114 0.000 1.414 50 Y CA -1.651 56.528 58.100 0.131 0.000 1.091 50 Y CB 1.148 39.655 38.460 0.079 0.000 1.358 50 Y HN 1.075 nan 8.280 nan 0.000 0.487 51 G N 0.164 109.113 108.800 0.248 0.000 2.612 51 G HA2 -0.183 3.785 3.960 0.013 0.000 0.686 51 G HA3 -0.183 3.785 3.960 0.013 0.000 0.686 51 G C 0.147 175.098 174.900 0.085 0.000 1.274 51 G CA -0.105 45.065 45.100 0.117 0.000 0.849 51 G HN 1.164 nan 8.290 nan 0.000 0.595 52 E N -0.363 119.868 120.200 0.052 0.000 2.130 52 E HA -0.188 4.170 4.350 0.013 0.000 0.196 52 E C 1.485 178.131 176.600 0.078 0.000 0.998 52 E CA 1.731 58.148 56.400 0.028 0.000 0.806 52 E CB -0.057 29.639 29.700 -0.007 0.000 0.738 52 E HN 0.384 nan 8.360 nan 0.000 0.459 53 N N -0.948 117.797 118.700 0.075 0.000 2.200 53 N HA 0.085 4.833 4.740 0.013 0.000 0.224 53 N C -0.647 174.869 175.510 0.010 0.000 1.179 53 N CA 0.450 53.548 53.050 0.079 0.000 0.877 53 N CB 0.531 39.054 38.487 0.060 0.000 1.072 53 N HN 0.127 nan 8.380 nan 0.000 0.519 54 c N 0.850 119.464 118.600 0.024 0.000 4.300 54 c HA -0.111 4.466 4.570 0.013 0.000 0.304 54 c C 1.589 175.614 174.090 -0.108 0.000 1.367 54 c CA 1.063 57.401 56.329 0.014 0.000 2.032 54 c CB -3.071 39.444 42.510 0.009 0.000 1.285 54 c HN 0.562 nan 8.230 nan 0.000 0.737 55 T N -4.846 109.665 114.554 -0.071 0.000 3.010 55 T HA 0.172 4.529 4.350 0.013 0.000 0.257 55 T C 0.303 175.039 174.700 0.061 0.000 1.020 55 T CA 0.410 62.453 62.100 -0.096 0.000 0.938 55 T CB 0.265 69.082 68.868 -0.086 0.000 1.049 55 T HN 0.546 nan 8.240 nan 0.000 0.522 56 T N 5.814 120.344 114.554 -0.041 0.000 2.747 56 T HA 0.388 4.746 4.350 0.013 0.000 0.301 56 T C -2.639 171.888 174.700 -0.289 0.000 0.952 56 T CA -1.255 60.685 62.100 -0.266 0.000 0.983 56 T CB 1.142 69.596 68.868 -0.690 0.000 0.930 56 T HN 0.206 nan 8.240 nan 0.000 0.494 57 P HA 0.233 nan 4.420 nan 0.000 0.274 57 P C -0.150 177.047 177.300 -0.172 0.000 1.231 57 P CA -0.466 62.413 63.100 -0.367 0.000 0.790 57 P CB 1.070 32.580 31.700 -0.317 0.000 0.951 58 E N 0.531 120.643 120.200 -0.148 0.000 2.349 58 E HA 0.065 4.422 4.350 0.013 0.000 0.262 58 E C 0.765 177.394 176.600 0.047 0.000 1.088 58 E CA -0.440 56.012 56.400 0.087 0.000 0.899 58 E CB 0.168 29.900 29.700 0.055 0.000 1.044 58 E HN 0.358 nan 8.360 nan 0.000 0.420 59 F N 2.234 122.182 119.950 -0.004 0.000 2.063 59 F HA -0.262 4.272 4.527 0.012 0.000 0.298 59 F C 1.755 177.527 175.800 -0.047 0.000 1.109 59 F CA 1.600 59.587 58.000 -0.021 0.000 1.212 59 F CB -0.384 38.612 39.000 -0.008 0.000 0.973 59 F HN 0.466 nan 8.300 nan 0.000 0.480 60 L N 0.024 121.055 121.223 -0.320 0.000 2.127 60 L HA -0.213 4.134 4.340 0.013 0.000 0.211 60 L C 2.267 178.951 176.870 -0.311 0.000 1.089 60 L CA 2.369 56.969 54.840 -0.399 0.000 0.757 60 L CB -0.930 41.012 42.059 -0.194 0.000 0.899 60 L HN 0.260 nan 8.230 nan 0.000 0.434 61 T N -1.051 113.347 114.554 -0.260 0.000 2.857 61 T HA -0.119 4.239 4.350 0.013 0.000 0.266 61 T C 1.931 176.484 174.700 -0.246 0.000 1.048 61 T CA 1.179 63.103 62.100 -0.294 0.000 1.139 61 T CB -0.165 68.395 68.868 -0.513 0.000 0.874 61 T HN 0.360 nan 8.240 nan 0.000 0.455 62 R N 0.338 120.711 120.500 -0.211 0.000 2.096 62 R HA -0.017 4.331 4.340 0.013 0.000 0.235 62 R C 2.191 178.416 176.300 -0.125 0.000 1.127 62 R CA 1.056 57.082 56.100 -0.123 0.000 0.968 62 R CB -0.523 29.753 30.300 -0.041 0.000 0.861 62 R HN 0.274 nan 8.270 nan 0.000 0.440 63 I N 1.447 121.887 120.570 -0.216 0.000 2.202 63 I HA -0.238 3.940 4.170 0.013 0.000 0.242 63 I C 2.001 178.043 176.117 -0.126 0.000 1.091 63 I CA 1.605 62.789 61.300 -0.194 0.000 1.368 63 I CB -0.204 37.608 38.000 -0.314 0.000 1.058 63 I HN 0.028 nan 8.210 nan 0.000 0.410 64 K N -0.138 120.184 120.400 -0.131 0.000 2.097 64 K HA -0.075 4.253 4.320 0.013 0.000 0.205 64 K C 2.040 178.620 176.600 -0.033 0.000 1.050 64 K CA 1.137 57.379 56.287 -0.075 0.000 0.938 64 K CB -0.270 32.184 32.500 -0.076 0.000 0.718 64 K HN 0.275 nan 8.250 nan 0.000 0.442 65 L N 0.575 121.778 121.223 -0.032 0.000 2.275 65 L HA -0.158 4.189 4.340 0.013 0.000 0.215 65 L C 1.877 178.750 176.870 0.006 0.000 1.119 65 L CA 0.454 55.300 54.840 0.009 0.000 0.790 65 L CB -0.189 41.888 42.059 0.029 0.000 0.919 65 L HN 0.136 nan 8.230 nan 0.000 0.443 66 L N -1.247 119.968 121.223 -0.014 0.000 2.162 66 L HA -0.107 4.241 4.340 0.013 0.000 0.205 66 L C 2.083 178.948 176.870 -0.009 0.000 1.086 66 L CA 1.289 56.123 54.840 -0.009 0.000 0.778 66 L CB -0.420 41.630 42.059 -0.015 0.000 0.928 66 L HN 0.105 nan 8.230 nan 0.000 0.446 67 L N -0.797 120.416 121.223 -0.017 0.000 2.341 67 L HA 0.009 4.356 4.340 0.013 0.000 0.214 67 L C 1.183 178.054 176.870 0.003 0.000 1.115 67 L CA 0.787 55.619 54.840 -0.015 0.000 0.820 67 L CB -0.559 41.483 42.059 -0.029 0.000 0.944 67 L HN 0.070 nan 8.230 nan 0.000 0.452 68 K N 2.134 122.544 120.400 0.016 0.000 2.349 68 K HA 0.168 4.496 4.320 0.013 0.000 0.288 68 K C -2.160 174.466 176.600 0.043 0.000 1.058 68 K CA -1.427 54.886 56.287 0.042 0.000 0.953 68 K CB 0.611 33.147 32.500 0.059 0.000 0.997 68 K HN -0.061 nan 8.250 nan 0.000 0.477 69 P HA 0.077 nan 4.420 nan 0.000 0.279 69 P C -0.649 176.690 177.300 0.064 0.000 1.252 69 P CA -0.536 62.594 63.100 0.051 0.000 0.811 69 P CB 0.935 32.669 31.700 0.055 0.000 1.035 70 T N -1.774 112.815 114.554 0.058 0.000 2.860 70 T HA 0.166 4.523 4.350 0.013 0.000 0.299 70 T C -1.755 172.996 174.700 0.086 0.000 1.045 70 T CA -1.171 60.965 62.100 0.060 0.000 1.071 70 T CB -0.285 68.610 68.868 0.044 0.000 0.985 70 T HN 0.181 nan 8.240 nan 0.000 0.537 71 P HA -0.047 nan 4.420 nan 0.000 0.218 71 P C 1.206 178.602 177.300 0.160 0.000 1.148 71 P CA 0.803 63.974 63.100 0.119 0.000 0.822 71 P CB 0.003 31.757 31.700 0.090 0.000 0.784 72 N N -1.525 117.251 118.700 0.127 0.000 2.171 72 N HA -0.072 4.675 4.740 0.013 0.000 0.184 72 N C 1.656 177.291 175.510 0.208 0.000 1.021 72 N CA 1.382 54.525 53.050 0.154 0.000 0.854 72 N CB -1.325 37.215 38.487 0.089 0.000 0.994 72 N HN 0.085 nan 8.380 nan 0.000 0.426 73 T N 0.796 115.437 114.554 0.146 0.000 2.684 73 T HA -0.080 4.277 4.350 0.013 0.000 0.267 73 T C 2.087 176.916 174.700 0.215 0.000 1.036 73 T CA 1.074 63.261 62.100 0.145 0.000 1.148 73 T CB -0.384 68.533 68.868 0.082 0.000 0.863 73 T HN -0.024 nan 8.240 nan 0.000 0.436 74 V N 1.155 121.184 119.914 0.191 0.000 2.358 74 V HA -0.195 3.932 4.120 0.013 0.000 0.246 74 V C 2.401 178.612 176.094 0.196 0.000 1.047 74 V CA 1.672 64.079 62.300 0.178 0.000 1.035 74 V CB -0.740 31.171 31.823 0.146 0.000 0.658 74 V HN 0.625 nan 8.190 nan 0.000 0.452 75 H N -1.044 118.127 119.070 0.169 0.000 2.387 75 H HA -0.251 4.313 4.556 0.014 0.000 0.299 75 H C 2.289 177.758 175.328 0.235 0.000 1.099 75 H CA 2.500 58.666 56.048 0.198 0.000 1.315 75 H CB -0.136 29.751 29.762 0.208 0.000 1.380 75 H HN 0.547 nan 8.280 nan 0.000 0.513 76 Y N 0.995 121.460 120.300 0.276 0.000 2.114 76 Y HA -0.195 4.363 4.550 0.013 0.000 0.284 76 Y C 2.756 178.848 175.900 0.321 0.000 1.143 76 Y CA 1.903 60.163 58.100 0.268 0.000 1.135 76 Y CB -0.522 38.014 38.460 0.127 0.000 0.980 76 Y HN 0.086 nan 8.280 nan 0.000 0.499 77 I N -0.219 120.648 120.570 0.495 0.000 2.151 77 I HA -0.365 3.812 4.170 0.013 0.000 0.243 77 I C 2.104 178.545 176.117 0.541 0.000 1.080 77 I CA 1.160 62.796 61.300 0.559 0.000 1.339 77 I CB -0.489 37.738 38.000 0.379 0.000 1.039 77 I HN 0.301 nan 8.210 nan 0.000 0.409 78 L N 0.368 121.697 121.223 0.177 0.000 2.376 78 L HA -0.086 4.262 4.340 0.013 0.000 0.219 78 L C 2.196 178.892 176.870 -0.289 0.000 1.133 78 L CA 1.930 56.644 54.840 -0.210 0.000 0.816 78 L CB -1.373 40.108 42.059 -0.964 0.000 0.933 78 L HN 0.473 nan 8.230 nan 0.000 0.449 79 T N -5.079 109.370 114.554 -0.176 0.000 3.134 79 T HA 0.205 4.562 4.350 0.013 0.000 0.260 79 T C 0.377 174.870 174.700 -0.344 0.000 1.027 79 T CA -0.262 61.604 62.100 -0.390 0.000 0.913 79 T CB 0.056 68.659 68.868 -0.442 0.000 1.046 79 T HN 0.212 nan 8.240 nan 0.000 0.553 80 H N -0.884 118.201 119.070 0.024 0.000 2.960 80 H HA 0.576 5.140 4.556 0.013 0.000 0.303 80 H C -0.657 174.794 175.328 0.206 0.000 1.412 80 H CA -1.755 54.213 56.048 -0.133 0.000 1.227 80 H CB 0.604 29.865 29.762 -0.835 0.000 1.912 80 H HN 0.037 nan 8.280 nan 0.000 0.583 81 F N -0.535 119.570 119.950 0.258 0.000 3.074 81 F HA -0.278 4.256 4.527 0.012 0.000 0.287 81 F C 1.641 177.533 175.800 0.153 0.000 0.932 81 F CA 0.630 58.706 58.000 0.127 0.000 0.995 81 F CB -1.014 37.991 39.000 0.008 0.000 0.966 81 F HN 0.521 nan 8.300 nan 0.000 0.721 82 K N 1.053 121.538 120.400 0.141 0.000 2.152 82 K HA -0.153 4.175 4.320 0.013 0.000 0.206 82 K C 2.263 178.899 176.600 0.061 0.000 1.048 82 K CA 1.602 57.852 56.287 -0.061 0.000 0.933 82 K CB -0.505 31.676 32.500 -0.531 0.000 0.721 82 K HN 0.575 nan 8.250 nan 0.000 0.447 83 G N 0.540 109.367 108.800 0.046 0.000 2.421 83 G HA2 -0.219 3.748 3.960 0.013 0.000 0.216 83 G HA3 -0.219 3.748 3.960 0.013 0.000 0.216 83 G C 1.483 176.405 174.900 0.036 0.000 1.171 83 G CA 0.920 46.043 45.100 0.038 0.000 0.775 83 G HN 0.198 nan 8.290 nan 0.000 0.543 84 V N -0.380 119.538 119.914 0.006 0.000 2.343 84 V HA -0.182 3.945 4.120 0.013 0.000 0.247 84 V C 2.436 178.450 176.094 -0.134 0.000 1.051 84 V CA 1.784 64.006 62.300 -0.130 0.000 1.036 84 V CB -0.661 30.989 31.823 -0.289 0.000 0.654 84 V HN 0.598 nan 8.190 nan 0.000 0.451 85 W N 0.057 121.406 121.300 0.081 0.000 2.388 85 W HA -0.148 4.519 4.660 0.012 0.000 0.294 85 W C 2.497 179.067 176.519 0.086 0.000 1.212 85 W CA 1.254 58.665 57.345 0.111 0.000 1.271 85 W CB -0.507 29.060 29.460 0.178 0.000 1.126 85 W HN 0.246 nan 8.180 nan 0.000 0.535 86 N N 0.671 119.526 118.700 0.258 0.000 2.094 86 N HA -0.211 4.536 4.740 0.013 0.000 0.191 86 N C 1.425 177.002 175.510 0.111 0.000 1.023 86 N CA 1.935 55.073 53.050 0.148 0.000 0.857 86 N CB -0.400 38.135 38.487 0.079 0.000 1.013 86 N HN 0.081 nan 8.380 nan 0.000 0.426 87 I N -1.002 119.613 120.570 0.076 0.000 2.233 87 I HA -0.183 3.995 4.170 0.013 0.000 0.243 87 I C 1.921 178.066 176.117 0.048 0.000 1.093 87 I CA 0.497 61.820 61.300 0.038 0.000 1.380 87 I CB -0.223 37.774 38.000 -0.005 0.000 1.067 87 I HN -0.014 nan 8.210 nan 0.000 0.413 88 V N 1.484 121.438 119.914 0.067 0.000 2.287 88 V HA -0.302 3.825 4.120 0.013 0.000 0.248 88 V C 2.141 178.340 176.094 0.174 0.000 1.053 88 V CA 2.006 64.362 62.300 0.093 0.000 1.027 88 V CB -0.878 31.041 31.823 0.159 0.000 0.646 88 V HN 0.464 nan 8.190 nan 0.000 0.447 89 N N 0.747 119.598 118.700 0.250 0.000 2.272 89 N HA -0.124 4.624 4.740 0.013 0.000 0.185 89 N C 1.377 176.945 175.510 0.097 0.000 1.014 89 N CA 1.105 54.268 53.050 0.188 0.000 0.870 89 N CB -0.480 38.099 38.487 0.154 0.000 0.975 89 N HN 0.496 nan 8.380 nan 0.000 0.433 90 N N 0.339 119.086 118.700 0.078 0.000 2.322 90 N HA 0.130 4.878 4.740 0.013 0.000 0.194 90 N C -0.298 175.237 175.510 0.043 0.000 1.126 90 N CA 0.129 53.210 53.050 0.052 0.000 0.845 90 N CB 0.765 39.279 38.487 0.046 0.000 0.976 90 N HN 0.280 nan 8.380 nan 0.000 0.475 91 I N 1.468 122.054 120.570 0.028 0.000 2.460 91 I HA 0.208 4.385 4.170 0.013 0.000 0.277 91 I C -1.587 174.517 176.117 -0.021 0.000 1.057 91 I CA -1.980 59.317 61.300 -0.006 0.000 1.179 91 I CB 2.099 40.043 38.000 -0.093 0.000 1.329 91 I HN -0.288 nan 8.210 nan 0.000 0.478 92 P HA -0.260 nan 4.420 nan 0.000 0.216 92 P C 1.632 178.993 177.300 0.102 0.000 1.157 92 P CA 1.720 64.872 63.100 0.085 0.000 0.880 92 P CB 0.006 31.776 31.700 0.116 0.000 0.791 93 F N -1.184 118.805 119.950 0.066 0.000 2.186 93 F HA -0.051 4.484 4.527 0.013 0.000 0.299 93 F C 1.955 177.798 175.800 0.072 0.000 1.090 93 F CA 1.100 59.136 58.000 0.060 0.000 1.307 93 F CB -1.378 37.648 39.000 0.044 0.000 1.019 93 F HN -0.208 nan 8.300 nan 0.000 0.489 94 L N 0.226 120.913 121.223 -0.894 0.000 2.072 94 L HA -0.094 4.253 4.340 0.013 0.000 0.205 94 L C 2.968 179.758 176.870 -0.132 0.000 1.079 94 L CA 1.295 55.744 54.840 -0.651 0.000 0.752 94 L CB -0.508 41.160 42.059 -0.653 0.000 0.906 94 L HN 0.201 nan 8.230 nan 0.000 0.436 95 R N -0.459 120.050 120.500 0.015 0.000 2.083 95 R HA -0.188 4.159 4.340 0.013 0.000 0.237 95 R C 2.348 178.810 176.300 0.271 0.000 1.137 95 R CA 2.066 58.336 56.100 0.283 0.000 0.951 95 R CB -0.164 30.260 30.300 0.207 0.000 0.851 95 R HN 0.244 nan 8.270 nan 0.000 0.434 96 S N 1.090 116.880 115.700 0.150 0.000 2.359 96 S HA -0.170 4.307 4.470 0.013 0.000 0.224 96 S C 1.877 176.559 174.600 0.136 0.000 1.035 96 S CA 1.324 59.604 58.200 0.134 0.000 1.018 96 S CB -0.288 62.983 63.200 0.118 0.000 0.876 96 S HN 0.334 nan 8.310 nan 0.000 0.448 97 L N 1.054 122.350 121.223 0.122 0.000 2.083 97 L HA -0.113 4.235 4.340 0.013 0.000 0.209 97 L C 1.958 178.888 176.870 0.101 0.000 1.083 97 L CA 1.049 55.958 54.840 0.115 0.000 0.752 97 L CB -0.244 41.885 42.059 0.115 0.000 0.899 97 L HN 0.297 nan 8.230 nan 0.000 0.433 98 I N -1.137 119.471 120.570 0.064 0.000 2.286 98 I HA -0.280 3.898 4.170 0.013 0.000 0.245 98 I C 2.430 178.631 176.117 0.140 0.000 1.104 98 I CA 1.377 62.676 61.300 -0.002 0.000 1.397 98 I CB -0.750 37.021 38.000 -0.380 0.000 1.072 98 I HN 0.386 nan 8.210 nan 0.000 0.417 99 M N 1.049 120.809 119.600 0.266 0.000 2.229 99 M HA -0.179 4.309 4.480 0.013 0.000 0.264 99 M C 2.186 178.580 176.300 0.156 0.000 1.063 99 M CA 1.671 57.143 55.300 0.286 0.000 1.114 99 M CB -0.458 32.314 32.600 0.287 0.000 1.387 99 M HN 0.037 nan 8.290 nan 0.000 0.420 100 K N -1.177 119.301 120.400 0.130 0.000 2.009 100 K HA -0.268 4.059 4.320 0.013 0.000 0.210 100 K C 2.137 178.808 176.600 0.118 0.000 1.049 100 K CA 2.063 58.404 56.287 0.089 0.000 0.929 100 K CB -0.639 31.918 32.500 0.096 0.000 0.714 100 K HN 0.453 nan 8.250 nan 0.000 0.440 101 Y N 1.521 121.848 120.300 0.045 0.000 2.181 101 Y HA -0.223 4.334 4.550 0.012 0.000 0.288 101 Y C 1.897 177.840 175.900 0.071 0.000 1.146 101 Y CA 1.764 59.894 58.100 0.050 0.000 1.164 101 Y CB -0.375 38.102 38.460 0.029 0.000 0.982 101 Y HN 0.042 nan 8.280 nan 0.000 0.515 102 V N -1.877 118.033 119.914 -0.007 0.000 2.343 102 V HA -0.230 3.898 4.120 0.013 0.000 0.247 102 V C 2.140 178.196 176.094 -0.063 0.000 1.051 102 V CA 1.697 63.953 62.300 -0.074 0.000 1.036 102 V CB -1.205 30.683 31.823 0.108 0.000 0.654 102 V HN 0.345 nan 8.190 nan 0.000 0.451 103 L N 1.972 123.188 121.223 -0.012 0.000 1.994 103 L HA -0.100 4.247 4.340 0.013 0.000 0.208 103 L C 3.063 179.927 176.870 -0.010 0.000 1.071 103 L CA 2.858 57.685 54.840 -0.022 0.000 0.745 103 L CB -1.635 40.378 42.059 -0.078 0.000 0.892 103 L HN 0.733 nan 8.230 nan 0.000 0.431 104 T N -3.836 110.712 114.554 -0.011 0.000 2.812 104 T HA -0.143 4.214 4.350 0.013 0.000 0.264 104 T C 2.066 176.833 174.700 0.113 0.000 1.042 104 T CA 1.294 63.436 62.100 0.070 0.000 1.140 104 T CB -0.747 68.164 68.868 0.070 0.000 0.870 104 T HN 0.377 nan 8.240 nan 0.000 0.445 105 S N 1.279 116.956 115.700 -0.038 0.000 2.383 105 S HA -0.018 4.459 4.470 0.013 0.000 0.227 105 S C 2.283 176.873 174.600 -0.018 0.000 1.026 105 S CA 0.561 58.794 58.200 0.055 0.000 0.981 105 S CB -0.412 62.523 63.200 -0.441 0.000 0.818 105 S HN 0.344 nan 8.310 nan 0.000 0.472 106 R N 1.489 121.935 120.500 -0.090 0.000 2.073 106 R HA 0.257 4.605 4.340 0.013 0.000 0.229 106 R C 2.622 178.851 176.300 -0.118 0.000 1.120 106 R CA 1.502 57.528 56.100 -0.124 0.000 0.967 106 R CB -0.977 29.292 30.300 -0.051 0.000 0.862 106 R HN 0.492 nan 8.270 nan 0.000 0.436 107 S N 0.014 115.725 115.700 0.018 0.000 2.423 107 S HA -0.160 4.318 4.470 0.013 0.000 0.231 107 S C 1.513 176.132 174.600 0.032 0.000 1.014 107 S CA 1.150 59.396 58.200 0.076 0.000 0.965 107 S CB -0.399 62.986 63.200 0.308 0.000 0.785 107 S HN 0.581 nan 8.310 nan 0.000 0.495 108 Y N 0.827 121.120 120.300 -0.011 0.000 2.574 108 Y HA 0.122 4.680 4.550 0.012 0.000 0.294 108 Y C 1.521 177.375 175.900 -0.078 0.000 1.142 108 Y CA 0.361 58.437 58.100 -0.040 0.000 1.314 108 Y CB -0.414 38.029 38.460 -0.028 0.000 0.991 108 Y HN 0.076 nan 8.280 nan 0.000 0.555 109 L N 0.873 121.796 121.223 -0.500 0.000 2.376 109 L HA 0.012 4.360 4.340 0.013 0.000 0.219 109 L C 0.452 177.128 176.870 -0.322 0.000 1.133 109 L CA 0.616 55.169 54.840 -0.478 0.000 0.816 109 L CB -0.718 41.084 42.059 -0.428 0.000 0.933 109 L HN 0.276 nan 8.230 nan 0.000 0.449 110 I N 0.375 120.830 120.570 -0.191 0.000 2.353 110 I HA 0.163 4.341 4.170 0.013 0.000 0.293 110 I C 0.009 176.077 176.117 -0.081 0.000 0.992 110 I CA -1.170 60.060 61.300 -0.117 0.000 1.268 110 I CB 0.917 38.878 38.000 -0.066 0.000 1.387 110 I HN -0.111 nan 8.210 nan 0.000 0.478 111 D N 4.208 124.571 120.400 -0.060 0.000 2.434 111 D HA 0.146 4.793 4.640 0.013 0.000 0.252 111 D C 0.106 176.365 176.300 -0.067 0.000 1.185 111 D CA 0.638 54.600 54.000 -0.064 0.000 0.886 111 D CB 0.688 41.446 40.800 -0.071 0.000 1.148 111 D HN 0.412 nan 8.370 nan 0.000 0.483 112 S N 2.525 118.174 115.700 -0.085 0.000 2.653 112 S HA 0.367 4.844 4.470 0.013 0.000 0.268 112 S C -2.716 171.826 174.600 -0.096 0.000 1.153 112 S CA -1.257 56.885 58.200 -0.097 0.000 1.036 112 S CB 0.814 63.925 63.200 -0.147 0.000 1.103 112 S HN 0.030 nan 8.310 nan 0.000 0.466 113 P HA 0.196 nan 4.420 nan 0.000 0.266 113 P C -2.432 174.845 177.300 -0.037 0.000 1.193 113 P CA -0.626 62.465 63.100 -0.016 0.000 0.770 113 P CB -0.048 31.646 31.700 -0.010 0.000 0.836 114 P HA 0.047 nan 4.420 nan 0.000 0.274 114 P C 0.043 177.274 177.300 -0.115 0.000 1.256 114 P CA -0.019 63.038 63.100 -0.072 0.000 0.795 114 P CB 0.784 32.428 31.700 -0.095 0.000 1.038 115 T N -2.458 111.966 114.554 -0.216 0.000 3.364 115 T HA 0.209 4.567 4.350 0.013 0.000 0.179 115 T C 0.591 175.053 174.700 -0.398 0.000 0.939 115 T CA 0.033 61.871 62.100 -0.436 0.000 1.094 115 T CB -0.805 67.574 68.868 -0.816 0.000 1.532 115 T HN 0.267 nan 8.240 nan 0.000 0.346 116 Y N 3.594 123.860 120.300 -0.057 0.000 2.295 116 Y HA 0.601 5.159 4.550 0.013 0.000 0.331 116 Y C 0.890 176.728 175.900 -0.103 0.000 1.311 116 Y CA -0.503 57.551 58.100 -0.076 0.000 1.430 116 Y CB 0.557 38.988 38.460 -0.048 0.000 1.339 116 Y HN 0.758 nan 8.280 nan 0.000 0.552 117 N N -2.469 116.256 118.700 0.041 0.000 3.344 117 N HA 0.107 4.855 4.740 0.013 0.000 0.296 117 N C -0.376 175.087 175.510 -0.078 0.000 1.571 117 N CA -0.671 52.329 53.050 -0.083 0.000 0.844 117 N CB 0.509 38.780 38.487 -0.361 0.000 1.718 117 N HN 0.415 nan 8.380 nan 0.000 0.589 118 V N -0.244 119.596 119.914 -0.123 0.000 2.626 118 V HA -0.119 4.009 4.120 0.013 0.000 0.252 118 V C 1.146 177.192 176.094 -0.079 0.000 1.067 118 V CA 1.875 64.117 62.300 -0.097 0.000 1.081 118 V CB -0.928 30.802 31.823 -0.154 0.000 0.686 118 V HN 0.690 nan 8.190 nan 0.000 0.468 119 H N -2.845 116.170 119.070 -0.092 0.000 2.592 119 H HA 0.227 4.791 4.556 0.013 0.000 0.265 119 H C -0.446 174.492 175.328 -0.650 0.000 0.955 119 H CA -0.014 55.868 56.048 -0.277 0.000 1.175 119 H CB 0.411 30.034 29.762 -0.232 0.000 1.433 119 H HN 0.467 nan 8.280 nan 0.000 0.537 120 Y N -0.030 120.182 120.300 -0.146 0.000 2.376 120 Y HA 0.306 4.864 4.550 0.013 0.000 0.326 120 Y C 0.898 176.667 175.900 -0.219 0.000 0.970 120 Y CA -0.836 57.053 58.100 -0.351 0.000 1.248 120 Y CB 1.809 39.997 38.460 -0.452 0.000 1.117 120 Y HN 0.075 nan 8.280 nan 0.000 0.476 121 G N 2.591 111.316 108.800 -0.125 0.000 3.233 121 G HA2 0.139 4.107 3.960 0.013 0.000 0.227 121 G HA3 0.139 4.107 3.960 0.013 0.000 0.227 121 G C -0.460 174.500 174.900 0.101 0.000 1.175 121 G CA 0.202 45.254 45.100 -0.080 0.000 0.781 121 G HN 0.580 nan 8.290 nan 0.000 0.542 122 Y N -2.592 117.903 120.300 0.325 0.000 2.588 122 Y HA 0.689 5.246 4.550 0.012 0.000 0.343 122 Y C -0.247 175.845 175.900 0.320 0.000 1.065 122 Y CA -2.247 56.065 58.100 0.353 0.000 1.038 122 Y CB 0.998 39.580 38.460 0.203 0.000 1.297 122 Y HN -0.231 nan 8.280 nan 0.000 0.467 123 K N 2.003 122.605 120.400 0.336 0.000 2.350 123 K HA 0.526 4.854 4.320 0.013 0.000 0.279 123 K C -0.486 176.207 176.600 0.155 0.000 1.027 123 K CA 0.063 56.392 56.287 0.070 0.000 0.969 123 K CB 0.739 33.228 32.500 -0.019 0.000 0.954 123 K HN 0.894 nan 8.250 nan 0.000 0.474 124 S N 1.044 116.726 115.700 -0.031 0.000 2.570 124 S HA 0.188 4.665 4.470 0.013 0.000 0.270 124 S C 0.062 174.642 174.600 -0.033 0.000 1.149 124 S CA -1.118 57.072 58.200 -0.016 0.000 0.837 124 S CB 0.685 63.739 63.200 -0.244 0.000 1.124 124 S HN 0.903 nan 8.310 nan 0.000 0.465 125 W N 1.306 122.563 121.300 -0.072 0.000 2.402 125 W HA -0.081 4.587 4.660 0.013 0.000 0.286 125 W C 1.532 178.038 176.519 -0.022 0.000 1.221 125 W CA 2.155 59.505 57.345 0.008 0.000 1.257 125 W CB -0.084 29.392 29.460 0.027 0.000 1.120 125 W HN 1.047 nan 8.180 nan 0.000 0.551 126 E N 0.986 121.140 120.200 -0.078 0.000 2.051 126 E HA -0.178 4.180 4.350 0.013 0.000 0.192 126 E C 2.210 178.603 176.600 -0.345 0.000 0.991 126 E CA 2.505 58.791 56.400 -0.189 0.000 0.799 126 E CB -0.757 28.788 29.700 -0.259 0.000 0.748 126 E HN 0.070 nan 8.360 nan 0.000 0.449 127 A N -0.382 122.094 122.820 -0.573 0.000 1.969 127 A HA -0.077 4.251 4.320 0.013 0.000 0.218 127 A C 2.138 179.519 177.584 -0.337 0.000 1.169 127 A CA 1.275 53.026 52.037 -0.477 0.000 0.635 127 A CB -0.837 17.897 19.000 -0.442 0.000 0.810 127 A HN 0.469 nan 8.150 nan 0.000 0.445 128 F N 1.908 121.564 119.950 -0.490 0.000 2.098 128 F HA -0.132 4.403 4.527 0.012 0.000 0.294 128 F C 2.600 178.069 175.800 -0.552 0.000 1.107 128 F CA 2.063 59.731 58.000 -0.554 0.000 1.234 128 F CB -0.427 38.115 39.000 -0.763 0.000 1.002 128 F HN 0.262 nan 8.300 nan 0.000 0.472 129 S N -0.657 114.526 115.700 -0.861 0.000 2.470 129 S HA -0.031 4.447 4.470 0.013 0.000 0.225 129 S C 0.928 175.296 174.600 -0.388 0.000 1.006 129 S CA 0.153 57.889 58.200 -0.773 0.000 0.934 129 S CB -0.753 62.170 63.200 -0.463 0.000 0.778 129 S HN 0.390 nan 8.310 nan 0.000 0.517 130 N N 1.960 120.530 118.700 -0.215 0.000 2.439 130 N HA 0.238 4.985 4.740 0.013 0.000 0.243 130 N C 0.479 176.003 175.510 0.023 0.000 1.088 130 N CA -0.207 52.852 53.050 0.014 0.000 0.940 130 N CB 0.394 39.038 38.487 0.261 0.000 1.180 130 N HN 0.357 nan 8.380 nan 0.000 0.505 131 L N 1.581 122.785 121.223 -0.032 0.000 2.551 131 L HA -0.025 4.323 4.340 0.013 0.000 0.228 131 L C 1.575 178.533 176.870 0.145 0.000 1.153 131 L CA 0.397 55.242 54.840 0.008 0.000 0.851 131 L CB -0.093 41.962 42.059 -0.006 0.000 0.959 131 L HN 0.403 nan 8.230 nan 0.000 0.451 132 S N -1.524 114.227 115.700 0.085 0.000 2.561 132 S HA 0.015 4.493 4.470 0.013 0.000 0.225 132 S C 0.292 174.893 174.600 0.002 0.000 0.977 132 S CA 0.241 58.462 58.200 0.036 0.000 0.926 132 S CB -0.184 63.031 63.200 0.024 0.000 0.769 132 S HN 0.231 nan 8.310 nan 0.000 0.533 133 Y N 0.405 120.691 120.300 -0.023 0.000 2.320 133 Y HA 0.359 4.916 4.550 0.012 0.000 0.324 133 Y C 0.106 175.934 175.900 -0.119 0.000 1.190 133 Y CA -1.180 56.777 58.100 -0.239 0.000 1.215 133 Y CB 0.381 38.701 38.460 -0.233 0.000 1.221 133 Y HN 0.048 nan 8.280 nan 0.000 0.486 134 Y N 0.934 121.285 120.300 0.085 0.000 2.411 134 Y HA 0.073 4.631 4.550 0.013 0.000 0.333 134 Y C 1.048 176.992 175.900 0.074 0.000 1.186 134 Y CA 0.022 58.195 58.100 0.122 0.000 1.381 134 Y CB 0.505 38.991 38.460 0.043 0.000 1.273 134 Y HN 0.548 nan 8.280 nan 0.000 0.546 135 T N 3.451 118.140 114.554 0.224 0.000 2.754 135 T HA 0.386 4.743 4.350 0.013 0.000 0.286 135 T C -0.252 174.521 174.700 0.122 0.000 0.997 135 T CA -0.664 61.495 62.100 0.098 0.000 0.982 135 T CB 0.322 69.212 68.868 0.037 0.000 1.027 135 T HN 0.455 nan 8.240 nan 0.000 0.529 136 R N 1.004 121.579 120.500 0.124 0.000 2.532 136 R HA 0.539 4.887 4.340 0.013 0.000 0.297 136 R C 0.729 177.169 176.300 0.235 0.000 0.984 136 R CA -0.426 55.765 56.100 0.151 0.000 0.884 136 R CB 1.426 31.800 30.300 0.123 0.000 1.182 136 R HN 0.731 nan 8.270 nan 0.000 0.442 137 A N 3.818 126.823 122.820 0.307 0.000 1.969 137 A HA 0.065 4.392 4.320 0.013 0.000 0.218 137 A C 0.703 178.418 177.584 0.217 0.000 1.169 137 A CA 1.073 53.328 52.037 0.363 0.000 0.635 137 A CB 0.128 19.534 19.000 0.676 0.000 0.810 137 A HN 0.487 nan 8.150 nan 0.000 0.445 138 L N 0.191 121.500 121.223 0.143 0.000 2.381 138 L HA 0.386 4.734 4.340 0.013 0.000 0.268 138 L C -2.487 174.290 176.870 -0.155 0.000 0.997 138 L CA -2.590 52.179 54.840 -0.118 0.000 0.818 138 L CB 2.496 44.278 42.059 -0.463 0.000 1.310 138 L HN -0.006 nan 8.230 nan 0.000 0.416 139 P HA 0.146 nan 4.420 nan 0.000 0.272 139 P C -2.696 174.479 177.300 -0.208 0.000 1.240 139 P CA -1.316 61.517 63.100 -0.446 0.000 0.791 139 P CB -0.364 30.819 31.700 -0.860 0.000 0.978 140 P HA 0.002 nan 4.420 nan 0.000 0.271 140 P C -0.162 177.113 177.300 -0.041 0.000 1.218 140 P CA 0.078 63.163 63.100 -0.024 0.000 0.780 140 P CB 0.275 31.984 31.700 0.015 0.000 0.901 141 V N 2.352 122.266 119.914 0.001 0.000 2.540 141 V HA 0.087 4.214 4.120 0.013 0.000 0.297 141 V C 1.281 177.383 176.094 0.015 0.000 1.024 141 V CA 0.153 62.454 62.300 0.002 0.000 1.105 141 V CB -0.390 31.451 31.823 0.031 0.000 0.938 141 V HN 0.736 nan 8.190 nan 0.000 0.482 142 A N 4.049 126.873 122.820 0.007 0.000 2.425 142 A HA 0.185 4.513 4.320 0.013 0.000 0.242 142 A C 1.175 178.779 177.584 0.032 0.000 1.077 142 A CA -0.336 51.715 52.037 0.023 0.000 0.781 142 A CB 0.037 19.053 19.000 0.027 0.000 1.020 142 A HN 0.886 nan 8.150 nan 0.000 0.494 143 D N 0.612 121.035 120.400 0.038 0.000 2.182 143 D HA -0.147 4.500 4.640 0.013 0.000 0.201 143 D C 0.988 177.310 176.300 0.037 0.000 0.986 143 D CA 1.902 55.925 54.000 0.039 0.000 0.847 143 D CB -0.097 40.726 40.800 0.038 0.000 0.942 143 D HN 0.766 nan 8.370 nan 0.000 0.467 144 D N -0.272 120.150 120.400 0.038 0.000 2.328 144 D HA -0.041 4.607 4.640 0.013 0.000 0.221 144 D C 0.215 176.536 176.300 0.034 0.000 1.072 144 D CA -0.302 53.720 54.000 0.038 0.000 0.850 144 D CB -0.899 39.928 40.800 0.046 0.000 0.922 144 D HN 0.039 nan 8.370 nan 0.000 0.516 145 c N 2.442 121.059 118.600 0.029 0.000 2.679 145 c HA 0.113 4.691 4.570 0.013 0.000 0.417 145 c C -0.245 173.860 174.090 0.025 0.000 1.302 145 c CA -0.926 55.417 56.329 0.023 0.000 1.973 145 c CB 0.988 43.508 42.510 0.017 0.000 2.715 145 c HN 0.306 nan 8.230 nan 0.000 0.628 146 P HA -0.016 nan 4.420 nan 0.000 0.222 146 P C 0.418 177.733 177.300 0.026 0.000 1.153 146 P CA 1.370 64.485 63.100 0.024 0.000 0.798 146 P CB -0.046 31.667 31.700 0.022 0.000 0.796 147 T N -5.575 108.996 114.554 0.028 0.000 2.916 147 T HA 0.467 4.824 4.350 0.013 0.000 0.292 147 T C -2.384 172.341 174.700 0.042 0.000 1.055 147 T CA -2.216 59.905 62.100 0.035 0.000 1.009 147 T CB 2.046 70.937 68.868 0.039 0.000 1.118 147 T HN -0.338 nan 8.240 nan 0.000 0.497 148 P HA -0.039 nan 4.420 nan 0.000 0.217 148 P C 1.353 178.697 177.300 0.074 0.000 1.148 148 P CA 1.134 64.273 63.100 0.064 0.000 0.828 148 P CB 0.005 31.749 31.700 0.073 0.000 0.783 149 M N -2.826 116.818 119.600 0.074 0.000 2.502 149 M HA 0.275 4.762 4.480 0.013 0.000 0.243 149 M C 1.381 177.701 176.300 0.034 0.000 1.130 149 M CA 0.768 56.111 55.300 0.071 0.000 1.055 149 M CB -0.509 32.143 32.600 0.086 0.000 1.457 149 M HN 0.103 nan 8.290 nan 0.000 0.488 150 G N 0.168 108.983 108.800 0.026 0.000 1.828 150 G HA2 -0.185 3.782 3.960 0.013 0.000 0.128 150 G HA3 -0.185 3.782 3.960 0.013 0.000 0.128 150 G C 0.349 175.252 174.900 0.006 0.000 2.299 150 G CA 0.288 45.389 45.100 0.002 0.000 1.389 150 G HN 0.296 nan 8.290 nan 0.000 0.437 151 V N -1.377 118.538 119.914 0.003 0.000 3.473 151 V HA 0.515 4.643 4.120 0.013 0.000 0.253 151 V C 0.831 176.937 176.094 0.020 0.000 1.340 151 V CA 1.123 63.428 62.300 0.009 0.000 1.103 151 V CB 0.036 31.858 31.823 -0.001 0.000 0.881 151 V HN 0.390 nan 8.190 nan 0.000 0.451 152 K N 1.728 122.142 120.400 0.023 0.000 2.219 152 K HA 0.547 4.875 4.320 0.013 0.000 0.258 152 K C 0.753 177.386 176.600 0.055 0.000 1.008 152 K CA 0.858 57.167 56.287 0.037 0.000 0.928 152 K CB 0.638 33.160 32.500 0.036 0.000 0.983 152 K HN 0.775 nan 8.250 nan 0.000 0.484 153 G N 1.399 110.238 108.800 0.064 0.000 2.615 153 G HA2 -0.221 3.747 3.960 0.013 0.000 0.218 153 G HA3 -0.221 3.747 3.960 0.013 0.000 0.218 153 G C -0.766 174.167 174.900 0.056 0.000 1.339 153 G CA -0.763 44.384 45.100 0.079 0.000 0.884 153 G HN 0.615 nan 8.290 nan 0.000 0.559 154 N N 0.196 118.926 118.700 0.050 0.000 2.478 154 N HA 0.380 5.128 4.740 0.013 0.000 0.275 154 N C 1.344 176.871 175.510 0.027 0.000 1.221 154 N CA -0.549 52.519 53.050 0.030 0.000 0.979 154 N CB 0.914 39.410 38.487 0.015 0.000 1.202 154 N HN 0.480 nan 8.380 nan 0.000 0.564 155 K N 0.748 121.159 120.400 0.019 0.000 2.209 155 K HA -0.003 4.324 4.320 0.013 0.000 0.204 155 K C -0.052 176.558 176.600 0.016 0.000 1.048 155 K CA 1.175 57.473 56.287 0.018 0.000 0.940 155 K CB 0.060 32.568 32.500 0.014 0.000 0.729 155 K HN 0.575 nan 8.250 nan 0.000 0.451 156 E N 0.336 120.540 120.200 0.007 0.000 2.238 156 E HA 0.229 4.587 4.350 0.013 0.000 0.267 156 E C -1.023 175.568 176.600 -0.014 0.000 0.887 156 E CA -0.793 55.607 56.400 -0.001 0.000 0.769 156 E CB 1.572 31.265 29.700 -0.011 0.000 1.187 156 E HN -0.197 nan 8.360 nan 0.000 0.416 157 L N 3.722 124.938 121.223 -0.011 0.000 2.464 157 L HA 0.243 4.590 4.340 0.013 0.000 0.264 157 L C -1.911 174.882 176.870 -0.128 0.000 1.199 157 L CA -1.647 53.165 54.840 -0.047 0.000 0.818 157 L CB -0.540 41.528 42.059 0.016 0.000 1.102 157 L HN 0.446 nan 8.230 nan 0.000 0.473 158 P HA -0.006 nan 4.420 nan 0.000 0.269 158 P C -0.689 176.505 177.300 -0.176 0.000 1.209 158 P CA -0.505 62.426 63.100 -0.282 0.000 0.776 158 P CB 0.318 31.705 31.700 -0.522 0.000 0.876 159 D N 1.593 121.923 120.400 -0.116 0.000 2.662 159 D HA -0.088 4.560 4.640 0.013 0.000 0.237 159 D C 1.276 177.545 176.300 -0.052 0.000 1.154 159 D CA 0.562 54.521 54.000 -0.067 0.000 0.861 159 D CB 0.535 41.303 40.800 -0.053 0.000 1.146 159 D HN 0.285 nan 8.370 nan 0.000 0.518 160 S N 4.038 119.724 115.700 -0.024 0.000 2.383 160 S HA -0.278 4.199 4.470 0.013 0.000 0.229 160 S C 1.794 176.404 174.600 0.015 0.000 1.030 160 S CA 1.324 59.529 58.200 0.009 0.000 1.002 160 S CB -0.222 62.988 63.200 0.017 0.000 0.829 160 S HN 0.667 nan 8.310 nan 0.000 0.467 161 K N 1.254 121.655 120.400 0.002 0.000 2.103 161 K HA -0.165 4.162 4.320 0.013 0.000 0.207 161 K C 2.163 178.763 176.600 0.000 0.000 1.048 161 K CA 1.667 57.956 56.287 0.003 0.000 0.930 161 K CB -0.223 32.275 32.500 -0.004 0.000 0.716 161 K HN 0.344 nan 8.250 nan 0.000 0.444 162 E N 0.169 120.361 120.200 -0.014 0.000 2.072 162 E HA -0.112 4.245 4.350 0.013 0.000 0.191 162 E C 1.853 178.448 176.600 -0.008 0.000 0.985 162 E CA 1.160 57.548 56.400 -0.021 0.000 0.801 162 E CB -0.011 29.662 29.700 -0.045 0.000 0.750 162 E HN 0.135 nan 8.360 nan 0.000 0.452 163 V N 1.098 121.014 119.914 0.003 0.000 2.255 163 V HA -0.269 3.859 4.120 0.013 0.000 0.247 163 V C 2.404 178.527 176.094 0.048 0.000 1.051 163 V CA 1.753 64.082 62.300 0.049 0.000 1.018 163 V CB -0.588 31.300 31.823 0.108 0.000 0.641 163 V HN 0.382 nan 8.190 nan 0.000 0.445 164 L N -0.109 121.144 121.223 0.050 0.000 1.990 164 L HA -0.261 4.087 4.340 0.013 0.000 0.213 164 L C 2.662 179.549 176.870 0.029 0.000 1.072 164 L CA 2.350 57.220 54.840 0.051 0.000 0.755 164 L CB -0.475 41.615 42.059 0.053 0.000 0.889 164 L HN 0.479 nan 8.230 nan 0.000 0.432 165 E N -0.435 119.775 120.200 0.017 0.000 2.047 165 E HA -0.231 4.126 4.350 0.013 0.000 0.191 165 E C 2.168 178.769 176.600 0.003 0.000 0.987 165 E CA 1.177 57.582 56.400 0.008 0.000 0.799 165 E CB 0.025 29.726 29.700 0.002 0.000 0.752 165 E HN 0.485 nan 8.360 nan 0.000 0.449 166 K N 0.320 120.720 120.400 0.000 0.000 2.148 166 K HA -0.086 4.241 4.320 0.013 0.000 0.204 166 K C 1.976 178.572 176.600 -0.007 0.000 1.050 166 K CA 1.529 57.812 56.287 -0.007 0.000 0.942 166 K CB 0.328 32.820 32.500 -0.013 0.000 0.724 166 K HN 0.157 nan 8.250 nan 0.000 0.446 167 V N -3.283 116.631 119.914 -0.000 0.000 3.382 167 V HA 0.182 4.310 4.120 0.013 0.000 0.296 167 V C 1.049 177.135 176.094 -0.013 0.000 1.529 167 V CA -0.116 62.179 62.300 -0.009 0.000 1.048 167 V CB -0.062 31.755 31.823 -0.009 0.000 0.878 167 V HN 0.052 nan 8.190 nan 0.000 0.442 168 L N 0.000 121.222 121.223 -0.001 0.000 2.445 168 L HA 0.436 4.783 4.340 0.013 0.000 0.207 168 L C 0.902 177.782 176.870 0.017 0.000 1.053 168 L CA 0.176 55.016 54.840 0.001 0.000 0.841 168 L CB 0.192 42.260 42.059 0.015 0.000 1.074 168 L HN 0.169 nan 8.230 nan 0.000 0.479 169 L N 1.637 122.872 121.223 0.019 0.000 2.453 169 L HA 0.108 4.456 4.340 0.013 0.000 0.272 169 L C 0.719 177.598 176.870 0.016 0.000 1.182 169 L CA 0.023 54.876 54.840 0.021 0.000 0.858 169 L CB 0.408 42.477 42.059 0.016 0.000 1.120 169 L HN 0.208 nan 8.230 nan 0.000 0.474 170 R N 3.074 123.590 120.500 0.025 0.000 2.401 170 R HA 0.079 4.427 4.340 0.013 0.000 0.299 170 R C 0.782 177.097 176.300 0.026 0.000 1.064 170 R CA -0.389 55.729 56.100 0.029 0.000 1.000 170 R CB 0.658 30.994 30.300 0.060 0.000 0.973 170 R HN 0.615 nan 8.270 nan 0.000 0.438 171 R N 3.074 123.585 120.500 0.018 0.000 2.041 171 R HA 0.038 4.386 4.340 0.013 0.000 0.221 171 R C 0.267 176.589 176.300 0.035 0.000 1.196 171 R CA 0.818 56.930 56.100 0.019 0.000 0.969 171 R CB -0.393 29.913 30.300 0.009 0.000 0.858 171 R HN 0.630 nan 8.270 nan 0.000 0.444 172 E N 0.572 120.793 120.200 0.036 0.000 2.187 172 E HA 0.176 4.533 4.350 0.013 0.000 0.268 172 E C -1.346 175.307 176.600 0.088 0.000 0.896 172 E CA -0.775 55.663 56.400 0.063 0.000 0.766 172 E CB 1.206 30.929 29.700 0.038 0.000 1.142 172 E HN 0.021 nan 8.360 nan 0.000 0.408 173 F N 5.242 125.182 119.950 -0.017 0.000 2.580 173 F HA 0.052 4.588 4.527 0.014 0.000 0.398 173 F C -0.521 175.263 175.800 -0.026 0.000 1.023 173 F CA 0.444 58.431 58.000 -0.022 0.000 1.188 173 F CB 0.242 39.225 39.000 -0.029 0.000 1.005 173 F HN 0.401 nan 8.300 nan 0.000 0.546 174 I N 9.513 129.733 120.570 -0.584 0.000 2.307 174 I HA 0.245 4.423 4.170 0.013 0.000 0.289 174 I C -1.985 173.613 176.117 -0.864 0.000 1.021 174 I CA -2.201 58.788 61.300 -0.518 0.000 1.224 174 I CB 1.008 38.833 38.000 -0.292 0.000 1.376 174 I HN 0.435 nan 8.210 nan 0.000 0.470 175 P HA 0.022 nan 4.420 nan 0.000 0.271 175 P C -0.758 176.353 177.300 -0.315 0.000 1.218 175 P CA -0.256 62.537 63.100 -0.511 0.000 0.780 175 P CB 0.788 32.411 31.700 -0.129 0.000 0.901 176 D N 3.880 124.136 120.400 -0.240 0.000 2.401 176 D HA 0.018 4.665 4.640 0.013 0.000 0.254 176 D C -1.121 175.078 176.300 -0.169 0.000 1.192 176 D CA -1.840 52.029 54.000 -0.218 0.000 0.885 176 D CB 0.393 41.066 40.800 -0.212 0.000 1.147 176 D HN 0.195 nan 8.370 nan 0.000 0.478 177 P HA -0.140 nan 4.420 nan 0.000 0.221 177 P C 0.825 178.045 177.300 -0.134 0.000 1.150 177 P CA 0.914 63.934 63.100 -0.133 0.000 0.800 177 P CB 0.277 31.899 31.700 -0.130 0.000 0.787 178 Q N -0.673 119.012 119.800 -0.192 0.000 2.488 178 Q HA 0.106 4.454 4.340 0.013 0.000 0.211 178 Q C 1.110 177.065 176.000 -0.076 0.000 0.967 178 Q CA 0.670 56.355 55.803 -0.197 0.000 0.926 178 Q CB -0.489 28.021 28.738 -0.380 0.000 0.992 178 Q HN 0.298 nan 8.270 nan 0.000 0.506 179 G N 1.055 109.814 108.800 -0.069 0.000 2.160 179 G HA2 -0.256 3.712 3.960 0.013 0.000 0.244 179 G HA3 -0.256 3.712 3.960 0.013 0.000 0.244 179 G C -0.049 174.847 174.900 -0.007 0.000 1.022 179 G CA 0.206 45.297 45.100 -0.015 0.000 0.741 179 G HN 0.282 nan 8.290 nan 0.000 0.508 180 S N 0.684 116.356 115.700 -0.046 0.000 2.568 180 S HA 0.427 4.905 4.470 0.013 0.000 0.282 180 S C 0.756 175.363 174.600 0.012 0.000 1.338 180 S CA 0.541 58.674 58.200 -0.111 0.000 1.045 180 S CB 0.839 63.880 63.200 -0.265 0.000 0.873 180 S HN 1.011 nan 8.310 nan 0.000 0.516 181 N N 0.977 119.732 118.700 0.092 0.000 2.815 181 N HA 0.387 5.135 4.740 0.013 0.000 0.315 181 N C 0.429 176.054 175.510 0.191 0.000 1.320 181 N CA -0.935 52.202 53.050 0.144 0.000 0.846 181 N CB -0.062 38.515 38.487 0.150 0.000 1.344 181 N HN 0.251 nan 8.380 nan 0.000 0.593 182 M N -0.330 119.344 119.600 0.124 0.000 2.319 182 M HA 0.108 4.595 4.480 0.013 0.000 0.265 182 M C 1.480 177.887 176.300 0.179 0.000 1.068 182 M CA 0.997 56.279 55.300 -0.030 0.000 1.118 182 M CB -1.075 31.361 32.600 -0.275 0.000 1.395 182 M HN 0.522 nan 8.290 nan 0.000 0.435 183 M N -0.892 118.949 119.600 0.402 0.000 2.108 183 M HA -0.196 4.292 4.480 0.013 0.000 0.261 183 M C 2.288 179.015 176.300 0.713 0.000 1.066 183 M CA 1.604 57.276 55.300 0.620 0.000 1.107 183 M CB -1.411 31.504 32.600 0.525 0.000 1.356 183 M HN 0.223 nan 8.290 nan 0.000 0.406 184 F N 1.157 121.359 119.950 0.420 0.000 2.075 184 F HA -0.136 4.398 4.527 0.012 0.000 0.297 184 F C 2.378 178.301 175.800 0.205 0.000 1.113 184 F CA 1.876 59.974 58.000 0.163 0.000 1.218 184 F CB -0.518 38.465 39.000 -0.028 0.000 0.984 184 F HN 0.121 nan 8.300 nan 0.000 0.472 185 A N -0.130 122.763 122.820 0.122 0.000 1.908 185 A HA -0.185 4.142 4.320 0.013 0.000 0.218 185 A C 2.027 179.517 177.584 -0.156 0.000 1.181 185 A CA 1.876 53.861 52.037 -0.087 0.000 0.627 185 A CB -1.468 17.425 19.000 -0.179 0.000 0.818 185 A HN 0.451 nan 8.150 nan 0.000 0.445 186 F N -2.080 117.967 119.950 0.161 0.000 2.367 186 F HA 0.088 4.623 4.527 0.013 0.000 0.298 186 F C 1.845 177.740 175.800 0.158 0.000 1.094 186 F CA 0.276 58.401 58.000 0.208 0.000 1.409 186 F CB -0.679 38.513 39.000 0.319 0.000 1.064 186 F HN 0.326 nan 8.300 nan 0.000 0.528 187 F N 0.733 120.748 119.950 0.110 0.000 2.134 187 F HA -0.143 4.392 4.527 0.012 0.000 0.299 187 F C 2.340 178.024 175.800 -0.193 0.000 1.097 187 F CA 1.303 59.107 58.000 -0.327 0.000 1.264 187 F CB -0.467 38.404 39.000 -0.216 0.000 1.001 187 F HN -0.072 nan 8.300 nan 0.000 0.479 188 A N -0.243 122.577 122.820 0.001 0.000 1.877 188 A HA -0.267 4.060 4.320 0.013 0.000 0.216 188 A C 2.218 179.727 177.584 -0.125 0.000 1.186 188 A CA 1.812 53.876 52.037 0.045 0.000 0.620 188 A CB -1.101 17.970 19.000 0.119 0.000 0.822 188 A HN 0.563 nan 8.150 nan 0.000 0.443 189 Q N -1.346 118.374 119.800 -0.133 0.000 2.050 189 Q HA -0.259 4.088 4.340 0.013 0.000 0.202 189 Q C 2.175 177.915 176.000 -0.433 0.000 0.980 189 Q CA 1.801 57.420 55.803 -0.306 0.000 0.840 189 Q CB -0.335 28.276 28.738 -0.212 0.000 0.898 189 Q HN 0.886 nan 8.270 nan 0.000 0.424 190 H N -0.551 118.282 119.070 -0.393 0.000 2.326 190 H HA -0.159 4.404 4.556 0.013 0.000 0.301 190 H C 1.964 177.107 175.328 -0.308 0.000 1.081 190 H CA 1.713 57.522 56.048 -0.397 0.000 1.334 190 H CB -0.326 29.209 29.762 -0.378 0.000 1.385 190 H HN 0.353 nan 8.280 nan 0.000 0.504 191 F N 2.209 121.776 119.950 -0.638 0.000 2.075 191 F HA -0.207 4.328 4.527 0.012 0.000 0.297 191 F C 2.782 177.949 175.800 -1.055 0.000 1.113 191 F CA 2.541 60.049 58.000 -0.821 0.000 1.218 191 F CB -0.943 37.526 39.000 -0.885 0.000 0.984 191 F HN 0.248 nan 8.300 nan 0.000 0.472 192 T N -2.762 111.085 114.554 -1.178 0.000 2.915 192 T HA -0.207 4.151 4.350 0.013 0.000 0.269 192 T C 1.483 175.270 174.700 -1.521 0.000 1.071 192 T CA 1.717 62.737 62.100 -1.800 0.000 1.132 192 T CB -0.901 67.293 68.868 -1.123 0.000 0.878 192 T HN 0.395 nan 8.240 nan 0.000 0.479 193 H N 1.579 120.065 119.070 -0.973 0.000 2.547 193 H HA 0.166 4.730 4.556 0.012 0.000 0.266 193 H C 2.384 177.306 175.328 -0.676 0.000 0.988 193 H CA 0.717 56.424 56.048 -0.569 0.000 1.147 193 H CB -0.215 29.483 29.762 -0.107 0.000 1.365 193 H HN 0.752 nan 8.280 nan 0.000 0.589 194 Q N 0.023 119.215 119.800 -1.013 0.000 2.269 194 Q HA -0.068 4.280 4.340 0.013 0.000 0.201 194 Q C 0.854 176.454 176.000 -0.666 0.000 0.946 194 Q CA 1.111 56.380 55.803 -0.891 0.000 0.877 194 Q CB -0.153 27.881 28.738 -1.174 0.000 0.963 194 Q HN 0.600 nan 8.270 nan 0.000 0.472 195 F N -2.733 116.795 119.950 -0.705 0.000 2.746 195 F HA 0.479 5.014 4.527 0.012 0.000 0.313 195 F C -0.245 175.286 175.800 -0.448 0.000 1.095 195 F CA -1.163 56.477 58.000 -0.600 0.000 1.224 195 F CB 0.529 39.152 39.000 -0.628 0.000 1.060 195 F HN -0.226 nan 8.300 nan 0.000 0.584 196 F N 3.600 123.370 119.950 -0.299 0.000 2.313 196 F HA 0.505 5.040 4.527 0.013 0.000 0.369 196 F C -0.078 175.531 175.800 -0.318 0.000 1.109 196 F CA -1.706 56.153 58.000 -0.235 0.000 1.132 196 F CB 0.964 39.693 39.000 -0.452 0.000 1.291 196 F HN -0.035 nan 8.300 nan 0.000 0.496 197 K N 2.178 122.599 120.400 0.034 0.000 3.050 197 K HA 0.185 4.513 4.320 0.013 0.000 0.185 197 K C -0.491 176.070 176.600 -0.066 0.000 1.147 197 K CA -0.324 55.907 56.287 -0.093 0.000 0.916 197 K CB 1.100 33.499 32.500 -0.168 0.000 1.119 197 K HN 0.374 nan 8.250 nan 0.000 0.605 198 T N 1.385 115.927 114.554 -0.020 0.000 2.934 198 T HA -0.061 4.297 4.350 0.013 0.000 0.306 198 T C 0.130 174.654 174.700 -0.293 0.000 1.042 198 T CA 0.443 62.469 62.100 -0.123 0.000 1.145 198 T CB 0.399 69.118 68.868 -0.247 0.000 0.982 198 T HN 0.237 nan 8.240 nan 0.000 0.544 199 D N 1.226 121.483 120.400 -0.239 0.000 2.479 199 D HA 0.079 4.726 4.640 0.013 0.000 0.218 199 D C 1.084 177.275 176.300 -0.181 0.000 1.131 199 D CA -0.374 53.521 54.000 -0.176 0.000 0.916 199 D CB 0.146 40.866 40.800 -0.133 0.000 1.022 199 D HN 0.542 nan 8.370 nan 0.000 0.515 200 H N 2.335 121.401 119.070 -0.007 0.000 2.495 200 H HA -0.016 4.547 4.556 0.012 0.000 0.287 200 H C 1.413 176.723 175.328 -0.031 0.000 1.033 200 H CA 0.669 56.716 56.048 -0.001 0.000 1.307 200 H CB 0.614 30.377 29.762 0.002 0.000 1.401 200 H HN 0.417 nan 8.280 nan 0.000 0.555 201 K N 0.759 121.174 120.400 0.025 0.000 2.074 201 K HA -0.139 4.189 4.320 0.013 0.000 0.209 201 K C 2.320 178.859 176.600 -0.102 0.000 1.048 201 K CA 1.327 57.590 56.287 -0.039 0.000 0.926 201 K CB 0.083 32.540 32.500 -0.072 0.000 0.713 201 K HN 0.242 nan 8.250 nan 0.000 0.444 202 R N -0.527 119.858 120.500 -0.193 0.000 2.112 202 R HA 0.106 4.454 4.340 0.013 0.000 0.216 202 R C 0.751 176.945 176.300 -0.177 0.000 1.080 202 R CA 0.686 56.550 56.100 -0.394 0.000 0.996 202 R CB 0.472 30.228 30.300 -0.906 0.000 0.902 202 R HN 0.303 nan 8.270 nan 0.000 0.449 203 G N -0.435 108.379 108.800 0.025 0.000 2.347 203 G HA2 -0.102 3.866 3.960 0.013 0.000 0.477 203 G HA3 -0.102 3.866 3.960 0.013 0.000 0.477 203 G C -2.513 172.511 174.900 0.207 0.000 1.349 203 G CA -0.847 44.358 45.100 0.174 0.000 1.000 203 G HN -0.185 nan 8.290 nan 0.000 0.605 204 P HA 0.020 nan 4.420 nan 0.000 0.222 204 P C 1.603 178.980 177.300 0.128 0.000 1.147 204 P CA 1.776 64.925 63.100 0.083 0.000 0.790 204 P CB -0.026 31.698 31.700 0.040 0.000 0.780 205 G N -1.914 106.944 108.800 0.098 0.000 3.262 205 G HA2 0.171 4.138 3.960 0.013 0.000 0.228 205 G HA3 0.171 4.138 3.960 0.013 0.000 0.228 205 G C -0.203 174.509 174.900 -0.314 0.000 1.197 205 G CA -0.081 44.993 45.100 -0.042 0.000 0.819 205 G HN 0.152 nan 8.290 nan 0.000 0.531 206 F N -0.955 118.984 119.950 -0.020 0.000 2.563 206 F HA 0.597 5.132 4.527 0.013 0.000 0.316 206 F C 0.184 175.689 175.800 -0.492 0.000 1.076 206 F CA -0.846 56.981 58.000 -0.288 0.000 0.921 206 F CB 2.635 41.461 39.000 -0.291 0.000 1.209 206 F HN -0.158 nan 8.300 nan 0.000 0.462 207 T N 1.052 115.297 114.554 -0.514 0.000 2.887 207 T HA 0.433 4.791 4.350 0.013 0.000 0.288 207 T C 0.608 175.107 174.700 -0.335 0.000 1.021 207 T CA -0.564 61.152 62.100 -0.640 0.000 1.000 207 T CB 1.228 69.426 68.868 -1.116 0.000 1.034 207 T HN 0.721 nan 8.240 nan 0.000 0.467 208 R N 1.928 122.268 120.500 -0.266 0.000 2.300 208 R HA 0.237 4.585 4.340 0.013 0.000 0.199 208 R C 1.362 177.532 176.300 -0.218 0.000 0.920 208 R CA 0.031 56.011 56.100 -0.200 0.000 1.046 208 R CB 0.374 30.580 30.300 -0.157 0.000 0.984 208 R HN 0.591 nan 8.270 nan 0.000 0.493 209 G N 1.142 109.768 108.800 -0.290 0.000 3.064 209 G HA2 0.156 4.123 3.960 0.013 0.000 0.286 209 G HA3 0.156 4.123 3.960 0.013 0.000 0.286 209 G C 0.717 175.397 174.900 -0.367 0.000 0.834 209 G CA -0.373 44.553 45.100 -0.290 0.000 1.856 209 G HN 0.145 nan 8.290 nan 0.000 0.559 210 L N 1.422 122.516 121.223 -0.214 0.000 2.376 210 L HA 0.021 4.368 4.340 0.013 0.000 0.219 210 L C 2.727 179.611 176.870 0.023 0.000 1.133 210 L CA 0.875 55.660 54.840 -0.092 0.000 0.816 210 L CB -0.043 41.990 42.059 -0.043 0.000 0.933 210 L HN 0.514 nan 8.230 nan 0.000 0.449 211 G N -2.120 106.659 108.800 -0.035 0.000 2.534 211 G HA2 -0.185 3.782 3.960 0.013 0.000 0.217 211 G HA3 -0.185 3.782 3.960 0.013 0.000 0.217 211 G C 0.638 175.586 174.900 0.080 0.000 1.128 211 G CA -0.049 45.062 45.100 0.019 0.000 0.784 211 G HN 0.568 nan 8.290 nan 0.000 0.542 212 H N -0.498 118.541 119.070 -0.052 0.000 2.713 212 H HA -0.166 4.397 4.556 0.012 0.000 0.311 212 H C 1.134 176.418 175.328 -0.073 0.000 1.175 212 H CA 1.107 57.126 56.048 -0.049 0.000 1.143 212 H CB -1.336 28.393 29.762 -0.054 0.000 1.434 212 H HN 0.767 nan 8.280 nan 0.000 0.418 213 G N -1.686 107.112 108.800 -0.003 0.000 2.356 213 G HA2 0.267 4.234 3.960 0.013 0.000 0.281 213 G HA3 0.267 4.234 3.960 0.013 0.000 0.281 213 G C -0.827 174.099 174.900 0.043 0.000 1.246 213 G CA -0.241 44.835 45.100 -0.039 0.000 0.889 213 G HN 0.138 nan 8.290 nan 0.000 0.486 214 V N 2.422 122.371 119.914 0.058 0.000 2.223 214 V HA 0.263 4.391 4.120 0.013 0.000 0.249 214 V C 0.315 176.448 176.094 0.064 0.000 1.233 214 V CA 0.714 63.058 62.300 0.073 0.000 1.131 214 V CB 0.214 32.146 31.823 0.181 0.000 1.298 214 V HN 0.750 nan 8.190 nan 0.000 0.498 215 D N 2.888 123.303 120.400 0.026 0.000 2.398 215 D HA 0.052 4.700 4.640 0.013 0.000 0.210 215 D C 0.933 177.303 176.300 0.116 0.000 1.094 215 D CA -0.388 53.648 54.000 0.061 0.000 0.839 215 D CB 0.069 40.891 40.800 0.036 0.000 0.963 215 D HN 0.350 nan 8.370 nan 0.000 0.506 216 L N 0.933 122.216 121.223 0.099 0.000 3.737 216 L HA -0.347 4.001 4.340 0.013 0.000 0.418 216 L C 0.860 177.880 176.870 0.251 0.000 1.216 216 L CA 0.655 55.629 54.840 0.224 0.000 0.915 216 L CB -2.353 39.834 42.059 0.214 0.000 1.834 216 L HN 0.285 nan 8.230 nan 0.000 0.943 217 N N -0.204 118.574 118.700 0.129 0.000 2.289 217 N HA -0.209 4.538 4.740 0.013 0.000 0.184 217 N C 1.781 177.287 175.510 -0.007 0.000 1.016 217 N CA 1.640 54.726 53.050 0.060 0.000 0.872 217 N CB -0.268 38.197 38.487 -0.037 0.000 0.973 217 N HN 0.721 nan 8.380 nan 0.000 0.433 218 H N -0.322 118.567 119.070 -0.301 0.000 2.521 218 H HA 0.063 4.627 4.556 0.013 0.000 0.286 218 H C 1.492 176.640 175.328 -0.300 0.000 1.034 218 H CA 0.867 56.654 56.048 -0.434 0.000 1.278 218 H CB -0.442 29.008 29.762 -0.521 0.000 1.386 218 H HN 0.429 nan 8.280 nan 0.000 0.567 219 I N -0.874 119.426 120.570 -0.451 0.000 2.810 219 I HA -0.083 4.094 4.170 0.013 0.000 0.262 219 I C 1.297 177.141 176.117 -0.456 0.000 1.131 219 I CA 0.350 61.308 61.300 -0.570 0.000 1.453 219 I CB 0.015 37.462 38.000 -0.921 0.000 1.161 219 I HN 0.003 nan 8.210 nan 0.000 0.444 220 Y N 1.197 121.477 120.300 -0.033 0.000 2.462 220 Y HA 0.451 5.008 4.550 0.013 0.000 0.261 220 Y C 1.161 177.067 175.900 0.009 0.000 1.146 220 Y CA 0.015 58.136 58.100 0.034 0.000 1.283 220 Y CB -0.061 38.472 38.460 0.121 0.000 1.090 220 Y HN 0.141 nan 8.280 nan 0.000 0.526 221 G N 0.546 109.386 108.800 0.067 0.000 2.705 221 G HA2 -0.193 3.775 3.960 0.013 0.000 0.686 221 G HA3 -0.193 3.775 3.960 0.013 0.000 0.686 221 G C 0.339 175.246 174.900 0.012 0.000 1.285 221 G CA -0.346 44.758 45.100 0.008 0.000 0.800 221 G HN 0.066 nan 8.290 nan 0.000 0.611 222 E N -0.396 119.780 120.200 -0.039 0.000 2.072 222 E HA -0.012 4.346 4.350 0.013 0.000 0.191 222 E C 1.993 178.573 176.600 -0.034 0.000 0.985 222 E CA 1.910 58.282 56.400 -0.045 0.000 0.801 222 E CB -0.152 29.502 29.700 -0.076 0.000 0.750 222 E HN 1.009 nan 8.360 nan 0.000 0.452 223 T N -2.065 112.465 114.554 -0.041 0.000 2.943 223 T HA 0.313 4.670 4.350 0.013 0.000 0.284 223 T C 1.382 176.039 174.700 -0.072 0.000 1.015 223 T CA -0.718 61.351 62.100 -0.052 0.000 1.042 223 T CB 1.549 70.384 68.868 -0.055 0.000 1.055 223 T HN -0.047 nan 8.240 nan 0.000 0.500 224 L N 0.328 121.481 121.223 -0.116 0.000 2.079 224 L HA -0.104 4.244 4.340 0.013 0.000 0.210 224 L C 2.255 178.933 176.870 -0.319 0.000 1.081 224 L CA 2.121 56.811 54.840 -0.250 0.000 0.752 224 L CB -0.471 41.425 42.059 -0.273 0.000 0.896 224 L HN 0.918 nan 8.230 nan 0.000 0.433 225 D N -0.707 119.595 120.400 -0.163 0.000 2.144 225 D HA -0.242 4.405 4.640 0.013 0.000 0.199 225 D C 2.330 178.625 176.300 -0.008 0.000 0.984 225 D CA 1.020 54.978 54.000 -0.070 0.000 0.834 225 D CB 0.120 40.901 40.800 -0.033 0.000 0.955 225 D HN 0.115 nan 8.370 nan 0.000 0.465 226 R N -0.029 120.457 120.500 -0.023 0.000 2.075 226 R HA -0.080 4.267 4.340 0.013 0.000 0.226 226 R C 2.304 178.618 176.300 0.023 0.000 1.114 226 R CA 0.972 57.073 56.100 0.002 0.000 0.972 226 R CB -0.149 30.142 30.300 -0.016 0.000 0.869 226 R HN 0.228 nan 8.270 nan 0.000 0.437 227 Q N -0.097 119.709 119.800 0.010 0.000 2.077 227 Q HA -0.245 4.102 4.340 0.013 0.000 0.206 227 Q C 1.696 177.729 176.000 0.055 0.000 0.989 227 Q CA 2.010 57.836 55.803 0.037 0.000 0.853 227 Q CB -0.180 28.573 28.738 0.025 0.000 0.907 227 Q HN 0.656 nan 8.270 nan 0.000 0.418 228 H N -0.382 118.676 119.070 -0.020 0.000 2.353 228 H HA -0.091 4.473 4.556 0.013 0.000 0.300 228 H C 2.129 177.511 175.328 0.090 0.000 1.090 228 H CA 1.177 57.274 56.048 0.082 0.000 1.327 228 H CB 0.233 30.128 29.762 0.221 0.000 1.383 228 H HN 0.203 nan 8.280 nan 0.000 0.508 229 K N 0.565 121.075 120.400 0.184 0.000 2.147 229 K HA -0.099 4.229 4.320 0.013 0.000 0.205 229 K C 1.806 178.440 176.600 0.056 0.000 1.049 229 K CA 0.787 57.143 56.287 0.114 0.000 0.936 229 K CB 0.117 32.664 32.500 0.077 0.000 0.722 229 K HN 0.245 nan 8.250 nan 0.000 0.446 230 L N 0.208 121.442 121.223 0.019 0.000 2.509 230 L HA 0.030 4.378 4.340 0.013 0.000 0.222 230 L C 0.612 177.438 176.870 -0.072 0.000 1.123 230 L CA 0.114 54.952 54.840 -0.002 0.000 0.856 230 L CB 0.079 42.148 42.059 0.016 0.000 0.985 230 L HN 0.008 nan 8.230 nan 0.000 0.456 231 R N -0.239 120.126 120.500 -0.225 0.000 2.404 231 R HA 0.154 4.502 4.340 0.013 0.000 0.291 231 R C 0.720 176.769 176.300 -0.419 0.000 1.025 231 R CA -0.502 55.309 56.100 -0.483 0.000 0.991 231 R CB 1.545 31.193 30.300 -1.087 0.000 1.053 231 R HN -0.093 nan 8.270 nan 0.000 0.479 232 L N 2.714 123.784 121.223 -0.254 0.000 2.179 232 L HA 0.112 4.460 4.340 0.013 0.000 0.208 232 L C 0.243 177.128 176.870 0.026 0.000 1.096 232 L CA 1.302 56.110 54.840 -0.053 0.000 0.779 232 L CB -0.200 41.897 42.059 0.064 0.000 0.922 232 L HN 0.841 nan 8.230 nan 0.000 0.443 233 F N -1.060 118.888 119.950 -0.004 0.000 2.988 233 F HA -0.305 4.230 4.527 0.013 0.000 0.287 233 F C 0.485 176.296 175.800 0.019 0.000 0.781 233 F CA 0.730 58.713 58.000 -0.028 0.000 1.221 233 F CB -1.650 37.303 39.000 -0.078 0.000 1.392 233 F HN 0.107 nan 8.300 nan 0.000 0.425 234 K N 0.507 121.004 120.400 0.162 0.000 2.471 234 K HA 0.296 4.623 4.320 0.013 0.000 0.252 234 K C -0.079 176.612 176.600 0.152 0.000 0.938 234 K CA -0.774 55.602 56.287 0.147 0.000 0.796 234 K CB 1.699 34.275 32.500 0.127 0.000 1.161 234 K HN -0.010 nan 8.250 nan 0.000 0.425 235 D N 1.500 121.994 120.400 0.156 0.000 2.911 235 D HA -0.188 4.460 4.640 0.013 0.000 0.227 235 D C 0.774 177.195 176.300 0.201 0.000 1.164 235 D CA 1.789 55.890 54.000 0.169 0.000 0.782 235 D CB -1.189 39.699 40.800 0.148 0.000 1.094 235 D HN 1.111 nan 8.370 nan 0.000 0.425 236 G N -0.756 108.178 108.800 0.223 0.000 2.168 236 G HA2 -0.401 3.567 3.960 0.013 0.000 0.263 236 G HA3 -0.401 3.567 3.960 0.013 0.000 0.263 236 G C 0.406 175.578 174.900 0.454 0.000 0.977 236 G CA 1.020 46.314 45.100 0.324 0.000 0.659 236 G HN 0.522 nan 8.290 nan 0.000 0.533 237 K N -0.732 119.858 120.400 0.317 0.000 2.090 237 K HA 0.657 4.984 4.320 0.013 0.000 0.250 237 K C 0.087 176.844 176.600 0.262 0.000 1.004 237 K CA -1.016 55.496 56.287 0.375 0.000 0.919 237 K CB 0.830 33.501 32.500 0.286 0.000 1.045 237 K HN 0.004 nan 8.250 nan 0.000 0.471 238 L N 2.104 123.486 121.223 0.266 0.000 2.334 238 L HA 0.233 4.581 4.340 0.013 0.000 0.277 238 L C 0.068 177.061 176.870 0.205 0.000 1.075 238 L CA -0.076 54.842 54.840 0.130 0.000 0.804 238 L CB 0.979 43.078 42.059 0.067 0.000 1.174 238 L HN 0.450 nan 8.230 nan 0.000 0.438 239 K N 3.013 123.485 120.400 0.119 0.000 2.469 239 K HA 0.226 4.553 4.320 0.013 0.000 0.274 239 K C -1.103 175.638 176.600 0.235 0.000 0.983 239 K CA 0.597 56.956 56.287 0.120 0.000 0.974 239 K CB 0.367 32.892 32.500 0.042 0.000 0.913 239 K HN 0.567 nan 8.250 nan 0.000 0.493 240 Y N -1.954 118.380 120.300 0.057 0.000 2.670 240 Y HA 0.327 4.885 4.550 0.013 0.000 0.334 240 Y C -1.213 174.735 175.900 0.080 0.000 1.185 240 Y CA -1.409 56.730 58.100 0.065 0.000 1.053 240 Y CB 1.081 39.567 38.460 0.044 0.000 1.298 240 Y HN 0.581 nan 8.280 nan 0.000 0.459 241 Q N 0.412 120.328 119.800 0.194 0.000 2.458 241 Q HA 0.839 5.186 4.340 0.013 0.000 0.282 241 Q C -1.932 174.233 176.000 0.275 0.000 1.106 241 Q CA -1.400 54.477 55.803 0.124 0.000 0.814 241 Q CB 3.047 31.858 28.738 0.121 0.000 1.425 241 Q HN 0.570 nan 8.270 nan 0.000 0.437 242 V N 2.054 122.089 119.914 0.202 0.000 2.357 242 V HA 0.476 4.604 4.120 0.013 0.000 0.284 242 V C -0.631 175.572 176.094 0.182 0.000 1.018 242 V CA -0.497 61.931 62.300 0.213 0.000 0.841 242 V CB 1.015 32.940 31.823 0.169 0.000 0.991 242 V HN 0.643 nan 8.190 nan 0.000 0.437 243 I N 3.740 124.458 120.570 0.246 0.000 2.410 243 I HA 0.593 4.771 4.170 0.013 0.000 0.286 243 I C 1.021 177.240 176.117 0.169 0.000 1.009 243 I CA -0.446 60.957 61.300 0.172 0.000 1.111 243 I CB 1.728 39.796 38.000 0.114 0.000 1.262 243 I HN 0.819 nan 8.210 nan 0.000 0.443 244 G N 4.238 113.097 108.800 0.098 0.000 2.249 244 G HA2 -0.130 3.838 3.960 0.013 0.000 0.273 244 G HA3 -0.130 3.838 3.960 0.013 0.000 0.273 244 G C 0.960 175.907 174.900 0.079 0.000 1.036 244 G CA 0.513 45.660 45.100 0.079 0.000 0.824 244 G HN 1.562 nan 8.290 nan 0.000 0.504 245 G N -1.789 107.057 108.800 0.077 0.000 2.153 245 G HA2 -0.189 3.779 3.960 0.013 0.000 0.252 245 G HA3 -0.189 3.779 3.960 0.013 0.000 0.252 245 G C -0.043 174.882 174.900 0.042 0.000 0.994 245 G CA 0.916 46.050 45.100 0.056 0.000 0.698 245 G HN 1.056 nan 8.290 nan 0.000 0.521 246 E N -0.425 119.817 120.200 0.070 0.000 2.248 246 E HA 0.506 4.864 4.350 0.013 0.000 0.267 246 E C -0.128 176.424 176.600 -0.079 0.000 0.877 246 E CA -0.813 55.566 56.400 -0.034 0.000 0.759 246 E CB 2.499 32.188 29.700 -0.018 0.000 1.182 246 E HN 0.088 nan 8.360 nan 0.000 0.418 247 V N 3.781 123.555 119.914 -0.233 0.000 2.488 247 V HA 0.190 4.317 4.120 0.013 0.000 0.277 247 V C -0.669 175.170 176.094 -0.425 0.000 1.046 247 V CA 0.228 62.427 62.300 -0.169 0.000 0.986 247 V CB -0.335 31.362 31.823 -0.210 0.000 0.989 247 V HN 0.526 nan 8.190 nan 0.000 0.475 248 Y N 4.741 125.042 120.300 0.003 0.000 2.634 248 Y HA 0.516 5.073 4.550 0.013 0.000 0.340 248 Y C -2.296 173.579 175.900 -0.042 0.000 1.058 248 Y CA -2.645 55.372 58.100 -0.138 0.000 1.081 248 Y CB 2.088 40.413 38.460 -0.226 0.000 1.295 248 Y HN 0.423 nan 8.280 nan 0.000 0.487 249 P HA 0.101 nan 4.420 nan 0.000 0.272 249 P C -2.560 174.920 177.300 0.299 0.000 1.230 249 P CA -1.027 62.148 63.100 0.125 0.000 0.788 249 P CB 0.060 31.797 31.700 0.062 0.000 0.949 250 P HA 0.075 nan 4.420 nan 0.000 0.277 250 P C -0.412 177.024 177.300 0.227 0.000 1.276 250 P CA 0.006 63.227 63.100 0.201 0.000 0.788 250 P CB 0.090 31.857 31.700 0.112 0.000 1.114 251 T N -3.466 111.151 114.554 0.105 0.000 2.927 251 T HA 0.224 4.582 4.350 0.013 0.000 0.281 251 T C 1.465 176.183 174.700 0.031 0.000 0.998 251 T CA -0.709 61.403 62.100 0.020 0.000 1.019 251 T CB 0.183 69.001 68.868 -0.084 0.000 1.061 251 T HN 0.069 nan 8.240 nan 0.000 0.518 252 V N 1.482 121.406 119.914 0.016 0.000 2.282 252 V HA -0.195 3.932 4.120 0.013 0.000 0.249 252 V C 2.876 178.973 176.094 0.005 0.000 1.057 252 V CA 2.350 64.668 62.300 0.030 0.000 1.032 252 V CB -0.853 30.991 31.823 0.035 0.000 0.645 252 V HN 1.031 nan 8.190 nan 0.000 0.447 253 K N -0.440 119.945 120.400 -0.025 0.000 2.057 253 K HA -0.235 4.092 4.320 0.013 0.000 0.207 253 K C 1.889 178.482 176.600 -0.011 0.000 1.049 253 K CA 1.904 58.176 56.287 -0.025 0.000 0.931 253 K CB -0.267 32.206 32.500 -0.045 0.000 0.714 253 K HN 0.467 nan 8.250 nan 0.000 0.440 254 D N -0.104 120.291 120.400 -0.007 0.000 2.117 254 D HA -0.127 4.521 4.640 0.013 0.000 0.197 254 D C 1.781 178.090 176.300 0.015 0.000 0.987 254 D CA 2.026 56.028 54.000 0.002 0.000 0.829 254 D CB -0.054 40.751 40.800 0.007 0.000 0.961 254 D HN 0.492 nan 8.370 nan 0.000 0.460 255 T N -3.496 111.074 114.554 0.026 0.000 3.023 255 T HA 0.120 4.478 4.350 0.013 0.000 0.253 255 T C 0.909 175.630 174.700 0.035 0.000 1.038 255 T CA -0.075 62.047 62.100 0.037 0.000 0.962 255 T CB 0.601 69.498 68.868 0.048 0.000 1.018 255 T HN 0.053 nan 8.240 nan 0.000 0.521 256 Q N 0.082 119.897 119.800 0.025 0.000 2.452 256 Q HA -0.160 4.188 4.340 0.013 0.000 0.248 256 Q C 0.088 176.102 176.000 0.024 0.000 0.874 256 Q CA 0.695 56.511 55.803 0.021 0.000 1.208 256 Q CB -2.141 26.608 28.738 0.018 0.000 1.569 256 Q HN 0.793 nan 8.270 nan 0.000 0.579 257 V N -1.006 118.927 119.914 0.032 0.000 2.509 257 V HA 0.348 4.476 4.120 0.013 0.000 0.284 257 V C 0.347 176.458 176.094 0.028 0.000 1.047 257 V CA -0.458 61.859 62.300 0.027 0.000 0.952 257 V CB 1.599 33.441 31.823 0.032 0.000 0.988 257 V HN 0.149 nan 8.190 nan 0.000 0.469 258 E N 6.410 126.616 120.200 0.010 0.000 2.316 258 E HA 0.390 4.748 4.350 0.013 0.000 0.275 258 E C -0.546 176.052 176.600 -0.003 0.000 1.029 258 E CA -0.273 56.130 56.400 0.006 0.000 0.871 258 E CB 1.051 30.744 29.700 -0.011 0.000 1.022 258 E HN 0.634 nan 8.360 nan 0.000 0.418 259 M N 2.271 121.879 119.600 0.013 0.000 2.572 259 M HA 0.422 4.909 4.480 0.013 0.000 0.299 259 M C -0.380 175.850 176.300 -0.117 0.000 1.205 259 M CA -0.824 54.441 55.300 -0.058 0.000 0.876 259 M CB 1.702 34.312 32.600 0.017 0.000 1.728 259 M HN 0.421 nan 8.290 nan 0.000 0.458 260 I N 2.409 122.828 120.570 -0.252 0.000 2.308 260 I HA 0.245 4.423 4.170 0.013 0.000 0.293 260 I C -1.256 174.624 176.117 -0.396 0.000 1.078 260 I CA -0.063 61.108 61.300 -0.215 0.000 1.292 260 I CB -0.096 37.822 38.000 -0.137 0.000 1.423 260 I HN 0.502 nan 8.210 nan 0.000 0.493 261 Y N 6.476 126.736 120.300 -0.067 0.000 2.492 261 Y HA 0.411 4.968 4.550 0.013 0.000 0.346 261 Y C -2.036 173.728 175.900 -0.227 0.000 0.997 261 Y CA -2.168 55.852 58.100 -0.134 0.000 1.025 261 Y CB 2.005 40.391 38.460 -0.125 0.000 1.263 261 Y HN 0.434 nan 8.280 nan 0.000 0.454 262 P HA 0.117 nan 4.420 nan 0.000 0.272 262 P C -2.258 174.867 177.300 -0.291 0.000 1.223 262 P CA -1.365 61.550 63.100 -0.308 0.000 0.784 262 P CB 0.817 32.206 31.700 -0.518 0.000 0.923 263 P HA -0.193 nan 4.420 nan 0.000 0.218 263 P C 1.393 178.632 177.300 -0.101 0.000 1.148 263 P CA 1.611 64.653 63.100 -0.096 0.000 0.822 263 P CB -0.481 31.202 31.700 -0.029 0.000 0.784 264 H N -1.480 117.557 119.070 -0.056 0.000 2.546 264 H HA 0.034 4.597 4.556 0.013 0.000 0.277 264 H C 0.688 175.973 175.328 -0.073 0.000 1.004 264 H CA -0.084 55.932 56.048 -0.054 0.000 1.231 264 H CB -0.516 29.224 29.762 -0.038 0.000 1.382 264 H HN 0.041 nan 8.280 nan 0.000 0.580 265 I N 5.170 125.510 120.570 -0.383 0.000 2.587 265 I HA 0.040 4.218 4.170 0.013 0.000 0.284 265 I C -1.802 174.170 176.117 -0.241 0.000 1.134 265 I CA -2.133 58.987 61.300 -0.301 0.000 1.410 265 I CB 0.678 38.437 38.000 -0.402 0.000 1.392 265 I HN 0.136 nan 8.210 nan 0.000 0.545 266 P HA 0.088 nan 4.420 nan 0.000 0.269 266 P C 0.509 177.650 177.300 -0.266 0.000 1.215 266 P CA -0.169 62.820 63.100 -0.186 0.000 0.780 266 P CB 0.821 32.431 31.700 -0.150 0.000 0.898 267 E N 1.540 121.612 120.200 -0.213 0.000 2.110 267 E HA -0.216 4.142 4.350 0.013 0.000 0.193 267 E C 1.418 177.847 176.600 -0.284 0.000 0.988 267 E CA 1.429 57.694 56.400 -0.225 0.000 0.804 267 E CB -0.327 29.285 29.700 -0.147 0.000 0.745 267 E HN 0.574 nan 8.360 nan 0.000 0.458 268 N N 0.839 119.379 118.700 -0.266 0.000 2.520 268 N HA -0.137 4.611 4.740 0.013 0.000 0.185 268 N C 1.346 176.541 175.510 -0.526 0.000 1.068 268 N CA 0.841 53.708 53.050 -0.305 0.000 0.911 268 N CB -0.252 38.114 38.487 -0.203 0.000 0.961 268 N HN 0.221 nan 8.380 nan 0.000 0.446 269 L N -0.693 120.178 121.223 -0.585 0.000 2.693 269 L HA 0.207 4.554 4.340 0.013 0.000 0.235 269 L C 0.256 176.507 176.870 -1.032 0.000 1.127 269 L CA -0.064 54.275 54.840 -0.834 0.000 0.914 269 L CB 0.003 41.770 42.059 -0.487 0.000 1.193 269 L HN 0.059 nan 8.230 nan 0.000 0.502 270 Q N 1.141 120.422 119.800 -0.866 0.000 2.664 270 Q HA 0.191 4.539 4.340 0.013 0.000 0.223 270 Q C -0.819 174.943 176.000 -0.397 0.000 1.298 270 Q CA -0.098 55.177 55.803 -0.880 0.000 0.965 270 Q CB 0.006 28.421 28.738 -0.539 0.000 1.510 270 Q HN 0.202 nan 8.270 nan 0.000 0.567 271 F N 0.970 120.910 119.950 -0.016 0.000 2.443 271 F HA 0.278 4.813 4.527 0.013 0.000 0.353 271 F C 0.736 176.664 175.800 0.212 0.000 1.101 271 F CA -0.757 57.313 58.000 0.117 0.000 1.226 271 F CB 0.839 39.909 39.000 0.116 0.000 1.140 271 F HN 0.361 nan 8.300 nan 0.000 0.557 272 A N 4.323 127.345 122.820 0.337 0.000 2.249 272 A HA 0.710 5.037 4.320 0.013 0.000 0.314 272 A C -0.597 177.082 177.584 0.160 0.000 1.290 272 A CA -0.490 51.672 52.037 0.209 0.000 0.893 272 A CB 0.351 19.434 19.000 0.138 0.000 1.165 272 A HN 0.686 nan 8.150 nan 0.000 0.530 273 V N 0.057 120.040 119.914 0.115 0.000 3.167 273 V HA 0.870 4.997 4.120 0.013 0.000 0.310 273 V C 1.178 177.251 176.094 -0.034 0.000 1.207 273 V CA -0.073 62.264 62.300 0.062 0.000 1.059 273 V CB 0.972 32.877 31.823 0.137 0.000 1.079 273 V HN 0.953 nan 8.190 nan 0.000 0.446 274 G N -0.727 108.015 108.800 -0.097 0.000 2.469 274 G HA2 -0.116 3.852 3.960 0.013 0.000 0.219 274 G HA3 -0.116 3.852 3.960 0.013 0.000 0.219 274 G C 0.720 175.473 174.900 -0.245 0.000 1.150 274 G CA 0.910 45.918 45.100 -0.153 0.000 0.763 274 G HN 0.680 nan 8.290 nan 0.000 0.561 275 Q N 0.313 119.835 119.800 -0.463 0.000 2.314 275 Q HA 0.187 4.534 4.340 0.013 0.000 0.259 275 Q C 1.275 176.983 176.000 -0.487 0.000 0.951 275 Q CA -0.200 55.182 55.803 -0.701 0.000 0.909 275 Q CB 1.753 29.506 28.738 -1.641 0.000 1.236 275 Q HN 0.741 nan 8.270 nan 0.000 0.444 276 E N 1.995 122.021 120.200 -0.289 0.000 2.333 276 E HA -0.115 4.243 4.350 0.013 0.000 0.198 276 E C 1.017 177.527 176.600 -0.150 0.000 1.007 276 E CA 0.721 57.018 56.400 -0.173 0.000 0.845 276 E CB 0.180 29.804 29.700 -0.128 0.000 0.766 276 E HN 0.262 nan 8.360 nan 0.000 0.507 277 V N 0.121 119.973 119.914 -0.104 0.000 3.647 277 V HA 0.032 4.160 4.120 0.013 0.000 0.279 277 V C 0.561 176.774 176.094 0.198 0.000 1.314 277 V CA 0.040 62.358 62.300 0.030 0.000 1.125 277 V CB -0.472 31.416 31.823 0.108 0.000 0.907 277 V HN 0.217 nan 8.190 nan 0.000 0.434 278 F N 1.088 121.006 119.950 -0.053 0.000 2.661 278 F HA 0.220 4.754 4.527 0.012 0.000 0.298 278 F C 2.257 178.051 175.800 -0.011 0.000 1.137 278 F CA 0.653 58.650 58.000 -0.005 0.000 1.454 278 F CB -1.076 37.947 39.000 0.038 0.000 1.103 278 F HN 0.313 nan 8.300 nan 0.000 0.577 279 G N -0.504 108.343 108.800 0.078 0.000 2.744 279 G HA2 -0.104 3.863 3.960 0.013 0.000 0.211 279 G HA3 -0.104 3.863 3.960 0.013 0.000 0.211 279 G C 1.682 176.649 174.900 0.110 0.000 1.143 279 G CA 0.019 45.172 45.100 0.088 0.000 0.788 279 G HN 0.199 nan 8.290 nan 0.000 0.534 280 L N 0.507 121.766 121.223 0.060 0.000 2.201 280 L HA 0.161 4.509 4.340 0.013 0.000 0.212 280 L C 0.263 177.075 176.870 -0.097 0.000 1.105 280 L CA 1.187 56.079 54.840 0.087 0.000 0.775 280 L CB -0.176 41.953 42.059 0.115 0.000 0.913 280 L HN 0.016 nan 8.230 nan 0.000 0.440 281 V N -0.800 119.043 119.914 -0.118 0.000 2.612 281 V HA 0.242 4.370 4.120 0.013 0.000 0.301 281 V C -1.666 174.201 176.094 -0.378 0.000 1.059 281 V CA -0.984 61.146 62.300 -0.284 0.000 0.886 281 V CB 1.612 33.373 31.823 -0.103 0.000 1.007 281 V HN -0.138 nan 8.190 nan 0.000 0.426 282 P HA -0.150 nan 4.420 nan 0.000 0.217 282 P C 1.647 178.761 177.300 -0.310 0.000 1.151 282 P CA 1.909 64.728 63.100 -0.467 0.000 0.849 282 P CB 0.262 31.613 31.700 -0.582 0.000 0.787 283 G N -0.593 107.920 108.800 -0.479 0.000 2.422 283 G HA2 -0.225 3.743 3.960 0.013 0.000 0.218 283 G HA3 -0.225 3.743 3.960 0.013 0.000 0.218 283 G C 1.360 176.036 174.900 -0.373 0.000 1.146 283 G CA 0.494 45.117 45.100 -0.794 0.000 0.769 283 G HN 0.140 nan 8.290 nan 0.000 0.547 284 L N -0.201 120.840 121.223 -0.303 0.000 2.005 284 L HA 0.127 4.475 4.340 0.013 0.000 0.207 284 L C 2.754 179.489 176.870 -0.225 0.000 1.072 284 L CA 1.522 56.200 54.840 -0.269 0.000 0.744 284 L CB -1.004 40.790 42.059 -0.441 0.000 0.895 284 L HN 0.214 nan 8.230 nan 0.000 0.433 285 M N -1.237 118.253 119.600 -0.183 0.000 2.202 285 M HA -0.234 4.253 4.480 0.013 0.000 0.262 285 M C 2.228 178.393 176.300 -0.226 0.000 1.063 285 M CA 1.503 56.721 55.300 -0.137 0.000 1.097 285 M CB -0.484 32.047 32.600 -0.116 0.000 1.382 285 M HN 0.276 nan 8.290 nan 0.000 0.413 286 M N -1.330 118.085 119.600 -0.309 0.000 2.082 286 M HA -0.303 4.185 4.480 0.013 0.000 0.258 286 M C 1.753 177.850 176.300 -0.338 0.000 1.071 286 M CA 2.062 57.132 55.300 -0.384 0.000 1.103 286 M CB -0.450 31.935 32.600 -0.358 0.000 1.307 286 M HN 0.277 nan 8.290 nan 0.000 0.409 287 Y N 0.226 120.387 120.300 -0.233 0.000 2.274 287 Y HA -0.093 4.464 4.550 0.013 0.000 0.290 287 Y C 2.600 178.354 175.900 -0.242 0.000 1.145 287 Y CA 1.396 59.307 58.100 -0.314 0.000 1.203 287 Y CB -1.030 37.063 38.460 -0.611 0.000 0.984 287 Y HN 0.415 nan 8.280 nan 0.000 0.533 288 A N -0.809 121.985 122.820 -0.044 0.000 1.933 288 A HA -0.182 4.146 4.320 0.013 0.000 0.218 288 A C 2.310 179.921 177.584 0.044 0.000 1.175 288 A CA 2.243 54.358 52.037 0.130 0.000 0.628 288 A CB -1.090 18.024 19.000 0.190 0.000 0.814 288 A HN 0.395 nan 8.150 nan 0.000 0.444 289 T N 0.182 114.687 114.554 -0.081 0.000 2.770 289 T HA -0.039 4.319 4.350 0.013 0.000 0.263 289 T C 1.815 176.429 174.700 -0.144 0.000 1.039 289 T CA 1.355 63.362 62.100 -0.154 0.000 1.142 289 T CB -0.378 68.329 68.868 -0.269 0.000 0.868 289 T HN 0.404 nan 8.240 nan 0.000 0.435 290 I N -0.655 119.813 120.570 -0.170 0.000 2.194 290 I HA -0.229 3.948 4.170 0.013 0.000 0.246 290 I C 2.179 178.201 176.117 -0.158 0.000 1.093 290 I CA 1.612 62.782 61.300 -0.217 0.000 1.355 290 I CB -0.250 37.575 38.000 -0.291 0.000 1.046 290 I HN 0.366 nan 8.210 nan 0.000 0.413 291 W N 0.280 121.560 121.300 -0.033 0.000 2.453 291 W HA -0.041 4.627 4.660 0.012 0.000 0.289 291 W C 2.442 178.951 176.519 -0.017 0.000 1.215 291 W CA 0.288 57.631 57.345 -0.004 0.000 1.297 291 W CB -0.109 29.343 29.460 -0.012 0.000 1.113 291 W HN 0.082 nan 8.180 nan 0.000 0.551 292 L N 0.794 122.117 121.223 0.167 0.000 2.017 292 L HA -0.227 4.120 4.340 0.013 0.000 0.208 292 L C 2.491 179.409 176.870 0.080 0.000 1.073 292 L CA 1.779 56.671 54.840 0.087 0.000 0.745 292 L CB -0.354 41.721 42.059 0.027 0.000 0.894 292 L HN -0.088 nan 8.230 nan 0.000 0.432 293 R N -0.344 120.149 120.500 -0.013 0.000 2.091 293 R HA -0.243 4.104 4.340 0.013 0.000 0.238 293 R C 2.220 178.512 176.300 -0.012 0.000 1.136 293 R CA 1.729 57.786 56.100 -0.072 0.000 0.959 293 R CB -0.295 29.914 30.300 -0.152 0.000 0.856 293 R HN 0.404 nan 8.270 nan 0.000 0.437 294 E N -0.178 120.041 120.200 0.031 0.000 2.072 294 E HA -0.225 4.133 4.350 0.013 0.000 0.191 294 E C 1.702 178.400 176.600 0.164 0.000 0.985 294 E CA 1.761 58.200 56.400 0.065 0.000 0.801 294 E CB -0.218 29.514 29.700 0.052 0.000 0.750 294 E HN 0.464 nan 8.360 nan 0.000 0.452 295 H N -0.070 119.103 119.070 0.172 0.000 2.289 295 H HA -0.092 4.472 4.556 0.013 0.000 0.296 295 H C 1.604 177.020 175.328 0.146 0.000 1.091 295 H CA 2.377 58.547 56.048 0.203 0.000 1.274 295 H CB -0.144 29.772 29.762 0.256 0.000 1.364 295 H HN 0.146 nan 8.280 nan 0.000 0.490 296 N N 0.106 118.942 118.700 0.228 0.000 2.309 296 N HA -0.114 4.633 4.740 0.013 0.000 0.182 296 N C 1.942 177.463 175.510 0.017 0.000 1.018 296 N CA 0.807 53.929 53.050 0.120 0.000 0.876 296 N CB -0.314 38.194 38.487 0.036 0.000 0.972 296 N HN 0.422 nan 8.380 nan 0.000 0.434 297 R N 0.580 121.081 120.500 0.002 0.000 2.075 297 R HA -0.002 4.345 4.340 0.013 0.000 0.232 297 R C 1.598 177.896 176.300 -0.004 0.000 1.126 297 R CA 0.920 57.012 56.100 -0.015 0.000 0.963 297 R CB -0.068 30.218 30.300 -0.024 0.000 0.858 297 R HN -0.012 nan 8.270 nan 0.000 0.435 298 V N 0.221 120.134 119.914 -0.003 0.000 2.453 298 V HA -0.278 3.849 4.120 0.013 0.000 0.247 298 V C 2.528 178.623 176.094 0.002 0.000 1.048 298 V CA 1.460 63.763 62.300 0.005 0.000 1.049 298 V CB -0.446 31.389 31.823 0.019 0.000 0.672 298 V HN 0.506 nan 8.190 nan 0.000 0.457 299 C N 0.332 119.607 119.300 -0.043 0.000 2.385 299 C HA -0.225 4.242 4.460 0.013 0.000 0.275 299 C C 2.547 177.572 174.990 0.058 0.000 1.207 299 C CA 1.305 60.336 59.018 0.022 0.000 1.760 299 C CB -1.073 26.693 27.740 0.043 0.000 2.051 299 C HN 0.603 nan 8.230 nan 0.000 0.467 300 D N 0.470 120.891 120.400 0.035 0.000 2.117 300 D HA -0.066 4.582 4.640 0.013 0.000 0.197 300 D C 1.971 178.282 176.300 0.018 0.000 0.987 300 D CA 1.079 55.096 54.000 0.030 0.000 0.829 300 D CB -0.395 40.412 40.800 0.011 0.000 0.961 300 D HN 0.482 nan 8.370 nan 0.000 0.460 301 I N 0.604 121.182 120.570 0.013 0.000 2.142 301 I HA -0.250 3.928 4.170 0.013 0.000 0.240 301 I C 2.451 178.565 176.117 -0.004 0.000 1.078 301 I CA 0.811 62.111 61.300 0.001 0.000 1.343 301 I CB -0.196 37.809 38.000 0.008 0.000 1.046 301 I HN -0.016 nan 8.210 nan 0.000 0.405 302 L N 0.516 121.762 121.223 0.039 0.000 2.083 302 L HA -0.229 4.119 4.340 0.013 0.000 0.209 302 L C 2.619 179.503 176.870 0.024 0.000 1.083 302 L CA 1.319 56.196 54.840 0.060 0.000 0.752 302 L CB -0.553 41.623 42.059 0.195 0.000 0.899 302 L HN 0.244 nan 8.230 nan 0.000 0.433 303 K N 0.122 120.559 120.400 0.063 0.000 2.057 303 K HA -0.286 4.042 4.320 0.013 0.000 0.207 303 K C 2.199 178.793 176.600 -0.011 0.000 1.049 303 K CA 1.666 57.989 56.287 0.061 0.000 0.931 303 K CB -0.006 32.543 32.500 0.083 0.000 0.714 303 K HN 0.076 nan 8.250 nan 0.000 0.440 304 Q N 1.054 120.834 119.800 -0.033 0.000 2.014 304 Q HA -0.211 4.137 4.340 0.013 0.000 0.207 304 Q C 1.765 177.681 176.000 -0.139 0.000 0.993 304 Q CA 2.184 57.949 55.803 -0.065 0.000 0.850 304 Q CB -0.135 28.570 28.738 -0.055 0.000 0.916 304 Q HN 0.308 nan 8.270 nan 0.000 0.417 305 E N -0.362 119.703 120.200 -0.224 0.000 2.150 305 E HA -0.108 4.250 4.350 0.013 0.000 0.193 305 E C 0.208 176.427 176.600 -0.635 0.000 0.985 305 E CA 0.922 57.064 56.400 -0.430 0.000 0.814 305 E CB -0.031 29.336 29.700 -0.554 0.000 0.752 305 E HN 0.502 nan 8.360 nan 0.000 0.466 306 H N 0.245 119.090 119.070 -0.375 0.000 2.418 306 H HA 0.166 4.729 4.556 0.013 0.000 0.238 306 H C -1.702 173.479 175.328 -0.245 0.000 1.403 306 H CA -1.762 53.960 56.048 -0.543 0.000 1.419 306 H CB 1.110 30.041 29.762 -1.385 0.000 1.463 306 H HN 0.014 nan 8.280 nan 0.000 0.515 307 P HA -0.117 nan 4.420 nan 0.000 0.225 307 P C 0.691 178.050 177.300 0.098 0.000 1.148 307 P CA 0.849 63.969 63.100 0.033 0.000 0.779 307 P CB 0.508 32.215 31.700 0.010 0.000 0.780 308 E N -1.773 118.498 120.200 0.119 0.000 2.347 308 E HA -0.090 4.267 4.350 0.013 0.000 0.196 308 E C 0.405 177.210 176.600 0.342 0.000 1.008 308 E CA 0.414 56.935 56.400 0.202 0.000 0.852 308 E CB -0.704 29.133 29.700 0.228 0.000 0.783 308 E HN 0.283 nan 8.360 nan 0.000 0.505 309 W N 1.601 122.941 121.300 0.067 0.000 2.261 309 W HA 0.554 5.221 4.660 0.013 0.000 0.323 309 W C 1.153 177.702 176.519 0.051 0.000 1.243 309 W CA -1.016 56.353 57.345 0.039 0.000 1.210 309 W CB 0.567 30.044 29.460 0.028 0.000 1.149 309 W HN -0.023 nan 8.180 nan 0.000 0.562 310 G N 0.932 109.839 108.800 0.178 0.000 2.543 310 G HA2 0.079 4.047 3.960 0.013 0.000 0.290 310 G HA3 0.079 4.047 3.960 0.013 0.000 0.290 310 G C 0.286 175.267 174.900 0.135 0.000 1.310 310 G CA -0.115 45.058 45.100 0.122 0.000 1.025 310 G HN 0.490 nan 8.290 nan 0.000 0.502 311 D N -1.401 119.077 120.400 0.131 0.000 2.144 311 D HA -0.117 4.530 4.640 0.013 0.000 0.200 311 D C 2.016 178.415 176.300 0.164 0.000 0.978 311 D CA 1.145 55.242 54.000 0.161 0.000 0.833 311 D CB 0.154 41.057 40.800 0.172 0.000 0.961 311 D HN 0.248 nan 8.370 nan 0.000 0.470 312 E N 0.516 120.785 120.200 0.115 0.000 2.023 312 E HA -0.240 4.118 4.350 0.013 0.000 0.196 312 E C 2.005 178.659 176.600 0.090 0.000 1.003 312 E CA 1.097 57.567 56.400 0.117 0.000 0.809 312 E CB -0.604 29.130 29.700 0.057 0.000 0.755 312 E HN 0.500 nan 8.360 nan 0.000 0.449 313 Q N -0.116 119.638 119.800 -0.076 0.000 2.096 313 Q HA -0.122 4.225 4.340 0.013 0.000 0.204 313 Q C 2.457 178.361 176.000 -0.160 0.000 0.982 313 Q CA 1.396 57.019 55.803 -0.300 0.000 0.850 313 Q CB -0.156 28.113 28.738 -0.782 0.000 0.901 313 Q HN 0.252 nan 8.270 nan 0.000 0.422 314 L N -0.256 121.017 121.223 0.084 0.000 2.083 314 L HA -0.169 4.178 4.340 0.013 0.000 0.209 314 L C 2.276 179.264 176.870 0.196 0.000 1.083 314 L CA 1.162 56.160 54.840 0.263 0.000 0.752 314 L CB -0.449 41.792 42.059 0.303 0.000 0.899 314 L HN 0.331 nan 8.230 nan 0.000 0.433 315 F N 0.265 120.269 119.950 0.089 0.000 2.098 315 F HA -0.178 4.356 4.527 0.013 0.000 0.294 315 F C 2.684 178.532 175.800 0.080 0.000 1.107 315 F CA 1.322 59.404 58.000 0.137 0.000 1.234 315 F CB -0.198 38.866 39.000 0.106 0.000 1.002 315 F HN -0.022 nan 8.300 nan 0.000 0.472 316 Q N 0.234 120.019 119.800 -0.025 0.000 2.084 316 Q HA -0.146 4.202 4.340 0.013 0.000 0.202 316 Q C 2.236 178.137 176.000 -0.166 0.000 0.978 316 Q CA 2.293 57.992 55.803 -0.173 0.000 0.844 316 Q CB -1.218 27.514 28.738 -0.011 0.000 0.898 316 Q HN 0.428 nan 8.270 nan 0.000 0.426 317 T N 1.071 115.583 114.554 -0.069 0.000 2.746 317 T HA -0.084 4.274 4.350 0.013 0.000 0.267 317 T C 2.176 176.930 174.700 0.090 0.000 1.039 317 T CA 1.413 63.543 62.100 0.049 0.000 1.142 317 T CB -0.168 68.803 68.868 0.172 0.000 0.866 317 T HN 0.220 nan 8.240 nan 0.000 0.444 318 S N 1.142 116.840 115.700 -0.002 0.000 2.359 318 S HA -0.158 4.320 4.470 0.013 0.000 0.224 318 S C 2.069 176.678 174.600 0.014 0.000 1.035 318 S CA 1.263 59.430 58.200 -0.055 0.000 1.018 318 S CB -0.314 62.656 63.200 -0.384 0.000 0.876 318 S HN 0.480 nan 8.310 nan 0.000 0.448 319 R N 1.085 121.497 120.500 -0.146 0.000 2.091 319 R HA -0.036 4.311 4.340 0.013 0.000 0.238 319 R C 2.104 178.446 176.300 0.070 0.000 1.136 319 R CA 1.188 57.200 56.100 -0.147 0.000 0.959 319 R CB -0.389 29.450 30.300 -0.768 0.000 0.856 319 R HN 0.370 nan 8.270 nan 0.000 0.437 320 L N 0.301 121.592 121.223 0.113 0.000 2.141 320 L HA -0.142 4.206 4.340 0.013 0.000 0.209 320 L C 2.386 179.525 176.870 0.448 0.000 1.094 320 L CA 1.019 56.043 54.840 0.307 0.000 0.763 320 L CB -0.278 41.979 42.059 0.329 0.000 0.908 320 L HN 0.267 nan 8.230 nan 0.000 0.437 321 I N -0.708 120.087 120.570 0.374 0.000 2.286 321 I HA -0.273 3.904 4.170 0.013 0.000 0.245 321 I C 2.305 178.569 176.117 0.244 0.000 1.104 321 I CA 0.936 62.398 61.300 0.271 0.000 1.397 321 I CB -0.089 38.047 38.000 0.228 0.000 1.072 321 I HN 0.148 nan 8.210 nan 0.000 0.417 322 L N 0.336 121.725 121.223 0.276 0.000 2.083 322 L HA -0.196 4.151 4.340 0.013 0.000 0.209 322 L C 2.312 179.320 176.870 0.230 0.000 1.083 322 L CA 1.834 56.869 54.840 0.325 0.000 0.752 322 L CB -0.538 41.749 42.059 0.380 0.000 0.899 322 L HN 0.165 nan 8.230 nan 0.000 0.433 323 I N -1.094 119.608 120.570 0.219 0.000 2.226 323 I HA -0.238 3.940 4.170 0.013 0.000 0.245 323 I C 2.478 178.712 176.117 0.194 0.000 1.100 323 I CA 1.353 62.765 61.300 0.188 0.000 1.374 323 I CB -0.879 37.249 38.000 0.213 0.000 1.057 323 I HN 0.343 nan 8.210 nan 0.000 0.413 324 G N 0.288 109.239 108.800 0.251 0.000 2.433 324 G HA2 -0.227 3.741 3.960 0.013 0.000 0.216 324 G HA3 -0.227 3.741 3.960 0.013 0.000 0.216 324 G C 1.500 176.486 174.900 0.144 0.000 1.186 324 G CA 0.565 45.817 45.100 0.253 0.000 0.779 324 G HN 0.389 nan 8.290 nan 0.000 0.543 325 E N -0.126 120.191 120.200 0.194 0.000 2.097 325 E HA -0.138 4.220 4.350 0.013 0.000 0.196 325 E C 2.758 179.510 176.600 0.252 0.000 1.000 325 E CA 1.534 58.074 56.400 0.233 0.000 0.804 325 E CB -0.263 29.653 29.700 0.359 0.000 0.740 325 E HN 0.364 nan 8.360 nan 0.000 0.454 326 T N 1.316 116.016 114.554 0.243 0.000 2.708 326 T HA -0.118 4.240 4.350 0.013 0.000 0.266 326 T C 2.011 176.719 174.700 0.014 0.000 1.037 326 T CA 0.948 63.160 62.100 0.188 0.000 1.146 326 T CB -0.171 68.726 68.868 0.048 0.000 0.865 326 T HN 0.114 nan 8.240 nan 0.000 0.435 327 I N 0.778 121.275 120.570 -0.121 0.000 2.315 327 I HA -0.144 4.033 4.170 0.013 0.000 0.248 327 I C 2.532 178.301 176.117 -0.581 0.000 1.117 327 I CA 1.033 62.114 61.300 -0.366 0.000 1.404 327 I CB -0.268 37.398 38.000 -0.558 0.000 1.071 327 I HN 0.128 nan 8.210 nan 0.000 0.419 328 K N 1.941 121.997 120.400 -0.575 0.000 2.009 328 K HA -0.160 4.168 4.320 0.013 0.000 0.210 328 K C 1.862 178.424 176.600 -0.063 0.000 1.049 328 K CA 1.885 58.007 56.287 -0.276 0.000 0.929 328 K CB -0.441 32.067 32.500 0.012 0.000 0.714 328 K HN 0.244 nan 8.250 nan 0.000 0.440 329 I N 0.073 120.645 120.570 0.003 0.000 2.286 329 I HA -0.234 3.943 4.170 0.013 0.000 0.248 329 I C 2.062 178.210 176.117 0.051 0.000 1.115 329 I CA 0.822 62.151 61.300 0.048 0.000 1.392 329 I CB -0.186 37.881 38.000 0.112 0.000 1.065 329 I HN -0.027 nan 8.210 nan 0.000 0.418 330 V N 1.154 121.052 119.914 -0.028 0.000 2.343 330 V HA -0.260 3.867 4.120 0.013 0.000 0.247 330 V C 2.252 178.429 176.094 0.137 0.000 1.051 330 V CA 1.847 64.111 62.300 -0.062 0.000 1.036 330 V CB -0.350 31.248 31.823 -0.374 0.000 0.654 330 V HN 0.330 nan 8.190 nan 0.000 0.451 331 I N -0.396 120.217 120.570 0.072 0.000 2.235 331 I HA -0.143 4.035 4.170 0.013 0.000 0.241 331 I C 2.374 178.567 176.117 0.127 0.000 1.085 331 I CA 1.489 62.864 61.300 0.125 0.000 1.378 331 I CB -0.311 37.759 38.000 0.117 0.000 1.076 331 I HN 0.303 nan 8.210 nan 0.000 0.415 332 E N 0.221 120.482 120.200 0.100 0.000 2.442 332 E HA -0.084 4.274 4.350 0.013 0.000 0.195 332 E C 0.937 177.590 176.600 0.088 0.000 1.030 332 E CA 0.483 56.928 56.400 0.076 0.000 0.869 332 E CB 0.286 30.022 29.700 0.060 0.000 0.857 332 E HN 0.500 nan 8.360 nan 0.000 0.505 333 D N -0.588 119.904 120.400 0.153 0.000 2.856 333 D HA -0.047 4.601 4.640 0.013 0.000 0.283 333 D C 1.512 178.102 176.300 0.483 0.000 1.051 333 D CA 0.308 54.447 54.000 0.231 0.000 0.965 333 D CB -0.159 40.716 40.800 0.125 0.000 1.201 333 D HN 0.075 nan 8.370 nan 0.000 0.474 334 Y N 2.372 122.867 120.300 0.326 0.000 2.138 334 Y HA -0.125 4.433 4.550 0.013 0.000 0.286 334 Y C 2.224 178.268 175.900 0.240 0.000 1.115 334 Y CA 1.312 59.538 58.100 0.209 0.000 1.105 334 Y CB -0.374 38.078 38.460 -0.012 0.000 1.004 334 Y HN -0.292 nan 8.280 nan 0.000 0.494 335 V N 0.932 121.055 119.914 0.349 0.000 2.490 335 V HA -0.292 3.835 4.120 0.013 0.000 0.250 335 V C 2.295 178.406 176.094 0.027 0.000 1.061 335 V CA 2.084 64.489 62.300 0.174 0.000 1.064 335 V CB -0.823 31.137 31.823 0.229 0.000 0.670 335 V HN 0.440 nan 8.190 nan 0.000 0.461 336 Q N 0.550 120.395 119.800 0.075 0.000 2.030 336 Q HA -0.270 4.077 4.340 0.013 0.000 0.204 336 Q C 2.157 178.131 176.000 -0.044 0.000 0.986 336 Q CA 2.620 58.428 55.803 0.008 0.000 0.843 336 Q CB -0.560 28.206 28.738 0.046 0.000 0.904 336 Q HN 0.849 nan 8.270 nan 0.000 0.420 337 H N -0.885 118.153 119.070 -0.054 0.000 2.321 337 H HA -0.092 4.472 4.556 0.013 0.000 0.300 337 H C 1.589 176.746 175.328 -0.285 0.000 1.087 337 H CA 1.758 57.726 56.048 -0.134 0.000 1.319 337 H CB -0.391 29.332 29.762 -0.065 0.000 1.379 337 H HN 0.339 nan 8.280 nan 0.000 0.501 338 L N 0.720 121.625 121.223 -0.530 0.000 2.056 338 L HA -0.107 4.240 4.340 0.013 0.000 0.207 338 L C 2.655 179.220 176.870 -0.508 0.000 1.078 338 L CA 1.959 56.417 54.840 -0.637 0.000 0.749 338 L CB -1.158 40.718 42.059 -0.304 0.000 0.901 338 L HN 0.594 nan 8.230 nan 0.000 0.433 339 S N -0.749 114.681 115.700 -0.450 0.000 2.419 339 S HA -0.035 4.443 4.470 0.013 0.000 0.233 339 S C 1.751 175.955 174.600 -0.660 0.000 1.016 339 S CA 0.794 58.575 58.200 -0.699 0.000 0.974 339 S CB -0.946 61.621 63.200 -1.054 0.000 0.786 339 S HN 0.707 nan 8.310 nan 0.000 0.492 340 G N -0.051 108.458 108.800 -0.484 0.000 2.168 340 G HA2 -0.264 3.704 3.960 0.013 0.000 0.257 340 G HA3 -0.264 3.704 3.960 0.013 0.000 0.257 340 G C -0.163 174.559 174.900 -0.296 0.000 0.997 340 G CA 0.540 45.422 45.100 -0.364 0.000 0.708 340 G HN 0.536 nan 8.290 nan 0.000 0.520 341 Y N -0.265 119.818 120.300 -0.362 0.000 2.309 341 Y HA 0.473 5.030 4.550 0.012 0.000 0.327 341 Y C 1.690 177.336 175.900 -0.423 0.000 1.172 341 Y CA -0.660 57.177 58.100 -0.438 0.000 1.280 341 Y CB 0.595 38.880 38.460 -0.291 0.000 1.234 341 Y HN 0.308 nan 8.280 nan 0.000 0.512 342 H N 1.191 120.131 119.070 -0.217 0.000 2.482 342 H HA -0.027 4.536 4.556 0.013 0.000 0.286 342 H C 0.177 175.363 175.328 -0.237 0.000 1.017 342 H CA -0.073 55.854 56.048 -0.202 0.000 1.322 342 H CB 0.158 29.848 29.762 -0.120 0.000 1.426 342 H HN 0.412 nan 8.280 nan 0.000 0.546 343 F N 3.060 122.621 119.950 -0.649 0.000 2.608 343 F HA 0.022 4.556 4.527 0.013 0.000 0.380 343 F C 0.499 176.221 175.800 -0.129 0.000 1.083 343 F CA -0.411 57.304 58.000 -0.475 0.000 1.266 343 F CB 0.396 38.894 39.000 -0.837 0.000 1.076 343 F HN -0.165 nan 8.300 nan 0.000 0.574 344 K N 8.025 127.941 120.400 -0.807 0.000 2.263 344 K HA 0.333 4.660 4.320 0.013 0.000 0.282 344 K C -0.676 175.378 176.600 -0.910 0.000 1.089 344 K CA -0.500 55.421 56.287 -0.611 0.000 0.907 344 K CB 0.284 32.604 32.500 -0.299 0.000 1.148 344 K HN 0.722 nan 8.250 nan 0.000 0.470 345 L N 3.212 124.120 121.223 -0.525 0.000 2.464 345 L HA 0.261 4.608 4.340 0.013 0.000 0.264 345 L C 0.172 176.959 176.870 -0.137 0.000 1.199 345 L CA 0.049 54.717 54.840 -0.286 0.000 0.818 345 L CB 0.397 42.434 42.059 -0.036 0.000 1.102 345 L HN 0.553 nan 8.230 nan 0.000 0.473 346 K N 1.188 121.579 120.400 -0.015 0.000 2.513 346 K HA 0.314 4.642 4.320 0.013 0.000 0.251 346 K C -1.469 175.201 176.600 0.117 0.000 0.939 346 K CA -0.665 55.643 56.287 0.035 0.000 0.793 346 K CB 1.429 33.932 32.500 0.006 0.000 1.241 346 K HN 0.301 nan 8.250 nan 0.000 0.431 347 F N 4.663 124.598 119.950 -0.025 0.000 2.405 347 F HA 0.339 4.873 4.527 0.013 0.000 0.358 347 F C -0.867 174.876 175.800 -0.096 0.000 1.151 347 F CA -0.498 57.472 58.000 -0.050 0.000 1.161 347 F CB 0.538 39.528 39.000 -0.017 0.000 1.245 347 F HN 0.516 nan 8.300 nan 0.000 0.545 348 D N 8.499 128.603 120.400 -0.492 0.000 2.337 348 D HA 0.302 4.949 4.640 0.013 0.000 0.238 348 D C -2.199 173.680 176.300 -0.702 0.000 1.331 348 D CA -1.919 51.719 54.000 -0.603 0.000 0.967 348 D CB 1.684 42.326 40.800 -0.263 0.000 1.382 348 D HN 0.159 nan 8.370 nan 0.000 0.549 349 P HA -0.170 nan 4.420 nan 0.000 0.217 349 P C 1.053 177.721 177.300 -1.052 0.000 1.151 349 P CA 1.080 63.629 63.100 -0.917 0.000 0.849 349 P CB 0.364 31.293 31.700 -1.284 0.000 0.787 350 E N -0.645 118.871 120.200 -1.139 0.000 2.187 350 E HA -0.190 4.167 4.350 0.013 0.000 0.199 350 E C 1.871 178.041 176.600 -0.716 0.000 1.004 350 E CA 0.855 56.507 56.400 -1.247 0.000 0.813 350 E CB -0.633 28.811 29.700 -0.426 0.000 0.736 350 E HN 0.326 nan 8.360 nan 0.000 0.468 351 L N 0.252 121.209 121.223 -0.444 0.000 2.265 351 L HA -0.178 4.170 4.340 0.013 0.000 0.215 351 L C 2.149 178.927 176.870 -0.152 0.000 1.117 351 L CA 0.777 55.490 54.840 -0.212 0.000 0.782 351 L CB -0.189 41.782 42.059 -0.146 0.000 0.914 351 L HN 0.177 nan 8.230 nan 0.000 0.441 352 L N -2.245 118.861 121.223 -0.195 0.000 2.554 352 L HA 0.044 4.392 4.340 0.013 0.000 0.225 352 L C 2.114 179.132 176.870 0.247 0.000 1.104 352 L CA 0.057 54.882 54.840 -0.026 0.000 0.866 352 L CB -0.171 41.787 42.059 -0.169 0.000 1.047 352 L HN 0.160 nan 8.230 nan 0.000 0.468 353 F N 1.755 121.770 119.950 0.108 0.000 2.250 353 F HA -0.216 4.319 4.527 0.013 0.000 0.301 353 F C 1.754 177.630 175.800 0.126 0.000 1.077 353 F CA 0.794 58.883 58.000 0.149 0.000 1.348 353 F CB -0.178 38.900 39.000 0.130 0.000 1.040 353 F HN 0.449 nan 8.300 nan 0.000 0.509 354 N N -0.864 118.001 118.700 0.275 0.000 2.214 354 N HA 0.071 4.818 4.740 0.013 0.000 0.214 354 N C -0.213 175.384 175.510 0.145 0.000 1.132 354 N CA -0.029 53.131 53.050 0.183 0.000 0.856 354 N CB 0.042 38.616 38.487 0.145 0.000 1.020 354 N HN 0.150 nan 8.380 nan 0.000 0.509 355 Q N 0.213 120.108 119.800 0.159 0.000 2.359 355 Q HA 0.407 4.754 4.340 0.013 0.000 0.275 355 Q C -0.957 175.135 176.000 0.153 0.000 1.082 355 Q CA -0.552 55.329 55.803 0.130 0.000 0.849 355 Q CB 1.544 30.344 28.738 0.102 0.000 1.377 355 Q HN 0.239 nan 8.270 nan 0.000 0.452 356 Q N 1.049 120.928 119.800 0.132 0.000 2.279 356 Q HA 0.548 4.895 4.340 0.013 0.000 0.256 356 Q C -1.281 174.835 176.000 0.193 0.000 0.937 356 Q CA -0.028 55.851 55.803 0.127 0.000 0.933 356 Q CB 0.792 29.575 28.738 0.076 0.000 1.189 356 Q HN 0.483 nan 8.270 nan 0.000 0.417 357 F N 1.346 121.249 119.950 -0.079 0.000 2.652 357 F HA 0.115 4.649 4.527 0.012 0.000 0.320 357 F C -1.582 174.025 175.800 -0.321 0.000 1.115 357 F CA -0.801 57.080 58.000 -0.199 0.000 1.053 357 F CB 1.492 40.329 39.000 -0.272 0.000 1.297 357 F HN 0.313 nan 8.300 nan 0.000 0.471 358 Q N 5.620 124.877 119.800 -0.904 0.000 2.322 358 Q HA 0.196 4.543 4.340 0.013 0.000 0.256 358 Q C -1.141 174.396 176.000 -0.772 0.000 0.960 358 Q CA -0.170 55.261 55.803 -0.620 0.000 0.934 358 Q CB 0.904 29.399 28.738 -0.406 0.000 1.200 358 Q HN 0.682 nan 8.270 nan 0.000 0.435 359 Y N 3.172 123.407 120.300 -0.107 0.000 2.623 359 Y HA 0.047 4.604 4.550 0.013 0.000 0.341 359 Y C 0.741 176.629 175.900 -0.020 0.000 1.292 359 Y CA -0.129 57.992 58.100 0.035 0.000 1.840 359 Y CB 0.128 38.676 38.460 0.147 0.000 1.865 359 Y HN 0.421 nan 8.280 nan 0.000 0.440 360 Q N 0.034 119.822 119.800 -0.019 0.000 2.633 360 Q HA 0.545 4.892 4.340 0.013 0.000 0.289 360 Q C -2.004 173.965 176.000 -0.052 0.000 0.940 360 Q CA -1.304 54.493 55.803 -0.010 0.000 0.785 360 Q CB 2.146 30.870 28.738 -0.024 0.000 1.467 360 Q HN 0.290 nan 8.270 nan 0.000 0.401 361 N N -0.400 118.280 118.700 -0.033 0.000 2.405 361 N HA 0.571 5.319 4.740 0.013 0.000 0.274 361 N C -2.204 173.271 175.510 -0.058 0.000 1.170 361 N CA -0.530 52.498 53.050 -0.036 0.000 0.848 361 N CB 2.452 40.937 38.487 -0.003 0.000 1.629 361 N HN 0.620 nan 8.380 nan 0.000 0.481 362 R N 2.736 123.197 120.500 -0.064 0.000 2.532 362 R HA 0.535 4.883 4.340 0.013 0.000 0.297 362 R C -1.008 175.356 176.300 0.106 0.000 0.984 362 R CA -0.570 55.447 56.100 -0.137 0.000 0.884 362 R CB 0.618 30.761 30.300 -0.262 0.000 1.182 362 R HN 0.530 nan 8.270 nan 0.000 0.442 363 I N 3.740 124.556 120.570 0.410 0.000 2.533 363 I HA 0.242 4.419 4.170 0.013 0.000 0.284 363 I C 0.576 176.905 176.117 0.354 0.000 1.109 363 I CA -0.086 61.436 61.300 0.370 0.000 1.412 363 I CB 0.681 38.939 38.000 0.429 0.000 1.396 363 I HN 0.736 nan 8.210 nan 0.000 0.543 364 A N 4.788 127.702 122.820 0.156 0.000 2.340 364 A HA 0.267 4.595 4.320 0.013 0.000 0.268 364 A C 1.287 178.809 177.584 -0.103 0.000 1.100 364 A CA -0.165 51.876 52.037 0.008 0.000 0.803 364 A CB 0.747 19.596 19.000 -0.252 0.000 1.043 364 A HN 0.798 nan 8.150 nan 0.000 0.488 365 S N 0.611 116.253 115.700 -0.096 0.000 2.383 365 S HA -0.168 4.309 4.470 0.013 0.000 0.229 365 S C 1.589 176.059 174.600 -0.218 0.000 1.030 365 S CA 2.290 60.342 58.200 -0.247 0.000 1.002 365 S CB -0.352 62.848 63.200 -0.001 0.000 0.829 365 S HN 0.779 nan 8.310 nan 0.000 0.467 366 E N 0.113 120.186 120.200 -0.212 0.000 2.150 366 E HA -0.003 4.355 4.350 0.013 0.000 0.193 366 E C 1.550 178.001 176.600 -0.249 0.000 0.985 366 E CA 0.782 57.044 56.400 -0.229 0.000 0.814 366 E CB -0.314 29.224 29.700 -0.270 0.000 0.752 366 E HN 0.559 nan 8.360 nan 0.000 0.466 367 F N 2.038 121.557 119.950 -0.719 0.000 2.134 367 F HA -0.164 4.370 4.527 0.012 0.000 0.299 367 F C 1.960 177.521 175.800 -0.398 0.000 1.097 367 F CA 1.223 58.883 58.000 -0.566 0.000 1.264 367 F CB -0.441 38.132 39.000 -0.712 0.000 1.001 367 F HN 0.029 nan 8.300 nan 0.000 0.479 368 N N -0.031 118.213 118.700 -0.759 0.000 2.069 368 N HA -0.176 4.572 4.740 0.013 0.000 0.191 368 N C 1.682 176.808 175.510 -0.640 0.000 1.031 368 N CA 2.252 54.419 53.050 -1.473 0.000 0.852 368 N CB -0.478 37.282 38.487 -1.212 0.000 1.018 368 N HN 0.303 nan 8.380 nan 0.000 0.423 369 T N 1.962 116.301 114.554 -0.358 0.000 2.708 369 T HA -0.125 4.233 4.350 0.013 0.000 0.266 369 T C 1.991 176.677 174.700 -0.022 0.000 1.037 369 T CA 1.545 63.509 62.100 -0.227 0.000 1.146 369 T CB -0.330 68.458 68.868 -0.133 0.000 0.865 369 T HN 0.426 nan 8.240 nan 0.000 0.435 370 L N -1.237 119.977 121.223 -0.014 0.000 2.201 370 L HA 0.141 4.488 4.340 0.013 0.000 0.212 370 L C 1.994 178.894 176.870 0.051 0.000 1.105 370 L CA 1.478 56.366 54.840 0.080 0.000 0.775 370 L CB -1.091 41.015 42.059 0.079 0.000 0.913 370 L HN 0.145 nan 8.230 nan 0.000 0.440 371 Y N 0.183 120.295 120.300 -0.313 0.000 2.502 371 Y HA 0.092 4.650 4.550 0.013 0.000 0.295 371 Y C 0.815 176.290 175.900 -0.708 0.000 1.193 371 Y CA -0.127 57.477 58.100 -0.827 0.000 1.295 371 Y CB -0.212 37.775 38.460 -0.789 0.000 1.059 371 Y HN 0.284 nan 8.280 nan 0.000 0.514 372 H N 0.090 119.048 119.070 -0.187 0.000 3.392 372 H HA -0.089 4.475 4.556 0.013 0.000 0.253 372 H C -0.531 174.880 175.328 0.139 0.000 1.682 372 H CA -0.125 55.875 56.048 -0.080 0.000 1.535 372 H CB -0.364 29.461 29.762 0.105 0.000 1.823 372 H HN 0.407 nan 8.280 nan 0.000 0.576 373 W N 1.746 123.012 121.300 -0.057 0.000 2.960 373 W HA 0.127 4.795 4.660 0.013 0.000 0.442 373 W C 0.744 177.273 176.519 0.016 0.000 0.774 373 W CA -0.974 56.403 57.345 0.054 0.000 2.207 373 W CB -1.151 28.407 29.460 0.163 0.000 1.159 373 W HN 0.660 nan 8.180 nan 0.000 0.845 374 H N 0.329 119.637 119.070 0.396 0.000 2.489 374 H HA -0.093 4.470 4.556 0.012 0.000 0.293 374 H C -0.576 174.903 175.328 0.251 0.000 1.066 374 H CA 1.165 57.392 56.048 0.298 0.000 1.305 374 H CB -1.060 28.864 29.762 0.270 0.000 1.386 374 H HN 0.002 nan 8.280 nan 0.000 0.551 375 P HA -0.142 nan 4.420 nan 0.000 0.223 375 P C 1.032 178.432 177.300 0.167 0.000 1.144 375 P CA 1.018 64.234 63.100 0.194 0.000 0.783 375 P CB 0.001 31.769 31.700 0.114 0.000 0.771 376 L N -1.820 119.522 121.223 0.198 0.000 2.127 376 L HA -0.126 4.221 4.340 0.013 0.000 0.211 376 L C 1.195 178.166 176.870 0.169 0.000 1.089 376 L CA 0.617 55.560 54.840 0.173 0.000 0.757 376 L CB -0.870 41.321 42.059 0.220 0.000 0.899 376 L HN -0.000 nan 8.230 nan 0.000 0.434 377 L N 1.406 122.748 121.223 0.199 0.000 2.453 377 L HA 0.125 4.472 4.340 0.013 0.000 0.272 377 L C -1.806 175.131 176.870 0.112 0.000 1.182 377 L CA -1.563 53.360 54.840 0.138 0.000 0.858 377 L CB -0.028 42.244 42.059 0.355 0.000 1.120 377 L HN -0.107 nan 8.230 nan 0.000 0.474 378 P HA 0.115 nan 4.420 nan 0.000 0.282 378 P C -0.447 176.680 177.300 -0.288 0.000 1.287 378 P CA -0.442 62.445 63.100 -0.355 0.000 0.792 378 P CB 1.064 32.384 31.700 -0.633 0.000 1.163 379 D N -1.323 118.903 120.400 -0.291 0.000 2.234 379 D HA -0.006 4.642 4.640 0.013 0.000 0.205 379 D C 0.774 177.012 176.300 -0.103 0.000 0.962 379 D CA 1.514 55.474 54.000 -0.067 0.000 0.855 379 D CB 0.055 40.814 40.800 -0.068 0.000 0.951 379 D HN 0.516 nan 8.370 nan 0.000 0.500 380 T N -2.093 112.252 114.554 -0.349 0.000 2.916 380 T HA 0.551 4.908 4.350 0.013 0.000 0.305 380 T C -0.844 173.532 174.700 -0.540 0.000 1.119 380 T CA -0.905 61.012 62.100 -0.305 0.000 1.008 380 T CB 1.340 70.125 68.868 -0.139 0.000 1.129 380 T HN -0.235 nan 8.240 nan 0.000 0.480 381 F N 2.204 121.974 119.950 -0.301 0.000 2.385 381 F HA 0.490 5.024 4.527 0.013 0.000 0.360 381 F C 0.351 176.052 175.800 -0.165 0.000 1.122 381 F CA -1.015 56.762 58.000 -0.371 0.000 1.090 381 F CB 1.051 39.453 39.000 -0.997 0.000 1.150 381 F HN 0.453 nan 8.300 nan 0.000 0.472 382 N N 5.103 123.815 118.700 0.021 0.000 2.485 382 N HA 0.479 5.227 4.740 0.013 0.000 0.243 382 N C -0.864 174.619 175.510 -0.046 0.000 0.987 382 N CA -0.223 52.806 53.050 -0.035 0.000 0.940 382 N CB 1.228 39.672 38.487 -0.071 0.000 1.122 382 N HN 0.488 nan 8.380 nan 0.000 0.509 383 I N 0.931 121.419 120.570 -0.136 0.000 2.418 383 I HA 0.183 4.361 4.170 0.013 0.000 0.287 383 I C 0.944 176.834 176.117 -0.379 0.000 1.008 383 I CA -0.496 60.591 61.300 -0.356 0.000 1.104 383 I CB 1.467 39.102 38.000 -0.607 0.000 1.264 383 I HN 0.565 nan 8.210 nan 0.000 0.438 384 E N 3.474 123.510 120.200 -0.273 0.000 3.304 384 E HA -0.308 4.050 4.350 0.013 0.000 0.365 384 E C -0.071 176.477 176.600 -0.087 0.000 1.512 384 E CA 2.128 58.449 56.400 -0.131 0.000 1.642 384 E CB -0.388 29.282 29.700 -0.051 0.000 1.738 384 E HN 0.766 nan 8.360 nan 0.000 0.483 385 D N 0.669 121.047 120.400 -0.037 0.000 2.363 385 D HA 0.050 4.697 4.640 0.013 0.000 0.214 385 D C -0.265 175.982 176.300 -0.088 0.000 1.093 385 D CA 0.358 54.331 54.000 -0.045 0.000 0.837 385 D CB 0.232 41.025 40.800 -0.011 0.000 0.948 385 D HN 0.122 nan 8.370 nan 0.000 0.507 386 Q N 0.631 120.343 119.800 -0.148 0.000 2.245 386 Q HA 0.347 4.694 4.340 0.013 0.000 0.256 386 Q C -0.249 175.506 176.000 -0.409 0.000 0.942 386 Q CA -0.094 55.509 55.803 -0.335 0.000 0.896 386 Q CB 2.076 30.500 28.738 -0.525 0.000 1.272 386 Q HN 0.098 nan 8.270 nan 0.000 0.442 387 E N 2.227 122.196 120.200 -0.385 0.000 2.101 387 E HA 0.243 4.601 4.350 0.013 0.000 0.260 387 E C -1.189 175.272 176.600 -0.231 0.000 0.897 387 E CA -0.318 55.932 56.400 -0.250 0.000 0.744 387 E CB 0.715 30.331 29.700 -0.141 0.000 1.140 387 E HN 0.362 nan 8.360 nan 0.000 0.419 388 Y N 1.427 121.766 120.300 0.065 0.000 2.327 388 Y HA 0.094 4.651 4.550 0.012 0.000 0.336 388 Y C 1.166 177.161 175.900 0.158 0.000 1.035 388 Y CA -0.719 57.467 58.100 0.144 0.000 1.165 388 Y CB 0.937 39.543 38.460 0.244 0.000 1.181 388 Y HN 0.367 nan 8.280 nan 0.000 0.494 389 S N 1.666 117.563 115.700 0.328 0.000 2.606 389 S HA 0.081 4.559 4.470 0.013 0.000 0.257 389 S C 0.932 175.802 174.600 0.449 0.000 1.327 389 S CA -0.447 57.952 58.200 0.332 0.000 0.984 389 S CB 0.340 63.706 63.200 0.276 0.000 0.941 389 S HN 0.551 nan 8.310 nan 0.000 0.576 390 F N 1.043 121.196 119.950 0.339 0.000 2.069 390 F HA -0.034 4.501 4.527 0.013 0.000 0.298 390 F C 2.704 178.661 175.800 0.261 0.000 1.113 390 F CA 1.900 60.126 58.000 0.376 0.000 1.214 390 F CB -0.438 38.733 39.000 0.285 0.000 0.978 390 F HN 0.597 nan 8.300 nan 0.000 0.474 391 K N 0.503 121.149 120.400 0.410 0.000 2.044 391 K HA -0.255 4.072 4.320 0.013 0.000 0.210 391 K C 1.984 178.737 176.600 0.255 0.000 1.049 391 K CA 2.007 58.466 56.287 0.286 0.000 0.927 391 K CB -0.473 32.168 32.500 0.235 0.000 0.713 391 K HN 0.412 nan 8.250 nan 0.000 0.443 392 Q N -1.335 118.636 119.800 0.285 0.000 2.224 392 Q HA -0.133 4.214 4.340 0.013 0.000 0.203 392 Q C 1.882 178.011 176.000 0.216 0.000 0.970 392 Q CA 1.202 57.172 55.803 0.278 0.000 0.865 392 Q CB -0.058 28.916 28.738 0.394 0.000 0.922 392 Q HN 0.229 nan 8.270 nan 0.000 0.445 393 F N 0.576 120.535 119.950 0.014 0.000 2.317 393 F HA 0.121 4.656 4.527 0.013 0.000 0.293 393 F C 0.638 176.305 175.800 -0.223 0.000 1.085 393 F CA 0.086 57.976 58.000 -0.184 0.000 1.390 393 F CB 0.327 39.124 39.000 -0.337 0.000 1.077 393 F HN -0.132 nan 8.300 nan 0.000 0.517 394 L N 1.378 122.511 121.223 -0.149 0.000 2.490 394 L HA -0.055 4.293 4.340 0.013 0.000 0.274 394 L C 0.039 176.629 176.870 -0.467 0.000 1.201 394 L CA -0.387 54.149 54.840 -0.506 0.000 0.869 394 L CB -0.433 41.170 42.059 -0.759 0.000 1.123 394 L HN 0.383 nan 8.230 nan 0.000 0.484 395 Y N 1.134 121.422 120.300 -0.020 0.000 3.054 395 Y HA -0.284 4.274 4.550 0.013 0.000 0.210 395 Y C 0.238 176.137 175.900 -0.002 0.000 1.212 395 Y CA 0.054 58.177 58.100 0.037 0.000 1.118 395 Y CB -2.128 36.391 38.460 0.098 0.000 1.292 395 Y HN 0.629 nan 8.280 nan 0.000 0.533 396 N N 1.257 119.933 118.700 -0.040 0.000 2.762 396 N HA 0.218 4.966 4.740 0.013 0.000 0.252 396 N C 0.216 175.643 175.510 -0.138 0.000 1.269 396 N CA -0.452 52.555 53.050 -0.072 0.000 0.799 396 N CB 0.259 38.683 38.487 -0.105 0.000 1.173 396 N HN 0.301 nan 8.380 nan 0.000 0.516 397 N N 0.010 118.674 118.700 -0.060 0.000 2.494 397 N HA -0.042 4.705 4.740 0.013 0.000 0.182 397 N C 1.130 176.607 175.510 -0.055 0.000 1.076 397 N CA 0.408 53.440 53.050 -0.029 0.000 0.908 397 N CB 0.291 38.873 38.487 0.159 0.000 0.967 397 N HN 0.362 nan 8.380 nan 0.000 0.449 398 S N 1.447 117.102 115.700 -0.075 0.000 2.374 398 S HA -0.090 4.388 4.470 0.013 0.000 0.227 398 S C 2.035 176.600 174.600 -0.059 0.000 1.037 398 S CA 0.756 58.912 58.200 -0.073 0.000 1.024 398 S CB -0.236 62.932 63.200 -0.055 0.000 0.861 398 S HN 0.339 nan 8.310 nan 0.000 0.456 399 I N 0.849 121.384 120.570 -0.059 0.000 2.208 399 I HA -0.197 3.981 4.170 0.013 0.000 0.245 399 I C 2.354 178.597 176.117 0.209 0.000 1.097 399 I CA 0.961 62.284 61.300 0.039 0.000 1.363 399 I CB -0.351 37.587 38.000 -0.102 0.000 1.051 399 I HN 0.231 nan 8.210 nan 0.000 0.413 400 L N 0.551 121.768 121.223 -0.009 0.000 2.072 400 L HA -0.113 4.235 4.340 0.013 0.000 0.205 400 L C 2.238 179.027 176.870 -0.134 0.000 1.079 400 L CA 1.736 56.409 54.840 -0.278 0.000 0.752 400 L CB -0.352 41.409 42.059 -0.497 0.000 0.906 400 L HN 0.117 nan 8.230 nan 0.000 0.436 401 L N -0.579 120.557 121.223 -0.146 0.000 2.217 401 L HA -0.148 4.200 4.340 0.013 0.000 0.211 401 L C 2.465 179.297 176.870 -0.062 0.000 1.107 401 L CA 1.388 56.124 54.840 -0.173 0.000 0.783 401 L CB -0.532 41.396 42.059 -0.219 0.000 0.919 401 L HN 0.469 nan 8.230 nan 0.000 0.442 402 E N -0.553 119.612 120.200 -0.059 0.000 2.051 402 E HA -0.199 4.158 4.350 0.013 0.000 0.189 402 E C 2.139 178.674 176.600 -0.107 0.000 0.979 402 E CA 1.041 57.371 56.400 -0.117 0.000 0.803 402 E CB 0.021 29.596 29.700 -0.209 0.000 0.761 402 E HN 0.454 nan 8.360 nan 0.000 0.451 403 H N 0.025 119.179 119.070 0.140 0.000 2.399 403 H HA 0.233 4.796 4.556 0.013 0.000 0.300 403 H C 1.103 176.515 175.328 0.140 0.000 1.048 403 H CA 1.217 57.366 56.048 0.168 0.000 1.370 403 H CB 0.361 30.284 29.762 0.268 0.000 1.428 403 H HN 0.352 nan 8.280 nan 0.000 0.534 404 G N 0.439 109.381 108.800 0.236 0.000 2.699 404 G HA2 -0.198 3.770 3.960 0.013 0.000 0.686 404 G HA3 -0.198 3.770 3.960 0.013 0.000 0.686 404 G C 0.498 175.445 174.900 0.080 0.000 1.301 404 G CA -0.172 45.010 45.100 0.137 0.000 0.816 404 G HN 0.172 nan 8.290 nan 0.000 0.595 405 L N 0.770 121.969 121.223 -0.040 0.000 2.046 405 L HA -0.077 4.271 4.340 0.013 0.000 0.208 405 L C 3.207 180.057 176.870 -0.034 0.000 1.077 405 L CA 3.032 57.803 54.840 -0.115 0.000 0.747 405 L CB -1.705 40.227 42.059 -0.213 0.000 0.896 405 L HN 0.867 nan 8.230 nan 0.000 0.432 406 T N -0.980 113.562 114.554 -0.020 0.000 2.684 406 T HA -0.267 4.090 4.350 0.013 0.000 0.267 406 T C 1.814 176.525 174.700 0.018 0.000 1.036 406 T CA 1.598 63.693 62.100 -0.009 0.000 1.148 406 T CB -0.115 68.750 68.868 -0.005 0.000 0.863 406 T HN 0.163 nan 8.240 nan 0.000 0.436 407 Q N 0.020 119.855 119.800 0.058 0.000 2.119 407 Q HA 0.016 4.363 4.340 0.013 0.000 0.201 407 Q C 1.821 177.795 176.000 -0.043 0.000 0.972 407 Q CA 1.334 57.160 55.803 0.038 0.000 0.847 407 Q CB -0.645 28.153 28.738 0.100 0.000 0.903 407 Q HN 0.498 nan 8.270 nan 0.000 0.433 408 F N -0.969 118.841 119.950 -0.235 0.000 2.095 408 F HA -0.216 4.319 4.527 0.013 0.000 0.298 408 F C 2.141 177.693 175.800 -0.414 0.000 1.104 408 F CA 1.270 58.981 58.000 -0.481 0.000 1.232 408 F CB -0.537 38.179 39.000 -0.473 0.000 0.987 408 F HN -0.054 nan 8.300 nan 0.000 0.475 409 V N -0.335 119.561 119.914 -0.031 0.000 2.307 409 V HA -0.269 3.858 4.120 0.013 0.000 0.245 409 V C 2.151 178.263 176.094 0.031 0.000 1.045 409 V CA 2.038 64.340 62.300 0.004 0.000 1.024 409 V CB -0.712 31.093 31.823 -0.030 0.000 0.651 409 V HN 0.294 nan 8.190 nan 0.000 0.449 410 E N 0.302 120.506 120.200 0.007 0.000 2.058 410 E HA -0.201 4.157 4.350 0.013 0.000 0.194 410 E C 2.428 179.046 176.600 0.031 0.000 0.997 410 E CA 1.781 58.201 56.400 0.033 0.000 0.801 410 E CB -0.224 29.487 29.700 0.018 0.000 0.746 410 E HN 0.530 nan 8.360 nan 0.000 0.450 411 S N 0.305 115.976 115.700 -0.050 0.000 2.345 411 S HA -0.086 4.392 4.470 0.013 0.000 0.220 411 S C 1.634 176.321 174.600 0.145 0.000 1.031 411 S CA 0.755 58.926 58.200 -0.048 0.000 0.996 411 S CB -0.223 62.827 63.200 -0.251 0.000 0.882 411 S HN 0.178 nan 8.310 nan 0.000 0.445 412 F N 2.340 122.296 119.950 0.011 0.000 2.333 412 F HA -0.030 4.505 4.527 0.013 0.000 0.300 412 F C 2.641 178.518 175.800 0.128 0.000 1.083 412 F CA 0.540 58.603 58.000 0.105 0.000 1.395 412 F CB -1.754 37.364 39.000 0.195 0.000 1.056 412 F HN 0.170 nan 8.300 nan 0.000 0.529 413 T N -0.640 114.085 114.554 0.285 0.000 2.904 413 T HA -0.110 4.248 4.350 0.013 0.000 0.267 413 T C 2.126 176.931 174.700 0.175 0.000 1.059 413 T CA 0.945 63.169 62.100 0.206 0.000 1.137 413 T CB -0.055 68.911 68.868 0.163 0.000 0.879 413 T HN 0.211 nan 8.240 nan 0.000 0.467 414 R N 0.593 121.183 120.500 0.150 0.000 2.210 414 R HA 0.159 4.507 4.340 0.013 0.000 0.203 414 R C 1.245 177.597 176.300 0.087 0.000 1.010 414 R CA 0.196 56.357 56.100 0.103 0.000 1.008 414 R CB 0.174 30.515 30.300 0.068 0.000 0.923 414 R HN 0.390 nan 8.270 nan 0.000 0.469 415 Q N 1.629 121.496 119.800 0.111 0.000 2.296 415 Q HA 0.234 4.582 4.340 0.013 0.000 0.257 415 Q C -0.711 175.330 176.000 0.068 0.000 0.942 415 Q CA -0.248 55.594 55.803 0.066 0.000 0.939 415 Q CB 1.071 29.844 28.738 0.060 0.000 1.198 415 Q HN 0.148 nan 8.270 nan 0.000 0.429 416 I N 2.959 123.569 120.570 0.066 0.000 2.638 416 I HA 0.329 4.506 4.170 0.013 0.000 0.286 416 I C -0.231 175.990 176.117 0.173 0.000 1.088 416 I CA -0.058 61.309 61.300 0.110 0.000 1.397 416 I CB 0.906 38.985 38.000 0.132 0.000 1.414 416 I HN 0.841 nan 8.210 nan 0.000 0.566 417 A N 5.104 128.022 122.820 0.164 0.000 2.248 417 A HA 0.711 5.039 4.320 0.013 0.000 0.316 417 A C 0.120 177.817 177.584 0.188 0.000 1.101 417 A CA -0.189 51.964 52.037 0.193 0.000 0.875 417 A CB 0.617 19.695 19.000 0.130 0.000 1.207 417 A HN 0.833 nan 8.150 nan 0.000 0.504 418 G N -0.477 108.403 108.800 0.133 0.000 2.476 418 G HA2 0.466 4.434 3.960 0.013 0.000 0.269 418 G HA3 0.466 4.434 3.960 0.013 0.000 0.269 418 G C 0.163 174.942 174.900 -0.201 0.000 1.195 418 G CA -0.572 44.404 45.100 -0.205 0.000 0.843 418 G HN 0.858 nan 8.290 nan 0.000 0.545 419 R N 0.806 121.129 120.500 -0.295 0.000 2.590 419 R HA 0.211 4.558 4.340 0.013 0.000 0.274 419 R C 0.743 176.938 176.300 -0.174 0.000 1.061 419 R CA -0.423 55.526 56.100 -0.252 0.000 1.081 419 R CB 0.807 30.959 30.300 -0.248 0.000 0.984 419 R HN 0.258 nan 8.270 nan 0.000 0.448 420 V N 3.383 123.194 119.914 -0.173 0.000 2.521 420 V HA 0.106 4.234 4.120 0.013 0.000 0.239 420 V C 1.025 177.104 176.094 -0.025 0.000 1.053 420 V CA 1.370 63.635 62.300 -0.059 0.000 1.073 420 V CB -0.351 31.448 31.823 -0.040 0.000 0.746 420 V HN 0.917 nan 8.190 nan 0.000 0.476 421 A N -0.426 122.382 122.820 -0.020 0.000 2.251 421 A HA 0.519 4.846 4.320 0.013 0.000 0.278 421 A C 1.590 179.134 177.584 -0.067 0.000 1.206 421 A CA 0.634 52.655 52.037 -0.027 0.000 0.822 421 A CB -0.385 18.616 19.000 0.001 0.000 1.187 421 A HN 1.378 nan 8.150 nan 0.000 0.504 422 G N -2.185 106.576 108.800 -0.065 0.000 2.234 422 G HA2 0.349 4.317 3.960 0.013 0.000 0.235 422 G HA3 0.349 4.317 3.960 0.013 0.000 0.235 422 G C 1.627 176.487 174.900 -0.067 0.000 0.997 422 G CA 0.670 45.727 45.100 -0.072 0.000 0.623 422 G HN 3.084 nan 8.290 nan 0.000 0.514 423 G N -0.743 108.019 108.800 -0.064 0.000 2.699 423 G HA2 0.346 4.313 3.960 0.013 0.000 0.686 423 G HA3 0.346 4.313 3.960 0.013 0.000 0.686 423 G C 0.226 175.097 174.900 -0.049 0.000 1.301 423 G CA 0.324 45.391 45.100 -0.055 0.000 0.816 423 G HN 1.641 nan 8.290 nan 0.000 0.595 424 R N -0.995 119.485 120.500 -0.034 0.000 3.333 424 R HA -0.223 4.125 4.340 0.013 0.000 0.256 424 R C 0.488 176.775 176.300 -0.022 0.000 1.010 424 R CA 1.102 57.189 56.100 -0.022 0.000 0.680 424 R CB -1.283 29.002 30.300 -0.024 0.000 1.102 424 R HN 0.678 nan 8.270 nan 0.000 0.440 425 N N -0.642 118.049 118.700 -0.014 0.000 2.232 425 N HA 0.106 4.853 4.740 0.013 0.000 0.240 425 N C -0.853 174.688 175.510 0.051 0.000 1.307 425 N CA -0.047 52.998 53.050 -0.008 0.000 0.859 425 N CB 1.157 39.602 38.487 -0.070 0.000 1.260 425 N HN 0.051 nan 8.380 nan 0.000 0.501 426 V N 2.835 122.789 119.914 0.067 0.000 2.455 426 V HA 0.329 4.457 4.120 0.013 0.000 0.273 426 V C -1.995 174.150 176.094 0.084 0.000 1.045 426 V CA -1.368 60.998 62.300 0.111 0.000 0.976 426 V CB 0.902 32.795 31.823 0.117 0.000 0.993 426 V HN 0.129 nan 8.190 nan 0.000 0.475 427 P HA 0.192 nan 4.420 nan 0.000 0.268 427 P C 0.973 178.239 177.300 -0.055 0.000 1.205 427 P CA 0.050 63.169 63.100 0.031 0.000 0.771 427 P CB 0.679 32.403 31.700 0.040 0.000 0.858 428 I N 1.841 122.369 120.570 -0.070 0.000 2.493 428 I HA -0.223 3.955 4.170 0.013 0.000 0.254 428 I C 2.104 178.133 176.117 -0.147 0.000 1.160 428 I CA 1.319 62.574 61.300 -0.075 0.000 1.445 428 I CB -0.475 37.499 38.000 -0.043 0.000 1.086 428 I HN 0.373 nan 8.210 nan 0.000 0.433 429 A N -0.220 122.419 122.820 -0.303 0.000 2.125 429 A HA -0.091 4.237 4.320 0.013 0.000 0.219 429 A C 1.972 179.353 177.584 -0.338 0.000 1.156 429 A CA 1.222 53.001 52.037 -0.431 0.000 0.671 429 A CB -0.261 18.138 19.000 -1.001 0.000 0.794 429 A HN 0.297 nan 8.150 nan 0.000 0.459 430 V N 0.528 120.284 119.914 -0.263 0.000 2.988 430 V HA 0.028 4.156 4.120 0.013 0.000 0.356 430 V C 1.712 177.753 176.094 -0.088 0.000 1.380 430 V CA 0.592 62.795 62.300 -0.162 0.000 1.184 430 V CB -0.162 31.563 31.823 -0.164 0.000 1.204 430 V HN 0.859 nan 8.190 nan 0.000 0.530 431 Q N 0.528 120.292 119.800 -0.060 0.000 2.170 431 Q HA -0.120 4.228 4.340 0.013 0.000 0.203 431 Q C 1.926 177.923 176.000 -0.005 0.000 0.976 431 Q CA 2.044 57.839 55.803 -0.014 0.000 0.858 431 Q CB -0.386 28.346 28.738 -0.010 0.000 0.907 431 Q HN 0.563 nan 8.270 nan 0.000 0.433 432 A N 1.022 123.829 122.820 -0.020 0.000 1.969 432 A HA -0.056 4.272 4.320 0.013 0.000 0.218 432 A C 2.293 179.866 177.584 -0.018 0.000 1.169 432 A CA 1.284 53.313 52.037 -0.014 0.000 0.635 432 A CB -0.536 18.456 19.000 -0.014 0.000 0.810 432 A HN 0.261 nan 8.150 nan 0.000 0.445 433 V N -0.252 119.642 119.914 -0.033 0.000 2.358 433 V HA -0.202 3.925 4.120 0.013 0.000 0.246 433 V C 3.000 179.102 176.094 0.013 0.000 1.047 433 V CA 1.811 64.093 62.300 -0.030 0.000 1.035 433 V CB -1.200 30.539 31.823 -0.141 0.000 0.658 433 V HN 0.587 nan 8.190 nan 0.000 0.452 434 A N -0.259 122.596 122.820 0.058 0.000 1.898 434 A HA -0.216 4.111 4.320 0.013 0.000 0.216 434 A C 2.355 180.007 177.584 0.113 0.000 1.181 434 A CA 1.955 54.096 52.037 0.173 0.000 0.620 434 A CB -0.461 18.671 19.000 0.221 0.000 0.819 434 A HN 0.479 nan 8.150 nan 0.000 0.442 435 K N -0.244 120.191 120.400 0.057 0.000 2.097 435 K HA -0.118 4.210 4.320 0.013 0.000 0.206 435 K C 2.136 178.720 176.600 -0.027 0.000 1.049 435 K CA 1.195 57.500 56.287 0.031 0.000 0.933 435 K CB -0.296 32.213 32.500 0.016 0.000 0.717 435 K HN 0.384 nan 8.250 nan 0.000 0.442 436 A N 0.566 123.353 122.820 -0.055 0.000 1.902 436 A HA -0.126 4.202 4.320 0.013 0.000 0.217 436 A C 2.149 179.613 177.584 -0.201 0.000 1.181 436 A CA 1.945 53.927 52.037 -0.091 0.000 0.623 436 A CB -0.554 18.411 19.000 -0.058 0.000 0.818 436 A HN 0.342 nan 8.150 nan 0.000 0.443 437 S N -0.006 115.487 115.700 -0.345 0.000 2.370 437 S HA -0.160 4.318 4.470 0.013 0.000 0.226 437 S C 1.811 176.054 174.600 -0.594 0.000 1.033 437 S CA 1.601 59.358 58.200 -0.737 0.000 1.011 437 S CB -0.526 61.791 63.200 -1.471 0.000 0.852 437 S HN 0.551 nan 8.310 nan 0.000 0.457 438 I N 1.723 122.112 120.570 -0.301 0.000 2.142 438 I HA -0.210 3.967 4.170 0.013 0.000 0.240 438 I C 2.085 178.138 176.117 -0.105 0.000 1.078 438 I CA 1.320 62.584 61.300 -0.061 0.000 1.343 438 I CB -0.454 37.606 38.000 0.100 0.000 1.046 438 I HN 0.168 nan 8.210 nan 0.000 0.405 439 D N 0.332 120.676 120.400 -0.095 0.000 2.178 439 D HA -0.187 4.460 4.640 0.013 0.000 0.201 439 D C 2.257 178.493 176.300 -0.107 0.000 0.980 439 D CA 1.202 55.158 54.000 -0.074 0.000 0.842 439 D CB -0.171 40.599 40.800 -0.049 0.000 0.948 439 D HN 0.446 nan 8.370 nan 0.000 0.472 440 Q N -0.024 119.676 119.800 -0.168 0.000 2.137 440 Q HA -0.007 4.340 4.340 0.013 0.000 0.198 440 Q C 2.283 178.103 176.000 -0.300 0.000 0.960 440 Q CA 0.786 56.479 55.803 -0.183 0.000 0.847 440 Q CB 0.155 28.784 28.738 -0.182 0.000 0.915 440 Q HN 0.078 nan 8.270 nan 0.000 0.448 441 S N 0.907 116.327 115.700 -0.467 0.000 2.365 441 S HA -0.204 4.273 4.470 0.013 0.000 0.225 441 S C 1.786 176.150 174.600 -0.394 0.000 1.039 441 S CA 1.358 59.077 58.200 -0.802 0.000 1.033 441 S CB -0.209 62.576 63.200 -0.691 0.000 0.887 441 S HN 0.327 nan 8.310 nan 0.000 0.447 442 R N 0.979 121.377 120.500 -0.171 0.000 2.073 442 R HA -0.058 4.289 4.340 0.013 0.000 0.234 442 R C 2.533 178.825 176.300 -0.013 0.000 1.134 442 R CA 1.345 57.424 56.100 -0.035 0.000 0.952 442 R CB -0.334 29.962 30.300 -0.008 0.000 0.850 442 R HN 0.517 nan 8.270 nan 0.000 0.433 443 E N 0.978 121.157 120.200 -0.036 0.000 2.085 443 E HA -0.206 4.151 4.350 0.013 0.000 0.194 443 E C 1.712 178.330 176.600 0.030 0.000 0.994 443 E CA 1.287 57.689 56.400 0.004 0.000 0.801 443 E CB 0.038 29.738 29.700 0.000 0.000 0.743 443 E HN 0.299 nan 8.360 nan 0.000 0.453 444 M N 0.295 119.895 119.600 -0.000 0.000 2.686 444 M HA -0.024 4.463 4.480 0.013 0.000 0.246 444 M C -0.249 176.160 176.300 0.181 0.000 1.096 444 M CA 0.508 55.856 55.300 0.080 0.000 1.076 444 M CB 0.305 32.950 32.600 0.076 0.000 1.504 444 M HN -0.108 nan 8.290 nan 0.000 0.524 445 K N -0.560 119.928 120.400 0.146 0.000 3.150 445 K HA -0.188 4.140 4.320 0.013 0.000 0.267 445 K C -1.211 175.551 176.600 0.271 0.000 1.028 445 K CA 0.612 56.998 56.287 0.165 0.000 0.753 445 K CB -2.858 29.708 32.500 0.111 0.000 1.288 445 K HN 0.292 nan 8.250 nan 0.000 0.473 446 Y N 1.370 121.721 120.300 0.085 0.000 2.712 446 Y HA -0.039 4.518 4.550 0.012 0.000 0.333 446 Y C 1.864 177.865 175.900 0.168 0.000 1.225 446 Y CA 0.062 58.259 58.100 0.161 0.000 1.499 446 Y CB 0.435 38.983 38.460 0.148 0.000 1.288 446 Y HN 0.175 nan 8.280 nan 0.000 0.575 447 Q N 1.120 121.076 119.800 0.260 0.000 2.584 447 Q HA 0.212 4.559 4.340 0.013 0.000 0.218 447 Q C 0.384 176.546 176.000 0.270 0.000 1.079 447 Q CA -0.254 55.627 55.803 0.130 0.000 1.008 447 Q CB 0.441 29.093 28.738 -0.144 0.000 1.267 447 Q HN 0.788 nan 8.270 nan 0.000 0.586 448 S N -0.220 115.575 115.700 0.157 0.000 2.608 448 S HA 0.023 4.501 4.470 0.013 0.000 0.261 448 S C 0.944 175.694 174.600 0.249 0.000 1.314 448 S CA -0.631 57.677 58.200 0.181 0.000 0.992 448 S CB 0.506 63.764 63.200 0.096 0.000 0.935 448 S HN 0.638 nan 8.310 nan 0.000 0.564 449 L N 1.382 122.721 121.223 0.193 0.000 2.013 449 L HA -0.144 4.203 4.340 0.013 0.000 0.212 449 L C 1.935 178.897 176.870 0.152 0.000 1.073 449 L CA 2.082 57.033 54.840 0.184 0.000 0.753 449 L CB -1.406 40.717 42.059 0.108 0.000 0.890 449 L HN 0.745 nan 8.230 nan 0.000 0.432 450 N N -0.443 118.303 118.700 0.077 0.000 2.244 450 N HA -0.132 4.616 4.740 0.013 0.000 0.183 450 N C 1.726 177.234 175.510 -0.003 0.000 1.016 450 N CA 1.033 54.094 53.050 0.018 0.000 0.866 450 N CB -0.201 38.277 38.487 -0.015 0.000 0.980 450 N HN 0.449 nan 8.380 nan 0.000 0.430 451 E N 0.200 120.391 120.200 -0.015 0.000 2.051 451 E HA -0.128 4.230 4.350 0.013 0.000 0.192 451 E C 1.817 178.340 176.600 -0.128 0.000 0.991 451 E CA 0.896 57.227 56.400 -0.114 0.000 0.799 451 E CB -0.517 29.065 29.700 -0.195 0.000 0.748 451 E HN 0.473 nan 8.360 nan 0.000 0.449 452 Y N 1.179 121.506 120.300 0.044 0.000 2.181 452 Y HA -0.146 4.410 4.550 0.012 0.000 0.288 452 Y C 2.608 178.603 175.900 0.159 0.000 1.146 452 Y CA 1.377 59.552 58.100 0.125 0.000 1.164 452 Y CB -0.234 38.293 38.460 0.112 0.000 0.982 452 Y HN -0.010 nan 8.280 nan 0.000 0.515 453 R N 0.215 120.830 120.500 0.191 0.000 2.094 453 R HA -0.221 4.127 4.340 0.013 0.000 0.239 453 R C 2.171 178.506 176.300 0.057 0.000 1.137 453 R CA 2.035 58.185 56.100 0.083 0.000 0.943 453 R CB -0.320 29.948 30.300 -0.053 0.000 0.850 453 R HN 0.265 nan 8.270 nan 0.000 0.433 454 K N -0.014 120.382 120.400 -0.006 0.000 2.009 454 K HA -0.209 4.119 4.320 0.013 0.000 0.210 454 K C 2.064 178.623 176.600 -0.067 0.000 1.049 454 K CA 1.581 57.835 56.287 -0.055 0.000 0.929 454 K CB -0.190 32.252 32.500 -0.096 0.000 0.714 454 K HN -0.081 nan 8.250 nan 0.000 0.440 455 R N 0.563 121.015 120.500 -0.081 0.000 2.153 455 R HA -0.152 4.195 4.340 0.013 0.000 0.252 455 R C 0.666 176.738 176.300 -0.380 0.000 1.158 455 R CA 1.685 57.657 56.100 -0.213 0.000 0.975 455 R CB -0.437 29.752 30.300 -0.185 0.000 0.871 455 R HN 0.178 nan 8.270 nan 0.000 0.450 456 F N 0.147 120.056 119.950 -0.069 0.000 2.850 456 F HA 0.310 4.844 4.527 0.012 0.000 0.306 456 F C 0.376 176.125 175.800 -0.084 0.000 1.162 456 F CA -0.015 57.927 58.000 -0.097 0.000 1.327 456 F CB 0.362 39.306 39.000 -0.092 0.000 0.953 456 F HN -0.080 nan 8.300 nan 0.000 0.507 457 S N 0.599 116.308 115.700 0.015 0.000 3.635 457 S HA -0.191 4.286 4.470 0.013 0.000 0.328 457 S C -0.090 174.521 174.600 0.018 0.000 1.135 457 S CA 0.286 58.494 58.200 0.014 0.000 0.942 457 S CB -2.021 61.196 63.200 0.030 0.000 0.930 457 S HN 0.318 nan 8.310 nan 0.000 0.512 458 L N 0.243 121.467 121.223 0.002 0.000 2.330 458 L HA 0.527 4.874 4.340 0.013 0.000 0.271 458 L C 0.500 177.318 176.870 -0.086 0.000 1.013 458 L CA -0.852 53.962 54.840 -0.043 0.000 0.816 458 L CB 1.087 43.110 42.059 -0.060 0.000 1.287 458 L HN -0.003 nan 8.230 nan 0.000 0.435 459 K N 2.020 122.347 120.400 -0.122 0.000 2.322 459 K HA 0.272 4.600 4.320 0.013 0.000 0.283 459 K C -2.337 174.131 176.600 -0.220 0.000 1.042 459 K CA -1.518 54.689 56.287 -0.134 0.000 0.958 459 K CB 0.890 33.324 32.500 -0.110 0.000 0.984 459 K HN 0.191 nan 8.250 nan 0.000 0.473 460 P HA -0.052 nan 4.420 nan 0.000 0.268 460 P C -1.024 176.179 177.300 -0.162 0.000 1.204 460 P CA 0.197 63.196 63.100 -0.167 0.000 0.768 460 P CB 0.232 31.878 31.700 -0.090 0.000 0.842 461 Y N 0.768 121.022 120.300 -0.076 0.000 2.610 461 Y HA 0.015 4.572 4.550 0.011 0.000 0.332 461 Y C 2.011 177.833 175.900 -0.131 0.000 1.201 461 Y CA 0.345 58.382 58.100 -0.105 0.000 1.465 461 Y CB 0.242 38.618 38.460 -0.141 0.000 1.283 461 Y HN 0.397 nan 8.280 nan 0.000 0.563 462 T N -2.441 112.160 114.554 0.077 0.000 3.054 462 T HA 0.238 4.596 4.350 0.013 0.000 0.255 462 T C 0.013 174.683 174.700 -0.051 0.000 1.035 462 T CA 0.193 62.289 62.100 -0.006 0.000 0.941 462 T CB -0.112 68.761 68.868 0.008 0.000 1.026 462 T HN 0.514 nan 8.240 nan 0.000 0.533 463 S N -0.809 114.832 115.700 -0.098 0.000 2.611 463 S HA 0.558 5.036 4.470 0.013 0.000 0.268 463 S C -0.233 174.200 174.600 -0.278 0.000 1.156 463 S CA -0.974 57.136 58.200 -0.151 0.000 0.817 463 S CB 0.085 63.274 63.200 -0.019 0.000 1.122 463 S HN -0.075 nan 8.310 nan 0.000 0.466 464 F N 1.159 121.071 119.950 -0.064 0.000 2.293 464 F HA 0.096 4.625 4.527 0.004 0.000 0.300 464 F C 2.498 178.214 175.800 -0.139 0.000 1.086 464 F CA 1.240 59.172 58.000 -0.114 0.000 1.375 464 F CB -0.252 38.705 39.000 -0.071 0.000 1.045 464 F HN 0.671 nan 8.300 nan 0.000 0.516 465 E N 0.070 120.302 120.200 0.054 0.000 2.107 465 E HA -0.217 4.141 4.350 0.013 0.000 0.191 465 E C 2.017 178.573 176.600 -0.073 0.000 0.982 465 E CA 0.953 57.351 56.400 -0.003 0.000 0.809 465 E CB -0.250 29.460 29.700 0.017 0.000 0.756 465 E HN 0.516 nan 8.360 nan 0.000 0.459 466 E N 0.841 120.981 120.200 -0.100 0.000 2.110 466 E HA -0.203 4.155 4.350 0.013 0.000 0.193 466 E C 2.175 178.532 176.600 -0.406 0.000 0.988 466 E CA 0.565 56.892 56.400 -0.122 0.000 0.804 466 E CB 0.058 29.770 29.700 0.020 0.000 0.745 466 E HN 0.087 nan 8.360 nan 0.000 0.458 467 L N 0.649 121.460 121.223 -0.686 0.000 1.994 467 L HA -0.154 4.194 4.340 0.013 0.000 0.208 467 L C 2.492 179.085 176.870 -0.461 0.000 1.071 467 L CA 2.704 56.930 54.840 -1.024 0.000 0.745 467 L CB -0.905 40.732 42.059 -0.703 0.000 0.892 467 L HN 0.252 nan 8.230 nan 0.000 0.431 468 T N -4.218 110.193 114.554 -0.240 0.000 3.035 468 T HA 0.262 4.620 4.350 0.013 0.000 0.259 468 T C 1.617 176.259 174.700 -0.096 0.000 1.078 468 T CA 0.515 62.538 62.100 -0.128 0.000 1.132 468 T CB -0.337 68.492 68.868 -0.066 0.000 0.900 468 T HN 0.735 nan 8.240 nan 0.000 0.480 469 G N 1.793 110.539 108.800 -0.090 0.000 2.162 469 G HA2 -0.197 3.770 3.960 0.013 0.000 0.260 469 G HA3 -0.197 3.770 3.960 0.013 0.000 0.260 469 G C -0.116 174.763 174.900 -0.035 0.000 0.976 469 G CA 0.728 45.796 45.100 -0.052 0.000 0.655 469 G HN 1.014 nan 8.290 nan 0.000 0.533 470 E N -2.053 118.127 120.200 -0.034 0.000 2.433 470 E HA 0.810 5.168 4.350 0.013 0.000 0.264 470 E C 0.726 177.318 176.600 -0.014 0.000 0.960 470 E CA -0.815 55.571 56.400 -0.023 0.000 0.866 470 E CB 0.242 29.926 29.700 -0.027 0.000 1.615 470 E HN 0.019 nan 8.360 nan 0.000 0.442 471 K N -0.461 119.932 120.400 -0.012 0.000 2.367 471 K HA 0.129 4.457 4.320 0.013 0.000 0.198 471 K C 1.639 178.232 176.600 -0.011 0.000 1.132 471 K CA 0.419 56.703 56.287 -0.005 0.000 0.941 471 K CB 0.374 32.871 32.500 -0.004 0.000 1.052 471 K HN 0.592 nan 8.250 nan 0.000 0.507 472 E N 1.650 121.840 120.200 -0.016 0.000 2.015 472 E HA -0.116 4.242 4.350 0.013 0.000 0.191 472 E C 2.024 178.607 176.600 -0.028 0.000 0.991 472 E CA 1.212 57.599 56.400 -0.021 0.000 0.802 472 E CB 0.106 29.793 29.700 -0.020 0.000 0.759 472 E HN 0.132 nan 8.360 nan 0.000 0.447 473 M N 0.222 119.805 119.600 -0.028 0.000 2.175 473 M HA -0.091 4.396 4.480 0.013 0.000 0.264 473 M C 2.465 178.740 176.300 -0.042 0.000 1.063 473 M CA 1.225 56.505 55.300 -0.034 0.000 1.119 473 M CB -0.175 32.406 32.600 -0.031 0.000 1.377 473 M HN 0.210 nan 8.290 nan 0.000 0.415 474 A N 0.813 123.621 122.820 -0.020 0.000 1.883 474 A HA -0.130 4.198 4.320 0.013 0.000 0.217 474 A C 2.405 179.947 177.584 -0.071 0.000 1.186 474 A CA 2.199 54.242 52.037 0.010 0.000 0.624 474 A CB -0.992 18.041 19.000 0.056 0.000 0.822 474 A HN 0.498 nan 8.150 nan 0.000 0.444 475 A N -0.527 122.261 122.820 -0.054 0.000 1.877 475 A HA -0.151 4.176 4.320 0.013 0.000 0.216 475 A C 1.934 179.449 177.584 -0.114 0.000 1.186 475 A CA 1.581 53.575 52.037 -0.071 0.000 0.620 475 A CB -0.531 18.447 19.000 -0.037 0.000 0.822 475 A HN 0.536 nan 8.150 nan 0.000 0.443 476 E N -0.008 120.136 120.200 -0.093 0.000 2.086 476 E HA -0.228 4.130 4.350 0.013 0.000 0.200 476 E C 2.021 178.535 176.600 -0.144 0.000 1.012 476 E CA 1.436 57.781 56.400 -0.092 0.000 0.812 476 E CB -0.455 29.209 29.700 -0.059 0.000 0.743 476 E HN 0.668 nan 8.360 nan 0.000 0.453 477 L N 0.608 121.701 121.223 -0.218 0.000 2.141 477 L HA -0.159 4.189 4.340 0.013 0.000 0.209 477 L C 2.676 179.087 176.870 -0.765 0.000 1.094 477 L CA 1.131 55.752 54.840 -0.365 0.000 0.763 477 L CB -0.262 41.556 42.059 -0.402 0.000 0.908 477 L HN 0.064 nan 8.230 nan 0.000 0.437 478 K N 0.381 120.300 120.400 -0.802 0.000 2.103 478 K HA -0.109 4.219 4.320 0.013 0.000 0.204 478 K C 2.105 178.563 176.600 -0.235 0.000 1.052 478 K CA 1.093 56.989 56.287 -0.651 0.000 0.945 478 K CB -0.031 32.326 32.500 -0.239 0.000 0.722 478 K HN 0.216 nan 8.250 nan 0.000 0.443 479 A N 1.135 123.852 122.820 -0.172 0.000 1.969 479 A HA -0.066 4.261 4.320 0.013 0.000 0.218 479 A C 2.034 179.560 177.584 -0.097 0.000 1.169 479 A CA 1.091 53.070 52.037 -0.096 0.000 0.635 479 A CB -0.430 18.522 19.000 -0.079 0.000 0.810 479 A HN 0.317 nan 8.150 nan 0.000 0.445 480 L N -2.819 118.327 121.223 -0.128 0.000 2.068 480 L HA -0.077 4.271 4.340 0.013 0.000 0.204 480 L C 2.315 179.056 176.870 -0.216 0.000 1.076 480 L CA 1.247 55.980 54.840 -0.178 0.000 0.753 480 L CB -0.352 41.581 42.059 -0.209 0.000 0.910 480 L HN 0.480 nan 8.230 nan 0.000 0.439 481 Y N -1.308 118.932 120.300 -0.099 0.000 2.507 481 Y HA 0.027 4.583 4.550 0.010 0.000 0.263 481 Y C 1.975 177.936 175.900 0.100 0.000 1.093 481 Y CA 0.467 58.588 58.100 0.036 0.000 1.285 481 Y CB 0.540 39.095 38.460 0.159 0.000 1.115 481 Y HN 0.111 nan 8.280 nan 0.000 0.533 482 S N -0.943 114.876 115.700 0.198 0.000 1.694 482 S HA -0.293 4.184 4.470 0.013 0.000 0.236 482 S C 0.082 174.876 174.600 0.323 0.000 0.821 482 S CA 1.752 60.068 58.200 0.194 0.000 1.530 482 S CB -1.280 61.995 63.200 0.125 0.000 1.703 482 S HN 0.517 nan 8.310 nan 0.000 0.517 483 D N 0.638 121.235 120.400 0.328 0.000 2.168 483 D HA 0.563 5.211 4.640 0.013 0.000 0.246 483 D C 0.747 177.168 176.300 0.202 0.000 1.050 483 D CA -0.473 53.667 54.000 0.234 0.000 0.857 483 D CB 1.337 42.219 40.800 0.137 0.000 1.169 483 D HN 0.138 nan 8.370 nan 0.000 0.453 484 I N 2.599 123.089 120.570 -0.134 0.000 2.361 484 I HA -0.182 3.995 4.170 0.013 0.000 0.251 484 I C 1.134 177.125 176.117 -0.211 0.000 1.133 484 I CA 1.422 62.386 61.300 -0.559 0.000 1.413 484 I CB -0.047 37.611 38.000 -0.569 0.000 1.073 484 I HN 0.355 nan 8.210 nan 0.000 0.424 485 D N -0.351 120.009 120.400 -0.067 0.000 2.348 485 D HA -0.030 4.618 4.640 0.013 0.000 0.216 485 D C 2.165 178.489 176.300 0.039 0.000 0.970 485 D CA 0.754 54.745 54.000 -0.014 0.000 0.889 485 D CB 0.181 40.979 40.800 -0.004 0.000 0.912 485 D HN 0.296 nan 8.370 nan 0.000 0.524 486 V N 0.569 120.539 119.914 0.094 0.000 3.354 486 V HA 0.023 4.151 4.120 0.013 0.000 0.258 486 V C 0.971 177.173 176.094 0.182 0.000 1.159 486 V CA -0.042 62.365 62.300 0.179 0.000 1.125 486 V CB -0.188 31.799 31.823 0.273 0.000 0.774 486 V HN 0.122 nan 8.190 nan 0.000 0.464 487 M N 1.403 121.010 119.600 0.012 0.000 2.250 487 M HA 0.084 4.571 4.480 0.013 0.000 0.337 487 M C 0.205 176.463 176.300 -0.069 0.000 1.161 487 M CA 0.510 55.655 55.300 -0.257 0.000 1.088 487 M CB -0.175 32.292 32.600 -0.222 0.000 1.639 487 M HN 0.293 nan 8.290 nan 0.000 0.447 488 E N 3.274 123.429 120.200 -0.075 0.000 2.283 488 E HA 0.146 4.504 4.350 0.013 0.000 0.271 488 E C 0.510 177.168 176.600 0.097 0.000 1.031 488 E CA -0.686 55.779 56.400 0.109 0.000 0.868 488 E CB 1.128 30.946 29.700 0.195 0.000 1.094 488 E HN 0.758 nan 8.360 nan 0.000 0.401 489 L N 2.947 124.268 121.223 0.163 0.000 1.970 489 L HA -0.245 4.103 4.340 0.013 0.000 0.212 489 L C 2.087 179.016 176.870 0.100 0.000 1.071 489 L CA 1.976 56.886 54.840 0.117 0.000 0.751 489 L CB -0.755 41.341 42.059 0.061 0.000 0.889 489 L HN 0.731 nan 8.230 nan 0.000 0.432 490 Y N 0.882 121.192 120.300 0.016 0.000 2.114 490 Y HA -0.089 4.469 4.550 0.014 0.000 0.284 490 Y C -0.568 175.340 175.900 0.014 0.000 1.143 490 Y CA 1.717 59.810 58.100 -0.011 0.000 1.135 490 Y CB -1.909 36.508 38.460 -0.071 0.000 0.980 490 Y HN 0.242 nan 8.280 nan 0.000 0.499 491 P HA -0.185 nan 4.420 nan 0.000 0.215 491 P C 1.590 178.780 177.300 -0.183 0.000 1.153 491 P CA 2.571 65.513 63.100 -0.263 0.000 0.853 491 P CB -0.414 31.270 31.700 -0.026 0.000 0.788 492 A N -0.387 122.373 122.820 -0.099 0.000 1.917 492 A HA -0.215 4.112 4.320 0.013 0.000 0.219 492 A C 2.255 179.799 177.584 -0.068 0.000 1.182 492 A CA 1.735 53.732 52.037 -0.066 0.000 0.633 492 A CB -1.773 17.218 19.000 -0.015 0.000 0.819 492 A HN 0.132 nan 8.150 nan 0.000 0.448 493 L N -0.843 120.333 121.223 -0.078 0.000 2.083 493 L HA -0.156 4.192 4.340 0.013 0.000 0.209 493 L C 2.230 179.053 176.870 -0.079 0.000 1.083 493 L CA 1.062 55.865 54.840 -0.062 0.000 0.752 493 L CB -0.351 41.685 42.059 -0.038 0.000 0.899 493 L HN 0.387 nan 8.230 nan 0.000 0.433 494 L N -0.831 120.303 121.223 -0.148 0.000 2.509 494 L HA -0.010 4.338 4.340 0.013 0.000 0.222 494 L C 1.955 178.769 176.870 -0.094 0.000 1.123 494 L CA 0.143 54.910 54.840 -0.121 0.000 0.856 494 L CB -0.155 41.786 42.059 -0.196 0.000 0.985 494 L HN 0.215 nan 8.230 nan 0.000 0.456 495 V N -4.378 115.479 119.914 -0.095 0.000 3.660 495 V HA 0.132 4.260 4.120 0.013 0.000 0.276 495 V C 0.966 177.015 176.094 -0.075 0.000 1.317 495 V CA -0.279 61.975 62.300 -0.075 0.000 1.097 495 V CB -0.221 31.562 31.823 -0.066 0.000 0.863 495 V HN 0.251 nan 8.190 nan 0.000 0.438 496 E N 2.247 122.405 120.200 -0.070 0.000 2.413 496 E HA 0.052 4.409 4.350 0.013 0.000 0.263 496 E C 0.297 176.859 176.600 -0.063 0.000 1.015 496 E CA -0.304 56.053 56.400 -0.071 0.000 0.916 496 E CB 0.493 30.182 29.700 -0.019 0.000 0.947 496 E HN 0.464 nan 8.360 nan 0.000 0.440 497 K N 5.150 125.504 120.400 -0.077 0.000 2.437 497 K HA 0.017 4.344 4.320 0.013 0.000 0.277 497 K C -2.280 174.297 176.600 -0.039 0.000 1.073 497 K CA -1.026 55.227 56.287 -0.056 0.000 1.105 497 K CB 0.263 32.733 32.500 -0.051 0.000 0.881 497 K HN 0.252 nan 8.250 nan 0.000 0.475 498 P HA 0.132 nan 4.420 nan 0.000 0.274 498 P C -0.685 176.573 177.300 -0.070 0.000 1.246 498 P CA -0.464 62.599 63.100 -0.062 0.000 0.795 498 P CB 0.597 32.246 31.700 -0.086 0.000 1.006 499 R N 1.904 122.336 120.500 -0.112 0.000 2.827 499 R HA 0.207 4.554 4.340 0.013 0.000 0.269 499 R C -1.979 174.287 176.300 -0.057 0.000 1.048 499 R CA -1.336 54.677 56.100 -0.145 0.000 1.173 499 R CB -1.432 28.624 30.300 -0.406 0.000 1.070 499 R HN 0.380 nan 8.270 nan 0.000 0.498 500 P HA -0.005 nan 4.420 nan 0.000 0.261 500 P C -0.964 176.340 177.300 0.006 0.000 1.203 500 P CA 0.535 63.657 63.100 0.036 0.000 0.767 500 P CB 0.315 32.082 31.700 0.112 0.000 0.785 501 D N 0.002 120.380 120.400 -0.037 0.000 2.911 501 D HA -0.197 4.451 4.640 0.013 0.000 0.227 501 D C 0.194 176.425 176.300 -0.115 0.000 1.164 501 D CA 1.428 55.384 54.000 -0.072 0.000 0.782 501 D CB -1.377 39.387 40.800 -0.059 0.000 1.094 501 D HN 0.481 nan 8.370 nan 0.000 0.425 502 A N -0.116 122.629 122.820 -0.125 0.000 2.294 502 A HA 0.674 5.002 4.320 0.013 0.000 0.330 502 A C 1.304 178.720 177.584 -0.281 0.000 1.133 502 A CA -0.492 51.430 52.037 -0.193 0.000 0.836 502 A CB 1.080 19.998 19.000 -0.138 0.000 1.190 502 A HN 0.143 nan 8.150 nan 0.000 0.492 503 I N -0.494 119.795 120.570 -0.468 0.000 2.546 503 I HA 0.056 4.234 4.170 0.013 0.000 0.255 503 I C -0.583 175.203 176.117 -0.552 0.000 1.163 503 I CA 0.833 61.750 61.300 -0.639 0.000 1.457 503 I CB -0.078 37.292 38.000 -1.050 0.000 1.092 503 I HN 0.497 nan 8.210 nan 0.000 0.434 504 F N -0.477 119.314 119.950 -0.266 0.000 2.579 504 F HA 0.602 5.136 4.527 0.012 0.000 0.324 504 F C 0.787 176.480 175.800 -0.179 0.000 1.058 504 F CA -1.273 56.584 58.000 -0.238 0.000 0.944 504 F CB 0.676 39.525 39.000 -0.252 0.000 1.245 504 F HN -0.258 nan 8.300 nan 0.000 0.477 505 G N -0.273 108.583 108.800 0.092 0.000 2.535 505 G HA2 0.255 4.223 3.960 0.013 0.000 0.303 505 G HA3 0.255 4.223 3.960 0.013 0.000 0.303 505 G C 0.664 175.571 174.900 0.011 0.000 1.237 505 G CA -0.314 44.797 45.100 0.019 0.000 0.986 505 G HN 0.744 nan 8.290 nan 0.000 0.494 506 E N -0.971 119.235 120.200 0.010 0.000 2.049 506 E HA -0.195 4.162 4.350 0.013 0.000 0.198 506 E C 2.315 178.911 176.600 -0.008 0.000 1.007 506 E CA 1.990 58.393 56.400 0.005 0.000 0.809 506 E CB -0.259 29.456 29.700 0.025 0.000 0.749 506 E HN 0.456 nan 8.360 nan 0.000 0.450 507 T N 0.928 115.485 114.554 0.006 0.000 2.746 507 T HA -0.206 4.152 4.350 0.013 0.000 0.267 507 T C 1.736 176.383 174.700 -0.087 0.000 1.039 507 T CA 1.604 63.688 62.100 -0.027 0.000 1.142 507 T CB -0.266 68.617 68.868 0.025 0.000 0.866 507 T HN 0.192 nan 8.240 nan 0.000 0.444 508 M N 1.155 120.690 119.600 -0.108 0.000 2.086 508 M HA -0.055 4.432 4.480 0.013 0.000 0.261 508 M C 2.095 178.270 176.300 -0.209 0.000 1.067 508 M CA 1.443 56.612 55.300 -0.218 0.000 1.116 508 M CB -0.558 31.774 32.600 -0.446 0.000 1.348 508 M HN 0.059 nan 8.290 nan 0.000 0.407 509 V N 0.136 119.972 119.914 -0.130 0.000 2.379 509 V HA -0.186 3.942 4.120 0.013 0.000 0.245 509 V C 2.380 178.447 176.094 -0.046 0.000 1.044 509 V CA 1.723 63.997 62.300 -0.044 0.000 1.036 509 V CB -0.835 31.016 31.823 0.047 0.000 0.664 509 V HN 0.424 nan 8.190 nan 0.000 0.453 510 E N 0.051 120.211 120.200 -0.066 0.000 2.208 510 E HA -0.051 4.307 4.350 0.013 0.000 0.193 510 E C 2.155 178.597 176.600 -0.264 0.000 0.988 510 E CA 0.878 57.228 56.400 -0.083 0.000 0.828 510 E CB -0.067 29.613 29.700 -0.032 0.000 0.763 510 E HN 0.497 nan 8.360 nan 0.000 0.478 511 L N -0.664 120.307 121.223 -0.420 0.000 2.202 511 L HA 0.093 4.441 4.340 0.013 0.000 0.205 511 L C 2.357 178.969 176.870 -0.430 0.000 1.083 511 L CA 1.130 55.447 54.840 -0.873 0.000 0.790 511 L CB -0.748 40.886 42.059 -0.707 0.000 0.942 511 L HN 0.124 nan 8.230 nan 0.000 0.452 512 G N -0.081 108.665 108.800 -0.090 0.000 2.421 512 G HA2 -0.091 3.877 3.960 0.013 0.000 0.217 512 G HA3 -0.091 3.877 3.960 0.013 0.000 0.217 512 G C 1.784 176.759 174.900 0.126 0.000 1.143 512 G CA 0.765 45.974 45.100 0.182 0.000 0.784 512 G HN 0.401 nan 8.290 nan 0.000 0.541 513 A N 1.617 124.448 122.820 0.018 0.000 1.873 513 A HA 0.122 4.449 4.320 0.013 0.000 0.215 513 A C 0.712 178.281 177.584 -0.024 0.000 1.186 513 A CA 1.719 53.783 52.037 0.045 0.000 0.616 513 A CB -1.028 17.999 19.000 0.045 0.000 0.823 513 A HN 0.343 nan 8.150 nan 0.000 0.442 514 P HA -0.131 nan 4.420 nan 0.000 0.215 514 P C 1.196 178.360 177.300 -0.226 0.000 1.157 514 P CA 1.105 64.092 63.100 -0.189 0.000 0.868 514 P CB -0.232 31.325 31.700 -0.239 0.000 0.788 515 F N -0.421 119.350 119.950 -0.298 0.000 2.102 515 F HA -0.179 4.355 4.527 0.012 0.000 0.298 515 F C 2.789 178.178 175.800 -0.686 0.000 1.105 515 F CA 1.432 59.020 58.000 -0.687 0.000 1.239 515 F CB -0.983 37.114 39.000 -1.505 0.000 0.991 515 F HN -0.041 nan 8.300 nan 0.000 0.474 516 S N 0.748 116.320 115.700 -0.214 0.000 2.348 516 S HA -0.167 4.311 4.470 0.013 0.000 0.221 516 S C 1.974 176.673 174.600 0.166 0.000 1.033 516 S CA 1.311 59.623 58.200 0.186 0.000 1.010 516 S CB -0.533 62.944 63.200 0.461 0.000 0.891 516 S HN 0.315 nan 8.310 nan 0.000 0.442 517 L N 0.807 122.108 121.223 0.129 0.000 2.217 517 L HA 0.039 4.386 4.340 0.013 0.000 0.211 517 L C 2.890 179.859 176.870 0.166 0.000 1.107 517 L CA 0.895 55.822 54.840 0.146 0.000 0.783 517 L CB -0.407 41.723 42.059 0.118 0.000 0.919 517 L HN 0.220 nan 8.230 nan 0.000 0.442 518 K N 0.681 121.161 120.400 0.133 0.000 2.057 518 K HA -0.083 4.244 4.320 0.013 0.000 0.206 518 K C 2.047 178.736 176.600 0.149 0.000 1.050 518 K CA 1.444 57.837 56.287 0.176 0.000 0.935 518 K CB -0.555 31.984 32.500 0.065 0.000 0.715 518 K HN 0.329 nan 8.250 nan 0.000 0.439 519 G N 1.387 110.226 108.800 0.065 0.000 2.440 519 G HA2 -0.212 3.756 3.960 0.013 0.000 0.218 519 G HA3 -0.212 3.756 3.960 0.013 0.000 0.218 519 G C 1.484 176.449 174.900 0.108 0.000 1.154 519 G CA 0.453 45.564 45.100 0.018 0.000 0.767 519 G HN 0.143 nan 8.290 nan 0.000 0.552 520 L N 0.267 121.593 121.223 0.171 0.000 1.988 520 L HA 0.109 4.456 4.340 0.013 0.000 0.207 520 L C 2.882 179.897 176.870 0.241 0.000 1.071 520 L CA 1.289 56.249 54.840 0.201 0.000 0.744 520 L CB -0.875 41.299 42.059 0.192 0.000 0.893 520 L HN 0.160 nan 8.230 nan 0.000 0.433 521 M N -1.010 118.752 119.600 0.271 0.000 2.419 521 M HA 0.087 4.575 4.480 0.013 0.000 0.264 521 M C 2.085 178.709 176.300 0.541 0.000 1.082 521 M CA 0.919 56.406 55.300 0.310 0.000 1.119 521 M CB -1.710 30.926 32.600 0.060 0.000 1.398 521 M HN 0.292 nan 8.290 nan 0.000 0.453 522 G N 0.701 109.791 108.800 0.484 0.000 2.534 522 G HA2 -0.150 3.818 3.960 0.013 0.000 0.217 522 G HA3 -0.150 3.818 3.960 0.013 0.000 0.217 522 G C 0.875 175.982 174.900 0.345 0.000 1.128 522 G CA -0.075 45.261 45.100 0.394 0.000 0.784 522 G HN 0.436 nan 8.290 nan 0.000 0.542 523 N N 1.138 120.011 118.700 0.289 0.000 2.407 523 N HA 0.023 4.771 4.740 0.013 0.000 0.250 523 N C -1.113 174.494 175.510 0.162 0.000 1.236 523 N CA -1.063 52.105 53.050 0.196 0.000 0.879 523 N CB 1.864 40.468 38.487 0.195 0.000 1.088 523 N HN -0.027 nan 8.380 nan 0.000 0.450 524 P HA -0.099 nan 4.420 nan 0.000 0.223 524 P C 1.463 178.555 177.300 -0.348 0.000 1.151 524 P CA 0.951 63.901 63.100 -0.250 0.000 0.787 524 P CB -0.128 31.271 31.700 -0.502 0.000 0.788 525 I N -3.188 117.336 120.570 -0.076 0.000 2.700 525 I HA -0.115 4.063 4.170 0.013 0.000 0.261 525 I C 1.595 178.014 176.117 0.503 0.000 1.219 525 I CA 1.327 62.812 61.300 0.308 0.000 1.463 525 I CB -1.222 37.119 38.000 0.568 0.000 1.092 525 I HN -0.171 nan 8.210 nan 0.000 0.452 526 C N 1.271 120.734 119.300 0.271 0.000 2.594 526 C HA 0.189 4.656 4.460 0.013 0.000 0.265 526 C C 1.758 176.753 174.990 0.007 0.000 1.351 526 C CA 0.244 59.364 59.018 0.170 0.000 1.744 526 C CB -1.716 26.173 27.740 0.248 0.000 1.890 526 C HN 0.710 nan 8.230 nan 0.000 0.551 527 S N 1.736 117.268 115.700 -0.280 0.000 2.592 527 S HA 0.218 4.696 4.470 0.013 0.000 0.271 527 S C -1.617 172.900 174.600 -0.137 0.000 1.326 527 S CA -0.648 57.143 58.200 -0.683 0.000 1.024 527 S CB 0.705 63.553 63.200 -0.588 0.000 0.921 527 S HN 0.050 nan 8.310 nan 0.000 0.527 528 P HA -0.169 nan 4.420 nan 0.000 0.218 528 P C 1.479 178.697 177.300 -0.137 0.000 1.154 528 P CA 1.400 64.172 63.100 -0.547 0.000 0.872 528 P CB 0.027 31.357 31.700 -0.617 0.000 0.790 529 Q N -2.562 117.207 119.800 -0.052 0.000 2.378 529 Q HA -0.059 4.288 4.340 0.013 0.000 0.205 529 Q C 1.947 177.916 176.000 -0.052 0.000 0.954 529 Q CA 1.154 56.930 55.803 -0.045 0.000 0.901 529 Q CB -0.387 28.317 28.738 -0.057 0.000 0.981 529 Q HN 0.487 nan 8.270 nan 0.000 0.483 530 Y N -1.540 118.758 120.300 -0.003 0.000 2.397 530 Y HA -0.032 4.525 4.550 0.013 0.000 0.292 530 Y C 1.206 177.178 175.900 0.120 0.000 1.115 530 Y CA -0.003 58.108 58.100 0.018 0.000 1.208 530 Y CB 0.360 38.873 38.460 0.089 0.000 1.046 530 Y HN 0.184 nan 8.280 nan 0.000 0.552 531 W N 4.780 126.231 121.300 0.251 0.000 1.864 531 W HA 0.247 4.914 4.660 0.013 0.000 0.425 531 W C -0.826 175.817 176.519 0.206 0.000 0.791 531 W CA -0.064 57.521 57.345 0.400 0.000 1.650 531 W CB -0.446 29.321 29.460 0.512 0.000 1.791 531 W HN 0.081 nan 8.180 nan 0.000 0.266 532 K N 2.533 122.756 120.400 -0.296 0.000 2.555 532 K HA 0.441 4.768 4.320 0.013 0.000 0.279 532 K C -2.596 173.491 176.600 -0.855 0.000 0.986 532 K CA -1.609 54.337 56.287 -0.569 0.000 0.880 532 K CB 1.438 33.789 32.500 -0.248 0.000 1.474 532 K HN -0.296 nan 8.250 nan 0.000 0.433 533 P HA -0.219 nan 4.420 nan 0.000 0.215 533 P C 1.149 178.308 177.300 -0.234 0.000 1.153 533 P CA 1.757 64.508 63.100 -0.583 0.000 0.853 533 P CB 0.015 31.555 31.700 -0.267 0.000 0.788 534 S N -1.600 113.970 115.700 -0.217 0.000 2.419 534 S HA -0.153 4.325 4.470 0.013 0.000 0.235 534 S C 1.839 176.331 174.600 -0.181 0.000 1.019 534 S CA 1.849 59.975 58.200 -0.122 0.000 0.982 534 S CB -2.024 61.109 63.200 -0.112 0.000 0.789 534 S HN 0.143 nan 8.310 nan 0.000 0.490 535 T N 1.547 115.854 114.554 -0.410 0.000 2.833 535 T HA 0.038 4.396 4.350 0.013 0.000 0.269 535 T C 0.566 174.908 174.700 -0.598 0.000 1.054 535 T CA 1.094 62.809 62.100 -0.642 0.000 1.135 535 T CB -0.472 67.759 68.868 -1.062 0.000 0.869 535 T HN 0.618 nan 8.240 nan 0.000 0.466 536 F N 0.329 120.305 119.950 0.042 0.000 2.750 536 F HA 0.485 5.019 4.527 0.013 0.000 0.297 536 F C 1.569 177.483 175.800 0.191 0.000 1.138 536 F CA -0.587 57.493 58.000 0.134 0.000 1.346 536 F CB -0.010 39.091 39.000 0.167 0.000 0.965 536 F HN 0.173 nan 8.300 nan 0.000 0.514 537 G N 0.359 109.353 108.800 0.325 0.000 2.160 537 G HA2 0.093 4.061 3.960 0.013 0.000 0.251 537 G HA3 0.093 4.061 3.960 0.013 0.000 0.251 537 G C 0.580 175.688 174.900 0.346 0.000 1.008 537 G CA 0.081 45.433 45.100 0.420 0.000 0.724 537 G HN 1.244 nan 8.290 nan 0.000 0.514 538 G N -1.542 107.385 108.800 0.212 0.000 2.498 538 G HA2 0.184 4.152 3.960 0.013 0.000 0.651 538 G HA3 0.184 4.152 3.960 0.013 0.000 0.651 538 G C 0.396 175.380 174.900 0.139 0.000 1.284 538 G CA 0.473 45.649 45.100 0.125 0.000 0.950 538 G HN 0.502 nan 8.290 nan 0.000 0.511 539 E N -0.634 119.627 120.200 0.102 0.000 2.153 539 E HA -0.101 4.257 4.350 0.013 0.000 0.194 539 E C 2.791 179.477 176.600 0.143 0.000 0.988 539 E CA 1.565 58.056 56.400 0.153 0.000 0.811 539 E CB -0.147 29.613 29.700 0.099 0.000 0.746 539 E HN 0.406 nan 8.360 nan 0.000 0.466 540 V N 0.843 120.806 119.914 0.082 0.000 2.295 540 V HA -0.178 3.950 4.120 0.013 0.000 0.246 540 V C 2.435 178.580 176.094 0.086 0.000 1.049 540 V CA 2.037 64.368 62.300 0.051 0.000 1.024 540 V CB -0.954 30.866 31.823 -0.005 0.000 0.648 540 V HN 0.328 nan 8.190 nan 0.000 0.447 541 G N -1.243 107.643 108.800 0.143 0.000 2.403 541 G HA2 -0.247 3.721 3.960 0.013 0.000 0.216 541 G HA3 -0.247 3.721 3.960 0.013 0.000 0.216 541 G C 1.523 176.539 174.900 0.194 0.000 1.154 541 G CA 0.573 45.786 45.100 0.188 0.000 0.784 541 G HN 0.411 nan 8.290 nan 0.000 0.538 542 F N 1.568 121.533 119.950 0.026 0.000 2.134 542 F HA 0.031 4.565 4.527 0.013 0.000 0.299 542 F C 2.488 178.211 175.800 -0.128 0.000 1.097 542 F CA 1.492 59.412 58.000 -0.133 0.000 1.264 542 F CB -0.228 38.731 39.000 -0.068 0.000 1.001 542 F HN 0.136 nan 8.300 nan 0.000 0.479 543 K N 0.303 120.700 120.400 -0.005 0.000 2.147 543 K HA -0.161 4.166 4.320 0.013 0.000 0.205 543 K C 2.127 178.694 176.600 -0.056 0.000 1.049 543 K CA 1.578 57.824 56.287 -0.069 0.000 0.936 543 K CB -0.277 32.219 32.500 -0.007 0.000 0.722 543 K HN 0.343 nan 8.250 nan 0.000 0.446 544 I N 0.717 121.278 120.570 -0.015 0.000 2.286 544 I HA -0.282 3.896 4.170 0.013 0.000 0.248 544 I C 2.069 178.188 176.117 0.005 0.000 1.115 544 I CA 1.039 62.343 61.300 0.007 0.000 1.392 544 I CB -0.168 37.858 38.000 0.043 0.000 1.065 544 I HN 0.170 nan 8.210 nan 0.000 0.418 545 I N 0.735 121.282 120.570 -0.040 0.000 2.133 545 I HA -0.263 3.915 4.170 0.013 0.000 0.238 545 I C 1.870 178.014 176.117 0.045 0.000 1.074 545 I CA 1.342 62.645 61.300 0.006 0.000 1.342 545 I CB -0.505 37.447 38.000 -0.079 0.000 1.053 545 I HN 0.256 nan 8.210 nan 0.000 0.404 546 N N 0.433 119.088 118.700 -0.074 0.000 2.571 546 N HA -0.076 4.672 4.740 0.013 0.000 0.189 546 N C 1.269 176.776 175.510 -0.004 0.000 1.154 546 N CA 1.429 54.457 53.050 -0.036 0.000 0.907 546 N CB -0.146 38.205 38.487 -0.227 0.000 0.977 546 N HN 0.497 nan 8.380 nan 0.000 0.449 547 T N -3.509 111.041 114.554 -0.007 0.000 3.132 547 T HA 0.491 4.848 4.350 0.013 0.000 0.274 547 T C 0.568 175.272 174.700 0.007 0.000 1.011 547 T CA -0.572 61.528 62.100 -0.000 0.000 0.899 547 T CB 0.319 69.179 68.868 -0.014 0.000 1.089 547 T HN 0.078 nan 8.240 nan 0.000 0.543 548 A N 1.917 124.754 122.820 0.029 0.000 2.425 548 A HA 0.671 4.998 4.320 0.013 0.000 0.242 548 A C 0.585 178.172 177.584 0.006 0.000 1.077 548 A CA -0.130 51.922 52.037 0.026 0.000 0.781 548 A CB 0.092 19.136 19.000 0.074 0.000 1.020 548 A HN 1.113 nan 8.150 nan 0.000 0.494 549 S N 0.769 116.449 115.700 -0.033 0.000 2.565 549 S HA 0.406 4.883 4.470 0.013 0.000 0.269 549 S C 0.365 174.883 174.600 -0.137 0.000 1.153 549 S CA -0.142 58.013 58.200 -0.075 0.000 0.835 549 S CB 0.529 63.676 63.200 -0.088 0.000 1.122 549 S HN 1.118 nan 8.310 nan 0.000 0.462 550 I N 1.518 121.953 120.570 -0.225 0.000 2.248 550 I HA -0.145 4.033 4.170 0.013 0.000 0.248 550 I C 2.510 178.447 176.117 -0.301 0.000 1.107 550 I CA 2.180 63.284 61.300 -0.327 0.000 1.373 550 I CB -0.561 37.012 38.000 -0.711 0.000 1.055 550 I HN 0.951 nan 8.210 nan 0.000 0.418 551 Q N 0.483 120.102 119.800 -0.301 0.000 2.050 551 Q HA -0.199 4.149 4.340 0.013 0.000 0.202 551 Q C 2.427 178.314 176.000 -0.187 0.000 0.980 551 Q CA 2.652 58.294 55.803 -0.268 0.000 0.840 551 Q CB -0.583 28.010 28.738 -0.243 0.000 0.898 551 Q HN 0.693 nan 8.270 nan 0.000 0.424 552 S N -0.650 114.961 115.700 -0.149 0.000 2.406 552 S HA -0.099 4.379 4.470 0.013 0.000 0.228 552 S C 1.864 176.383 174.600 -0.136 0.000 1.020 552 S CA 0.834 58.965 58.200 -0.115 0.000 0.965 552 S CB -0.542 62.610 63.200 -0.081 0.000 0.798 552 S HN 0.405 nan 8.310 nan 0.000 0.488 553 L N 1.073 122.193 121.223 -0.171 0.000 2.012 553 L HA 0.038 4.386 4.340 0.013 0.000 0.210 553 L C 2.045 178.776 176.870 -0.232 0.000 1.073 553 L CA 1.642 56.337 54.840 -0.241 0.000 0.748 553 L CB -0.717 41.141 42.059 -0.334 0.000 0.891 553 L HN 0.263 nan 8.230 nan 0.000 0.431 554 I N -1.277 119.172 120.570 -0.201 0.000 2.286 554 I HA -0.233 3.944 4.170 0.013 0.000 0.245 554 I C 2.725 178.754 176.117 -0.148 0.000 1.104 554 I CA 1.268 62.460 61.300 -0.179 0.000 1.397 554 I CB -1.015 36.883 38.000 -0.170 0.000 1.072 554 I HN 0.467 nan 8.210 nan 0.000 0.417 555 c N 1.155 119.676 118.600 -0.132 0.000 2.429 555 c HA -0.132 4.446 4.570 0.013 0.000 0.277 555 c C 2.640 176.675 174.090 -0.092 0.000 1.262 555 c CA 1.032 57.302 56.329 -0.098 0.000 1.733 555 c CB -1.281 41.179 42.510 -0.083 0.000 2.010 555 c HN 0.514 nan 8.230 nan 0.000 0.483 556 N N 1.191 119.830 118.700 -0.101 0.000 2.459 556 N HA -0.014 4.733 4.740 0.013 0.000 0.181 556 N C 0.950 176.398 175.510 -0.104 0.000 1.046 556 N CA 0.919 53.915 53.050 -0.091 0.000 0.904 556 N CB -0.377 38.059 38.487 -0.085 0.000 0.964 556 N HN 0.663 nan 8.380 nan 0.000 0.444 557 N N -0.601 118.021 118.700 -0.130 0.000 2.168 557 N HA 0.101 4.848 4.740 0.013 0.000 0.216 557 N C -0.599 174.814 175.510 -0.161 0.000 1.259 557 N CA 0.122 53.082 53.050 -0.150 0.000 0.902 557 N CB 1.938 40.317 38.487 -0.181 0.000 1.079 557 N HN -0.115 nan 8.380 nan 0.000 0.507 558 V N 1.784 121.612 119.914 -0.143 0.000 2.495 558 V HA 0.244 4.371 4.120 0.013 0.000 0.298 558 V C 0.402 176.437 176.094 -0.099 0.000 1.031 558 V CA -1.154 61.065 62.300 -0.135 0.000 0.871 558 V CB 2.542 34.285 31.823 -0.133 0.000 0.988 558 V HN -0.026 nan 8.190 nan 0.000 0.432 559 K N 2.746 123.092 120.400 -0.091 0.000 2.484 559 K HA 0.322 4.650 4.320 0.013 0.000 0.280 559 K C 1.197 177.771 176.600 -0.044 0.000 1.013 559 K CA 1.254 57.504 56.287 -0.063 0.000 1.029 559 K CB 0.154 32.621 32.500 -0.054 0.000 0.902 559 K HN 1.164 nan 8.250 nan 0.000 0.481 560 G N 2.875 111.654 108.800 -0.034 0.000 2.176 560 G HA2 -0.339 3.629 3.960 0.013 0.000 0.253 560 G HA3 -0.339 3.629 3.960 0.013 0.000 0.253 560 G C 0.410 175.299 174.900 -0.018 0.000 0.979 560 G CA -0.105 44.983 45.100 -0.020 0.000 0.641 560 G HN 1.176 nan 8.290 nan 0.000 0.530 561 c N 0.909 119.489 118.600 -0.033 0.000 3.563 561 c HA -0.090 4.487 4.570 0.013 0.000 0.284 561 c C -0.280 173.802 174.090 -0.013 0.000 1.356 561 c CA -0.097 56.211 56.329 -0.035 0.000 2.166 561 c CB -1.761 40.732 42.510 -0.029 0.000 1.399 561 c HN 0.799 nan 8.230 nan 0.000 0.583 562 P HA 0.180 nan 4.420 nan 0.000 0.268 562 P C -0.056 177.264 177.300 0.033 0.000 1.205 562 P CA 0.098 63.212 63.100 0.022 0.000 0.771 562 P CB 0.347 32.048 31.700 0.003 0.000 0.858 563 F N 2.499 122.427 119.950 -0.037 0.000 2.529 563 F HA 0.309 4.844 4.527 0.012 0.000 0.365 563 F C 0.411 176.186 175.800 -0.041 0.000 1.102 563 F CA 1.063 59.038 58.000 -0.042 0.000 1.271 563 F CB 0.624 39.603 39.000 -0.034 0.000 1.120 563 F HN 0.312 nan 8.300 nan 0.000 0.579 564 T N 3.651 117.549 114.554 -1.094 0.000 2.787 564 T HA 0.634 4.991 4.350 0.013 0.000 0.297 564 T C -1.431 172.639 174.700 -1.050 0.000 1.221 564 T CA -0.221 61.384 62.100 -0.825 0.000 1.006 564 T CB 1.424 70.074 68.868 -0.364 0.000 1.328 564 T HN 0.931 nan 8.240 nan 0.000 0.509 565 S N -0.062 115.302 115.700 -0.560 0.000 2.611 565 S HA 0.430 4.908 4.470 0.013 0.000 0.270 565 S C -0.853 173.608 174.600 -0.233 0.000 1.131 565 S CA -0.599 57.338 58.200 -0.438 0.000 0.826 565 S CB 0.227 63.297 63.200 -0.217 0.000 1.095 565 S HN 0.634 nan 8.310 nan 0.000 0.461 566 F N 1.846 121.702 119.950 -0.157 0.000 2.797 566 F HA 0.225 4.760 4.527 0.013 0.000 0.302 566 F C 0.986 176.536 175.800 -0.418 0.000 1.130 566 F CA -0.181 57.700 58.000 -0.197 0.000 1.387 566 F CB 0.160 39.025 39.000 -0.225 0.000 1.107 566 F HN 0.663 nan 8.300 nan 0.000 0.577 567 N N -1.766 116.850 118.700 -0.140 0.000 2.262 567 N HA 0.404 5.151 4.740 0.013 0.000 0.295 567 N C -1.175 174.354 175.510 0.032 0.000 1.161 567 N CA -0.778 52.204 53.050 -0.113 0.000 0.767 567 N CB 1.430 39.856 38.487 -0.100 0.000 1.499 567 N HN -0.274 nan 8.380 nan 0.000 0.476 568 V N 1.224 121.163 119.914 0.042 0.000 2.740 568 V HA 0.073 4.200 4.120 0.013 0.000 0.303 568 V C 0.399 176.532 176.094 0.064 0.000 1.054 568 V CA -0.087 62.254 62.300 0.067 0.000 1.106 568 V CB 0.850 32.703 31.823 0.051 0.000 0.957 568 V HN 0.669 nan 8.190 nan 0.000 0.486 569 Q N 0.000 119.840 119.800 0.067 0.000 2.315 569 Q HA 0.000 4.348 4.340 0.013 0.000 0.214 569 Q CA 0.000 55.819 55.803 0.028 0.000 1.022 569 Q CB 0.000 28.729 28.738 -0.014 0.000 1.108 569 Q HN 0.000 nan 8.270 nan 0.000 0.481