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 2c4h_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.647 174.600 0.078 0.000 1.055 4 S CA 0.000 58.230 58.200 0.050 0.000 1.107 4 S CB 0.000 63.231 63.200 0.051 0.000 0.593 5 E N 3.596 123.845 120.200 0.082 0.000 2.268 5 E HA -0.014 4.336 4.350 -0.001 0.000 0.195 5 E C 0.939 177.657 176.600 0.198 0.000 0.995 5 E CA 1.048 57.523 56.400 0.124 0.000 0.836 5 E CB 0.015 29.777 29.700 0.103 0.000 0.763 5 E HN 0.791 nan 8.360 nan 0.000 0.491 6 L N 1.023 122.329 121.223 0.139 0.000 2.592 6 L HA 0.186 4.525 4.340 -0.001 0.000 0.227 6 L C 0.474 177.509 176.870 0.274 0.000 1.127 6 L CA -0.274 54.639 54.840 0.122 0.000 0.884 6 L CB 0.318 42.359 42.059 -0.029 0.000 1.065 6 L HN 0.189 nan 8.230 nan 0.000 0.457 7 L N 1.549 122.913 121.223 0.236 0.000 2.305 7 L HA 0.555 4.894 4.340 -0.001 0.000 0.284 7 L C -0.909 176.047 176.870 0.143 0.000 1.013 7 L CA -0.223 54.742 54.840 0.207 0.000 0.819 7 L CB 1.811 43.939 42.059 0.115 0.000 1.227 7 L HN -0.278 nan 8.230 nan 0.000 0.417 8 V N 4.794 124.767 119.914 0.098 0.000 2.638 8 V HA 0.382 4.502 4.120 -0.001 0.000 0.306 8 V C -0.319 175.674 176.094 -0.170 0.000 1.052 8 V CA -0.896 61.299 62.300 -0.175 0.000 0.885 8 V CB 2.161 33.596 31.823 -0.647 0.000 0.999 8 V HN 0.797 nan 8.190 nan 0.000 0.424 9 N N 3.011 121.548 118.700 -0.271 0.000 2.426 9 N HA 0.540 5.279 4.740 -0.001 0.000 0.257 9 N C -0.109 175.019 175.510 -0.636 0.000 1.002 9 N CA -0.078 52.782 53.050 -0.317 0.000 0.942 9 N CB 1.462 39.778 38.487 -0.284 0.000 1.112 9 N HN 0.915 nan 8.380 nan 0.000 0.499 10 T N 0.206 114.485 114.554 -0.458 0.000 2.922 10 T HA 0.379 4.729 4.350 -0.001 0.000 0.281 10 T C 1.011 175.426 174.700 -0.475 0.000 1.005 10 T CA -0.535 61.244 62.100 -0.536 0.000 0.982 10 T CB 1.063 69.922 68.868 -0.016 0.000 1.158 10 T HN 0.384 nan 8.240 nan 0.000 0.566 11 K N 0.124 120.325 120.400 -0.331 0.000 2.283 11 K HA 0.027 4.346 4.320 -0.001 0.000 0.202 11 K C 2.106 178.557 176.600 -0.249 0.000 1.048 11 K CA 0.989 57.137 56.287 -0.233 0.000 0.948 11 K CB -0.077 32.355 32.500 -0.114 0.000 0.742 11 K HN 0.452 nan 8.250 nan 0.000 0.458 12 S N -0.269 115.267 115.700 -0.274 0.000 2.524 12 S HA 0.176 4.646 4.470 -0.001 0.000 0.216 12 S C 0.554 174.444 174.600 -1.184 0.000 0.987 12 S CA 0.284 58.195 58.200 -0.482 0.000 0.909 12 S CB 0.861 63.961 63.200 -0.166 0.000 0.781 12 S HN 0.540 nan 8.310 nan 0.000 0.521 13 G N 1.044 109.329 108.800 -0.859 0.000 2.359 13 G HA2 0.103 4.063 3.960 -0.001 0.000 0.303 13 G HA3 0.103 4.063 3.960 -0.001 0.000 0.303 13 G C -1.788 172.975 174.900 -0.228 0.000 1.293 13 G CA -1.186 43.392 45.100 -0.870 0.000 0.964 13 G HN 0.111 nan 8.290 nan 0.000 0.531 14 K N -0.826 119.628 120.400 0.090 0.000 2.185 14 K HA 0.619 4.938 4.320 -0.001 0.000 0.271 14 K C -0.318 176.628 176.600 0.577 0.000 1.013 14 K CA -0.552 55.892 56.287 0.261 0.000 0.943 14 K CB 2.149 34.760 32.500 0.185 0.000 0.998 14 K HN 0.774 nan 8.250 nan 0.000 0.468 15 V N 3.720 123.904 119.914 0.450 0.000 2.789 15 V HA 0.489 4.609 4.120 -0.001 0.000 0.311 15 V C -1.355 175.015 176.094 0.461 0.000 1.073 15 V CA -0.838 61.788 62.300 0.543 0.000 0.921 15 V CB 1.944 34.139 31.823 0.619 0.000 1.009 15 V HN 0.741 nan 8.190 nan 0.000 0.426 16 M N 5.445 125.290 119.600 0.408 0.000 2.085 16 M HA 0.555 5.035 4.480 -0.001 0.000 0.309 16 M C 0.276 176.682 176.300 0.177 0.000 0.947 16 M CA -0.156 55.312 55.300 0.281 0.000 0.918 16 M CB 1.010 33.701 32.600 0.153 0.000 1.504 16 M HN 0.943 nan 8.290 nan 0.000 0.420 17 G N 2.084 110.865 108.800 -0.032 0.000 2.509 17 G HA2 0.498 4.457 3.960 -0.001 0.000 0.269 17 G HA3 0.498 4.457 3.960 -0.001 0.000 0.269 17 G C -0.714 173.977 174.900 -0.348 0.000 1.416 17 G CA -0.149 44.637 45.100 -0.523 0.000 1.052 17 G HN 0.578 nan 8.290 nan 0.000 0.542 18 T N -1.765 112.550 114.554 -0.399 0.000 2.903 18 T HA 0.525 4.874 4.350 -0.001 0.000 0.299 18 T C -0.666 173.915 174.700 -0.199 0.000 1.093 18 T CA -0.728 61.235 62.100 -0.228 0.000 1.002 18 T CB 1.546 70.309 68.868 -0.175 0.000 1.127 18 T HN 0.570 nan 8.240 nan 0.000 0.488 19 R N 2.761 123.198 120.500 -0.106 0.000 2.234 19 R HA 0.620 4.959 4.340 -0.001 0.000 0.324 19 R C -0.467 175.841 176.300 0.014 0.000 1.054 19 R CA -0.518 55.560 56.100 -0.036 0.000 0.912 19 R CB 0.283 30.570 30.300 -0.023 0.000 1.030 19 R HN 0.547 nan 8.270 nan 0.000 0.455 20 V N 2.540 122.481 119.914 0.046 0.000 2.715 20 V HA 0.723 4.843 4.120 -0.001 0.000 0.310 20 V C -2.528 173.579 176.094 0.022 0.000 1.054 20 V CA -2.657 59.666 62.300 0.038 0.000 0.928 20 V CB 1.721 33.558 31.823 0.023 0.000 1.007 20 V HN 0.762 nan 8.190 nan 0.000 0.437 21 P HA 0.497 nan 4.420 nan 0.000 0.282 21 P C -1.011 176.092 177.300 -0.328 0.000 1.249 21 P CA -0.333 62.526 63.100 -0.400 0.000 0.806 21 P CB 2.127 33.640 31.700 -0.312 0.000 0.984 22 V N 5.351 125.002 119.914 -0.438 0.000 2.775 22 V HA 0.150 4.270 4.120 -0.001 0.000 0.295 22 V C -0.686 175.144 176.094 -0.440 0.000 1.226 22 V CA -0.834 61.248 62.300 -0.365 0.000 0.934 22 V CB 1.178 32.767 31.823 -0.390 0.000 1.056 22 V HN 0.293 nan 8.190 nan 0.000 0.436 23 L N 6.184 127.288 121.223 -0.199 0.000 3.879 23 L HA -0.157 4.183 4.340 -0.001 0.000 0.481 23 L C 1.168 177.914 176.870 -0.206 0.000 1.232 23 L CA 2.040 56.792 54.840 -0.148 0.000 0.736 23 L CB -2.406 39.622 42.059 -0.052 0.000 1.511 23 L HN 2.138 nan 8.230 nan 0.000 0.830 24 S N -2.678 112.908 115.700 -0.191 0.000 3.521 24 S HA -0.210 4.260 4.470 -0.001 0.000 0.328 24 S C 0.469 174.968 174.600 -0.168 0.000 1.165 24 S CA 1.532 59.645 58.200 -0.145 0.000 0.941 24 S CB -1.315 61.854 63.200 -0.053 0.000 0.951 24 S HN 1.495 nan 8.310 nan 0.000 0.539 25 S N -0.704 114.782 115.700 -0.355 0.000 2.973 25 S HA 0.857 5.327 4.470 -0.001 0.000 0.317 25 S C -1.442 172.863 174.600 -0.492 0.000 1.196 25 S CA -0.331 57.722 58.200 -0.245 0.000 0.894 25 S CB 1.086 64.122 63.200 -0.273 0.000 1.292 25 S HN 0.796 nan 8.310 nan 0.000 0.614 26 H N -0.306 118.690 119.070 -0.123 0.000 3.037 26 H HA 0.759 5.315 4.556 -0.001 0.000 0.355 26 H C -0.629 174.711 175.328 0.020 0.000 1.263 26 H CA -0.221 55.788 56.048 -0.065 0.000 1.129 26 H CB 1.368 31.115 29.762 -0.026 0.000 1.861 26 H HN 0.770 nan 8.280 nan 0.000 0.546 27 I N -2.405 118.267 120.570 0.169 0.000 3.279 27 I HA 0.719 4.888 4.170 -0.001 0.000 0.315 27 I C -1.113 175.096 176.117 0.152 0.000 1.225 27 I CA -0.989 60.426 61.300 0.193 0.000 0.947 27 I CB 2.518 40.661 38.000 0.238 0.000 1.293 27 I HN 0.399 nan 8.210 nan 0.000 0.468 28 S N 1.423 117.222 115.700 0.164 0.000 2.578 28 S HA 0.835 5.305 4.470 -0.001 0.000 0.283 28 S C -0.300 174.293 174.600 -0.011 0.000 1.195 28 S CA -0.501 57.721 58.200 0.038 0.000 1.050 28 S CB 1.516 64.785 63.200 0.116 0.000 1.012 28 S HN 0.863 nan 8.310 nan 0.000 0.511 29 A N 2.229 124.863 122.820 -0.311 0.000 2.359 29 A HA 0.767 5.087 4.320 -0.001 0.000 0.303 29 A C -1.375 175.851 177.584 -0.596 0.000 1.066 29 A CA -0.627 51.162 52.037 -0.413 0.000 0.730 29 A CB 0.450 19.219 19.000 -0.385 0.000 1.211 29 A HN 0.646 nan 8.150 nan 0.000 0.439 30 F N 2.932 122.742 119.950 -0.233 0.000 2.366 30 F HA 0.492 5.019 4.527 -0.001 0.000 0.366 30 F C -0.165 175.510 175.800 -0.208 0.000 1.096 30 F CA -0.415 57.530 58.000 -0.090 0.000 1.060 30 F CB 1.225 40.283 39.000 0.096 0.000 1.282 30 F HN 0.356 nan 8.300 nan 0.000 0.450 31 L N 2.151 123.327 121.223 -0.079 0.000 2.325 31 L HA 0.735 5.075 4.340 -0.001 0.000 0.278 31 L C 0.952 177.857 176.870 0.059 0.000 1.023 31 L CA -0.975 53.817 54.840 -0.080 0.000 0.811 31 L CB 1.604 43.531 42.059 -0.220 0.000 1.249 31 L HN 0.823 nan 8.230 nan 0.000 0.431 32 G N 2.880 111.741 108.800 0.102 0.000 2.182 32 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.248 32 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.248 32 G C -0.070 174.949 174.900 0.197 0.000 1.042 32 G CA -0.409 44.757 45.100 0.111 0.000 0.775 32 G HN 0.484 nan 8.290 nan 0.000 0.501 33 I N 2.358 122.956 120.570 0.047 0.000 2.452 33 I HA 0.211 4.380 4.170 -0.001 0.000 0.287 33 I C -1.362 174.560 176.117 -0.325 0.000 1.079 33 I CA -1.939 59.213 61.300 -0.247 0.000 1.387 33 I CB 1.000 38.816 38.000 -0.308 0.000 1.404 33 I HN -0.003 nan 8.210 nan 0.000 0.522 34 P HA 0.068 nan 4.420 nan 0.000 0.280 34 P C -0.327 176.610 177.300 -0.605 0.000 1.244 34 P CA -0.050 62.532 63.100 -0.864 0.000 0.784 34 P CB 0.714 31.787 31.700 -1.045 0.000 0.913 35 F N 0.925 120.547 119.950 -0.546 0.000 2.746 35 F HA 0.735 5.261 4.527 -0.001 0.000 0.320 35 F C 0.007 175.718 175.800 -0.149 0.000 1.097 35 F CA -0.849 56.922 58.000 -0.382 0.000 1.195 35 F CB 0.107 38.869 39.000 -0.397 0.000 1.056 35 F HN 0.358 nan 8.300 nan 0.000 0.562 36 A N 0.009 122.514 122.820 -0.524 0.000 2.609 36 A HA 0.605 4.924 4.320 -0.001 0.000 0.291 36 A C -0.911 176.488 177.584 -0.307 0.000 1.096 36 A CA -0.778 51.084 52.037 -0.291 0.000 0.684 36 A CB 1.048 19.867 19.000 -0.302 0.000 1.282 36 A HN 0.046 nan 8.150 nan 0.000 0.412 37 E N 0.819 120.930 120.200 -0.149 0.000 2.383 37 E HA 0.277 4.627 4.350 -0.001 0.000 0.264 37 E C -2.359 174.149 176.600 -0.153 0.000 1.050 37 E CA -1.430 54.903 56.400 -0.112 0.000 0.896 37 E CB 0.164 29.841 29.700 -0.038 0.000 0.982 37 E HN 0.230 nan 8.360 nan 0.000 0.424 38 P HA 0.011 nan 4.420 nan 0.000 0.261 38 P C -2.213 175.034 177.300 -0.088 0.000 1.203 38 P CA -0.698 62.334 63.100 -0.114 0.000 0.767 38 P CB 0.017 31.687 31.700 -0.050 0.000 0.785 39 P HA 0.002 nan 4.420 nan 0.000 0.226 39 P C -0.295 176.954 177.300 -0.085 0.000 1.783 39 P CA 0.166 63.219 63.100 -0.078 0.000 0.980 39 P CB -0.090 31.567 31.700 -0.071 0.000 1.967 40 V N -2.359 117.511 119.914 -0.073 0.000 3.096 40 V HA 0.906 5.025 4.120 -0.001 0.000 0.319 40 V C 0.919 176.972 176.094 -0.068 0.000 1.103 40 V CA 0.093 62.349 62.300 -0.075 0.000 1.016 40 V CB 0.840 32.628 31.823 -0.058 0.000 1.090 40 V HN 0.555 nan 8.190 nan 0.000 0.449 41 G N 2.975 111.733 108.800 -0.071 0.000 2.591 41 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.298 41 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.298 41 G C 0.480 175.334 174.900 -0.077 0.000 1.195 41 G CA 1.185 46.247 45.100 -0.064 0.000 0.989 41 G HN 2.056 nan 8.290 nan 0.000 0.551 42 N N 0.895 119.562 118.700 -0.055 0.000 2.571 42 N HA 0.151 4.891 4.740 -0.001 0.000 0.189 42 N C 1.939 177.431 175.510 -0.030 0.000 1.154 42 N CA 1.814 54.838 53.050 -0.044 0.000 0.907 42 N CB -0.153 38.319 38.487 -0.025 0.000 0.977 42 N HN 0.621 nan 8.380 nan 0.000 0.449 43 M N -0.580 118.993 119.600 -0.046 0.000 2.556 43 M HA 0.082 4.562 4.480 -0.001 0.000 0.245 43 M C 0.742 177.001 176.300 -0.068 0.000 1.128 43 M CA -0.176 55.101 55.300 -0.037 0.000 1.069 43 M CB 0.224 32.803 32.600 -0.035 0.000 1.469 43 M HN 0.110 nan 8.290 nan 0.000 0.494 44 R N 0.704 121.116 120.500 -0.148 0.000 2.489 44 R HA -0.024 4.316 4.340 -0.001 0.000 0.287 44 R C -0.456 175.663 176.300 -0.302 0.000 1.053 44 R CA 0.568 56.456 56.100 -0.352 0.000 1.036 44 R CB 0.194 30.138 30.300 -0.594 0.000 0.966 44 R HN 0.232 nan 8.270 nan 0.000 0.432 45 F N -0.327 119.625 119.950 0.003 0.000 2.656 45 F HA -0.274 4.252 4.527 -0.001 0.000 0.381 45 F C 0.417 176.200 175.800 -0.028 0.000 0.603 45 F CA 0.817 58.794 58.000 -0.037 0.000 1.335 45 F CB -1.527 37.436 39.000 -0.061 0.000 1.836 45 F HN 0.627 nan 8.300 nan 0.000 0.290 46 R N 0.620 121.191 120.500 0.118 0.000 2.543 46 R HA 0.596 4.935 4.340 -0.001 0.000 0.268 46 R C 0.603 176.934 176.300 0.052 0.000 1.067 46 R CA -0.800 55.345 56.100 0.076 0.000 1.142 46 R CB 0.639 30.970 30.300 0.052 0.000 1.110 46 R HN 0.072 nan 8.270 nan 0.000 0.549 47 R N 2.082 122.612 120.500 0.051 0.000 2.734 47 R HA 0.075 4.415 4.340 -0.001 0.000 0.266 47 R C -1.983 174.345 176.300 0.048 0.000 1.044 47 R CA -1.086 55.046 56.100 0.054 0.000 1.128 47 R CB -0.051 30.286 30.300 0.061 0.000 1.010 47 R HN 0.413 nan 8.270 nan 0.000 0.461 48 P HA 0.066 nan 4.420 nan 0.000 0.276 48 P C -0.941 176.392 177.300 0.056 0.000 1.244 48 P CA -0.047 63.084 63.100 0.053 0.000 0.801 48 P CB 0.918 32.674 31.700 0.093 0.000 1.006 49 E N 1.806 122.026 120.200 0.035 0.000 2.212 49 E HA 0.371 4.721 4.350 -0.001 0.000 0.268 49 E C -2.198 174.433 176.600 0.052 0.000 0.902 49 E CA -2.381 54.044 56.400 0.042 0.000 0.779 49 E CB 1.185 30.901 29.700 0.026 0.000 1.172 49 E HN 0.383 nan 8.360 nan 0.000 0.409 50 P HA -0.001 nan 4.420 nan 0.000 0.269 50 P C -0.191 177.161 177.300 0.087 0.000 1.209 50 P CA -0.330 62.839 63.100 0.115 0.000 0.776 50 P CB 0.678 32.453 31.700 0.126 0.000 0.876 51 K N 3.572 124.031 120.400 0.098 0.000 2.416 51 K HA 0.030 4.350 4.320 -0.001 0.000 0.283 51 K C -0.075 176.617 176.600 0.154 0.000 1.037 51 K CA 0.188 56.528 56.287 0.089 0.000 0.995 51 K CB -0.189 32.355 32.500 0.073 0.000 0.938 51 K HN 0.239 nan 8.250 nan 0.000 0.475 52 K N 6.319 126.804 120.400 0.142 0.000 2.447 52 K HA 0.079 4.399 4.320 -0.001 0.000 0.281 52 K C -2.169 174.546 176.600 0.192 0.000 1.031 52 K CA -1.383 54.987 56.287 0.139 0.000 1.019 52 K CB -0.096 32.473 32.500 0.115 0.000 0.918 52 K HN 0.487 nan 8.250 nan 0.000 0.476 53 P HA -0.095 nan 4.420 nan 0.000 0.267 53 P C -1.208 176.132 177.300 0.066 0.000 1.201 53 P CA 0.050 63.091 63.100 -0.100 0.000 0.775 53 P CB 0.266 31.870 31.700 -0.160 0.000 0.854 54 W N 0.891 122.262 121.300 0.119 0.000 2.781 54 W HA 0.677 5.337 4.660 -0.001 0.000 0.345 54 W C -0.754 175.837 176.519 0.121 0.000 1.085 54 W CA -0.992 56.441 57.345 0.147 0.000 1.198 54 W CB 0.166 29.781 29.460 0.258 0.000 1.423 54 W HN 0.361 nan 8.180 nan 0.000 0.532 55 S N 1.993 117.867 115.700 0.290 0.000 2.646 55 S HA 0.880 5.350 4.470 -0.001 0.000 0.276 55 S C 0.435 175.221 174.600 0.310 0.000 1.222 55 S CA 0.074 58.386 58.200 0.187 0.000 1.014 55 S CB 0.963 64.234 63.200 0.118 0.000 0.991 55 S HN 2.213 nan 8.310 nan 0.000 0.533 56 G N -0.327 108.607 108.800 0.224 0.000 2.698 56 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.225 56 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.225 56 G C -0.952 174.142 174.900 0.323 0.000 1.345 56 G CA -0.446 44.786 45.100 0.220 0.000 0.871 56 G HN 1.585 nan 8.290 nan 0.000 0.540 57 V N 0.773 120.831 119.914 0.241 0.000 2.398 57 V HA 0.512 4.632 4.120 -0.001 0.000 0.286 57 V C 0.294 176.521 176.094 0.220 0.000 1.026 57 V CA -0.561 61.906 62.300 0.279 0.000 0.868 57 V CB 1.768 33.692 31.823 0.169 0.000 0.982 57 V HN 0.716 nan 8.190 nan 0.000 0.443 58 W N 5.603 126.994 121.300 0.152 0.000 2.345 58 W HA 0.218 4.878 4.660 -0.001 0.000 0.308 58 W C 0.277 176.790 176.519 -0.010 0.000 1.273 58 W CA -0.413 56.867 57.345 -0.109 0.000 1.243 58 W CB 0.875 30.110 29.460 -0.375 0.000 1.260 58 W HN 0.646 nan 8.180 nan 0.000 0.509 59 N N 4.665 123.180 118.700 -0.308 0.000 2.416 59 N HA 0.155 4.894 4.740 -0.001 0.000 0.265 59 N C -0.480 175.066 175.510 0.060 0.000 1.195 59 N CA 0.308 53.286 53.050 -0.120 0.000 0.943 59 N CB 0.970 39.317 38.487 -0.233 0.000 1.115 59 N HN 0.391 nan 8.380 nan 0.000 0.481 60 A N 2.845 125.780 122.820 0.192 0.000 3.041 60 A HA 0.192 4.512 4.320 -0.001 0.000 0.307 60 A C 1.079 178.674 177.584 0.019 0.000 1.116 60 A CA -0.404 51.759 52.037 0.211 0.000 1.001 60 A CB -0.435 18.779 19.000 0.357 0.000 1.112 60 A HN 0.656 nan 8.150 nan 0.000 0.556 61 S N -0.821 114.854 115.700 -0.042 0.000 2.503 61 S HA 0.143 4.612 4.470 -0.001 0.000 0.215 61 S C 0.859 175.371 174.600 -0.147 0.000 1.003 61 S CA 0.716 58.848 58.200 -0.113 0.000 0.910 61 S CB -0.272 62.870 63.200 -0.097 0.000 0.790 61 S HN 0.847 nan 8.310 nan 0.000 0.514 62 T N -1.336 113.147 114.554 -0.119 0.000 2.896 62 T HA 0.638 4.988 4.350 -0.001 0.000 0.297 62 T C -0.899 173.761 174.700 -0.067 0.000 1.108 62 T CA -0.821 61.197 62.100 -0.136 0.000 1.004 62 T CB 0.638 69.455 68.868 -0.086 0.000 1.159 62 T HN 0.046 nan 8.240 nan 0.000 0.499 63 Y N 2.611 122.885 120.300 -0.044 0.000 2.578 63 Y HA 0.329 4.879 4.550 -0.001 0.000 0.339 63 Y C -1.450 174.390 175.900 -0.100 0.000 1.231 63 Y CA -1.349 56.727 58.100 -0.041 0.000 1.461 63 Y CB 0.072 38.529 38.460 -0.004 0.000 1.323 63 Y HN 0.526 nan 8.280 nan 0.000 0.590 64 P HA 0.110 nan 4.420 nan 0.000 0.282 64 P C -0.682 176.541 177.300 -0.129 0.000 1.287 64 P CA -0.541 62.430 63.100 -0.215 0.000 0.792 64 P CB 0.961 32.423 31.700 -0.397 0.000 1.163 65 N N 0.130 118.725 118.700 -0.175 0.000 2.371 65 N HA 0.112 4.851 4.740 -0.001 0.000 0.243 65 N C 0.037 175.521 175.510 -0.043 0.000 1.287 65 N CA 0.209 53.208 53.050 -0.086 0.000 0.911 65 N CB -0.227 38.219 38.487 -0.068 0.000 1.142 65 N HN 0.418 nan 8.380 nan 0.000 0.451 66 N N -0.862 117.807 118.700 -0.052 0.000 2.466 66 N HA 0.312 5.052 4.740 -0.001 0.000 0.294 66 N C -0.474 175.004 175.510 -0.054 0.000 1.129 66 N CA -0.697 52.319 53.050 -0.056 0.000 0.931 66 N CB 1.134 39.563 38.487 -0.095 0.000 1.193 66 N HN 0.398 nan 8.380 nan 0.000 0.500 67 c N 1.292 119.864 118.600 -0.047 0.000 2.689 67 c HA 0.034 4.604 4.570 -0.001 0.000 0.409 67 c C 0.683 174.700 174.090 -0.122 0.000 1.293 67 c CA -0.521 55.761 56.329 -0.078 0.000 2.136 67 c CB -0.138 42.355 42.510 -0.029 0.000 2.719 67 c HN 0.531 nan 8.230 nan 0.000 0.644 68 Q N 2.470 122.117 119.800 -0.255 0.000 2.330 68 Q HA 0.240 4.580 4.340 -0.001 0.000 0.279 68 Q C -0.053 175.915 176.000 -0.053 0.000 1.024 68 Q CA 0.934 56.578 55.803 -0.266 0.000 0.900 68 Q CB 0.553 28.890 28.738 -0.668 0.000 1.221 68 Q HN 0.895 nan 8.270 nan 0.000 0.396 69 Q N 1.078 120.934 119.800 0.093 0.000 2.702 69 Q HA 0.285 4.624 4.340 -0.001 0.000 0.289 69 Q C -1.333 174.860 176.000 0.322 0.000 0.923 69 Q CA -0.992 54.964 55.803 0.256 0.000 0.787 69 Q CB 0.641 29.494 28.738 0.191 0.000 1.476 69 Q HN 0.473 nan 8.270 nan 0.000 0.402 70 Y N 0.975 121.483 120.300 0.347 0.000 2.597 70 Y HA 0.374 4.924 4.550 -0.001 0.000 0.336 70 Y C -1.003 175.087 175.900 0.317 0.000 1.216 70 Y CA 0.296 58.629 58.100 0.388 0.000 1.463 70 Y CB 0.940 39.758 38.460 0.596 0.000 1.303 70 Y HN 0.439 nan 8.280 nan 0.000 0.576 71 V N 6.563 126.242 119.914 -0.392 0.000 2.417 71 V HA 0.133 4.252 4.120 -0.001 0.000 0.291 71 V C -0.634 175.176 176.094 -0.473 0.000 1.024 71 V CA -1.061 61.084 62.300 -0.258 0.000 0.861 71 V CB 1.468 33.215 31.823 -0.127 0.000 0.985 71 V HN 0.765 nan 8.190 nan 0.000 0.436 72 D N 3.840 124.192 120.400 -0.079 0.000 2.346 72 D HA 0.113 4.753 4.640 -0.001 0.000 0.260 72 D C 0.352 176.706 176.300 0.089 0.000 1.252 72 D CA 0.274 54.341 54.000 0.112 0.000 0.895 72 D CB 1.058 42.099 40.800 0.402 0.000 1.097 72 D HN 0.656 nan 8.370 nan 0.000 0.489 73 E N 2.414 122.622 120.200 0.014 0.000 2.789 73 E HA 0.022 4.372 4.350 -0.001 0.000 0.208 73 E C 0.990 177.553 176.600 -0.062 0.000 0.988 73 E CA -0.123 56.278 56.400 0.001 0.000 1.092 73 E CB 0.549 30.225 29.700 -0.040 0.000 1.066 73 E HN 0.436 nan 8.360 nan 0.000 0.465 74 Q N -0.240 119.485 119.800 -0.125 0.000 2.084 74 Q HA -0.062 4.277 4.340 -0.001 0.000 0.202 74 Q C -0.338 175.182 176.000 -0.800 0.000 0.978 74 Q CA 1.320 56.777 55.803 -0.577 0.000 0.844 74 Q CB 0.234 28.410 28.738 -0.937 0.000 0.898 74 Q HN 0.156 nan 8.270 nan 0.000 0.426 75 F N 0.252 120.240 119.950 0.064 0.000 2.660 75 F HA 0.415 4.941 4.527 -0.001 0.000 0.352 75 F C -2.308 173.553 175.800 0.102 0.000 1.257 75 F CA -3.034 54.989 58.000 0.039 0.000 1.200 75 F CB 1.141 40.152 39.000 0.019 0.000 1.473 75 F HN -0.120 nan 8.300 nan 0.000 0.561 76 P HA 0.118 nan 4.420 nan 0.000 0.260 76 P C 1.031 178.413 177.300 0.137 0.000 1.172 76 P CA 1.364 64.535 63.100 0.117 0.000 0.760 76 P CB 0.672 32.405 31.700 0.056 0.000 0.773 77 G N 2.506 111.375 108.800 0.115 0.000 2.212 77 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.266 77 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.266 77 G C 0.040 175.012 174.900 0.119 0.000 0.978 77 G CA -0.355 44.797 45.100 0.086 0.000 0.632 77 G HN 0.537 nan 8.290 nan 0.000 0.537 78 F N 3.043 122.991 119.950 -0.004 0.000 2.467 78 F HA 0.522 5.049 4.527 -0.001 0.000 0.362 78 F C 1.661 177.403 175.800 -0.097 0.000 1.090 78 F CA -0.170 57.778 58.000 -0.087 0.000 1.202 78 F CB 1.209 40.141 39.000 -0.114 0.000 1.113 78 F HN 0.230 nan 8.300 nan 0.000 0.541 79 S N 3.431 118.726 115.700 -0.675 0.000 2.402 79 S HA -0.077 4.392 4.470 -0.001 0.000 0.229 79 S C 2.194 176.367 174.600 -0.710 0.000 1.021 79 S CA 0.852 58.704 58.200 -0.581 0.000 0.974 79 S CB -1.164 61.753 63.200 -0.472 0.000 0.800 79 S HN 0.829 nan 8.310 nan 0.000 0.484 80 G N 1.704 109.607 108.800 -1.496 0.000 2.442 80 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.219 80 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.219 80 G C 1.734 176.803 174.900 0.282 0.000 1.141 80 G CA 1.397 45.940 45.100 -0.927 0.000 0.763 80 G HN 0.812 nan 8.290 nan 0.000 0.554 81 S N -0.543 115.342 115.700 0.309 0.000 2.502 81 S HA 0.139 4.609 4.470 -0.001 0.000 0.228 81 S C 1.817 176.698 174.600 0.469 0.000 1.061 81 S CA 0.519 59.226 58.200 0.844 0.000 0.935 81 S CB 0.024 63.860 63.200 1.060 0.000 0.809 81 S HN 0.204 nan 8.310 nan 0.000 0.510 82 E N 2.392 122.704 120.200 0.186 0.000 2.204 82 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 82 E C 2.030 178.586 176.600 -0.073 0.000 0.990 82 E CA 1.244 57.683 56.400 0.065 0.000 0.821 82 E CB -0.477 29.223 29.700 -0.000 0.000 0.750 82 E HN 0.875 nan 8.360 nan 0.000 0.477 83 M N -2.623 116.838 119.600 -0.231 0.000 2.549 83 M HA -0.040 4.440 4.480 -0.001 0.000 0.260 83 M C 1.166 177.088 176.300 -0.629 0.000 1.076 83 M CA 1.228 56.232 55.300 -0.493 0.000 1.090 83 M CB -0.401 31.781 32.600 -0.696 0.000 1.418 83 M HN -0.016 nan 8.290 nan 0.000 0.486 84 W N 0.805 122.050 121.300 -0.091 0.000 3.013 84 W HA 0.280 4.940 4.660 -0.001 0.000 0.280 84 W C 0.508 176.958 176.519 -0.116 0.000 1.249 84 W CA -0.900 56.361 57.345 -0.140 0.000 1.577 84 W CB -0.038 29.369 29.460 -0.088 0.000 1.057 84 W HN 0.103 nan 8.180 nan 0.000 0.613 85 N N 1.481 120.243 118.700 0.103 0.000 2.399 85 N HA 0.124 4.864 4.740 -0.001 0.000 0.250 85 N C -2.492 172.993 175.510 -0.042 0.000 1.272 85 N CA -1.370 51.709 53.050 0.049 0.000 0.928 85 N CB -0.326 38.193 38.487 0.054 0.000 1.158 85 N HN -0.354 nan 8.380 nan 0.000 0.463 86 P HA 0.075 nan 4.420 nan 0.000 0.267 86 P C 0.037 177.287 177.300 -0.084 0.000 1.205 86 P CA 0.165 63.214 63.100 -0.085 0.000 0.765 86 P CB 0.112 31.773 31.700 -0.065 0.000 0.828 87 N N 1.806 120.440 118.700 -0.110 0.000 2.203 87 N HA 0.094 4.834 4.740 -0.001 0.000 0.207 87 N C 0.411 175.881 175.510 -0.066 0.000 1.130 87 N CA -0.548 52.447 53.050 -0.092 0.000 0.861 87 N CB 0.416 38.835 38.487 -0.113 0.000 1.005 87 N HN 0.122 nan 8.380 nan 0.000 0.507 88 R N 1.204 121.662 120.500 -0.071 0.000 3.018 88 R HA 0.251 4.591 4.340 -0.001 0.000 0.243 88 R C -0.423 175.847 176.300 -0.050 0.000 1.315 88 R CA -0.694 55.377 56.100 -0.050 0.000 1.039 88 R CB 0.646 30.916 30.300 -0.050 0.000 1.315 88 R HN 0.357 nan 8.270 nan 0.000 0.492 89 E N 0.929 121.102 120.200 -0.046 0.000 2.366 89 E HA 0.227 4.577 4.350 -0.001 0.000 0.266 89 E C -0.512 176.056 176.600 -0.053 0.000 1.051 89 E CA -0.144 56.229 56.400 -0.046 0.000 0.884 89 E CB 0.759 30.432 29.700 -0.044 0.000 1.006 89 E HN 0.256 nan 8.360 nan 0.000 0.417 90 M N 2.583 122.152 119.600 -0.053 0.000 2.277 90 M HA 0.306 4.786 4.480 -0.001 0.000 0.350 90 M C -0.324 175.929 176.300 -0.077 0.000 1.180 90 M CA -0.355 54.905 55.300 -0.066 0.000 1.103 90 M CB 1.641 34.204 32.600 -0.062 0.000 1.577 90 M HN 0.667 nan 8.290 nan 0.000 0.459 91 S N 0.542 116.183 115.700 -0.098 0.000 2.552 91 S HA 0.218 4.688 4.470 -0.001 0.000 0.272 91 S C -0.010 174.502 174.600 -0.146 0.000 1.150 91 S CA -0.682 57.455 58.200 -0.105 0.000 0.849 91 S CB 1.432 64.597 63.200 -0.058 0.000 1.113 91 S HN 0.831 nan 8.310 nan 0.000 0.458 92 E N 0.859 120.951 120.200 -0.179 0.000 2.347 92 E HA -0.065 4.285 4.350 -0.001 0.000 0.196 92 E C -0.304 176.232 176.600 -0.107 0.000 1.008 92 E CA 0.469 56.741 56.400 -0.213 0.000 0.852 92 E CB 0.086 29.657 29.700 -0.215 0.000 0.783 92 E HN 0.510 nan 8.360 nan 0.000 0.505 93 D N 0.547 120.918 120.400 -0.047 0.000 2.517 93 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 93 D C 0.089 176.474 176.300 0.142 0.000 1.158 93 D CA -0.290 53.727 54.000 0.030 0.000 0.992 93 D CB -0.121 40.718 40.800 0.064 0.000 1.058 93 D HN 0.135 nan 8.370 nan 0.000 0.516 94 c N 2.200 120.856 118.600 0.094 0.000 3.657 94 c HA 0.391 4.960 4.570 -0.001 0.000 0.291 94 c C 0.657 174.843 174.090 0.160 0.000 1.572 94 c CA -0.706 55.738 56.329 0.192 0.000 1.818 94 c CB -1.290 41.257 42.510 0.062 0.000 2.903 94 c HN 0.404 nan 8.230 nan 0.000 0.632 95 L N 2.571 123.648 121.223 -0.243 0.000 2.404 95 L HA 0.418 4.757 4.340 -0.001 0.000 0.277 95 L C -0.856 175.300 176.870 -1.189 0.000 1.184 95 L CA 0.536 54.965 54.840 -0.685 0.000 1.013 95 L CB -0.679 40.809 42.059 -0.952 0.000 1.318 95 L HN 0.363 nan 8.230 nan 0.000 0.435 96 Y N 2.190 122.362 120.300 -0.213 0.000 2.638 96 Y HA 0.694 5.243 4.550 -0.001 0.000 0.339 96 Y C -0.146 175.908 175.900 0.256 0.000 1.084 96 Y CA -1.295 56.771 58.100 -0.058 0.000 1.068 96 Y CB 1.904 40.331 38.460 -0.054 0.000 1.294 96 Y HN 0.212 nan 8.280 nan 0.000 0.480 97 L N -0.526 120.867 121.223 0.282 0.000 2.350 97 L HA 0.783 5.123 4.340 -0.001 0.000 0.260 97 L C -1.572 175.346 176.870 0.079 0.000 1.015 97 L CA -1.091 53.851 54.840 0.170 0.000 0.821 97 L CB 2.083 44.147 42.059 0.009 0.000 1.370 97 L HN 0.570 nan 8.230 nan 0.000 0.416 98 N N 1.065 119.820 118.700 0.091 0.000 2.272 98 N HA 0.853 5.593 4.740 -0.001 0.000 0.305 98 N C -1.390 174.043 175.510 -0.129 0.000 1.103 98 N CA -0.620 52.392 53.050 -0.063 0.000 0.791 98 N CB 2.567 41.019 38.487 -0.058 0.000 1.356 98 N HN 0.600 nan 8.380 nan 0.000 0.486 99 I N 0.295 120.688 120.570 -0.295 0.000 2.534 99 I HA 0.345 4.515 4.170 -0.001 0.000 0.288 99 I C -1.042 174.985 176.117 -0.150 0.000 1.077 99 I CA -0.641 60.589 61.300 -0.116 0.000 1.051 99 I CB 1.850 39.741 38.000 -0.182 0.000 1.234 99 I HN 0.360 nan 8.210 nan 0.000 0.425 100 W N 5.950 127.385 121.300 0.225 0.000 2.329 100 W HA 0.560 5.219 4.660 -0.001 0.000 0.312 100 W C -0.960 175.701 176.519 0.237 0.000 1.054 100 W CA -0.643 56.831 57.345 0.216 0.000 1.245 100 W CB 2.092 31.645 29.460 0.155 0.000 1.255 100 W HN 0.095 nan 8.180 nan 0.000 0.436 101 V N 5.410 125.589 119.914 0.440 0.000 2.448 101 V HA 0.281 4.401 4.120 -0.001 0.000 0.295 101 V C -1.960 174.331 176.094 0.329 0.000 1.025 101 V CA -2.393 60.142 62.300 0.391 0.000 0.859 101 V CB 1.791 33.910 31.823 0.494 0.000 0.988 101 V HN 0.248 nan 8.190 nan 0.000 0.431 102 P HA 0.091 nan 4.420 nan 0.000 0.269 102 P C -0.518 176.913 177.300 0.219 0.000 1.217 102 P CA 0.259 63.499 63.100 0.234 0.000 0.783 102 P CB 0.514 32.318 31.700 0.174 0.000 0.898 103 S N 1.363 117.189 115.700 0.209 0.000 2.561 103 S HA 0.550 5.019 4.470 -0.001 0.000 0.303 103 S C -2.479 172.210 174.600 0.149 0.000 1.110 103 S CA -1.554 56.751 58.200 0.175 0.000 1.034 103 S CB 0.181 63.484 63.200 0.172 0.000 1.010 103 S HN 0.256 nan 8.310 nan 0.000 0.482 104 P HA 0.201 nan 4.420 nan 0.000 0.272 104 P C -0.468 176.907 177.300 0.124 0.000 1.223 104 P CA -0.618 62.548 63.100 0.111 0.000 0.784 104 P CB 0.426 32.176 31.700 0.083 0.000 0.923 105 R N 2.280 122.862 120.500 0.136 0.000 2.523 105 R HA 0.039 4.378 4.340 -0.001 0.000 0.281 105 R C -1.923 174.445 176.300 0.113 0.000 0.969 105 R CA -0.636 55.553 56.100 0.149 0.000 1.093 105 R CB -0.450 29.939 30.300 0.147 0.000 0.917 105 R HN 0.372 nan 8.270 nan 0.000 0.408 106 P HA 0.112 nan 4.420 nan 0.000 0.286 106 P C -0.235 177.104 177.300 0.065 0.000 1.293 106 P CA -0.388 62.763 63.100 0.084 0.000 0.770 106 P CB 0.680 32.433 31.700 0.089 0.000 1.206 107 K N -1.057 119.368 120.400 0.042 0.000 2.329 107 K HA 0.187 4.507 4.320 -0.001 0.000 0.198 107 K C 0.465 177.067 176.600 0.005 0.000 1.085 107 K CA 0.793 57.093 56.287 0.021 0.000 0.961 107 K CB -0.068 32.440 32.500 0.013 0.000 0.971 107 K HN 0.342 nan 8.250 nan 0.000 0.502 108 S N 1.083 116.789 115.700 0.009 0.000 2.777 108 S HA 0.155 4.624 4.470 -0.001 0.000 0.140 108 S C -1.092 173.513 174.600 0.008 0.000 1.233 108 S CA -0.386 57.812 58.200 -0.004 0.000 1.157 108 S CB 0.256 63.443 63.200 -0.022 0.000 1.600 108 S HN 0.101 nan 8.310 nan 0.000 0.432 109 T N 1.881 116.452 114.554 0.027 0.000 2.948 109 T HA 0.590 4.940 4.350 -0.001 0.000 0.285 109 T C 0.164 174.883 174.700 0.031 0.000 1.019 109 T CA -0.023 62.095 62.100 0.031 0.000 1.013 109 T CB 1.274 70.171 68.868 0.049 0.000 1.117 109 T HN 0.472 nan 8.240 nan 0.000 0.533 110 T N 2.329 116.897 114.554 0.023 0.000 2.933 110 T HA 0.286 4.635 4.350 -0.001 0.000 0.306 110 T C -0.265 174.462 174.700 0.045 0.000 1.045 110 T CA -0.102 62.009 62.100 0.019 0.000 1.143 110 T CB 0.134 69.001 68.868 -0.001 0.000 1.003 110 T HN 0.406 nan 8.240 nan 0.000 0.540 111 V N 4.980 124.926 119.914 0.053 0.000 2.555 111 V HA 0.534 4.653 4.120 -0.001 0.000 0.302 111 V C -0.045 176.106 176.094 0.096 0.000 1.038 111 V CA -0.795 61.559 62.300 0.089 0.000 0.887 111 V CB 1.807 33.688 31.823 0.097 0.000 0.991 111 V HN 0.832 nan 8.190 nan 0.000 0.434 112 M N 4.269 123.952 119.600 0.139 0.000 2.259 112 M HA 0.562 5.042 4.480 -0.001 0.000 0.304 112 M C -1.348 175.195 176.300 0.405 0.000 1.019 112 M CA -0.608 54.793 55.300 0.169 0.000 0.922 112 M CB 2.265 34.836 32.600 -0.049 0.000 1.600 112 M HN 0.366 nan 8.290 nan 0.000 0.433 113 V N 3.009 123.203 119.914 0.467 0.000 2.384 113 V HA 0.349 4.468 4.120 -0.001 0.000 0.287 113 V C -0.820 175.574 176.094 0.499 0.000 1.020 113 V CA -0.632 61.922 62.300 0.424 0.000 0.850 113 V CB 1.534 33.475 31.823 0.196 0.000 0.987 113 V HN 0.863 nan 8.190 nan 0.000 0.436 114 W N 6.918 128.311 121.300 0.154 0.000 2.351 114 W HA 0.623 5.283 4.660 -0.001 0.000 0.311 114 W C -1.300 175.101 176.519 -0.196 0.000 1.168 114 W CA -0.732 56.440 57.345 -0.289 0.000 1.200 114 W CB 1.186 30.520 29.460 -0.209 0.000 1.221 114 W HN 0.446 nan 8.180 nan 0.000 0.519 115 I N 9.164 129.115 120.570 -1.032 0.000 2.382 115 I HA 0.068 4.238 4.170 -0.001 0.000 0.285 115 I C -0.243 175.118 176.117 -1.260 0.000 1.007 115 I CA -1.135 59.649 61.300 -0.861 0.000 1.142 115 I CB 0.730 38.394 38.000 -0.560 0.000 1.289 115 I HN 0.293 nan 8.210 nan 0.000 0.453 116 Y N 4.633 124.484 120.300 -0.747 0.000 2.457 116 Y HA 0.643 5.193 4.550 -0.001 0.000 0.341 116 Y C 0.758 176.487 175.900 -0.284 0.000 1.240 116 Y CA -0.869 56.897 58.100 -0.557 0.000 1.437 116 Y CB -0.111 38.270 38.460 -0.131 0.000 1.328 116 Y HN 0.534 nan 8.280 nan 0.000 0.588 117 G N -0.612 108.202 108.800 0.023 0.000 2.606 117 G HA2 0.488 4.447 3.960 -0.001 0.000 0.262 117 G HA3 0.488 4.447 3.960 -0.001 0.000 0.262 117 G C 0.321 175.171 174.900 -0.084 0.000 1.394 117 G CA -0.907 44.138 45.100 -0.091 0.000 1.044 117 G HN 1.737 nan 8.290 nan 0.000 0.553 118 G N -2.883 105.722 108.800 -0.324 0.000 2.207 118 G HA2 0.401 4.360 3.960 -0.001 0.000 0.193 118 G HA3 0.401 4.360 3.960 -0.001 0.000 0.193 118 G C 1.053 175.407 174.900 -0.911 0.000 1.050 118 G CA 0.704 45.476 45.100 -0.547 0.000 0.780 118 G HN 2.311 nan 8.290 nan 0.000 0.504 119 G N -0.465 107.848 108.800 -0.811 0.000 2.233 119 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.270 119 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.270 119 G C 0.938 175.664 174.900 -0.289 0.000 1.011 119 G CA 0.821 45.320 45.100 -1.001 0.000 0.762 119 G HN 1.747 nan 8.290 nan 0.000 0.511 120 F N -3.470 116.413 119.950 -0.111 0.000 2.890 120 F HA -0.335 4.192 4.527 -0.001 0.000 0.346 120 F C 1.540 177.452 175.800 0.187 0.000 0.660 120 F CA 2.261 60.305 58.000 0.073 0.000 1.091 120 F CB -2.037 36.864 39.000 -0.165 0.000 1.535 120 F HN 0.880 nan 8.300 nan 0.000 0.314 121 Y N -0.950 119.446 120.300 0.160 0.000 2.445 121 Y HA 0.644 5.193 4.550 -0.001 0.000 0.247 121 Y C 0.694 176.714 175.900 0.200 0.000 1.129 121 Y CA 0.248 58.459 58.100 0.184 0.000 1.251 121 Y CB -0.041 38.441 38.460 0.038 0.000 1.176 121 Y HN 0.091 nan 8.280 nan 0.000 0.522 122 S N -0.853 114.638 115.700 -0.348 0.000 2.727 122 S HA 0.883 5.353 4.470 -0.001 0.000 0.278 122 S C -0.235 174.200 174.600 -0.275 0.000 1.186 122 S CA -0.510 57.552 58.200 -0.229 0.000 0.836 122 S CB 1.440 64.472 63.200 -0.280 0.000 1.186 122 S HN 1.285 nan 8.310 nan 0.000 0.499 123 G N -0.355 108.248 108.800 -0.328 0.000 2.453 123 G HA2 0.425 4.384 3.960 -0.001 0.000 0.665 123 G HA3 0.425 4.384 3.960 -0.001 0.000 0.665 123 G C -1.063 173.170 174.900 -1.112 0.000 1.411 123 G CA -0.327 44.384 45.100 -0.649 0.000 0.889 123 G HN 1.304 nan 8.290 nan 0.000 0.651 124 S N -0.816 114.253 115.700 -1.051 0.000 2.546 124 S HA 0.706 5.175 4.470 -0.001 0.000 0.274 124 S C 0.964 175.425 174.600 -0.233 0.000 1.121 124 S CA 0.090 57.894 58.200 -0.659 0.000 0.887 124 S CB 1.830 64.854 63.200 -0.295 0.000 1.094 124 S HN 1.937 nan 8.310 nan 0.000 0.474 125 S N -0.095 115.665 115.700 0.101 0.000 2.558 125 S HA -0.045 4.425 4.470 -0.001 0.000 0.217 125 S C 1.372 176.080 174.600 0.181 0.000 0.975 125 S CA 0.803 59.248 58.200 0.408 0.000 0.912 125 S CB -0.567 62.904 63.200 0.451 0.000 0.776 125 S HN 0.828 nan 8.310 nan 0.000 0.526 126 T N 0.206 114.668 114.554 -0.153 0.000 3.086 126 T HA 0.395 4.745 4.350 -0.001 0.000 0.250 126 T C 0.561 174.988 174.700 -0.456 0.000 1.074 126 T CA -0.520 61.181 62.100 -0.664 0.000 0.988 126 T CB -0.610 67.720 68.868 -0.897 0.000 0.988 126 T HN 0.323 nan 8.240 nan 0.000 0.530 127 L N 2.054 123.108 121.223 -0.282 0.000 2.499 127 L HA 0.123 4.463 4.340 -0.001 0.000 0.281 127 L C 1.345 177.997 176.870 -0.362 0.000 1.234 127 L CA -0.442 54.149 54.840 -0.414 0.000 0.839 127 L CB 0.328 41.936 42.059 -0.751 0.000 1.104 127 L HN 0.085 nan 8.230 nan 0.000 0.500 128 D N 1.134 121.335 120.400 -0.331 0.000 2.144 128 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 128 D C 1.896 178.015 176.300 -0.302 0.000 0.984 128 D CA 0.990 54.858 54.000 -0.221 0.000 0.834 128 D CB 0.117 40.799 40.800 -0.197 0.000 0.955 128 D HN 0.377 nan 8.370 nan 0.000 0.465 129 V N 0.266 119.858 119.914 -0.537 0.000 3.305 129 V HA -0.177 3.942 4.120 -0.001 0.000 0.269 129 V C 0.540 176.201 176.094 -0.721 0.000 1.157 129 V CA 1.033 62.980 62.300 -0.589 0.000 1.157 129 V CB -0.537 30.836 31.823 -0.750 0.000 0.772 129 V HN 0.136 nan 8.190 nan 0.000 0.498 130 Y N -0.850 119.016 120.300 -0.723 0.000 2.507 130 Y HA 0.405 4.954 4.550 -0.001 0.000 0.254 130 Y C 1.048 176.572 175.900 -0.627 0.000 1.171 130 Y CA -1.435 55.961 58.100 -1.174 0.000 1.238 130 Y CB -0.755 37.298 38.460 -0.678 0.000 1.148 130 Y HN 0.197 nan 8.280 nan 0.000 0.525 131 N N 1.539 120.098 118.700 -0.235 0.000 2.429 131 N HA -0.033 4.707 4.740 -0.001 0.000 0.271 131 N C 1.280 176.466 175.510 -0.541 0.000 1.272 131 N CA 0.675 53.524 53.050 -0.335 0.000 0.921 131 N CB 1.149 39.536 38.487 -0.165 0.000 1.128 131 N HN 0.482 nan 8.380 nan 0.000 0.481 132 G N 3.366 111.325 108.800 -1.402 0.000 2.920 132 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.208 132 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.208 132 G C 1.454 175.830 174.900 -0.873 0.000 1.159 132 G CA 0.220 44.784 45.100 -0.894 0.000 0.784 132 G HN 0.750 nan 8.290 nan 0.000 0.535 133 K N -0.286 119.366 120.400 -1.246 0.000 2.057 133 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 133 K C 1.761 178.169 176.600 -0.320 0.000 1.049 133 K CA 1.196 57.104 56.287 -0.632 0.000 0.931 133 K CB -0.586 31.579 32.500 -0.560 0.000 0.714 133 K HN 0.288 nan 8.250 nan 0.000 0.440 134 Y N 1.183 121.410 120.300 -0.122 0.000 2.181 134 Y HA -0.159 4.390 4.550 -0.001 0.000 0.288 134 Y C 2.360 178.260 175.900 -0.000 0.000 1.146 134 Y CA 0.816 58.899 58.100 -0.028 0.000 1.164 134 Y CB -0.659 37.755 38.460 -0.077 0.000 0.982 134 Y HN 0.053 nan 8.280 nan 0.000 0.515 135 L N 0.016 121.274 121.223 0.057 0.000 2.072 135 L HA 0.019 4.358 4.340 -0.001 0.000 0.205 135 L C 2.377 179.264 176.870 0.029 0.000 1.079 135 L CA 1.764 56.595 54.840 -0.015 0.000 0.752 135 L CB -1.250 40.713 42.059 -0.159 0.000 0.906 135 L HN 0.137 nan 8.230 nan 0.000 0.436 136 A N -1.347 121.509 122.820 0.059 0.000 1.902 136 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 136 A C 2.301 179.978 177.584 0.154 0.000 1.181 136 A CA 2.006 54.126 52.037 0.139 0.000 0.623 136 A CB -1.119 18.027 19.000 0.244 0.000 0.818 136 A HN 0.611 nan 8.150 nan 0.000 0.443 137 Y N 0.991 121.321 120.300 0.050 0.000 2.153 137 Y HA -0.125 4.424 4.550 -0.001 0.000 0.289 137 Y C 2.625 178.553 175.900 0.046 0.000 1.127 137 Y CA 2.296 60.428 58.100 0.054 0.000 1.131 137 Y CB -0.771 37.709 38.460 0.035 0.000 0.995 137 Y HN 0.274 nan 8.280 nan 0.000 0.505 138 T N 0.501 115.003 114.554 -0.087 0.000 2.788 138 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 138 T C 1.262 175.879 174.700 -0.140 0.000 1.044 138 T CA 1.746 63.737 62.100 -0.181 0.000 1.139 138 T CB -0.105 68.762 68.868 -0.002 0.000 0.867 138 T HN 0.336 nan 8.240 nan 0.000 0.454 139 E N 0.257 120.426 120.200 -0.050 0.000 2.498 139 E HA 0.101 4.451 4.350 -0.001 0.000 0.203 139 E C 0.086 176.688 176.600 0.002 0.000 1.013 139 E CA 0.017 56.418 56.400 0.002 0.000 0.927 139 E CB 0.312 30.035 29.700 0.039 0.000 1.012 139 E HN 0.269 nan 8.360 nan 0.000 0.482 140 E N 0.282 120.473 120.200 -0.016 0.000 2.271 140 E HA -0.141 4.208 4.350 -0.001 0.000 0.223 140 E C -0.424 176.207 176.600 0.051 0.000 1.223 140 E CA 0.586 56.997 56.400 0.017 0.000 0.704 140 E CB -1.958 27.743 29.700 0.003 0.000 1.194 140 E HN 0.173 nan 8.360 nan 0.000 0.375 141 V N -3.523 116.435 119.914 0.073 0.000 3.001 141 V HA 0.737 4.856 4.120 -0.001 0.000 0.314 141 V C 0.417 176.595 176.094 0.139 0.000 1.099 141 V CA -1.092 61.259 62.300 0.085 0.000 0.989 141 V CB 2.591 34.449 31.823 0.057 0.000 1.040 141 V HN -0.085 nan 8.190 nan 0.000 0.434 142 V N 4.171 124.175 119.914 0.150 0.000 2.368 142 V HA 0.330 4.449 4.120 -0.001 0.000 0.266 142 V C -0.047 176.183 176.094 0.227 0.000 1.045 142 V CA -0.361 62.059 62.300 0.200 0.000 0.899 142 V CB 1.061 32.987 31.823 0.172 0.000 1.006 142 V HN 0.763 nan 8.190 nan 0.000 0.470 143 L N 7.599 129.013 121.223 0.319 0.000 2.264 143 L HA 0.594 4.934 4.340 -0.001 0.000 0.289 143 L C -0.432 176.739 176.870 0.501 0.000 1.044 143 L CA 0.170 55.246 54.840 0.394 0.000 0.807 143 L CB 1.649 43.935 42.059 0.379 0.000 1.192 143 L HN 0.399 nan 8.230 nan 0.000 0.425 144 V N 3.985 124.160 119.914 0.435 0.000 2.581 144 V HA 0.583 4.702 4.120 -0.001 0.000 0.303 144 V C 0.039 176.413 176.094 0.466 0.000 1.041 144 V CA -0.606 61.920 62.300 0.377 0.000 0.907 144 V CB 2.064 34.025 31.823 0.230 0.000 0.994 144 V HN 0.906 nan 8.190 nan 0.000 0.442 145 S N 4.797 120.774 115.700 0.462 0.000 2.605 145 S HA 0.818 5.287 4.470 -0.001 0.000 0.308 145 S C -0.845 173.943 174.600 0.313 0.000 1.113 145 S CA -0.758 57.733 58.200 0.483 0.000 1.049 145 S CB 1.490 65.083 63.200 0.655 0.000 1.001 145 S HN 0.704 nan 8.310 nan 0.000 0.480 146 L N 1.036 122.379 121.223 0.199 0.000 2.492 146 L HA 1.013 5.352 4.340 -0.001 0.000 0.263 146 L C 0.090 177.083 176.870 0.205 0.000 1.062 146 L CA -0.693 54.220 54.840 0.123 0.000 0.817 146 L CB 0.336 42.347 42.059 -0.080 0.000 1.441 146 L HN 0.886 nan 8.230 nan 0.000 0.493 147 S N -1.574 114.299 115.700 0.289 0.000 2.618 147 S HA 0.889 5.358 4.470 -0.001 0.000 0.277 147 S C -1.298 173.540 174.600 0.398 0.000 1.138 147 S CA -0.530 57.871 58.200 0.335 0.000 0.844 147 S CB 1.520 64.978 63.200 0.431 0.000 1.127 147 S HN 1.208 nan 8.310 nan 0.000 0.474 148 Y N -1.650 118.770 120.300 0.199 0.000 2.592 148 Y HA 0.683 5.233 4.550 -0.001 0.000 0.334 148 Y C -0.737 175.304 175.900 0.236 0.000 1.136 148 Y CA -1.395 56.819 58.100 0.189 0.000 1.042 148 Y CB 0.722 39.243 38.460 0.101 0.000 1.325 148 Y HN 0.776 nan 8.280 nan 0.000 0.457 149 R N 1.851 122.509 120.500 0.264 0.000 2.570 149 R HA 0.506 4.846 4.340 -0.001 0.000 0.277 149 R C -0.175 176.319 176.300 0.323 0.000 1.039 149 R CA -0.068 56.144 56.100 0.188 0.000 1.065 149 R CB 0.811 31.185 30.300 0.123 0.000 0.964 149 R HN 0.694 nan 8.270 nan 0.000 0.428 150 V N -0.155 119.967 119.914 0.346 0.000 3.181 150 V HA 0.893 5.012 4.120 -0.001 0.000 0.314 150 V C 0.720 177.159 176.094 0.576 0.000 1.173 150 V CA -0.166 62.460 62.300 0.544 0.000 1.052 150 V CB 1.144 33.177 31.823 0.349 0.000 1.123 150 V HN 0.977 nan 8.190 nan 0.000 0.454 151 G N 0.299 109.472 108.800 0.622 0.000 2.601 151 G HA2 0.045 4.005 3.960 -0.001 0.000 0.261 151 G HA3 0.045 4.005 3.960 -0.001 0.000 0.261 151 G C 0.977 176.094 174.900 0.362 0.000 1.289 151 G CA 0.853 46.272 45.100 0.532 0.000 0.920 151 G HN 2.224 nan 8.290 nan 0.000 0.571 152 A N -1.353 121.381 122.820 -0.145 0.000 2.019 152 A HA 0.245 4.564 4.320 -0.001 0.000 0.219 152 A C 2.208 179.691 177.584 -0.169 0.000 1.164 152 A CA 2.447 54.041 52.037 -0.739 0.000 0.644 152 A CB -0.481 17.828 19.000 -1.152 0.000 0.805 152 A HN 0.929 nan 8.150 nan 0.000 0.449 153 F N -0.014 120.013 119.950 0.128 0.000 2.202 153 F HA -0.038 4.488 4.527 -0.001 0.000 0.301 153 F C 2.407 178.236 175.800 0.048 0.000 1.082 153 F CA 1.301 59.344 58.000 0.072 0.000 1.313 153 F CB -0.510 38.484 39.000 -0.009 0.000 1.024 153 F HN 0.299 nan 8.300 nan 0.000 0.495 154 G N -2.690 106.214 108.800 0.174 0.000 2.944 154 G HA2 0.086 4.046 3.960 -0.001 0.000 0.220 154 G HA3 0.086 4.046 3.960 -0.001 0.000 0.220 154 G C 0.704 175.166 174.900 -0.730 0.000 1.100 154 G CA 0.062 45.020 45.100 -0.237 0.000 0.780 154 G HN 0.318 nan 8.290 nan 0.000 0.539 155 F N -0.318 119.735 119.950 0.172 0.000 2.838 155 F HA 0.430 4.956 4.527 -0.001 0.000 0.329 155 F C 0.347 176.206 175.800 0.098 0.000 1.116 155 F CA -1.018 57.061 58.000 0.131 0.000 1.155 155 F CB 0.450 39.551 39.000 0.168 0.000 1.106 155 F HN -0.082 nan 8.300 nan 0.000 0.538 156 L N 2.274 123.501 121.223 0.006 0.000 2.540 156 L HA 0.434 4.774 4.340 -0.001 0.000 0.276 156 L C 0.130 176.975 176.870 -0.042 0.000 1.212 156 L CA 0.247 54.970 54.840 -0.195 0.000 0.893 156 L CB 0.289 41.946 42.059 -0.671 0.000 1.138 156 L HN 0.158 nan 8.230 nan 0.000 0.491 157 A N 6.914 129.760 122.820 0.043 0.000 2.357 157 A HA 0.646 4.965 4.320 -0.001 0.000 0.295 157 A C -0.852 176.755 177.584 0.039 0.000 1.121 157 A CA -0.481 51.591 52.037 0.057 0.000 0.742 157 A CB 0.645 19.715 19.000 0.116 0.000 1.181 157 A HN 0.710 nan 8.150 nan 0.000 0.454 158 L N 3.556 124.790 121.223 0.019 0.000 2.581 158 L HA 0.242 4.581 4.340 -0.001 0.000 0.241 158 L C 0.059 176.963 176.870 0.058 0.000 1.265 158 L CA -0.748 54.105 54.840 0.021 0.000 0.954 158 L CB 0.364 42.402 42.059 -0.035 0.000 1.269 158 L HN 0.913 nan 8.230 nan 0.000 0.475 159 H N 1.472 120.549 119.070 0.011 0.000 3.115 159 H HA 0.216 4.772 4.556 -0.001 0.000 0.324 159 H C 1.229 176.566 175.328 0.016 0.000 1.007 159 H CA 1.806 57.867 56.048 0.021 0.000 1.385 159 H CB 0.859 30.638 29.762 0.029 0.000 1.351 159 H HN 0.664 nan 8.280 nan 0.000 0.592 160 G N 2.508 110.969 108.800 -0.565 0.000 2.308 160 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.221 160 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.221 160 G C 0.562 175.361 174.900 -0.170 0.000 1.032 160 G CA 0.316 45.206 45.100 -0.351 0.000 0.623 160 G HN 0.911 nan 8.290 nan 0.000 0.506 161 S N -0.194 115.443 115.700 -0.105 0.000 2.603 161 S HA 0.571 5.040 4.470 -0.001 0.000 0.268 161 S C 0.913 175.489 174.600 -0.040 0.000 1.317 161 S CA 0.839 59.008 58.200 -0.051 0.000 1.012 161 S CB 1.684 64.867 63.200 -0.028 0.000 0.926 161 S HN 0.345 nan 8.310 nan 0.000 0.539 162 Q N 0.425 120.216 119.800 -0.014 0.000 2.217 162 Q HA 0.313 4.652 4.340 -0.001 0.000 0.217 162 Q C 1.000 177.014 176.000 0.024 0.000 0.844 162 Q CA 0.353 56.157 55.803 0.002 0.000 0.957 162 Q CB 0.351 29.090 28.738 0.002 0.000 1.127 162 Q HN 0.675 nan 8.270 nan 0.000 0.503 163 E N -0.797 119.421 120.200 0.030 0.000 2.340 163 E HA 0.270 4.620 4.350 -0.001 0.000 0.194 163 E C -0.237 176.413 176.600 0.082 0.000 0.996 163 E CA 0.630 57.065 56.400 0.058 0.000 0.869 163 E CB 0.826 30.564 29.700 0.064 0.000 0.835 163 E HN 0.123 nan 8.360 nan 0.000 0.493 164 A N 1.970 124.814 122.820 0.039 0.000 3.409 164 A HA 0.293 4.613 4.320 -0.001 0.000 0.282 164 A C -2.074 175.515 177.584 0.010 0.000 1.064 164 A CA -0.880 51.167 52.037 0.017 0.000 0.889 164 A CB 0.666 19.596 19.000 -0.116 0.000 1.251 164 A HN -0.133 nan 8.150 nan 0.000 0.538 165 P HA 0.126 nan 4.420 nan 0.000 0.225 165 P C 0.900 178.257 177.300 0.095 0.000 1.156 165 P CA 1.758 64.896 63.100 0.063 0.000 0.787 165 P CB 0.221 31.960 31.700 0.065 0.000 0.802 166 G N 0.673 109.511 108.800 0.064 0.000 2.699 166 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.686 166 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.686 166 G C -0.072 174.853 174.900 0.042 0.000 1.301 166 G CA -0.269 44.877 45.100 0.076 0.000 0.816 166 G HN 0.121 nan 8.290 nan 0.000 0.595 167 N N -2.483 116.240 118.700 0.039 0.000 2.815 167 N HA -0.296 4.444 4.740 -0.001 0.000 0.247 167 N C 1.983 177.364 175.510 -0.215 0.000 1.030 167 N CA 2.617 55.616 53.050 -0.085 0.000 0.881 167 N CB -1.674 36.703 38.487 -0.183 0.000 1.134 167 N HN 1.925 nan 8.380 nan 0.000 0.582 168 V N -2.616 117.173 119.914 -0.207 0.000 2.594 168 V HA -0.040 4.080 4.120 -0.001 0.000 0.253 168 V C 2.332 178.308 176.094 -0.196 0.000 1.069 168 V CA 2.368 64.588 62.300 -0.133 0.000 1.082 168 V CB -1.022 30.765 31.823 -0.059 0.000 0.680 168 V HN 0.293 nan 8.190 nan 0.000 0.469 169 G N 0.361 108.830 108.800 -0.553 0.000 2.422 169 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.218 169 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.218 169 G C 1.559 176.430 174.900 -0.049 0.000 1.146 169 G CA 1.121 46.013 45.100 -0.347 0.000 0.769 169 G HN 0.535 nan 8.290 nan 0.000 0.547 170 L N -0.149 121.007 121.223 -0.111 0.000 2.156 170 L HA 0.102 4.441 4.340 -0.001 0.000 0.208 170 L C 2.765 179.717 176.870 0.137 0.000 1.095 170 L CA 0.313 55.091 54.840 -0.103 0.000 0.770 170 L CB -0.204 41.473 42.059 -0.636 0.000 0.914 170 L HN 0.190 nan 8.230 nan 0.000 0.439 171 L N -0.756 120.548 121.223 0.135 0.000 2.217 171 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 171 L C 2.057 179.040 176.870 0.188 0.000 1.107 171 L CA 0.658 55.641 54.840 0.239 0.000 0.783 171 L CB -0.508 41.661 42.059 0.183 0.000 0.919 171 L HN 0.255 nan 8.230 nan 0.000 0.442 172 D N 0.023 120.527 120.400 0.174 0.000 2.097 172 D HA -0.189 4.451 4.640 -0.001 0.000 0.195 172 D C 2.276 178.681 176.300 0.175 0.000 0.989 172 D CA 1.144 55.312 54.000 0.279 0.000 0.827 172 D CB -0.140 40.854 40.800 0.324 0.000 0.966 172 D HN 0.367 nan 8.370 nan 0.000 0.456 173 Q N 0.177 120.037 119.800 0.099 0.000 2.061 173 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 173 Q C 2.303 178.230 176.000 -0.121 0.000 0.984 173 Q CA 1.100 56.878 55.803 -0.043 0.000 0.846 173 Q CB -0.088 28.657 28.738 0.012 0.000 0.902 173 Q HN 0.202 nan 8.270 nan 0.000 0.421 174 R N 0.655 121.171 120.500 0.027 0.000 2.081 174 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 174 R C 2.230 178.513 176.300 -0.027 0.000 1.131 174 R CA 1.442 57.529 56.100 -0.022 0.000 0.960 174 R CB -0.184 30.201 30.300 0.142 0.000 0.856 174 R HN 0.279 nan 8.270 nan 0.000 0.436 175 M N 0.026 119.644 119.600 0.031 0.000 2.159 175 M HA -0.113 4.366 4.480 -0.001 0.000 0.263 175 M C 2.057 178.321 176.300 -0.060 0.000 1.063 175 M CA 1.928 57.276 55.300 0.080 0.000 1.110 175 M CB -0.029 32.717 32.600 0.243 0.000 1.374 175 M HN 0.320 nan 8.290 nan 0.000 0.411 176 A N 0.345 122.887 122.820 -0.463 0.000 1.930 176 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 176 A C 1.969 179.430 177.584 -0.204 0.000 1.175 176 A CA 1.238 52.817 52.037 -0.762 0.000 0.627 176 A CB -0.863 17.430 19.000 -1.178 0.000 0.815 176 A HN 0.577 nan 8.150 nan 0.000 0.443 177 L N -1.063 120.067 121.223 -0.156 0.000 2.093 177 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 177 L C 2.824 179.731 176.870 0.061 0.000 1.085 177 L CA 1.617 56.428 54.840 -0.049 0.000 0.755 177 L CB -0.428 41.554 42.059 -0.127 0.000 0.904 177 L HN 0.488 nan 8.230 nan 0.000 0.435 178 Q N -0.299 119.535 119.800 0.058 0.000 2.084 178 Q HA -0.258 4.081 4.340 -0.001 0.000 0.202 178 Q C 2.007 178.115 176.000 0.180 0.000 0.978 178 Q CA 1.893 57.760 55.803 0.107 0.000 0.844 178 Q CB -0.465 28.326 28.738 0.087 0.000 0.898 178 Q HN 0.470 nan 8.270 nan 0.000 0.426 179 W N -0.695 120.621 121.300 0.027 0.000 2.358 179 W HA -0.155 4.505 4.660 -0.001 0.000 0.303 179 W C 1.804 178.360 176.519 0.063 0.000 1.208 179 W CA 1.697 59.078 57.345 0.060 0.000 1.274 179 W CB -0.132 29.363 29.460 0.058 0.000 1.138 179 W HN 0.017 nan 8.180 nan 0.000 0.515 180 V N -0.146 119.977 119.914 0.348 0.000 2.343 180 V HA -0.352 3.768 4.120 -0.001 0.000 0.247 180 V C 2.158 178.287 176.094 0.058 0.000 1.051 180 V CA 2.411 64.843 62.300 0.220 0.000 1.036 180 V CB -1.354 30.586 31.823 0.194 0.000 0.654 180 V HN 0.295 nan 8.190 nan 0.000 0.451 181 H N 0.762 119.831 119.070 -0.003 0.000 2.352 181 H HA -0.173 4.383 4.556 -0.001 0.000 0.299 181 H C 1.965 177.227 175.328 -0.110 0.000 1.097 181 H CA 2.240 58.264 56.048 -0.040 0.000 1.311 181 H CB -0.080 29.670 29.762 -0.020 0.000 1.377 181 H HN 0.421 nan 8.280 nan 0.000 0.504 182 D N -1.088 119.227 120.400 -0.141 0.000 2.249 182 D HA -0.042 4.598 4.640 -0.001 0.000 0.205 182 D C 0.984 177.084 176.300 -0.333 0.000 0.962 182 D CA 1.021 54.877 54.000 -0.240 0.000 0.860 182 D CB -0.041 40.665 40.800 -0.157 0.000 0.955 182 D HN 0.537 nan 8.370 nan 0.000 0.505 183 N N -0.575 117.854 118.700 -0.452 0.000 2.210 183 N HA 0.102 4.842 4.740 -0.001 0.000 0.203 183 N C 1.258 176.711 175.510 -0.095 0.000 1.175 183 N CA -0.189 52.649 53.050 -0.354 0.000 0.894 183 N CB 0.736 38.684 38.487 -0.899 0.000 1.041 183 N HN -0.106 nan 8.380 nan 0.000 0.506 184 I N 2.321 122.834 120.570 -0.095 0.000 2.567 184 I HA -0.263 3.907 4.170 -0.001 0.000 0.257 184 I C 2.316 178.472 176.117 0.064 0.000 1.184 184 I CA 1.287 62.650 61.300 0.105 0.000 1.451 184 I CB -0.204 37.823 38.000 0.045 0.000 1.089 184 I HN 0.252 nan 8.210 nan 0.000 0.441 185 Q N -0.816 118.844 119.800 -0.233 0.000 2.170 185 Q HA -0.234 4.105 4.340 -0.001 0.000 0.203 185 Q C 1.933 177.751 176.000 -0.305 0.000 0.976 185 Q CA 1.675 57.276 55.803 -0.337 0.000 0.858 185 Q CB -0.889 27.505 28.738 -0.574 0.000 0.907 185 Q HN 0.407 nan 8.270 nan 0.000 0.433 186 F N 0.085 119.987 119.950 -0.079 0.000 2.451 186 F HA 0.038 4.565 4.527 -0.001 0.000 0.299 186 F C 1.032 176.612 175.800 -0.366 0.000 1.101 186 F CA 0.455 58.303 58.000 -0.254 0.000 1.436 186 F CB -0.160 38.599 39.000 -0.402 0.000 1.074 186 F HN 0.007 nan 8.300 nan 0.000 0.553 187 F N -0.644 119.323 119.950 0.029 0.000 2.693 187 F HA 0.419 4.945 4.527 -0.001 0.000 0.303 187 F C 1.788 177.605 175.800 0.028 0.000 1.097 187 F CA 0.295 58.287 58.000 -0.013 0.000 1.330 187 F CB -0.129 38.834 39.000 -0.061 0.000 1.067 187 F HN 0.035 nan 8.300 nan 0.000 0.565 188 G N 0.128 109.010 108.800 0.137 0.000 2.175 188 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.244 188 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.244 188 G C 0.622 175.571 174.900 0.081 0.000 0.982 188 G CA -0.266 44.890 45.100 0.094 0.000 0.641 188 G HN 0.730 nan 8.290 nan 0.000 0.527 189 G N -0.438 108.417 108.800 0.092 0.000 2.448 189 G HA2 0.489 4.448 3.960 -0.001 0.000 0.285 189 G HA3 0.489 4.448 3.960 -0.001 0.000 0.285 189 G C -0.735 174.164 174.900 -0.001 0.000 1.176 189 G CA 0.281 45.418 45.100 0.062 0.000 0.852 189 G HN 0.248 nan 8.290 nan 0.000 0.530 190 D N 1.621 122.019 120.400 -0.002 0.000 2.428 190 D HA 0.255 4.895 4.640 -0.001 0.000 0.221 190 D C -0.884 175.396 176.300 -0.033 0.000 1.123 190 D CA -2.407 51.573 54.000 -0.033 0.000 0.869 190 D CB 1.703 42.491 40.800 -0.021 0.000 1.032 190 D HN 0.068 nan 8.370 nan 0.000 0.506 191 P HA -0.180 nan 4.420 nan 0.000 0.223 191 P C 0.553 177.846 177.300 -0.011 0.000 1.144 191 P CA 0.991 64.040 63.100 -0.085 0.000 0.783 191 P CB 0.059 31.601 31.700 -0.265 0.000 0.771 192 K N -1.245 119.141 120.400 -0.023 0.000 2.374 192 K HA 0.159 4.478 4.320 -0.001 0.000 0.196 192 K C 0.079 176.682 176.600 0.005 0.000 1.023 192 K CA 0.255 56.545 56.287 0.005 0.000 1.103 192 K CB -0.240 32.250 32.500 -0.017 0.000 0.848 192 K HN -0.152 nan 8.250 nan 0.000 0.528 193 T N 1.631 116.190 114.554 0.008 0.000 3.532 193 T HA 0.230 4.580 4.350 -0.001 0.000 0.241 193 T C -0.882 173.837 174.700 0.032 0.000 1.238 193 T CA -0.499 61.602 62.100 0.002 0.000 1.405 193 T CB 0.737 69.595 68.868 -0.018 0.000 0.971 193 T HN -0.081 nan 8.240 nan 0.000 0.640 194 V N 1.998 121.959 119.914 0.077 0.000 2.394 194 V HA 0.465 4.585 4.120 -0.001 0.000 0.282 194 V C 0.393 176.585 176.094 0.164 0.000 1.031 194 V CA -0.409 61.965 62.300 0.123 0.000 0.881 194 V CB 1.557 33.479 31.823 0.166 0.000 0.982 194 V HN 0.469 nan 8.190 nan 0.000 0.451 195 T N 6.556 121.190 114.554 0.133 0.000 2.779 195 T HA 0.600 4.949 4.350 -0.001 0.000 0.280 195 T C -0.156 174.654 174.700 0.183 0.000 0.987 195 T CA -0.182 62.008 62.100 0.151 0.000 0.966 195 T CB 0.836 69.745 68.868 0.068 0.000 0.933 195 T HN 0.614 nan 8.240 nan 0.000 0.442 196 I N 1.875 122.527 120.570 0.137 0.000 2.392 196 I HA 0.865 5.034 4.170 -0.001 0.000 0.295 196 I C -0.869 175.413 176.117 0.275 0.000 0.985 196 I CA -0.982 60.386 61.300 0.114 0.000 1.221 196 I CB 0.954 38.794 38.000 -0.266 0.000 1.366 196 I HN 0.471 nan 8.210 nan 0.000 0.467 197 F N 3.070 123.043 119.950 0.038 0.000 2.613 197 F HA 1.017 5.544 4.527 -0.001 0.000 0.310 197 F C -0.415 175.337 175.800 -0.080 0.000 1.085 197 F CA -1.469 56.582 58.000 0.085 0.000 0.945 197 F CB 1.347 40.519 39.000 0.287 0.000 1.298 197 F HN 0.835 nan 8.300 nan 0.000 0.455 198 G N 0.747 109.388 108.800 -0.266 0.000 2.601 198 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 198 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 198 G C -2.526 172.129 174.900 -0.408 0.000 1.456 198 G CA -0.805 43.755 45.100 -0.899 0.000 0.804 198 G HN 0.869 nan 8.290 nan 0.000 0.499 199 E N 0.449 120.376 120.200 -0.455 0.000 2.212 199 E HA 0.619 4.969 4.350 -0.001 0.000 0.268 199 E C 0.818 177.356 176.600 -0.104 0.000 0.902 199 E CA 0.310 56.670 56.400 -0.066 0.000 0.779 199 E CB 2.008 31.807 29.700 0.164 0.000 1.172 199 E HN 0.788 nan 8.360 nan 0.000 0.409 200 S N 2.998 118.703 115.700 0.009 0.000 4.138 200 S HA -0.410 4.059 4.470 -0.001 0.000 0.574 200 S C 1.526 176.207 174.600 0.136 0.000 1.895 200 S CA 2.408 60.699 58.200 0.151 0.000 4.239 200 S CB -1.581 61.687 63.200 0.114 0.000 0.264 200 S HN 0.955 nan 8.310 nan 0.000 0.489 201 A N 0.932 123.754 122.820 0.004 0.000 2.032 201 A HA 0.091 4.410 4.320 -0.001 0.000 0.221 201 A C 2.405 179.737 177.584 -0.419 0.000 1.165 201 A CA 2.511 54.333 52.037 -0.357 0.000 0.645 201 A CB -1.485 16.965 19.000 -0.917 0.000 0.807 201 A HN 1.514 nan 8.150 nan 0.000 0.453 202 G N -1.027 107.582 108.800 -0.318 0.000 2.430 202 G HA2 0.153 4.113 3.960 -0.001 0.000 0.216 202 G HA3 0.153 4.113 3.960 -0.001 0.000 0.216 202 G C 1.418 176.136 174.900 -0.304 0.000 1.146 202 G CA 1.083 45.949 45.100 -0.390 0.000 0.793 202 G HN 0.652 nan 8.290 nan 0.000 0.537 203 G N 1.095 109.775 108.800 -0.201 0.000 2.394 203 G HA2 0.118 4.078 3.960 -0.001 0.000 0.215 203 G HA3 0.118 4.078 3.960 -0.001 0.000 0.215 203 G C 2.032 176.833 174.900 -0.165 0.000 1.165 203 G CA 1.365 46.380 45.100 -0.141 0.000 0.784 203 G HN 0.545 nan 8.290 nan 0.000 0.535 204 A N 0.904 123.649 122.820 -0.124 0.000 1.908 204 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 204 A C 2.691 180.210 177.584 -0.108 0.000 1.181 204 A CA 2.297 54.242 52.037 -0.153 0.000 0.627 204 A CB -0.668 18.275 19.000 -0.094 0.000 0.818 204 A HN 0.301 nan 8.150 nan 0.000 0.445 205 S N -0.501 115.156 115.700 -0.072 0.000 2.359 205 S HA -0.145 4.325 4.470 -0.001 0.000 0.224 205 S C 1.912 176.424 174.600 -0.146 0.000 1.035 205 S CA 1.433 59.566 58.200 -0.112 0.000 1.018 205 S CB -0.521 62.572 63.200 -0.178 0.000 0.876 205 S HN 0.352 nan 8.310 nan 0.000 0.448 206 V N 1.598 121.438 119.914 -0.123 0.000 2.287 206 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 206 V C 2.593 178.640 176.094 -0.077 0.000 1.053 206 V CA 2.043 64.285 62.300 -0.097 0.000 1.027 206 V CB -1.447 30.299 31.823 -0.128 0.000 0.646 206 V HN 0.607 nan 8.190 nan 0.000 0.447 207 G N -1.014 107.688 108.800 -0.163 0.000 2.432 207 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.219 207 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.219 207 G C 1.577 176.473 174.900 -0.006 0.000 1.135 207 G CA 0.915 45.898 45.100 -0.195 0.000 0.767 207 G HN 0.469 nan 8.290 nan 0.000 0.550 208 M N -0.171 119.426 119.600 -0.005 0.000 2.319 208 M HA 0.042 4.521 4.480 -0.001 0.000 0.265 208 M C 2.158 178.565 176.300 0.178 0.000 1.068 208 M CA 0.773 56.186 55.300 0.187 0.000 1.118 208 M CB -0.183 32.532 32.600 0.191 0.000 1.395 208 M HN 0.167 nan 8.290 nan 0.000 0.435 209 H N -0.175 119.021 119.070 0.210 0.000 2.470 209 H HA 0.101 4.657 4.556 -0.001 0.000 0.289 209 H C 2.090 177.641 175.328 0.371 0.000 1.033 209 H CA 1.108 57.288 56.048 0.221 0.000 1.331 209 H CB -0.038 29.740 29.762 0.026 0.000 1.414 209 H HN 0.404 nan 8.280 nan 0.000 0.545 210 I N 0.330 121.182 120.570 0.470 0.000 2.252 210 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 210 I C 2.213 178.588 176.117 0.430 0.000 1.102 210 I CA 0.827 62.451 61.300 0.540 0.000 1.385 210 I CB -0.048 38.220 38.000 0.446 0.000 1.064 210 I HN 0.110 nan 8.210 nan 0.000 0.414 211 L N -0.428 121.018 121.223 0.372 0.000 2.023 211 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 211 L C 1.569 178.589 176.870 0.249 0.000 1.073 211 L CA 0.457 55.514 54.840 0.362 0.000 0.745 211 L CB -0.368 41.928 42.059 0.394 0.000 0.900 211 L HN 0.080 nan 8.230 nan 0.000 0.435 212 S N 0.184 115.983 115.700 0.165 0.000 2.555 212 S HA 0.031 4.500 4.470 -0.001 0.000 0.293 212 S C -1.477 173.065 174.600 -0.097 0.000 1.248 212 S CA -1.209 56.932 58.200 -0.099 0.000 1.096 212 S CB 0.724 63.603 63.200 -0.536 0.000 0.881 212 S HN -0.054 nan 8.310 nan 0.000 0.498 213 P HA -0.072 nan 4.420 nan 0.000 0.216 213 P C 1.378 178.603 177.300 -0.124 0.000 1.150 213 P CA 1.211 64.260 63.100 -0.086 0.000 0.843 213 P CB -0.103 31.548 31.700 -0.083 0.000 0.787 214 G N -1.678 106.993 108.800 -0.214 0.000 2.776 214 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.209 214 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.209 214 G C 1.261 176.071 174.900 -0.150 0.000 1.145 214 G CA 0.504 45.481 45.100 -0.205 0.000 0.791 214 G HN 0.235 nan 8.290 nan 0.000 0.530 215 S N -0.624 115.028 115.700 -0.080 0.000 2.539 215 S HA 0.120 4.590 4.470 -0.001 0.000 0.226 215 S C 2.144 176.840 174.600 0.160 0.000 1.054 215 S CA -0.474 57.778 58.200 0.086 0.000 0.910 215 S CB 0.240 63.630 63.200 0.316 0.000 0.818 215 S HN 0.335 nan 8.310 nan 0.000 0.490 216 R N 1.962 122.499 120.500 0.063 0.000 2.133 216 R HA -0.139 4.201 4.340 -0.001 0.000 0.247 216 R C 0.778 176.893 176.300 -0.309 0.000 1.151 216 R CA 1.749 57.775 56.100 -0.123 0.000 0.971 216 R CB -0.474 29.776 30.300 -0.083 0.000 0.866 216 R HN 0.305 nan 8.270 nan 0.000 0.447 217 D N 0.275 120.560 120.400 -0.193 0.000 2.363 217 D HA -0.024 4.615 4.640 -0.001 0.000 0.220 217 D C 1.399 177.554 176.300 -0.242 0.000 0.994 217 D CA 0.703 54.572 54.000 -0.217 0.000 0.890 217 D CB 0.090 40.778 40.800 -0.187 0.000 0.906 217 D HN 0.250 nan 8.370 nan 0.000 0.530 218 L N -0.282 120.855 121.223 -0.144 0.000 2.591 218 L HA 0.161 4.501 4.340 -0.001 0.000 0.228 218 L C -0.059 176.929 176.870 0.195 0.000 1.133 218 L CA -0.055 54.757 54.840 -0.046 0.000 0.880 218 L CB -0.266 41.800 42.059 0.011 0.000 1.033 218 L HN -0.054 nan 8.230 nan 0.000 0.450 219 F N -4.394 115.547 119.950 -0.015 0.000 2.686 219 F HA 0.571 5.098 4.527 -0.001 0.000 0.311 219 F C 0.412 176.231 175.800 0.031 0.000 1.128 219 F CA -1.372 56.643 58.000 0.025 0.000 0.946 219 F CB 1.151 40.168 39.000 0.028 0.000 1.336 219 F HN -0.411 nan 8.300 nan 0.000 0.457 220 R N 0.850 121.420 120.500 0.117 0.000 2.087 220 R HA 0.416 4.756 4.340 -0.001 0.000 0.216 220 R C 0.004 176.344 176.300 0.066 0.000 1.114 220 R CA 1.454 57.557 56.100 0.005 0.000 1.002 220 R CB 0.184 30.492 30.300 0.013 0.000 0.903 220 R HN 0.870 nan 8.270 nan 0.000 0.445 221 R N -1.956 118.694 120.500 0.251 0.000 2.810 221 R HA 0.803 5.143 4.340 -0.001 0.000 0.266 221 R C -1.561 174.993 176.300 0.423 0.000 1.061 221 R CA -0.773 55.495 56.100 0.280 0.000 0.943 221 R CB 1.090 31.391 30.300 0.002 0.000 1.237 221 R HN 0.045 nan 8.270 nan 0.000 0.459 222 A N 0.575 123.634 122.820 0.399 0.000 2.587 222 A HA 0.755 5.074 4.320 -0.001 0.000 0.293 222 A C -1.299 176.409 177.584 0.206 0.000 1.087 222 A CA -0.916 51.286 52.037 0.275 0.000 0.692 222 A CB 1.640 20.749 19.000 0.181 0.000 1.291 222 A HN 0.594 nan 8.150 nan 0.000 0.407 223 I N 0.990 121.630 120.570 0.117 0.000 2.499 223 I HA 0.405 4.574 4.170 -0.001 0.000 0.288 223 I C -1.556 174.604 176.117 0.071 0.000 1.048 223 I CA -0.578 60.716 61.300 -0.010 0.000 1.062 223 I CB 1.944 39.906 38.000 -0.063 0.000 1.238 223 I HN 0.404 nan 8.210 nan 0.000 0.426 224 L N 6.473 127.707 121.223 0.017 0.000 2.343 224 L HA 0.449 4.789 4.340 -0.001 0.000 0.278 224 L C -0.494 176.447 176.870 0.119 0.000 0.996 224 L CA -0.268 54.584 54.840 0.021 0.000 0.831 224 L CB 1.575 43.577 42.059 -0.094 0.000 1.232 224 L HN 0.492 nan 8.230 nan 0.000 0.413 225 Q N 1.834 121.753 119.800 0.199 0.000 2.347 225 Q HA 0.476 4.815 4.340 -0.001 0.000 0.262 225 Q C 0.106 176.215 176.000 0.181 0.000 0.980 225 Q CA -0.575 55.416 55.803 0.314 0.000 0.867 225 Q CB 1.489 30.509 28.738 0.469 0.000 1.242 225 Q HN 0.642 nan 8.270 nan 0.000 0.453 226 S N 0.946 116.743 115.700 0.162 0.000 3.614 226 S HA -0.181 4.289 4.470 -0.001 0.000 0.360 226 S C 0.037 174.749 174.600 0.187 0.000 1.023 226 S CA 0.622 58.922 58.200 0.166 0.000 1.114 226 S CB -1.122 62.177 63.200 0.166 0.000 0.907 226 S HN 0.951 nan 8.310 nan 0.000 0.470 227 G N -0.794 108.063 108.800 0.095 0.000 2.702 227 G HA2 0.624 4.584 3.960 -0.001 0.000 0.296 227 G HA3 0.624 4.584 3.960 -0.001 0.000 0.296 227 G C -1.268 173.560 174.900 -0.121 0.000 1.463 227 G CA 0.200 45.346 45.100 0.076 0.000 0.890 227 G HN 0.474 nan 8.290 nan 0.000 0.534 228 S N 0.544 116.106 115.700 -0.230 0.000 2.556 228 S HA 0.761 5.230 4.470 -0.001 0.000 0.271 228 S C -1.867 172.443 174.600 -0.483 0.000 1.135 228 S CA -1.099 56.816 58.200 -0.475 0.000 0.858 228 S CB 2.446 65.417 63.200 -0.382 0.000 1.114 228 S HN 0.346 nan 8.310 nan 0.000 0.468 229 P HA -0.088 nan 4.420 nan 0.000 0.218 229 P C 0.284 177.350 177.300 -0.389 0.000 1.149 229 P CA 1.033 63.892 63.100 -0.401 0.000 0.817 229 P CB -0.360 31.152 31.700 -0.313 0.000 0.785 230 N N 0.506 119.017 118.700 -0.315 0.000 2.802 230 N HA 0.056 4.796 4.740 -0.001 0.000 0.288 230 N C 0.451 175.762 175.510 -0.331 0.000 1.268 230 N CA -0.362 52.538 53.050 -0.250 0.000 1.035 230 N CB -1.048 37.416 38.487 -0.039 0.000 1.353 230 N HN 0.159 nan 8.380 nan 0.000 0.522 231 C N -0.860 118.157 119.300 -0.471 0.000 2.480 231 C HA 0.461 4.921 4.460 -0.001 0.000 0.358 231 C C -0.506 174.106 174.990 -0.630 0.000 1.309 231 C CA -1.384 57.278 59.018 -0.595 0.000 2.465 231 C CB 1.736 28.944 27.740 -0.885 0.000 2.379 231 C HN 0.253 nan 8.230 nan 0.000 0.642 232 P HA -0.021 nan 4.420 nan 0.000 0.229 232 P C 1.155 178.268 177.300 -0.312 0.000 1.160 232 P CA 1.720 64.567 63.100 -0.422 0.000 0.777 232 P CB -0.140 31.296 31.700 -0.440 0.000 0.814 233 W N -1.406 119.755 121.300 -0.232 0.000 3.058 233 W HA 0.559 5.219 4.660 -0.000 0.000 0.306 233 W C 1.055 177.603 176.519 0.049 0.000 1.188 233 W CA 0.358 57.640 57.345 -0.105 0.000 1.651 233 W CB -0.902 28.508 29.460 -0.085 0.000 1.051 233 W HN -0.153 nan 8.180 nan 0.000 0.592 234 A N 1.576 124.006 122.820 -0.650 0.000 2.208 234 A HA 0.202 4.521 4.320 -0.001 0.000 0.209 234 A C 0.926 178.273 177.584 -0.396 0.000 1.161 234 A CA 1.124 52.891 52.037 -0.449 0.000 0.782 234 A CB -0.608 17.923 19.000 -0.782 0.000 0.816 234 A HN 0.235 nan 8.150 nan 0.000 0.477 235 S N -1.737 113.762 115.700 -0.336 0.000 2.565 235 S HA 0.628 5.098 4.470 -0.001 0.000 0.269 235 S C -0.819 173.651 174.600 -0.216 0.000 1.153 235 S CA -0.095 57.913 58.200 -0.321 0.000 0.835 235 S CB 1.291 64.243 63.200 -0.413 0.000 1.122 235 S HN 1.281 nan 8.310 nan 0.000 0.462 236 V N -0.787 119.027 119.914 -0.168 0.000 3.102 236 V HA 0.951 5.071 4.120 -0.001 0.000 0.312 236 V C 0.261 176.297 176.094 -0.095 0.000 1.135 236 V CA -0.435 61.800 62.300 -0.108 0.000 1.022 236 V CB 1.144 32.926 31.823 -0.068 0.000 1.056 236 V HN 1.493 nan 8.190 nan 0.000 0.436 237 S N 0.621 116.279 115.700 -0.070 0.000 2.624 237 S HA 0.370 4.840 4.470 -0.001 0.000 0.263 237 S C 1.018 175.589 174.600 -0.048 0.000 1.287 237 S CA 0.170 58.331 58.200 -0.064 0.000 0.990 237 S CB 1.304 64.477 63.200 -0.046 0.000 0.950 237 S HN 1.008 nan 8.310 nan 0.000 0.561 238 V N 1.486 121.361 119.914 -0.065 0.000 2.343 238 V HA -0.161 3.959 4.120 -0.001 0.000 0.247 238 V C 2.954 179.047 176.094 -0.001 0.000 1.051 238 V CA 2.381 64.649 62.300 -0.054 0.000 1.036 238 V CB -1.751 29.984 31.823 -0.147 0.000 0.654 238 V HN 1.004 nan 8.190 nan 0.000 0.451 239 A N -0.078 122.738 122.820 -0.008 0.000 1.877 239 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 239 A C 2.197 179.780 177.584 -0.002 0.000 1.186 239 A CA 2.069 54.108 52.037 0.004 0.000 0.620 239 A CB -0.518 18.483 19.000 0.001 0.000 0.822 239 A HN 0.560 nan 8.150 nan 0.000 0.443 240 E N 0.088 120.282 120.200 -0.010 0.000 2.106 240 E HA -0.026 4.323 4.350 -0.001 0.000 0.192 240 E C 1.948 178.536 176.600 -0.020 0.000 0.984 240 E CA 1.503 57.890 56.400 -0.022 0.000 0.806 240 E CB -0.796 28.892 29.700 -0.019 0.000 0.750 240 E HN 0.394 nan 8.360 nan 0.000 0.458 241 G N 0.649 109.449 108.800 -0.000 0.000 2.418 241 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.217 241 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.217 241 G C 1.758 176.687 174.900 0.048 0.000 1.158 241 G CA 0.851 45.971 45.100 0.033 0.000 0.771 241 G HN 0.319 nan 8.290 nan 0.000 0.545 242 R N 0.287 120.808 120.500 0.035 0.000 2.081 242 R HA 0.006 4.346 4.340 -0.001 0.000 0.235 242 R C 2.567 178.876 176.300 0.015 0.000 1.131 242 R CA 1.378 57.495 56.100 0.029 0.000 0.960 242 R CB -0.359 29.960 30.300 0.032 0.000 0.856 242 R HN 0.319 nan 8.270 nan 0.000 0.436 243 R N 0.432 120.932 120.500 -0.000 0.000 2.091 243 R HA -0.141 4.199 4.340 -0.001 0.000 0.238 243 R C 2.190 178.480 176.300 -0.017 0.000 1.136 243 R CA 1.828 57.917 56.100 -0.017 0.000 0.959 243 R CB -0.085 30.192 30.300 -0.039 0.000 0.856 243 R HN 0.274 nan 8.270 nan 0.000 0.437 244 R N -0.313 120.177 120.500 -0.017 0.000 2.092 244 R HA -0.028 4.311 4.340 -0.001 0.000 0.231 244 R C 2.346 178.715 176.300 0.115 0.000 1.119 244 R CA 1.131 57.221 56.100 -0.017 0.000 0.970 244 R CB -0.261 29.957 30.300 -0.137 0.000 0.864 244 R HN 0.245 nan 8.270 nan 0.000 0.440 245 A N 0.860 123.759 122.820 0.133 0.000 1.877 245 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 245 A C 2.359 179.955 177.584 0.018 0.000 1.186 245 A CA 1.359 53.447 52.037 0.085 0.000 0.620 245 A CB -0.562 18.434 19.000 -0.007 0.000 0.822 245 A HN 0.099 nan 8.150 nan 0.000 0.443 246 V N 0.052 119.971 119.914 0.010 0.000 2.295 246 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 246 V C 2.612 178.710 176.094 0.008 0.000 1.049 246 V CA 2.431 64.730 62.300 -0.001 0.000 1.024 246 V CB -0.729 31.091 31.823 -0.004 0.000 0.648 246 V HN 0.701 nan 8.190 nan 0.000 0.447 247 E N 0.150 120.358 120.200 0.013 0.000 2.153 247 E HA -0.192 4.157 4.350 -0.001 0.000 0.194 247 E C 2.056 178.678 176.600 0.037 0.000 0.988 247 E CA 1.142 57.549 56.400 0.012 0.000 0.811 247 E CB -0.394 29.301 29.700 -0.009 0.000 0.746 247 E HN 0.473 nan 8.360 nan 0.000 0.466 248 L N -0.461 120.804 121.223 0.071 0.000 2.046 248 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 248 L C 2.154 179.047 176.870 0.039 0.000 1.077 248 L CA 1.931 56.825 54.840 0.091 0.000 0.747 248 L CB -1.019 41.124 42.059 0.140 0.000 0.896 248 L HN 0.401 nan 8.230 nan 0.000 0.432 249 G N -0.542 108.266 108.800 0.014 0.000 2.418 249 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.217 249 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.217 249 G C 1.716 176.628 174.900 0.020 0.000 1.158 249 G CA 0.765 45.870 45.100 0.009 0.000 0.771 249 G HN 0.342 nan 8.290 nan 0.000 0.545 250 R N 0.404 120.916 120.500 0.019 0.000 2.105 250 R HA -0.045 4.295 4.340 -0.001 0.000 0.239 250 R C 2.238 178.554 176.300 0.026 0.000 1.135 250 R CA 1.354 57.465 56.100 0.019 0.000 0.967 250 R CB -0.325 29.982 30.300 0.012 0.000 0.861 250 R HN 0.314 nan 8.270 nan 0.000 0.442 251 N N 0.247 118.968 118.700 0.034 0.000 2.381 251 N HA -0.110 4.629 4.740 -0.001 0.000 0.182 251 N C 0.855 176.392 175.510 0.046 0.000 1.025 251 N CA 0.902 53.978 53.050 0.044 0.000 0.888 251 N CB 0.156 38.678 38.487 0.057 0.000 0.965 251 N HN 0.287 nan 8.380 nan 0.000 0.438 252 L N 0.816 122.065 121.223 0.043 0.000 2.872 252 L HA 0.208 4.547 4.340 -0.001 0.000 0.245 252 L C -0.245 176.649 176.870 0.041 0.000 1.211 252 L CA -0.171 54.697 54.840 0.046 0.000 1.013 252 L CB -0.110 41.978 42.059 0.049 0.000 1.326 252 L HN 0.012 nan 8.230 nan 0.000 0.525 253 N N -0.189 118.531 118.700 0.034 0.000 2.725 253 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 253 N C -0.217 175.311 175.510 0.030 0.000 1.031 253 N CA 0.527 53.595 53.050 0.029 0.000 0.720 253 N CB -1.550 36.955 38.487 0.030 0.000 0.930 253 N HN 0.307 nan 8.380 nan 0.000 0.543 254 c N 0.753 119.370 118.600 0.028 0.000 2.382 254 c HA 0.282 4.852 4.570 -0.001 0.000 0.363 254 c C 1.296 175.398 174.090 0.020 0.000 1.213 254 c CA -0.995 55.352 56.329 0.030 0.000 2.363 254 c CB 1.196 43.724 42.510 0.030 0.000 2.397 254 c HN 0.415 nan 8.230 nan 0.000 0.573 255 N N 1.754 120.465 118.700 0.019 0.000 2.470 255 N HA 0.146 4.885 4.740 -0.001 0.000 0.268 255 N C -0.185 175.330 175.510 0.007 0.000 1.136 255 N CA 0.172 53.227 53.050 0.008 0.000 0.961 255 N CB 0.499 38.986 38.487 -0.001 0.000 1.067 255 N HN 0.630 nan 8.380 nan 0.000 0.468 256 L N 3.022 124.247 121.223 0.004 0.000 2.872 256 L HA 0.223 4.563 4.340 -0.001 0.000 0.245 256 L C 1.258 178.127 176.870 -0.001 0.000 1.211 256 L CA -0.320 54.521 54.840 0.001 0.000 1.013 256 L CB -0.128 41.932 42.059 0.001 0.000 1.326 256 L HN 0.444 nan 8.230 nan 0.000 0.525 257 N N 0.596 119.295 118.700 -0.002 0.000 2.396 257 N HA -0.044 4.696 4.740 -0.001 0.000 0.180 257 N C 0.656 176.165 175.510 -0.002 0.000 1.028 257 N CA 0.741 53.789 53.050 -0.003 0.000 0.893 257 N CB 0.358 38.842 38.487 -0.005 0.000 0.967 257 N HN 0.466 nan 8.380 nan 0.000 0.440 258 S N -1.381 114.318 115.700 -0.002 0.000 2.565 258 S HA 0.302 4.771 4.470 -0.001 0.000 0.269 258 S C -0.164 174.436 174.600 0.001 0.000 1.153 258 S CA -0.844 57.355 58.200 -0.001 0.000 0.835 258 S CB 1.724 64.924 63.200 -0.000 0.000 1.122 258 S HN -0.271 nan 8.310 nan 0.000 0.462 259 D N 1.342 121.741 120.400 -0.001 0.000 2.104 259 D HA -0.118 4.521 4.640 -0.001 0.000 0.194 259 D C 1.672 177.978 176.300 0.009 0.000 0.994 259 D CA 1.945 55.942 54.000 -0.005 0.000 0.830 259 D CB -0.253 40.541 40.800 -0.010 0.000 0.959 259 D HN 0.846 nan 8.370 nan 0.000 0.452 260 E N 0.740 120.952 120.200 0.019 0.000 2.070 260 E HA -0.241 4.109 4.350 -0.001 0.000 0.197 260 E C 1.738 178.379 176.600 0.069 0.000 1.004 260 E CA 1.343 57.769 56.400 0.044 0.000 0.805 260 E CB 0.053 29.775 29.700 0.035 0.000 0.744 260 E HN 0.328 nan 8.360 nan 0.000 0.451 261 E N 0.072 120.295 120.200 0.038 0.000 2.106 261 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 261 E C 2.139 178.776 176.600 0.061 0.000 0.984 261 E CA 0.851 57.272 56.400 0.034 0.000 0.806 261 E CB -0.115 29.583 29.700 -0.003 0.000 0.750 261 E HN 0.230 nan 8.360 nan 0.000 0.458 262 L N 1.280 122.523 121.223 0.034 0.000 1.994 262 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 262 L C 2.029 178.917 176.870 0.030 0.000 1.071 262 L CA 1.636 56.487 54.840 0.017 0.000 0.745 262 L CB -0.368 41.680 42.059 -0.018 0.000 0.892 262 L HN 0.113 nan 8.230 nan 0.000 0.431 263 I N -0.948 119.639 120.570 0.029 0.000 2.226 263 I HA -0.328 3.841 4.170 -0.001 0.000 0.245 263 I C 2.613 178.817 176.117 0.145 0.000 1.100 263 I CA 1.486 62.818 61.300 0.054 0.000 1.374 263 I CB -0.763 37.268 38.000 0.052 0.000 1.057 263 I HN 0.475 nan 8.210 nan 0.000 0.413 264 H N 0.679 119.784 119.070 0.057 0.000 2.319 264 H HA -0.264 4.291 4.556 -0.001 0.000 0.299 264 H C 2.451 177.817 175.328 0.063 0.000 1.092 264 H CA 2.303 58.387 56.048 0.059 0.000 1.302 264 H CB -0.318 29.467 29.762 0.038 0.000 1.373 264 H HN 0.488 nan 8.280 nan 0.000 0.497 265 c N 0.725 119.486 118.600 0.268 0.000 2.432 265 c HA -0.082 4.488 4.570 -0.001 0.000 0.277 265 c C 3.122 177.289 174.090 0.128 0.000 1.249 265 c CA 0.814 57.257 56.329 0.190 0.000 1.725 265 c CB -1.402 41.179 42.510 0.119 0.000 2.028 265 c HN 0.565 nan 8.230 nan 0.000 0.477 266 L N 0.222 121.520 121.223 0.126 0.000 2.191 266 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 266 L C 2.926 179.926 176.870 0.217 0.000 1.103 266 L CA 1.448 56.388 54.840 0.167 0.000 0.769 266 L CB -0.656 41.488 42.059 0.143 0.000 0.908 266 L HN 0.369 nan 8.230 nan 0.000 0.438 267 R N -0.122 120.479 120.500 0.168 0.000 2.236 267 R HA -0.085 4.254 4.340 -0.001 0.000 0.208 267 R C 1.813 178.100 176.300 -0.022 0.000 1.036 267 R CA 0.689 56.807 56.100 0.031 0.000 1.001 267 R CB 0.025 30.304 30.300 -0.035 0.000 0.896 267 R HN 0.483 nan 8.270 nan 0.000 0.464 268 E N 0.232 120.433 120.200 0.002 0.000 2.371 268 E HA -0.008 4.342 4.350 -0.001 0.000 0.194 268 E C 0.018 176.642 176.600 0.040 0.000 1.012 268 E CA 0.386 56.792 56.400 0.010 0.000 0.860 268 E CB 0.317 30.046 29.700 0.049 0.000 0.811 268 E HN 0.023 nan 8.360 nan 0.000 0.502 269 K N 2.036 122.472 120.400 0.059 0.000 2.258 269 K HA 0.181 4.500 4.320 -0.001 0.000 0.264 269 K C 0.091 176.738 176.600 0.079 0.000 1.007 269 K CA 0.049 56.378 56.287 0.070 0.000 0.941 269 K CB 0.689 33.237 32.500 0.080 0.000 0.966 269 K HN -0.049 nan 8.250 nan 0.000 0.480 270 K N 2.308 122.758 120.400 0.084 0.000 2.295 270 K HA 0.056 4.375 4.320 -0.001 0.000 0.270 270 K C -1.621 175.072 176.600 0.156 0.000 1.011 270 K CA -1.551 54.792 56.287 0.093 0.000 0.953 270 K CB 0.167 32.711 32.500 0.073 0.000 0.956 270 K HN 0.173 nan 8.250 nan 0.000 0.477 271 P HA -0.260 nan 4.420 nan 0.000 0.215 271 P C 1.179 178.684 177.300 0.342 0.000 1.163 271 P CA 1.334 64.653 63.100 0.364 0.000 0.894 271 P CB 0.238 31.995 31.700 0.095 0.000 0.791 272 Q N -0.000 119.919 119.800 0.199 0.000 2.226 272 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 272 Q C 1.886 177.992 176.000 0.177 0.000 0.975 272 Q CA 1.620 57.532 55.803 0.182 0.000 0.866 272 Q CB -0.782 28.030 28.738 0.122 0.000 0.915 272 Q HN 0.362 nan 8.270 nan 0.000 0.440 273 E N -0.847 119.444 120.200 0.153 0.000 2.072 273 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 273 E C 1.643 178.321 176.600 0.130 0.000 0.985 273 E CA 1.047 57.523 56.400 0.126 0.000 0.801 273 E CB -0.043 29.718 29.700 0.101 0.000 0.750 273 E HN 0.243 nan 8.360 nan 0.000 0.452 274 L N 0.686 121.987 121.223 0.129 0.000 2.056 274 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 274 L C 2.233 179.181 176.870 0.130 0.000 1.078 274 L CA 1.424 56.304 54.840 0.066 0.000 0.749 274 L CB -0.447 41.552 42.059 -0.100 0.000 0.901 274 L HN 0.151 nan 8.230 nan 0.000 0.433 275 I N -0.628 120.080 120.570 0.229 0.000 2.286 275 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 275 I C 1.959 178.263 176.117 0.312 0.000 1.115 275 I CA 0.949 62.432 61.300 0.306 0.000 1.392 275 I CB -0.425 37.799 38.000 0.373 0.000 1.065 275 I HN 0.255 nan 8.210 nan 0.000 0.418 276 D N 0.538 121.090 120.400 0.253 0.000 2.149 276 D HA -0.136 4.503 4.640 -0.001 0.000 0.198 276 D C 1.987 178.428 176.300 0.236 0.000 0.990 276 D CA 1.685 55.830 54.000 0.241 0.000 0.839 276 D CB -0.042 40.861 40.800 0.172 0.000 0.948 276 D HN 0.392 nan 8.370 nan 0.000 0.460 277 V N -2.003 118.027 119.914 0.192 0.000 3.578 277 V HA 0.181 4.301 4.120 -0.001 0.000 0.290 277 V C 1.808 177.996 176.094 0.158 0.000 1.376 277 V CA 0.150 62.550 62.300 0.166 0.000 1.083 277 V CB 0.218 32.113 31.823 0.120 0.000 0.911 277 V HN -0.033 nan 8.190 nan 0.000 0.433 278 E N 0.945 121.234 120.200 0.148 0.000 2.114 278 E HA -0.276 4.074 4.350 -0.001 0.000 0.199 278 E C 1.470 177.974 176.600 -0.159 0.000 1.008 278 E CA 2.606 59.031 56.400 0.042 0.000 0.810 278 E CB -0.225 29.431 29.700 -0.072 0.000 0.739 278 E HN 0.823 nan 8.360 nan 0.000 0.456 279 W N 0.604 121.909 121.300 0.009 0.000 3.180 279 W HA 0.101 4.761 4.660 -0.001 0.000 0.254 279 W C 1.338 177.825 176.519 -0.054 0.000 1.318 279 W CA -0.219 57.084 57.345 -0.069 0.000 1.608 279 W CB 0.145 29.531 29.460 -0.122 0.000 1.124 279 W HN 0.070 nan 8.180 nan 0.000 0.694 280 N N 0.138 118.924 118.700 0.144 0.000 2.467 280 N HA -0.070 4.670 4.740 -0.001 0.000 0.184 280 N C 1.672 177.191 175.510 0.014 0.000 1.106 280 N CA 1.109 54.209 53.050 0.082 0.000 0.892 280 N CB -0.317 38.218 38.487 0.079 0.000 0.969 280 N HN 0.250 nan 8.380 nan 0.000 0.454 281 V N -2.158 117.735 119.914 -0.035 0.000 3.649 281 V HA 0.261 4.381 4.120 -0.001 0.000 0.275 281 V C 0.746 176.749 176.094 -0.151 0.000 1.281 281 V CA -0.107 62.135 62.300 -0.098 0.000 1.143 281 V CB -0.660 31.083 31.823 -0.134 0.000 0.892 281 V HN -0.022 nan 8.190 nan 0.000 0.441 282 L N 2.481 123.634 121.223 -0.117 0.000 2.453 282 L HA 0.216 4.555 4.340 -0.001 0.000 0.272 282 L C -0.275 176.486 176.870 -0.181 0.000 1.182 282 L CA -0.890 53.877 54.840 -0.121 0.000 0.858 282 L CB 0.674 42.721 42.059 -0.020 0.000 1.120 282 L HN 0.156 nan 8.230 nan 0.000 0.474 283 P HA -0.047 nan 4.420 nan 0.000 0.222 283 P C -0.166 176.657 177.300 -0.796 0.000 1.153 283 P CA 1.141 63.853 63.100 -0.645 0.000 0.798 283 P CB 0.293 31.425 31.700 -0.946 0.000 0.796 284 F N -0.576 119.343 119.950 -0.051 0.000 2.611 284 F HA 0.399 4.925 4.527 -0.001 0.000 0.324 284 F C 0.363 176.147 175.800 -0.025 0.000 1.061 284 F CA -1.543 56.427 58.000 -0.049 0.000 0.954 284 F CB 0.232 39.188 39.000 -0.073 0.000 1.301 284 F HN -0.362 nan 8.300 nan 0.000 0.482 285 D N 1.260 121.775 120.400 0.193 0.000 2.339 285 D HA 0.431 5.070 4.640 -0.001 0.000 0.256 285 D C -0.675 175.683 176.300 0.098 0.000 1.214 285 D CA 0.418 54.479 54.000 0.100 0.000 0.877 285 D CB 0.400 41.241 40.800 0.069 0.000 1.111 285 D HN 0.636 nan 8.370 nan 0.000 0.478 286 S N 2.654 118.399 115.700 0.074 0.000 2.643 286 S HA 0.694 5.163 4.470 -0.001 0.000 0.270 286 S C -0.439 174.173 174.600 0.020 0.000 1.166 286 S CA -1.032 57.200 58.200 0.054 0.000 0.815 286 S CB 0.624 63.877 63.200 0.088 0.000 1.139 286 S HN 0.485 nan 8.310 nan 0.000 0.472 287 I N -2.957 117.618 120.570 0.008 0.000 2.785 287 I HA 0.821 4.991 4.170 -0.001 0.000 0.302 287 I C -0.343 175.756 176.117 -0.030 0.000 1.069 287 I CA -1.063 60.240 61.300 0.005 0.000 1.045 287 I CB 1.445 39.469 38.000 0.040 0.000 1.236 287 I HN 0.800 nan 8.210 nan 0.000 0.429 288 F N 2.037 121.785 119.950 -0.337 0.000 3.074 288 F HA -0.169 4.357 4.527 -0.001 0.000 0.289 288 F C -0.402 174.782 175.800 -1.026 0.000 0.863 288 F CA 0.547 58.061 58.000 -0.811 0.000 1.121 288 F CB -0.622 37.876 39.000 -0.838 0.000 1.169 288 F HN 0.623 nan 8.300 nan 0.000 0.570 289 R N 0.597 120.628 120.500 -0.782 0.000 2.575 289 R HA 0.598 4.937 4.340 -0.001 0.000 0.293 289 R C -0.954 174.939 176.300 -0.678 0.000 0.983 289 R CA -0.505 55.224 56.100 -0.618 0.000 0.887 289 R CB 1.204 31.416 30.300 -0.147 0.000 1.184 289 R HN -0.006 nan 8.270 nan 0.000 0.445 290 F N -0.535 119.520 119.950 0.175 0.000 2.546 290 F HA 0.373 4.900 4.527 -0.001 0.000 0.320 290 F C 1.614 177.327 175.800 -0.145 0.000 1.076 290 F CA -0.885 57.134 58.000 0.031 0.000 0.928 290 F CB 1.641 40.774 39.000 0.222 0.000 1.189 290 F HN 0.347 nan 8.300 nan 0.000 0.465 291 S N 0.723 116.260 115.700 -0.272 0.000 2.343 291 S HA -0.068 4.402 4.470 -0.001 0.000 0.219 291 S C 0.123 174.267 174.600 -0.761 0.000 1.033 291 S CA 1.261 59.086 58.200 -0.625 0.000 1.014 291 S CB -0.270 62.350 63.200 -0.967 0.000 0.915 291 S HN 0.350 nan 8.310 nan 0.000 0.435 292 F N 1.816 121.788 119.950 0.037 0.000 2.325 292 F HA 0.545 5.072 4.527 -0.001 0.000 0.369 292 F C 0.072 175.910 175.800 0.063 0.000 1.095 292 F CA -1.058 57.003 58.000 0.100 0.000 1.082 292 F CB 0.925 40.023 39.000 0.162 0.000 1.289 292 F HN -0.078 nan 8.300 nan 0.000 0.462 293 V N 0.780 120.689 119.914 -0.009 0.000 3.158 293 V HA 0.766 4.885 4.120 -0.001 0.000 0.311 293 V C -2.853 172.930 176.094 -0.518 0.000 1.181 293 V CA -3.380 58.602 62.300 -0.529 0.000 1.054 293 V CB 1.975 33.621 31.823 -0.295 0.000 1.085 293 V HN 0.249 nan 8.190 nan 0.000 0.446 294 P HA 0.142 nan 4.420 nan 0.000 0.266 294 P C -0.813 176.409 177.300 -0.130 0.000 1.186 294 P CA 0.433 63.335 63.100 -0.330 0.000 0.767 294 P CB 0.523 31.951 31.700 -0.452 0.000 0.820 295 V N 4.608 124.551 119.914 0.048 0.000 2.604 295 V HA 0.325 4.445 4.120 -0.001 0.000 0.305 295 V C -0.391 175.770 176.094 0.112 0.000 1.043 295 V CA -0.953 61.367 62.300 0.033 0.000 0.888 295 V CB 1.368 33.229 31.823 0.063 0.000 0.995 295 V HN 0.235 nan 8.190 nan 0.000 0.429 296 I N 7.004 127.566 120.570 -0.014 0.000 2.278 296 I HA 0.215 4.384 4.170 -0.001 0.000 0.300 296 I C 0.924 177.059 176.117 0.031 0.000 1.174 296 I CA 0.170 61.482 61.300 0.020 0.000 1.347 296 I CB -0.110 37.814 38.000 -0.126 0.000 1.473 296 I HN 0.820 nan 8.210 nan 0.000 0.595 297 D N 3.073 123.547 120.400 0.123 0.000 2.367 297 D HA 0.069 4.709 4.640 -0.001 0.000 0.207 297 D C 1.407 177.695 176.300 -0.020 0.000 1.034 297 D CA 0.817 54.788 54.000 -0.049 0.000 0.861 297 D CB 0.511 41.365 40.800 0.090 0.000 0.943 297 D HN 0.618 nan 8.370 nan 0.000 0.515 298 G N 0.218 109.078 108.800 0.101 0.000 2.175 298 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.244 298 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.244 298 G C 0.804 175.773 174.900 0.115 0.000 0.982 298 G CA 0.458 45.616 45.100 0.097 0.000 0.641 298 G HN 0.440 nan 8.290 nan 0.000 0.527 299 E N -1.228 119.055 120.200 0.138 0.000 2.184 299 E HA 0.364 4.714 4.350 -0.001 0.000 0.194 299 E C 1.826 178.451 176.600 0.042 0.000 0.978 299 E CA -0.209 56.251 56.400 0.100 0.000 0.998 299 E CB 0.006 29.787 29.700 0.135 0.000 1.240 299 E HN 0.194 nan 8.360 nan 0.000 0.492 300 F N 0.821 120.694 119.950 -0.127 0.000 2.126 300 F HA -0.071 4.455 4.527 -0.001 0.000 0.299 300 F C 0.350 175.856 175.800 -0.489 0.000 1.096 300 F CA 1.207 58.986 58.000 -0.368 0.000 1.255 300 F CB 0.271 38.934 39.000 -0.562 0.000 0.997 300 F HN -0.103 nan 8.300 nan 0.000 0.479 301 F N 0.416 120.508 119.950 0.236 0.000 2.382 301 F HA 0.353 4.880 4.527 -0.001 0.000 0.361 301 F C -1.663 174.178 175.800 0.068 0.000 1.109 301 F CA -2.904 55.177 58.000 0.135 0.000 1.031 301 F CB 0.675 39.738 39.000 0.105 0.000 1.234 301 F HN -0.244 nan 8.300 nan 0.000 0.445 302 P HA -0.100 nan 4.420 nan 0.000 0.215 302 P C 0.446 177.806 177.300 0.099 0.000 1.157 302 P CA 1.730 64.893 63.100 0.105 0.000 0.868 302 P CB 0.166 31.905 31.700 0.064 0.000 0.788 303 T N -5.785 108.833 114.554 0.108 0.000 2.742 303 T HA 0.495 4.844 4.350 -0.001 0.000 0.282 303 T C -0.125 174.610 174.700 0.059 0.000 1.025 303 T CA -0.739 61.401 62.100 0.067 0.000 1.020 303 T CB 0.800 69.695 68.868 0.044 0.000 1.317 303 T HN 0.012 nan 8.240 nan 0.000 0.538 304 S N 0.221 115.931 115.700 0.017 0.000 2.566 304 S HA 0.088 4.558 4.470 -0.001 0.000 0.280 304 S C 1.201 175.793 174.600 -0.014 0.000 1.343 304 S CA -0.664 57.522 58.200 -0.024 0.000 1.036 304 S CB -0.139 63.045 63.200 -0.027 0.000 0.866 304 S HN 0.558 nan 8.310 nan 0.000 0.526 305 L N 1.510 122.685 121.223 -0.079 0.000 2.042 305 L HA -0.021 4.319 4.340 -0.001 0.000 0.210 305 L C 2.791 179.684 176.870 0.038 0.000 1.076 305 L CA 2.153 56.962 54.840 -0.051 0.000 0.749 305 L CB -1.619 40.343 42.059 -0.161 0.000 0.893 305 L HN 0.959 nan 8.230 nan 0.000 0.432 306 E N -0.383 119.836 120.200 0.031 0.000 2.077 306 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 306 E C 2.337 178.992 176.600 0.091 0.000 0.989 306 E CA 1.516 57.970 56.400 0.089 0.000 0.800 306 E CB -0.147 29.596 29.700 0.072 0.000 0.746 306 E HN 0.538 nan 8.360 nan 0.000 0.452 307 S N -0.564 115.173 115.700 0.060 0.000 2.402 307 S HA -0.136 4.334 4.470 -0.001 0.000 0.229 307 S C 2.116 176.755 174.600 0.065 0.000 1.021 307 S CA 1.153 59.386 58.200 0.055 0.000 0.974 307 S CB -0.334 62.886 63.200 0.033 0.000 0.800 307 S HN 0.254 nan 8.310 nan 0.000 0.484 308 M N 0.902 120.556 119.600 0.090 0.000 2.132 308 M HA 0.071 4.551 4.480 -0.001 0.000 0.263 308 M C 2.175 178.603 176.300 0.214 0.000 1.065 308 M CA 1.358 56.734 55.300 0.126 0.000 1.122 308 M CB -0.576 32.132 32.600 0.180 0.000 1.365 308 M HN 0.307 nan 8.290 nan 0.000 0.411 309 L N -0.091 121.273 121.223 0.236 0.000 2.093 309 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 309 L C 2.161 179.200 176.870 0.282 0.000 1.085 309 L CA 0.851 55.871 54.840 0.300 0.000 0.755 309 L CB -0.771 41.370 42.059 0.137 0.000 0.904 309 L HN 0.351 nan 8.230 nan 0.000 0.435 310 N N -0.257 118.546 118.700 0.171 0.000 2.188 310 N HA -0.133 4.606 4.740 -0.001 0.000 0.184 310 N C 1.962 177.555 175.510 0.137 0.000 1.018 310 N CA 1.706 54.855 53.050 0.165 0.000 0.858 310 N CB -0.171 38.384 38.487 0.115 0.000 0.989 310 N HN 0.336 nan 8.380 nan 0.000 0.426 311 S N -1.012 114.683 115.700 -0.009 0.000 2.593 311 S HA 0.235 4.705 4.470 -0.001 0.000 0.217 311 S C 1.314 175.533 174.600 -0.636 0.000 0.966 311 S CA 0.457 58.559 58.200 -0.165 0.000 0.914 311 S CB 0.130 63.258 63.200 -0.121 0.000 0.776 311 S HN 0.395 nan 8.310 nan 0.000 0.523 312 G N 1.934 110.184 108.800 -0.917 0.000 2.147 312 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.244 312 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.244 312 G C -0.013 174.039 174.900 -1.414 0.000 1.005 312 G CA 0.066 43.972 45.100 -1.990 0.000 0.713 312 G HN 0.579 nan 8.290 nan 0.000 0.515 313 N N 0.618 118.927 118.700 -0.651 0.000 3.050 313 N HA 0.501 5.241 4.740 -0.001 0.000 0.289 313 N C -0.161 175.294 175.510 -0.092 0.000 1.209 313 N CA -0.080 52.770 53.050 -0.332 0.000 1.154 313 N CB -0.879 37.540 38.487 -0.113 0.000 1.444 313 N HN 0.682 nan 8.380 nan 0.000 0.529 314 F N -1.174 118.719 119.950 -0.094 0.000 2.741 314 F HA 0.411 4.938 4.527 -0.000 0.000 0.311 314 F C -0.271 175.542 175.800 0.021 0.000 1.149 314 F CA -1.448 56.569 58.000 0.027 0.000 0.930 314 F CB 0.619 39.700 39.000 0.134 0.000 1.312 314 F HN -0.174 nan 8.300 nan 0.000 0.450 315 K N 1.632 122.267 120.400 0.391 0.000 2.451 315 K HA 0.184 4.504 4.320 -0.001 0.000 0.280 315 K C -1.054 175.767 176.600 0.368 0.000 1.020 315 K CA -0.131 56.300 56.287 0.240 0.000 1.008 315 K CB 0.488 33.082 32.500 0.157 0.000 0.917 315 K HN 0.648 nan 8.250 nan 0.000 0.478 316 K N 2.708 123.203 120.400 0.158 0.000 2.264 316 K HA 0.224 4.543 4.320 -0.001 0.000 0.277 316 K C -0.258 176.448 176.600 0.176 0.000 1.067 316 K CA -0.226 56.155 56.287 0.157 0.000 0.900 316 K CB 1.842 34.351 32.500 0.016 0.000 1.124 316 K HN 0.693 nan 8.250 nan 0.000 0.469 317 T N 1.276 116.016 114.554 0.310 0.000 2.647 317 T HA 0.311 4.660 4.350 -0.001 0.000 0.302 317 T C -1.460 173.426 174.700 0.310 0.000 1.389 317 T CA -0.675 61.561 62.100 0.227 0.000 1.037 317 T CB 0.555 69.525 68.868 0.168 0.000 1.755 317 T HN 0.379 nan 8.240 nan 0.000 0.467 318 Q N 1.028 120.975 119.800 0.244 0.000 2.222 318 Q HA 0.765 5.105 4.340 -0.001 0.000 0.252 318 Q C -0.421 175.859 176.000 0.467 0.000 0.926 318 Q CA -0.500 55.502 55.803 0.331 0.000 0.899 318 Q CB 1.440 30.338 28.738 0.267 0.000 1.250 318 Q HN 0.682 nan 8.270 nan 0.000 0.441 319 I N -1.362 119.433 120.570 0.376 0.000 2.769 319 I HA 0.703 4.873 4.170 -0.001 0.000 0.298 319 I C -1.509 174.492 176.117 -0.194 0.000 1.128 319 I CA -1.372 60.010 61.300 0.136 0.000 1.031 319 I CB 1.868 39.753 38.000 -0.192 0.000 1.235 319 I HN 0.547 nan 8.210 nan 0.000 0.423 320 L N 7.030 127.908 121.223 -0.576 0.000 2.381 320 L HA 0.799 5.139 4.340 -0.001 0.000 0.274 320 L C -1.325 175.330 176.870 -0.358 0.000 0.988 320 L CA -0.519 53.870 54.840 -0.751 0.000 0.824 320 L CB 1.650 42.722 42.059 -1.644 0.000 1.263 320 L HN 0.851 nan 8.230 nan 0.000 0.410 321 L N 2.373 123.514 121.223 -0.137 0.000 2.600 321 L HA 1.113 5.453 4.340 -0.001 0.000 0.257 321 L C -0.778 175.889 176.870 -0.339 0.000 1.048 321 L CA -0.449 54.341 54.840 -0.084 0.000 0.869 321 L CB 1.912 43.910 42.059 -0.101 0.000 1.482 321 L HN 0.674 nan 8.230 nan 0.000 0.408 322 G N -0.119 108.283 108.800 -0.664 0.000 2.430 322 G HA2 0.606 4.565 3.960 -0.001 0.000 0.300 322 G HA3 0.606 4.565 3.960 -0.001 0.000 0.300 322 G C -1.527 173.048 174.900 -0.542 0.000 1.330 322 G CA 0.002 44.323 45.100 -1.298 0.000 0.813 322 G HN 1.463 nan 8.290 nan 0.000 0.487 323 V N -2.679 117.088 119.914 -0.244 0.000 3.160 323 V HA 0.760 4.879 4.120 -0.001 0.000 0.310 323 V C -0.511 175.725 176.094 0.236 0.000 1.181 323 V CA -1.371 60.998 62.300 0.114 0.000 1.047 323 V CB 1.619 33.534 31.823 0.153 0.000 1.068 323 V HN 0.830 nan 8.190 nan 0.000 0.441 324 N N 0.337 119.177 118.700 0.233 0.000 2.472 324 N HA 0.358 5.098 4.740 -0.001 0.000 0.289 324 N C 0.445 175.995 175.510 0.067 0.000 1.156 324 N CA -0.628 52.536 53.050 0.191 0.000 0.940 324 N CB 2.101 40.763 38.487 0.292 0.000 1.200 324 N HN 0.852 nan 8.380 nan 0.000 0.511 325 K N 0.366 120.699 120.400 -0.111 0.000 2.097 325 K HA -0.098 4.222 4.320 -0.001 0.000 0.206 325 K C -0.436 176.292 176.600 0.214 0.000 1.049 325 K CA 1.267 57.580 56.287 0.044 0.000 0.933 325 K CB 0.215 32.705 32.500 -0.018 0.000 0.717 325 K HN 0.544 nan 8.250 nan 0.000 0.442 326 D N 1.084 121.595 120.400 0.185 0.000 2.607 326 D HA 0.036 4.676 4.640 -0.001 0.000 0.318 326 D C 0.083 176.521 176.300 0.231 0.000 1.212 326 D CA -0.091 54.032 54.000 0.205 0.000 0.861 326 D CB 1.321 42.221 40.800 0.166 0.000 1.064 326 D HN 0.153 nan 8.370 nan 0.000 0.500 327 E N 0.530 120.892 120.200 0.270 0.000 2.110 327 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 327 E C 1.929 178.749 176.600 0.366 0.000 0.988 327 E CA 0.700 57.309 56.400 0.349 0.000 0.804 327 E CB 0.145 30.047 29.700 0.338 0.000 0.745 327 E HN 0.415 nan 8.360 nan 0.000 0.458 328 G N 1.124 110.109 108.800 0.308 0.000 2.880 328 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.209 328 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.209 328 G C 1.663 176.737 174.900 0.290 0.000 1.157 328 G CA 0.695 46.009 45.100 0.357 0.000 0.779 328 G HN 0.332 nan 8.290 nan 0.000 0.539 329 S N 0.509 116.335 115.700 0.211 0.000 2.383 329 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 329 S C 2.054 176.660 174.600 0.009 0.000 1.030 329 S CA 1.089 59.381 58.200 0.153 0.000 1.002 329 S CB -0.562 62.656 63.200 0.029 0.000 0.829 329 S HN 0.250 nan 8.310 nan 0.000 0.467 330 F N 1.856 121.630 119.950 -0.293 0.000 2.134 330 F HA 0.037 4.563 4.527 -0.001 0.000 0.299 330 F C 1.677 177.142 175.800 -0.557 0.000 1.097 330 F CA 1.278 58.928 58.000 -0.582 0.000 1.264 330 F CB -0.372 38.062 39.000 -0.943 0.000 1.001 330 F HN 0.179 nan 8.300 nan 0.000 0.479 331 F N -0.420 119.483 119.950 -0.078 0.000 2.325 331 F HA -0.070 4.457 4.527 -0.001 0.000 0.299 331 F C 2.031 177.748 175.800 -0.139 0.000 1.090 331 F CA 0.707 58.619 58.000 -0.148 0.000 1.392 331 F CB -0.732 38.134 39.000 -0.223 0.000 1.053 331 F HN -0.080 nan 8.300 nan 0.000 0.521 332 L N -0.802 120.376 121.223 -0.075 0.000 2.131 332 L HA -0.125 4.214 4.340 -0.001 0.000 0.206 332 L C 2.391 179.060 176.870 -0.335 0.000 1.087 332 L CA 0.379 54.959 54.840 -0.434 0.000 0.767 332 L CB -0.515 40.961 42.059 -0.972 0.000 0.917 332 L HN 0.156 nan 8.230 nan 0.000 0.441 333 L N -0.876 120.340 121.223 -0.013 0.000 2.042 333 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 333 L C 2.286 179.223 176.870 0.112 0.000 1.076 333 L CA 2.020 56.999 54.840 0.233 0.000 0.749 333 L CB -0.680 41.539 42.059 0.267 0.000 0.893 333 L HN 0.120 nan 8.230 nan 0.000 0.432 334 Y N -0.711 119.480 120.300 -0.181 0.000 2.457 334 Y HA 0.164 4.714 4.550 -0.001 0.000 0.292 334 Y C 2.246 178.069 175.900 -0.127 0.000 1.125 334 Y CA 0.940 58.933 58.100 -0.178 0.000 1.254 334 Y CB -0.187 38.103 38.460 -0.282 0.000 1.012 334 Y HN 0.311 nan 8.280 nan 0.000 0.555 335 G N -1.949 106.868 108.800 0.028 0.000 2.801 335 G HA2 0.372 4.332 3.960 -0.001 0.000 0.191 335 G HA3 0.372 4.332 3.960 -0.001 0.000 0.191 335 G C 0.036 174.940 174.900 0.006 0.000 1.223 335 G CA 0.303 45.401 45.100 -0.003 0.000 0.904 335 G HN 0.268 nan 8.290 nan 0.000 0.789 336 A N 2.133 124.949 122.820 -0.007 0.000 2.331 336 A HA 0.698 5.018 4.320 -0.001 0.000 0.283 336 A C -2.208 175.515 177.584 0.230 0.000 1.142 336 A CA -1.272 50.803 52.037 0.062 0.000 0.812 336 A CB 0.448 19.396 19.000 -0.087 0.000 1.074 336 A HN 0.114 nan 8.150 nan 0.000 0.497 337 P HA 0.275 nan 4.420 nan 0.000 0.271 337 P C 0.829 178.214 177.300 0.142 0.000 1.216 337 P CA 1.282 64.462 63.100 0.133 0.000 0.771 337 P CB 1.179 32.922 31.700 0.071 0.000 0.864 338 G N 1.798 110.621 108.800 0.038 0.000 2.232 338 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.226 338 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.226 338 G C -0.257 174.465 174.900 -0.295 0.000 0.996 338 G CA -0.483 44.531 45.100 -0.143 0.000 0.626 338 G HN 0.425 nan 8.290 nan 0.000 0.509 339 F N 2.338 122.220 119.950 -0.113 0.000 2.404 339 F HA 0.680 5.207 4.527 -0.001 0.000 0.339 339 F C 0.828 176.612 175.800 -0.026 0.000 1.105 339 F CA -0.027 57.875 58.000 -0.162 0.000 1.087 339 F CB 2.118 41.061 39.000 -0.095 0.000 1.143 339 F HN 0.395 nan 8.300 nan 0.000 0.491 340 S N 1.440 117.246 115.700 0.177 0.000 2.550 340 S HA 0.356 4.825 4.470 -0.001 0.000 0.270 340 S C 0.166 174.965 174.600 0.332 0.000 1.145 340 S CA -1.124 57.204 58.200 0.214 0.000 0.852 340 S CB 2.027 65.282 63.200 0.090 0.000 1.119 340 S HN 0.692 nan 8.310 nan 0.000 0.465 341 K N 0.011 120.561 120.400 0.250 0.000 2.148 341 K HA -0.035 4.284 4.320 -0.001 0.000 0.204 341 K C -0.036 176.616 176.600 0.087 0.000 1.050 341 K CA 1.533 57.894 56.287 0.123 0.000 0.942 341 K CB -0.157 32.113 32.500 -0.383 0.000 0.724 341 K HN 0.630 nan 8.250 nan 0.000 0.446 342 D N 0.434 120.861 120.400 0.045 0.000 2.342 342 D HA 0.016 4.656 4.640 -0.001 0.000 0.221 342 D C 0.027 176.361 176.300 0.057 0.000 1.101 342 D CA 0.125 54.136 54.000 0.019 0.000 0.837 342 D CB 0.686 41.468 40.800 -0.029 0.000 0.938 342 D HN 0.190 nan 8.370 nan 0.000 0.508 343 S N -1.168 114.592 115.700 0.100 0.000 2.745 343 S HA 0.365 4.835 4.470 -0.001 0.000 0.306 343 S C 0.643 175.290 174.600 0.078 0.000 1.137 343 S CA -0.754 57.472 58.200 0.044 0.000 0.900 343 S CB 1.996 65.177 63.200 -0.032 0.000 1.176 343 S HN -0.119 nan 8.310 nan 0.000 0.520 344 E N 0.553 120.744 120.200 -0.015 0.000 2.502 344 E HA 0.163 4.512 4.350 -0.001 0.000 0.194 344 E C -0.453 175.895 176.600 -0.421 0.000 1.062 344 E CA 0.154 56.533 56.400 -0.034 0.000 0.867 344 E CB -0.096 29.603 29.700 -0.002 0.000 0.888 344 E HN 0.646 nan 8.360 nan 0.000 0.510 345 S N 1.435 116.827 115.700 -0.513 0.000 3.628 345 S HA -0.176 4.294 4.470 -0.001 0.000 0.373 345 S C -0.218 173.971 174.600 -0.684 0.000 0.968 345 S CA 0.706 58.442 58.200 -0.772 0.000 1.215 345 S CB -1.143 61.192 63.200 -1.442 0.000 0.912 345 S HN 0.293 nan 8.310 nan 0.000 0.495 346 K N 1.038 121.196 120.400 -0.404 0.000 2.379 346 K HA 0.250 4.569 4.320 -0.001 0.000 0.284 346 K C 0.358 176.761 176.600 -0.328 0.000 1.044 346 K CA -0.166 55.942 56.287 -0.299 0.000 0.974 346 K CB 0.386 32.779 32.500 -0.178 0.000 0.962 346 K HN 0.222 nan 8.250 nan 0.000 0.474 347 I N 2.868 123.248 120.570 -0.316 0.000 2.353 347 I HA 0.039 4.208 4.170 -0.001 0.000 0.293 347 I C 1.042 177.085 176.117 -0.122 0.000 0.992 347 I CA -0.262 60.880 61.300 -0.262 0.000 1.268 347 I CB 1.011 38.862 38.000 -0.249 0.000 1.387 347 I HN 0.644 nan 8.210 nan 0.000 0.478 348 S N 5.978 121.625 115.700 -0.088 0.000 2.614 348 S HA 0.257 4.726 4.470 -0.001 0.000 0.265 348 S C 1.165 175.773 174.600 0.013 0.000 1.303 348 S CA -0.424 57.749 58.200 -0.044 0.000 1.000 348 S CB 1.548 64.728 63.200 -0.034 0.000 0.935 348 S HN 0.590 nan 8.310 nan 0.000 0.551 349 R N 0.946 121.450 120.500 0.006 0.000 2.091 349 R HA -0.104 4.236 4.340 -0.001 0.000 0.238 349 R C 2.174 178.553 176.300 0.132 0.000 1.136 349 R CA 2.118 58.245 56.100 0.045 0.000 0.959 349 R CB -1.086 29.226 30.300 0.019 0.000 0.856 349 R HN 0.908 nan 8.270 nan 0.000 0.437 350 E N 0.416 120.666 120.200 0.084 0.000 2.038 350 E HA -0.178 4.172 4.350 -0.001 0.000 0.195 350 E C 1.326 177.983 176.600 0.096 0.000 1.000 350 E CA 2.120 58.570 56.400 0.083 0.000 0.803 350 E CB -0.392 29.336 29.700 0.047 0.000 0.750 350 E HN 0.313 nan 8.360 nan 0.000 0.448 351 D N -0.695 119.752 120.400 0.079 0.000 2.218 351 D HA -0.139 4.500 4.640 -0.001 0.000 0.204 351 D C 1.625 178.003 176.300 0.130 0.000 0.976 351 D CA 0.656 54.703 54.000 0.078 0.000 0.853 351 D CB -0.366 40.447 40.800 0.021 0.000 0.939 351 D HN 0.245 nan 8.370 nan 0.000 0.481 352 F N 0.980 120.943 119.950 0.021 0.000 2.134 352 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 352 F C 2.258 178.092 175.800 0.057 0.000 1.097 352 F CA 1.230 59.256 58.000 0.043 0.000 1.264 352 F CB -0.145 38.856 39.000 0.003 0.000 1.001 352 F HN -0.158 nan 8.300 nan 0.000 0.479 353 M N -0.658 119.045 119.600 0.171 0.000 2.159 353 M HA -0.201 4.278 4.480 -0.001 0.000 0.263 353 M C 2.269 178.566 176.300 -0.005 0.000 1.063 353 M CA 1.663 57.013 55.300 0.082 0.000 1.110 353 M CB -0.716 31.968 32.600 0.140 0.000 1.374 353 M HN 0.084 nan 8.290 nan 0.000 0.411 354 S N 0.630 116.342 115.700 0.019 0.000 2.368 354 S HA -0.070 4.400 4.470 -0.001 0.000 0.224 354 S C 2.035 176.623 174.600 -0.020 0.000 1.029 354 S CA 1.377 59.584 58.200 0.012 0.000 0.988 354 S CB -0.746 62.476 63.200 0.037 0.000 0.838 354 S HN 0.681 nan 8.310 nan 0.000 0.462 355 G N 1.422 110.196 108.800 -0.044 0.000 2.418 355 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 355 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 355 G C 1.452 176.261 174.900 -0.152 0.000 1.158 355 G CA 1.007 46.062 45.100 -0.075 0.000 0.771 355 G HN 0.418 nan 8.290 nan 0.000 0.545 356 V N 0.986 120.742 119.914 -0.263 0.000 2.343 356 V HA -0.166 3.954 4.120 -0.001 0.000 0.247 356 V C 2.696 178.742 176.094 -0.080 0.000 1.051 356 V CA 2.317 64.490 62.300 -0.212 0.000 1.036 356 V CB -0.369 31.315 31.823 -0.232 0.000 0.654 356 V HN 0.405 nan 8.190 nan 0.000 0.451 357 K N 0.464 120.830 120.400 -0.058 0.000 2.057 357 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 357 K C 1.884 178.469 176.600 -0.025 0.000 1.049 357 K CA 1.670 57.939 56.287 -0.030 0.000 0.931 357 K CB -0.512 31.980 32.500 -0.014 0.000 0.714 357 K HN 0.426 nan 8.250 nan 0.000 0.440 358 L N 0.123 121.334 121.223 -0.020 0.000 2.141 358 L HA -0.101 4.239 4.340 -0.001 0.000 0.209 358 L C 2.079 178.950 176.870 0.001 0.000 1.094 358 L CA 1.214 56.052 54.840 -0.004 0.000 0.763 358 L CB -0.272 41.785 42.059 -0.003 0.000 0.908 358 L HN 0.134 nan 8.230 nan 0.000 0.437 359 S N -1.034 114.661 115.700 -0.008 0.000 2.436 359 S HA 0.019 4.489 4.470 -0.001 0.000 0.228 359 S C 0.928 175.581 174.600 0.087 0.000 1.014 359 S CA 0.399 58.610 58.200 0.019 0.000 0.950 359 S CB 0.325 63.515 63.200 -0.016 0.000 0.784 359 S HN 0.152 nan 8.310 nan 0.000 0.504 360 V N 3.136 123.082 119.914 0.052 0.000 2.361 360 V HA 0.210 4.329 4.120 -0.001 0.000 0.252 360 V C -1.757 174.327 176.094 -0.016 0.000 0.986 360 V CA -1.339 60.998 62.300 0.062 0.000 1.033 360 V CB 0.807 32.663 31.823 0.054 0.000 1.282 360 V HN 0.176 nan 8.190 nan 0.000 0.514 361 P HA -0.170 nan 4.420 nan 0.000 0.218 361 P C 0.905 177.840 177.300 -0.608 0.000 1.148 361 P CA 1.453 64.374 63.100 -0.299 0.000 0.822 361 P CB 0.316 31.879 31.700 -0.228 0.000 0.784 362 H N -0.485 118.336 119.070 -0.415 0.000 2.543 362 H HA 0.388 4.944 4.556 -0.001 0.000 0.269 362 H C 0.811 176.008 175.328 -0.218 0.000 1.005 362 H CA 0.100 55.926 56.048 -0.370 0.000 1.146 362 H CB -0.317 29.338 29.762 -0.179 0.000 1.353 362 H HN 0.168 nan 8.280 nan 0.000 0.595 363 A N 0.955 123.717 122.820 -0.097 0.000 2.306 363 A HA 0.379 4.699 4.320 -0.001 0.000 0.314 363 A C 0.196 177.732 177.584 -0.079 0.000 1.164 363 A CA -0.905 51.093 52.037 -0.066 0.000 0.822 363 A CB 0.449 19.428 19.000 -0.035 0.000 1.130 363 A HN 0.520 nan 8.150 nan 0.000 0.496 364 N N 1.164 119.829 118.700 -0.058 0.000 2.364 364 N HA 0.179 4.918 4.740 -0.001 0.000 0.264 364 N C -0.056 175.441 175.510 -0.021 0.000 1.263 364 N CA -0.337 52.687 53.050 -0.043 0.000 0.959 364 N CB 0.111 38.576 38.487 -0.036 0.000 1.204 364 N HN 0.456 nan 8.380 nan 0.000 0.550 365 D N -0.842 119.553 120.400 -0.009 0.000 2.133 365 D HA -0.146 4.493 4.640 -0.001 0.000 0.195 365 D C 1.649 177.963 176.300 0.024 0.000 0.997 365 D CA 0.935 54.941 54.000 0.011 0.000 0.840 365 D CB -0.277 40.531 40.800 0.013 0.000 0.947 365 D HN 0.458 nan 8.370 nan 0.000 0.452 366 L N 0.464 121.695 121.223 0.015 0.000 2.046 366 L HA 0.026 4.366 4.340 -0.001 0.000 0.208 366 L C 2.168 179.062 176.870 0.041 0.000 1.077 366 L CA 1.985 56.842 54.840 0.027 0.000 0.747 366 L CB -0.879 41.185 42.059 0.008 0.000 0.896 366 L HN 0.081 nan 8.230 nan 0.000 0.432 367 G N -0.523 108.281 108.800 0.008 0.000 2.418 367 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 367 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 367 G C 1.586 176.522 174.900 0.060 0.000 1.158 367 G CA 1.059 46.161 45.100 0.004 0.000 0.771 367 G HN 0.433 nan 8.290 nan 0.000 0.545 368 L N 0.460 121.714 121.223 0.052 0.000 2.093 368 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 368 L C 2.468 179.411 176.870 0.121 0.000 1.085 368 L CA 1.051 55.935 54.840 0.073 0.000 0.755 368 L CB -0.351 41.737 42.059 0.048 0.000 0.904 368 L HN 0.095 nan 8.230 nan 0.000 0.435 369 D N 0.342 120.814 120.400 0.120 0.000 2.144 369 D HA -0.152 4.488 4.640 -0.001 0.000 0.199 369 D C 2.235 178.646 176.300 0.186 0.000 0.984 369 D CA 1.479 55.570 54.000 0.152 0.000 0.834 369 D CB -0.008 40.859 40.800 0.112 0.000 0.955 369 D HN 0.315 nan 8.370 nan 0.000 0.465 370 A N 0.796 123.735 122.820 0.199 0.000 1.877 370 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 370 A C 2.576 180.295 177.584 0.224 0.000 1.186 370 A CA 1.388 53.599 52.037 0.290 0.000 0.620 370 A CB -0.830 18.427 19.000 0.428 0.000 0.822 370 A HN 0.141 nan 8.150 nan 0.000 0.443 371 V N -0.228 119.830 119.914 0.241 0.000 2.295 371 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 371 V C 2.748 178.951 176.094 0.182 0.000 1.049 371 V CA 2.497 64.873 62.300 0.128 0.000 1.024 371 V CB -1.374 30.538 31.823 0.148 0.000 0.648 371 V HN 0.613 nan 8.190 nan 0.000 0.447 372 T N 0.618 115.311 114.554 0.231 0.000 2.684 372 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 372 T C 1.908 176.799 174.700 0.319 0.000 1.036 372 T CA 2.032 64.340 62.100 0.346 0.000 1.148 372 T CB -0.395 68.695 68.868 0.370 0.000 0.863 372 T HN 0.333 nan 8.240 nan 0.000 0.436 373 L N 1.106 122.519 121.223 0.316 0.000 2.046 373 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 373 L C 2.452 179.396 176.870 0.123 0.000 1.077 373 L CA 1.818 56.881 54.840 0.371 0.000 0.747 373 L CB -0.721 41.487 42.059 0.249 0.000 0.896 373 L HN 0.102 nan 8.230 nan 0.000 0.432 374 Q N -1.229 118.518 119.800 -0.088 0.000 2.167 374 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 374 Q C 0.922 176.682 176.000 -0.400 0.000 0.970 374 Q CA 1.763 57.335 55.803 -0.386 0.000 0.855 374 Q CB -0.165 28.016 28.738 -0.930 0.000 0.911 374 Q HN 0.702 nan 8.270 nan 0.000 0.438 375 Y N -0.985 119.255 120.300 -0.100 0.000 2.636 375 Y HA 0.359 4.908 4.550 -0.001 0.000 0.260 375 Y C -0.334 175.494 175.900 -0.120 0.000 1.177 375 Y CA -0.246 57.845 58.100 -0.014 0.000 1.209 375 Y CB 0.872 39.432 38.460 0.167 0.000 1.166 375 Y HN -0.198 nan 8.280 nan 0.000 0.531 376 T N 0.221 114.632 114.554 -0.238 0.000 2.829 376 T HA 0.140 4.489 4.350 -0.001 0.000 0.280 376 T C -1.040 173.218 174.700 -0.737 0.000 0.999 376 T CA -0.714 60.972 62.100 -0.690 0.000 0.983 376 T CB 1.465 69.558 68.868 -1.293 0.000 0.968 376 T HN -0.029 nan 8.240 nan 0.000 0.446 377 D N 1.640 121.680 120.400 -0.600 0.000 2.456 377 D HA 0.153 4.793 4.640 -0.001 0.000 0.219 377 D C 0.077 176.145 176.300 -0.386 0.000 1.126 377 D CA -0.818 52.962 54.000 -0.368 0.000 0.890 377 D CB 0.321 40.990 40.800 -0.218 0.000 1.025 377 D HN 0.602 nan 8.370 nan 0.000 0.511 378 W N 2.978 124.236 121.300 -0.069 0.000 2.721 378 W HA 0.021 4.680 4.660 -0.001 0.000 0.245 378 W C 1.968 178.458 176.519 -0.050 0.000 1.276 378 W CA -0.082 57.228 57.345 -0.059 0.000 1.342 378 W CB -0.086 29.346 29.460 -0.048 0.000 1.135 378 W HN 0.383 nan 8.180 nan 0.000 0.654 379 M N -0.738 118.920 119.600 0.097 0.000 2.541 379 M HA 0.011 4.491 4.480 -0.001 0.000 0.252 379 M C 0.066 176.375 176.300 0.014 0.000 1.125 379 M CA 1.177 56.511 55.300 0.057 0.000 1.091 379 M CB 0.190 32.807 32.600 0.028 0.000 1.420 379 M HN -0.204 nan 8.290 nan 0.000 0.486 380 D N 0.116 120.498 120.400 -0.030 0.000 3.602 380 D HA 0.001 4.640 4.640 -0.001 0.000 0.275 380 D C -0.194 176.032 176.300 -0.124 0.000 1.348 380 D CA -0.026 53.939 54.000 -0.058 0.000 0.768 380 D CB 0.200 40.966 40.800 -0.056 0.000 1.373 380 D HN 0.125 nan 8.370 nan 0.000 0.683 381 D N -0.784 119.538 120.400 -0.131 0.000 2.363 381 D HA -0.027 4.612 4.640 -0.001 0.000 0.226 381 D C 0.445 176.628 176.300 -0.194 0.000 1.020 381 D CA 0.188 54.040 54.000 -0.248 0.000 0.892 381 D CB 0.028 40.664 40.800 -0.273 0.000 0.900 381 D HN 0.143 nan 8.370 nan 0.000 0.531 382 N N 0.186 118.816 118.700 -0.117 0.000 2.205 382 N HA -0.015 4.724 4.740 -0.001 0.000 0.201 382 N C -0.304 175.148 175.510 -0.097 0.000 1.128 382 N CA -0.183 52.812 53.050 -0.091 0.000 0.867 382 N CB 0.028 38.486 38.487 -0.049 0.000 0.996 382 N HN 0.328 nan 8.380 nan 0.000 0.503 383 N N 0.479 119.111 118.700 -0.113 0.000 2.406 383 N HA 0.042 4.782 4.740 -0.001 0.000 0.265 383 N C 1.498 176.943 175.510 -0.110 0.000 1.203 383 N CA -0.216 52.776 53.050 -0.097 0.000 0.945 383 N CB 0.616 39.048 38.487 -0.092 0.000 1.165 383 N HN 0.056 nan 8.380 nan 0.000 0.485 384 G N 3.667 112.408 108.800 -0.097 0.000 2.450 384 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 384 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 384 G C 1.297 176.133 174.900 -0.107 0.000 1.130 384 G CA 0.624 45.656 45.100 -0.114 0.000 0.760 384 G HN 0.665 nan 8.290 nan 0.000 0.557 385 I N 0.005 120.531 120.570 -0.073 0.000 2.233 385 I HA -0.106 4.064 4.170 -0.001 0.000 0.243 385 I C 2.809 178.920 176.117 -0.009 0.000 1.093 385 I CA 1.114 62.393 61.300 -0.035 0.000 1.380 385 I CB -0.146 37.849 38.000 -0.010 0.000 1.067 385 I HN 0.121 nan 8.210 nan 0.000 0.413 386 K N 0.735 121.113 120.400 -0.038 0.000 2.057 386 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 386 K C 1.799 178.372 176.600 -0.044 0.000 1.050 386 K CA 1.579 57.842 56.287 -0.040 0.000 0.935 386 K CB -0.293 32.149 32.500 -0.097 0.000 0.715 386 K HN 0.408 nan 8.250 nan 0.000 0.439 387 N N 0.463 119.099 118.700 -0.106 0.000 2.084 387 N HA -0.179 4.560 4.740 -0.001 0.000 0.190 387 N C 1.984 177.620 175.510 0.208 0.000 1.030 387 N CA 0.624 53.624 53.050 -0.083 0.000 0.849 387 N CB -0.010 38.405 38.487 -0.120 0.000 1.012 387 N HN 0.123 nan 8.380 nan 0.000 0.423 388 R N 1.514 122.064 120.500 0.083 0.000 2.070 388 R HA -0.147 4.193 4.340 -0.001 0.000 0.233 388 R C 0.860 177.329 176.300 0.281 0.000 1.137 388 R CA 1.764 57.935 56.100 0.119 0.000 0.945 388 R CB -0.308 29.937 30.300 -0.091 0.000 0.845 388 R HN 0.195 nan 8.270 nan 0.000 0.430 389 D N -0.489 120.043 120.400 0.220 0.000 2.117 389 D HA -0.085 4.555 4.640 -0.001 0.000 0.197 389 D C 1.761 178.229 176.300 0.281 0.000 0.987 389 D CA 1.510 55.660 54.000 0.250 0.000 0.829 389 D CB -0.623 40.289 40.800 0.186 0.000 0.961 389 D HN 0.510 nan 8.370 nan 0.000 0.460 390 G N 0.785 109.761 108.800 0.294 0.000 2.418 390 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 390 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 390 G C 1.725 176.852 174.900 0.378 0.000 1.158 390 G CA 0.197 45.537 45.100 0.400 0.000 0.771 390 G HN 0.253 nan 8.290 nan 0.000 0.545 391 L N 0.123 121.587 121.223 0.402 0.000 2.093 391 L HA -0.069 4.271 4.340 -0.001 0.000 0.208 391 L C 2.595 179.549 176.870 0.141 0.000 1.085 391 L CA 1.372 56.318 54.840 0.177 0.000 0.755 391 L CB -0.247 41.964 42.059 0.252 0.000 0.904 391 L HN 0.194 nan 8.230 nan 0.000 0.435 392 D N 0.040 120.590 120.400 0.249 0.000 2.117 392 D HA -0.215 4.424 4.640 -0.001 0.000 0.197 392 D C 1.677 178.089 176.300 0.186 0.000 0.987 392 D CA 1.324 55.468 54.000 0.239 0.000 0.829 392 D CB 0.071 41.067 40.800 0.328 0.000 0.961 392 D HN 0.248 nan 8.370 nan 0.000 0.460 393 D N -0.116 120.410 120.400 0.210 0.000 2.117 393 D HA -0.095 4.544 4.640 -0.001 0.000 0.198 393 D C 2.331 178.676 176.300 0.076 0.000 0.982 393 D CA 0.422 54.562 54.000 0.233 0.000 0.828 393 D CB -0.298 40.751 40.800 0.415 0.000 0.967 393 D HN 0.346 nan 8.370 nan 0.000 0.464 394 I N 0.559 121.018 120.570 -0.184 0.000 2.151 394 I HA -0.264 3.906 4.170 -0.001 0.000 0.243 394 I C 2.386 178.382 176.117 -0.201 0.000 1.080 394 I CA 0.793 61.872 61.300 -0.367 0.000 1.339 394 I CB -0.200 37.561 38.000 -0.399 0.000 1.039 394 I HN -0.090 nan 8.210 nan 0.000 0.409 395 V N 0.845 120.699 119.914 -0.100 0.000 2.295 395 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 395 V C 2.540 178.560 176.094 -0.124 0.000 1.049 395 V CA 2.193 64.444 62.300 -0.082 0.000 1.024 395 V CB -1.398 30.450 31.823 0.042 0.000 0.648 395 V HN 0.580 nan 8.190 nan 0.000 0.447 396 G N -0.448 108.346 108.800 -0.010 0.000 2.402 396 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 396 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 396 G C 1.221 176.078 174.900 -0.072 0.000 1.162 396 G CA 0.899 46.011 45.100 0.020 0.000 0.777 396 G HN 0.491 nan 8.290 nan 0.000 0.539 397 D N -0.100 120.254 120.400 -0.077 0.000 2.084 397 D HA -0.100 4.539 4.640 -0.001 0.000 0.194 397 D C 2.132 178.140 176.300 -0.486 0.000 0.990 397 D CA 1.250 55.169 54.000 -0.137 0.000 0.826 397 D CB -0.474 40.380 40.800 0.090 0.000 0.971 397 D HN 0.348 nan 8.370 nan 0.000 0.453 398 H N 0.831 119.292 119.070 -1.016 0.000 2.357 398 H HA 0.037 4.593 4.556 -0.001 0.000 0.301 398 H C 1.437 176.370 175.328 -0.660 0.000 1.082 398 H CA 1.518 56.820 56.048 -1.243 0.000 1.342 398 H CB 0.022 28.866 29.762 -1.531 0.000 1.389 398 H HN 0.023 nan 8.280 nan 0.000 0.511 399 N N -0.783 117.500 118.700 -0.696 0.000 2.405 399 N HA 0.002 4.742 4.740 -0.001 0.000 0.175 399 N C 1.218 176.484 175.510 -0.406 0.000 1.051 399 N CA 0.978 53.565 53.050 -0.771 0.000 0.899 399 N CB 1.141 38.706 38.487 -1.536 0.000 1.000 399 N HN 0.255 nan 8.380 nan 0.000 0.451 400 V N 0.461 120.222 119.914 -0.254 0.000 3.278 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.215 400 V C 2.082 178.165 176.094 -0.019 0.000 1.287 400 V CA -0.042 62.234 62.300 -0.041 0.000 1.302 400 V CB 0.085 31.965 31.823 0.095 0.000 1.228 400 V HN -0.063 nan 8.190 nan 0.000 0.523 401 I N 0.643 121.214 120.570 0.001 0.000 2.113 401 I HA -0.282 3.887 4.170 -0.001 0.000 0.238 401 I C 2.583 178.712 176.117 0.020 0.000 1.070 401 I CA 1.931 63.251 61.300 0.033 0.000 1.332 401 I CB -0.518 37.531 38.000 0.082 0.000 1.044 401 I HN 0.382 nan 8.210 nan 0.000 0.402 402 c N 0.730 119.335 118.600 0.008 0.000 2.425 402 c HA -0.043 4.527 4.570 -0.001 0.000 0.277 402 c C 0.274 174.400 174.090 0.060 0.000 1.280 402 c CA 0.704 57.075 56.329 0.070 0.000 1.744 402 c CB -1.845 40.744 42.510 0.132 0.000 1.989 402 c HN 0.362 nan 8.230 nan 0.000 0.491 403 P HA -0.088 nan 4.420 nan 0.000 0.217 403 P C 1.749 179.084 177.300 0.058 0.000 1.150 403 P CA 1.059 64.148 63.100 -0.017 0.000 0.832 403 P CB -0.172 31.437 31.700 -0.152 0.000 0.787 404 L N -1.857 119.380 121.223 0.022 0.000 2.093 404 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 404 L C 2.056 178.970 176.870 0.075 0.000 1.085 404 L CA 1.624 56.489 54.840 0.042 0.000 0.755 404 L CB -0.534 41.521 42.059 -0.007 0.000 0.904 404 L HN -0.112 nan 8.230 nan 0.000 0.435 405 M N -1.019 118.615 119.600 0.056 0.000 2.229 405 M HA -0.205 4.274 4.480 -0.001 0.000 0.264 405 M C 2.237 178.597 176.300 0.099 0.000 1.063 405 M CA 1.567 56.894 55.300 0.045 0.000 1.114 405 M CB -1.552 31.090 32.600 0.068 0.000 1.387 405 M HN 0.429 nan 8.290 nan 0.000 0.420 406 H N -0.120 118.985 119.070 0.058 0.000 2.326 406 H HA -0.167 4.388 4.556 -0.001 0.000 0.301 406 H C 1.831 177.200 175.328 0.068 0.000 1.081 406 H CA 1.977 58.065 56.048 0.067 0.000 1.334 406 H CB -0.384 29.416 29.762 0.063 0.000 1.385 406 H HN 0.236 nan 8.280 nan 0.000 0.504 407 F N 0.038 119.939 119.950 -0.083 0.000 2.102 407 F HA -0.173 4.354 4.527 -0.001 0.000 0.298 407 F C 2.489 178.195 175.800 -0.156 0.000 1.105 407 F CA 1.516 59.422 58.000 -0.157 0.000 1.239 407 F CB -0.945 37.977 39.000 -0.131 0.000 0.991 407 F HN 0.126 nan 8.300 nan 0.000 0.474 408 V N 1.126 120.920 119.914 -0.201 0.000 2.407 408 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 408 V C 2.154 178.071 176.094 -0.294 0.000 1.055 408 V CA 2.429 64.497 62.300 -0.386 0.000 1.049 408 V CB -0.634 30.896 31.823 -0.488 0.000 0.662 408 V HN 0.417 nan 8.190 nan 0.000 0.455 409 N N 0.092 118.708 118.700 -0.139 0.000 2.120 409 N HA -0.122 4.617 4.740 -0.001 0.000 0.188 409 N C 1.802 177.276 175.510 -0.061 0.000 1.024 409 N CA 1.236 54.298 53.050 0.020 0.000 0.852 409 N CB -0.317 38.206 38.487 0.060 0.000 1.003 409 N HN 0.414 nan 8.380 nan 0.000 0.424 410 K N 0.386 120.664 120.400 -0.203 0.000 2.062 410 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 410 K C 2.003 178.552 176.600 -0.085 0.000 1.051 410 K CA 0.565 56.762 56.287 -0.149 0.000 0.941 410 K CB -0.738 31.614 32.500 -0.246 0.000 0.719 410 K HN 0.288 nan 8.250 nan 0.000 0.440 411 Y N 2.383 122.398 120.300 -0.475 0.000 2.181 411 Y HA -0.208 4.341 4.550 -0.001 0.000 0.288 411 Y C 2.138 177.997 175.900 -0.068 0.000 1.146 411 Y CA 1.863 59.668 58.100 -0.492 0.000 1.164 411 Y CB -0.321 37.528 38.460 -1.019 0.000 0.982 411 Y HN 0.021 nan 8.280 nan 0.000 0.515 412 T N 1.047 115.621 114.554 0.033 0.000 2.897 412 T HA -0.155 4.194 4.350 -0.001 0.000 0.271 412 T C 1.714 176.410 174.700 -0.007 0.000 1.084 412 T CA 1.223 63.378 62.100 0.091 0.000 1.123 412 T CB -0.110 68.901 68.868 0.238 0.000 0.865 412 T HN 0.263 nan 8.240 nan 0.000 0.496 413 K N 0.620 120.979 120.400 -0.069 0.000 2.097 413 K HA 0.002 4.321 4.320 -0.001 0.000 0.206 413 K C 1.457 177.770 176.600 -0.478 0.000 1.049 413 K CA 1.272 57.385 56.287 -0.290 0.000 0.933 413 K CB -0.325 31.933 32.500 -0.403 0.000 0.717 413 K HN 0.458 nan 8.250 nan 0.000 0.442 414 F N 0.213 120.110 119.950 -0.089 0.000 2.727 414 F HA 0.238 4.764 4.527 -0.001 0.000 0.302 414 F C 1.624 177.315 175.800 -0.181 0.000 1.107 414 F CA -0.369 57.537 58.000 -0.157 0.000 1.277 414 F CB -0.241 38.588 39.000 -0.285 0.000 1.079 414 F HN -0.081 nan 8.300 nan 0.000 0.594 415 G N 0.117 108.860 108.800 -0.095 0.000 2.716 415 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.251 415 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.251 415 G C 0.418 175.361 174.900 0.071 0.000 1.224 415 G CA -0.266 44.792 45.100 -0.071 0.000 0.891 415 G HN 0.358 nan 8.290 nan 0.000 0.561 416 N N -0.548 118.243 118.700 0.152 0.000 2.234 416 N HA 0.304 5.044 4.740 -0.001 0.000 0.227 416 N C 0.316 175.892 175.510 0.109 0.000 1.151 416 N CA 0.382 53.495 53.050 0.105 0.000 0.865 416 N CB 0.285 38.831 38.487 0.097 0.000 1.066 416 N HN 0.887 nan 8.380 nan 0.000 0.515 417 G N 0.669 109.543 108.800 0.122 0.000 2.404 417 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.230 417 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.230 417 G C -1.213 173.687 174.900 0.001 0.000 1.516 417 G CA -0.776 44.343 45.100 0.032 0.000 1.026 417 G HN 0.016 nan 8.290 nan 0.000 0.660 418 T N 1.882 116.322 114.554 -0.190 0.000 2.824 418 T HA 0.659 5.009 4.350 -0.001 0.000 0.282 418 T C -1.179 173.238 174.700 -0.472 0.000 0.993 418 T CA -0.305 61.682 62.100 -0.188 0.000 0.967 418 T CB 1.232 70.085 68.868 -0.026 0.000 0.960 418 T HN 0.405 nan 8.240 nan 0.000 0.441 419 Y N 2.311 122.516 120.300 -0.159 0.000 2.326 419 Y HA 0.633 5.183 4.550 -0.001 0.000 0.331 419 Y C -0.437 175.488 175.900 0.043 0.000 0.962 419 Y CA -1.145 56.792 58.100 -0.272 0.000 1.167 419 Y CB 1.396 39.250 38.460 -1.010 0.000 1.148 419 Y HN 0.443 nan 8.280 nan 0.000 0.463 420 L N 5.997 127.574 121.223 0.589 0.000 2.329 420 L HA 0.655 4.995 4.340 -0.001 0.000 0.279 420 L C -1.243 176.092 176.870 0.775 0.000 1.014 420 L CA -0.990 54.148 54.840 0.497 0.000 0.814 420 L CB 0.841 43.046 42.059 0.244 0.000 1.257 420 L HN 0.521 nan 8.230 nan 0.000 0.424 421 Y N 3.076 123.694 120.300 0.529 0.000 2.605 421 Y HA 0.740 5.290 4.550 -0.001 0.000 0.343 421 Y C -1.819 174.356 175.900 0.457 0.000 1.036 421 Y CA -2.017 56.327 58.100 0.407 0.000 1.065 421 Y CB 1.322 39.951 38.460 0.283 0.000 1.288 421 Y HN 0.526 nan 8.280 nan 0.000 0.481 422 F N 4.100 124.383 119.950 0.556 0.000 2.577 422 F HA 0.463 4.989 4.527 -0.001 0.000 0.344 422 F C -1.949 174.160 175.800 0.515 0.000 1.145 422 F CA -1.989 56.267 58.000 0.426 0.000 0.996 422 F CB 0.759 39.986 39.000 0.380 0.000 1.248 422 F HN 0.557 nan 8.300 nan 0.000 0.447 423 F N 8.050 128.034 119.950 0.056 0.000 2.413 423 F HA 0.294 4.821 4.527 -0.001 0.000 0.359 423 F C 0.295 175.884 175.800 -0.351 0.000 1.122 423 F CA -0.311 57.661 58.000 -0.046 0.000 1.160 423 F CB 0.445 39.510 39.000 0.107 0.000 1.146 423 F HN 0.528 nan 8.300 nan 0.000 0.514 424 N N 3.465 121.760 118.700 -0.675 0.000 2.497 424 N HA 0.083 4.823 4.740 -0.001 0.000 0.284 424 N C -1.245 173.999 175.510 -0.443 0.000 1.459 424 N CA -0.473 52.265 53.050 -0.519 0.000 0.899 424 N CB -0.573 37.756 38.487 -0.264 0.000 1.316 424 N HN 0.630 nan 8.380 nan 0.000 0.500 425 H N 0.288 118.815 119.070 -0.905 0.000 2.551 425 H HA 0.419 4.975 4.556 -0.001 0.000 0.321 425 H C -0.538 174.563 175.328 -0.378 0.000 1.028 425 H CA -0.697 54.994 56.048 -0.594 0.000 1.215 425 H CB 1.015 30.381 29.762 -0.661 0.000 1.414 425 H HN 0.128 nan 8.280 nan 0.000 0.480 426 R N 4.179 124.268 120.500 -0.685 0.000 2.298 426 R HA 0.491 4.831 4.340 -0.001 0.000 0.310 426 R C -0.515 175.564 176.300 -0.368 0.000 1.068 426 R CA -0.479 55.416 56.100 -0.341 0.000 0.957 426 R CB 0.371 30.555 30.300 -0.195 0.000 1.003 426 R HN 0.790 nan 8.270 nan 0.000 0.454 427 A N 3.300 126.180 122.820 0.101 0.000 2.546 427 A HA -0.003 4.316 4.320 -0.001 0.000 0.243 427 A C 1.362 179.027 177.584 0.135 0.000 1.063 427 A CA 0.537 52.789 52.037 0.359 0.000 0.757 427 A CB 0.257 19.590 19.000 0.556 0.000 0.991 427 A HN 1.033 nan 8.150 nan 0.000 0.503 428 S N 1.870 117.673 115.700 0.172 0.000 2.419 428 S HA -0.199 4.271 4.470 -0.001 0.000 0.233 428 S C 0.960 175.546 174.600 -0.023 0.000 1.016 428 S CA 1.319 59.557 58.200 0.064 0.000 0.974 428 S CB -0.482 62.779 63.200 0.103 0.000 0.786 428 S HN 0.951 nan 8.310 nan 0.000 0.492 429 N N 0.694 119.334 118.700 -0.099 0.000 2.235 429 N HA 0.225 4.964 4.740 -0.001 0.000 0.209 429 N C -0.084 175.349 175.510 -0.128 0.000 1.122 429 N CA -0.333 52.612 53.050 -0.174 0.000 0.845 429 N CB -0.624 37.644 38.487 -0.366 0.000 1.004 429 N HN 0.403 nan 8.380 nan 0.000 0.499 430 L N 1.513 122.704 121.223 -0.053 0.000 2.559 430 L HA -0.020 4.320 4.340 -0.001 0.000 0.274 430 L C 1.411 178.247 176.870 -0.057 0.000 1.205 430 L CA -0.299 54.518 54.840 -0.038 0.000 0.907 430 L CB 0.881 42.922 42.059 -0.031 0.000 1.153 430 L HN 0.160 nan 8.230 nan 0.000 0.490 431 V N 0.376 120.222 119.914 -0.113 0.000 3.306 431 V HA -0.008 4.111 4.120 -0.001 0.000 0.264 431 V C 0.597 176.680 176.094 -0.018 0.000 1.149 431 V CA -0.311 61.909 62.300 -0.134 0.000 1.143 431 V CB -0.935 30.683 31.823 -0.342 0.000 0.767 431 V HN 0.591 nan 8.190 nan 0.000 0.476 432 W N 1.926 123.238 121.300 0.021 0.000 2.184 432 W HA 0.490 5.150 4.660 -0.001 0.000 0.338 432 W C -1.655 174.788 176.519 -0.128 0.000 1.257 432 W CA -2.113 55.230 57.345 -0.003 0.000 1.243 432 W CB -0.100 29.291 29.460 -0.116 0.000 1.122 432 W HN -0.001 nan 8.180 nan 0.000 0.585 433 P HA -0.111 nan 4.420 nan 0.000 0.269 433 P C 0.241 177.465 177.300 -0.126 0.000 1.217 433 P CA 0.336 63.410 63.100 -0.043 0.000 0.783 433 P CB 1.049 32.729 31.700 -0.034 0.000 0.898 434 E N 2.074 122.265 120.200 -0.015 0.000 2.110 434 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 434 E C 1.776 178.400 176.600 0.041 0.000 0.988 434 E CA 1.424 57.832 56.400 0.012 0.000 0.804 434 E CB -0.690 29.050 29.700 0.065 0.000 0.745 434 E HN 0.630 nan 8.360 nan 0.000 0.458 435 W N -0.234 121.115 121.300 0.081 0.000 2.387 435 W HA -0.158 4.502 4.660 -0.001 0.000 0.272 435 W C 1.195 177.784 176.519 0.117 0.000 1.224 435 W CA 0.562 57.964 57.345 0.095 0.000 1.210 435 W CB -0.783 28.735 29.460 0.098 0.000 1.125 435 W HN 0.077 nan 8.180 nan 0.000 0.572 436 M N 1.341 120.593 119.600 -0.580 0.000 2.557 436 M HA 0.117 4.596 4.480 -0.001 0.000 0.259 436 M C 1.751 177.956 176.300 -0.158 0.000 1.086 436 M CA 1.501 56.448 55.300 -0.588 0.000 1.096 436 M CB -0.712 31.383 32.600 -0.840 0.000 1.424 436 M HN 0.164 nan 8.290 nan 0.000 0.488 437 G N 0.536 109.296 108.800 -0.067 0.000 2.582 437 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.288 437 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.288 437 G C -0.159 174.733 174.900 -0.014 0.000 1.247 437 G CA -0.244 44.856 45.100 -0.001 0.000 0.972 437 G HN 0.195 nan 8.290 nan 0.000 0.557 438 V N 2.074 122.005 119.914 0.029 0.000 2.287 438 V HA 0.313 4.433 4.120 -0.001 0.000 0.246 438 V C 1.222 177.408 176.094 0.153 0.000 1.165 438 V CA 0.085 62.432 62.300 0.079 0.000 1.088 438 V CB -0.526 31.319 31.823 0.037 0.000 1.242 438 V HN 0.511 nan 8.190 nan 0.000 0.497 439 I N 2.731 123.374 120.570 0.123 0.000 2.872 439 I HA 0.015 4.185 4.170 -0.001 0.000 0.291 439 I C 1.038 177.341 176.117 0.309 0.000 1.216 439 I CA -0.192 61.198 61.300 0.150 0.000 1.424 439 I CB 0.065 38.034 38.000 -0.051 0.000 1.351 439 I HN 0.570 nan 8.210 nan 0.000 0.592 440 H N 4.448 123.584 119.070 0.109 0.000 3.125 440 H HA 0.170 4.726 4.556 -0.001 0.000 0.310 440 H C 1.034 176.331 175.328 -0.052 0.000 0.980 440 H CA 1.024 57.103 56.048 0.051 0.000 1.422 440 H CB 0.171 29.934 29.762 0.003 0.000 1.432 440 H HN 0.761 nan 8.280 nan 0.000 0.577 441 G N 3.645 112.231 108.800 -0.357 0.000 2.176 441 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.253 441 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.253 441 G C 0.476 175.264 174.900 -0.186 0.000 0.979 441 G CA 0.451 45.318 45.100 -0.388 0.000 0.641 441 G HN 0.653 nan 8.290 nan 0.000 0.530 442 Y N 1.266 121.643 120.300 0.129 0.000 2.495 442 Y HA 0.267 4.816 4.550 -0.001 0.000 0.293 442 Y C 2.199 178.236 175.900 0.230 0.000 1.186 442 Y CA 0.831 59.093 58.100 0.270 0.000 1.266 442 Y CB 0.432 39.086 38.460 0.322 0.000 1.101 442 Y HN 0.515 nan 8.280 nan 0.000 0.517 443 E N -0.276 119.883 120.200 -0.070 0.000 2.389 443 E HA -0.024 4.326 4.350 -0.001 0.000 0.199 443 E C 1.602 178.110 176.600 -0.153 0.000 0.978 443 E CA 0.520 56.522 56.400 -0.664 0.000 0.912 443 E CB -0.393 28.589 29.700 -1.196 0.000 0.907 443 E HN 0.518 nan 8.360 nan 0.000 0.494 444 I N 2.940 123.519 120.570 0.016 0.000 2.127 444 I HA -0.321 3.848 4.170 -0.001 0.000 0.241 444 I C 2.679 178.845 176.117 0.082 0.000 1.075 444 I CA 2.230 63.598 61.300 0.112 0.000 1.334 444 I CB -0.539 37.566 38.000 0.175 0.000 1.040 444 I HN 0.212 nan 8.210 nan 0.000 0.405 445 E N 0.976 121.185 120.200 0.015 0.000 2.219 445 E HA -0.251 4.099 4.350 -0.001 0.000 0.198 445 E C 2.038 178.482 176.600 -0.259 0.000 0.998 445 E CA 1.592 57.915 56.400 -0.128 0.000 0.818 445 E CB -0.559 29.068 29.700 -0.122 0.000 0.741 445 E HN 0.455 nan 8.360 nan 0.000 0.477 446 F N 1.107 120.965 119.950 -0.153 0.000 2.234 446 F HA -0.034 4.492 4.527 -0.001 0.000 0.296 446 F C 2.414 178.045 175.800 -0.282 0.000 1.089 446 F CA 0.602 58.472 58.000 -0.217 0.000 1.343 446 F CB -0.199 38.717 39.000 -0.141 0.000 1.040 446 F HN -0.140 nan 8.300 nan 0.000 0.498 447 V N -1.035 118.803 119.914 -0.127 0.000 2.427 447 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 447 V C 1.571 177.494 176.094 -0.284 0.000 1.051 447 V CA 1.545 63.631 62.300 -0.357 0.000 1.048 447 V CB -0.653 30.998 31.823 -0.287 0.000 0.666 447 V HN 0.198 nan 8.190 nan 0.000 0.456 448 F N 0.514 120.328 119.950 -0.226 0.000 2.692 448 F HA 0.420 4.946 4.527 -0.001 0.000 0.303 448 F C 1.799 177.503 175.800 -0.161 0.000 1.114 448 F CA 0.468 58.363 58.000 -0.176 0.000 1.361 448 F CB -0.361 38.516 39.000 -0.204 0.000 1.063 448 F HN 0.250 nan 8.300 nan 0.000 0.550 449 G N 0.291 109.005 108.800 -0.145 0.000 2.179 449 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.257 449 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.257 449 G C 1.089 175.675 174.900 -0.523 0.000 1.010 449 G CA 0.441 45.380 45.100 -0.268 0.000 0.736 449 G HN 0.348 nan 8.290 nan 0.000 0.513 450 L N 0.220 121.101 121.223 -0.570 0.000 2.131 450 L HA 0.051 4.391 4.340 -0.001 0.000 0.210 450 L C 0.324 176.753 176.870 -0.734 0.000 1.092 450 L CA 2.477 56.911 54.840 -0.677 0.000 0.759 450 L CB -0.862 40.933 42.059 -0.439 0.000 0.903 450 L HN 0.177 nan 8.230 nan 0.000 0.435 451 P HA -0.119 nan 4.420 nan 0.000 0.228 451 P C 1.388 178.436 177.300 -0.421 0.000 1.151 451 P CA 0.844 63.337 63.100 -1.012 0.000 0.770 451 P CB 0.092 31.116 31.700 -1.127 0.000 0.786 452 L N -2.088 118.894 121.223 -0.401 0.000 2.554 452 L HA -0.003 4.336 4.340 -0.001 0.000 0.226 452 L C 0.644 177.390 176.870 -0.207 0.000 1.137 452 L CA 0.761 55.453 54.840 -0.246 0.000 0.863 452 L CB -0.479 41.456 42.059 -0.206 0.000 0.985 452 L HN -0.239 nan 8.230 nan 0.000 0.451 453 V N 0.278 120.032 119.914 -0.268 0.000 2.353 453 V HA 0.125 4.245 4.120 -0.001 0.000 0.264 453 V C 1.524 177.574 176.094 -0.072 0.000 1.049 453 V CA -0.621 61.574 62.300 -0.175 0.000 0.896 453 V CB 0.920 32.600 31.823 -0.238 0.000 1.025 453 V HN 0.185 nan 8.190 nan 0.000 0.475 454 K N 3.790 124.161 120.400 -0.047 0.000 2.034 454 K HA -0.197 4.123 4.320 -0.001 0.000 0.214 454 K C 2.017 178.605 176.600 -0.019 0.000 1.051 454 K CA 1.996 58.270 56.287 -0.022 0.000 0.931 454 K CB -0.009 32.478 32.500 -0.022 0.000 0.715 454 K HN 0.884 nan 8.250 nan 0.000 0.446 455 E N 0.597 120.779 120.200 -0.030 0.000 2.463 455 E HA -0.170 4.180 4.350 -0.001 0.000 0.201 455 E C 1.555 178.127 176.600 -0.048 0.000 1.045 455 E CA 0.697 57.075 56.400 -0.037 0.000 0.872 455 E CB -0.179 29.500 29.700 -0.036 0.000 0.797 455 E HN 0.123 nan 8.360 nan 0.000 0.538 456 L N 1.230 122.434 121.223 -0.032 0.000 2.509 456 L HA 0.086 4.425 4.340 -0.001 0.000 0.222 456 L C -0.085 176.700 176.870 -0.142 0.000 1.123 456 L CA 0.352 55.164 54.840 -0.047 0.000 0.856 456 L CB -0.884 41.221 42.059 0.076 0.000 0.985 456 L HN 0.045 nan 8.230 nan 0.000 0.456 457 N N -0.773 117.882 118.700 -0.076 0.000 2.746 457 N HA -0.256 4.483 4.740 -0.001 0.000 0.250 457 N C -0.723 174.689 175.510 -0.165 0.000 1.055 457 N CA 0.631 53.615 53.050 -0.109 0.000 0.699 457 N CB -1.775 36.628 38.487 -0.140 0.000 0.919 457 N HN 0.264 nan 8.380 nan 0.000 0.548 458 Y N 0.070 120.335 120.300 -0.059 0.000 2.453 458 Y HA 0.377 4.927 4.550 -0.001 0.000 0.326 458 Y C 1.707 177.604 175.900 -0.004 0.000 1.186 458 Y CA -0.355 57.727 58.100 -0.030 0.000 1.200 458 Y CB 0.865 39.269 38.460 -0.094 0.000 1.247 458 Y HN 0.126 nan 8.280 nan 0.000 0.482 459 T N -1.668 113.009 114.554 0.205 0.000 2.813 459 T HA 0.335 4.684 4.350 -0.001 0.000 0.297 459 T C 1.233 175.991 174.700 0.097 0.000 1.036 459 T CA -0.205 61.969 62.100 0.124 0.000 1.044 459 T CB 1.139 70.082 68.868 0.125 0.000 0.993 459 T HN 0.791 nan 8.240 nan 0.000 0.535 460 A N 0.568 123.422 122.820 0.056 0.000 1.933 460 A HA -0.082 4.238 4.320 -0.001 0.000 0.218 460 A C 2.304 179.904 177.584 0.025 0.000 1.175 460 A CA 1.356 53.411 52.037 0.030 0.000 0.628 460 A CB -0.819 18.192 19.000 0.018 0.000 0.814 460 A HN 0.942 nan 8.150 nan 0.000 0.444 461 E N -0.163 120.056 120.200 0.033 0.000 2.152 461 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 461 E C 1.765 178.371 176.600 0.009 0.000 0.983 461 E CA 1.140 57.544 56.400 0.008 0.000 0.818 461 E CB -0.214 29.488 29.700 0.003 0.000 0.758 461 E HN 0.764 nan 8.360 nan 0.000 0.467 462 E N 0.892 121.140 120.200 0.080 0.000 2.208 462 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 462 E C 2.013 178.674 176.600 0.102 0.000 0.988 462 E CA 0.451 56.971 56.400 0.200 0.000 0.828 462 E CB 0.054 30.001 29.700 0.412 0.000 0.763 462 E HN 0.270 nan 8.360 nan 0.000 0.478 463 E N 0.773 120.978 120.200 0.009 0.000 2.107 463 E HA -0.146 4.204 4.350 -0.001 0.000 0.191 463 E C 2.025 178.597 176.600 -0.048 0.000 0.982 463 E CA 0.803 57.161 56.400 -0.070 0.000 0.809 463 E CB 0.014 29.679 29.700 -0.058 0.000 0.756 463 E HN 0.195 nan 8.360 nan 0.000 0.459 464 A N 1.117 123.923 122.820 -0.024 0.000 1.930 464 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 464 A C 2.091 179.655 177.584 -0.033 0.000 1.175 464 A CA 1.044 53.060 52.037 -0.035 0.000 0.627 464 A CB -0.507 18.475 19.000 -0.031 0.000 0.815 464 A HN 0.363 nan 8.150 nan 0.000 0.443 465 L N -0.338 120.886 121.223 0.001 0.000 2.027 465 L HA -0.068 4.272 4.340 -0.001 0.000 0.206 465 L C 2.583 179.491 176.870 0.064 0.000 1.074 465 L CA 2.530 57.380 54.840 0.016 0.000 0.745 465 L CB -0.874 41.180 42.059 -0.008 0.000 0.898 465 L HN 0.335 nan 8.230 nan 0.000 0.433 466 S N -0.616 115.160 115.700 0.128 0.000 2.359 466 S HA -0.228 4.242 4.470 -0.001 0.000 0.224 466 S C 2.208 176.763 174.600 -0.075 0.000 1.035 466 S CA 1.494 59.713 58.200 0.032 0.000 1.018 466 S CB -0.235 62.873 63.200 -0.153 0.000 0.876 466 S HN 0.524 nan 8.310 nan 0.000 0.448 467 R N 0.151 120.602 120.500 -0.082 0.000 2.096 467 R HA -0.025 4.314 4.340 -0.001 0.000 0.235 467 R C 2.728 178.967 176.300 -0.102 0.000 1.127 467 R CA 1.590 57.635 56.100 -0.091 0.000 0.968 467 R CB -0.294 29.951 30.300 -0.092 0.000 0.861 467 R HN 0.368 nan 8.270 nan 0.000 0.440 468 R N 0.727 121.148 120.500 -0.131 0.000 2.075 468 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 468 R C 2.152 178.263 176.300 -0.315 0.000 1.126 468 R CA 1.199 57.142 56.100 -0.261 0.000 0.963 468 R CB -0.100 30.072 30.300 -0.214 0.000 0.858 468 R HN 0.171 nan 8.270 nan 0.000 0.435 469 I N 0.131 120.622 120.570 -0.132 0.000 2.202 469 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 469 I C 2.322 178.366 176.117 -0.122 0.000 1.091 469 I CA 1.321 62.560 61.300 -0.103 0.000 1.368 469 I CB -0.166 37.636 38.000 -0.330 0.000 1.058 469 I HN 0.274 nan 8.210 nan 0.000 0.410 470 M N -0.524 118.983 119.600 -0.156 0.000 2.149 470 M HA -0.268 4.212 4.480 -0.001 0.000 0.261 470 M C 2.391 178.749 176.300 0.096 0.000 1.064 470 M CA 1.751 56.997 55.300 -0.090 0.000 1.102 470 M CB -0.730 31.814 32.600 -0.093 0.000 1.369 470 M HN 0.290 nan 8.290 nan 0.000 0.408 471 H N -0.413 118.644 119.070 -0.022 0.000 2.395 471 H HA -0.117 4.439 4.556 -0.001 0.000 0.299 471 H C 1.535 176.970 175.328 0.179 0.000 1.070 471 H CA 1.740 57.798 56.048 0.016 0.000 1.356 471 H CB -0.006 29.706 29.762 -0.082 0.000 1.401 471 H HN 0.258 nan 8.280 nan 0.000 0.524 472 Y N -0.699 119.746 120.300 0.241 0.000 2.114 472 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 472 Y C 2.580 178.668 175.900 0.313 0.000 1.143 472 Y CA 1.154 59.435 58.100 0.301 0.000 1.135 472 Y CB -1.096 37.749 38.460 0.642 0.000 0.980 472 Y HN 0.342 nan 8.280 nan 0.000 0.499 473 W N -0.414 120.986 121.300 0.168 0.000 2.332 473 W HA -0.271 4.388 4.660 -0.001 0.000 0.321 473 W C 2.634 179.156 176.519 0.005 0.000 1.219 473 W CA 1.239 58.614 57.345 0.050 0.000 1.277 473 W CB -0.635 28.802 29.460 -0.038 0.000 1.161 473 W HN 0.066 nan 8.180 nan 0.000 0.476 474 A N -0.056 122.885 122.820 0.202 0.000 1.933 474 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 474 A C 1.796 179.375 177.584 -0.009 0.000 1.175 474 A CA 2.274 54.343 52.037 0.052 0.000 0.628 474 A CB -1.209 17.816 19.000 0.041 0.000 0.814 474 A HN 0.236 nan 8.150 nan 0.000 0.444 475 T N -0.912 113.599 114.554 -0.072 0.000 2.867 475 T HA -0.090 4.260 4.350 -0.001 0.000 0.268 475 T C 1.556 176.209 174.700 -0.077 0.000 1.057 475 T CA 1.450 63.464 62.100 -0.143 0.000 1.136 475 T CB -0.341 68.351 68.868 -0.294 0.000 0.874 475 T HN 0.521 nan 8.240 nan 0.000 0.466 476 F N 2.234 122.084 119.950 -0.167 0.000 2.163 476 F HA 0.137 4.664 4.527 -0.001 0.000 0.297 476 F C 2.414 178.128 175.800 -0.144 0.000 1.094 476 F CA 0.853 58.722 58.000 -0.219 0.000 1.290 476 F CB -0.630 38.178 39.000 -0.320 0.000 1.017 476 F HN 0.125 nan 8.300 nan 0.000 0.483 477 A N 0.380 123.130 122.820 -0.117 0.000 1.940 477 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 477 A C 2.329 179.792 177.584 -0.202 0.000 1.176 477 A CA 1.984 53.915 52.037 -0.175 0.000 0.631 477 A CB -0.841 18.122 19.000 -0.061 0.000 0.814 477 A HN 0.511 nan 8.150 nan 0.000 0.446 478 K N -0.978 119.331 120.400 -0.152 0.000 2.116 478 K HA -0.087 4.232 4.320 -0.001 0.000 0.203 478 K C 1.718 178.232 176.600 -0.143 0.000 1.052 478 K CA 1.771 57.988 56.287 -0.115 0.000 0.952 478 K CB -0.039 32.419 32.500 -0.070 0.000 0.729 478 K HN 0.595 nan 8.250 nan 0.000 0.446 479 T N -4.790 109.648 114.554 -0.192 0.000 2.975 479 T HA 0.246 4.596 4.350 -0.001 0.000 0.261 479 T C 1.028 175.587 174.700 -0.235 0.000 0.984 479 T CA 0.475 62.474 62.100 -0.170 0.000 0.911 479 T CB 0.911 69.712 68.868 -0.112 0.000 1.127 479 T HN 0.301 nan 8.240 nan 0.000 0.514 480 G N 1.505 110.027 108.800 -0.464 0.000 2.136 480 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.242 480 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.242 480 G C -0.167 174.620 174.900 -0.189 0.000 0.989 480 G CA 0.099 44.854 45.100 -0.574 0.000 0.682 480 G HN 0.943 nan 8.290 nan 0.000 0.522 481 N N -0.375 118.223 118.700 -0.169 0.000 2.503 481 N HA 0.468 5.208 4.740 -0.001 0.000 0.287 481 N C -1.697 173.662 175.510 -0.251 0.000 1.096 481 N CA -1.376 51.556 53.050 -0.196 0.000 0.936 481 N CB 1.954 40.398 38.487 -0.072 0.000 1.570 481 N HN -0.105 nan 8.380 nan 0.000 0.504 482 P HA -0.065 nan 4.420 nan 0.000 0.226 482 P C -0.666 176.632 177.300 -0.002 0.000 1.153 482 P CA 0.650 63.608 63.100 -0.238 0.000 0.777 482 P CB 0.156 31.502 31.700 -0.590 0.000 0.794 483 N N 1.690 120.346 118.700 -0.073 0.000 2.488 483 N HA 0.079 4.819 4.740 -0.001 0.000 0.274 483 N C 0.087 175.622 175.510 0.042 0.000 1.111 483 N CA 0.026 53.122 53.050 0.077 0.000 0.974 483 N CB 0.759 39.287 38.487 0.069 0.000 1.089 483 N HN 0.062 nan 8.380 nan 0.000 0.465 484 E N 3.172 123.431 120.200 0.099 0.000 2.324 484 E HA 0.115 4.465 4.350 -0.001 0.000 0.271 484 E C -2.114 174.509 176.600 0.038 0.000 1.028 484 E CA -1.413 55.038 56.400 0.086 0.000 0.890 484 E CB 0.462 30.271 29.700 0.183 0.000 1.004 484 E HN 0.315 nan 8.360 nan 0.000 0.431 485 P HA -0.058 nan 4.420 nan 0.000 0.264 485 P C -0.873 176.386 177.300 -0.069 0.000 1.193 485 P CA 0.311 63.325 63.100 -0.142 0.000 0.763 485 P CB 0.374 32.007 31.700 -0.112 0.000 0.810 486 H N -1.632 117.473 119.070 0.059 0.000 2.672 486 H HA -0.124 4.432 4.556 -0.001 0.000 0.325 486 H C 0.170 175.533 175.328 0.058 0.000 1.158 486 H CA 0.905 56.985 56.048 0.054 0.000 1.134 486 H CB -1.879 27.908 29.762 0.042 0.000 1.553 486 H HN 0.463 nan 8.280 nan 0.000 0.419 487 S N -0.719 115.056 115.700 0.126 0.000 2.648 487 S HA 0.383 4.853 4.470 -0.001 0.000 0.305 487 S C 1.100 175.760 174.600 0.100 0.000 1.094 487 S CA -0.595 57.673 58.200 0.112 0.000 0.983 487 S CB 2.140 65.409 63.200 0.116 0.000 1.101 487 S HN 0.348 nan 8.310 nan 0.000 0.514 488 Q N 0.948 120.799 119.800 0.084 0.000 2.320 488 Q HA 0.255 4.595 4.340 -0.001 0.000 0.201 488 Q C -0.140 175.906 176.000 0.076 0.000 0.910 488 Q CA 0.281 56.128 55.803 0.073 0.000 0.946 488 Q CB 0.228 28.999 28.738 0.056 0.000 1.062 488 Q HN 0.560 nan 8.270 nan 0.000 0.503 489 E N -0.298 119.958 120.200 0.094 0.000 2.371 489 E HA 0.167 4.517 4.350 -0.001 0.000 0.257 489 E C -0.251 176.426 176.600 0.127 0.000 1.134 489 E CA -0.143 56.323 56.400 0.109 0.000 0.919 489 E CB 0.618 30.401 29.700 0.139 0.000 1.025 489 E HN -0.050 nan 8.360 nan 0.000 0.438 490 S N 1.383 117.165 115.700 0.137 0.000 2.549 490 S HA 0.082 4.552 4.470 -0.001 0.000 0.283 490 S C 0.235 174.949 174.600 0.190 0.000 1.320 490 S CA -0.347 57.934 58.200 0.134 0.000 1.058 490 S CB 0.419 63.686 63.200 0.112 0.000 0.882 490 S HN 0.159 nan 8.310 nan 0.000 0.498 491 K N 2.230 122.729 120.400 0.165 0.000 2.234 491 K HA 0.124 4.443 4.320 -0.001 0.000 0.282 491 K C -0.494 176.263 176.600 0.262 0.000 1.039 491 K CA -0.366 56.044 56.287 0.206 0.000 0.928 491 K CB 0.691 33.286 32.500 0.159 0.000 1.039 491 K HN 0.675 nan 8.250 nan 0.000 0.470 492 W N 7.527 128.866 121.300 0.066 0.000 2.481 492 W HA 0.164 4.824 4.660 -0.001 0.000 0.320 492 W C -2.272 174.356 176.519 0.181 0.000 1.209 492 W CA -2.634 54.742 57.345 0.052 0.000 1.400 492 W CB -0.070 29.313 29.460 -0.128 0.000 1.361 492 W HN 0.376 nan 8.180 nan 0.000 0.456 493 P HA 0.055 nan 4.420 nan 0.000 0.272 493 P C -0.069 177.457 177.300 0.376 0.000 1.223 493 P CA -0.071 63.251 63.100 0.370 0.000 0.784 493 P CB 1.568 33.402 31.700 0.223 0.000 0.923 494 L N 2.239 123.553 121.223 0.152 0.000 2.461 494 L HA 0.142 4.482 4.340 -0.001 0.000 0.272 494 L C 0.889 177.776 176.870 0.028 0.000 1.197 494 L CA -0.419 54.331 54.840 -0.151 0.000 0.836 494 L CB -0.167 41.782 42.059 -0.184 0.000 1.105 494 L HN 0.353 nan 8.230 nan 0.000 0.477 495 F N 2.463 122.331 119.950 -0.136 0.000 2.411 495 F HA 0.371 4.897 4.527 -0.001 0.000 0.355 495 F C 0.360 176.138 175.800 -0.037 0.000 1.117 495 F CA -0.587 57.412 58.000 -0.001 0.000 1.139 495 F CB 0.834 39.856 39.000 0.037 0.000 1.120 495 F HN 0.455 nan 8.300 nan 0.000 0.493 496 T N 1.238 115.533 114.554 -0.431 0.000 2.932 496 T HA 0.274 4.623 4.350 -0.001 0.000 0.289 496 T C 0.898 175.312 174.700 -0.477 0.000 1.039 496 T CA -0.473 61.457 62.100 -0.284 0.000 1.024 496 T CB 1.528 70.295 68.868 -0.167 0.000 1.090 496 T HN 0.532 nan 8.240 nan 0.000 0.496 497 T N 0.582 115.017 114.554 -0.199 0.000 2.759 497 T HA -0.091 4.259 4.350 -0.001 0.000 0.269 497 T C 1.788 176.387 174.700 -0.168 0.000 1.042 497 T CA 1.578 63.595 62.100 -0.140 0.000 1.140 497 T CB -0.277 68.556 68.868 -0.059 0.000 0.864 497 T HN 0.730 nan 8.240 nan 0.000 0.455 498 K N 0.533 120.842 120.400 -0.150 0.000 1.984 498 K HA -0.093 4.227 4.320 -0.001 0.000 0.209 498 K C 2.120 178.642 176.600 -0.130 0.000 1.046 498 K CA 1.201 57.419 56.287 -0.114 0.000 0.934 498 K CB 0.117 32.567 32.500 -0.084 0.000 0.717 498 K HN 0.132 nan 8.250 nan 0.000 0.438 499 E N 0.443 120.541 120.200 -0.170 0.000 2.276 499 E HA -0.048 4.302 4.350 -0.001 0.000 0.193 499 E C -0.054 176.425 176.600 -0.201 0.000 0.983 499 E CA 0.274 56.589 56.400 -0.143 0.000 0.861 499 E CB 0.267 29.907 29.700 -0.100 0.000 0.817 499 E HN 0.315 nan 8.360 nan 0.000 0.485 500 Q N 0.990 120.505 119.800 -0.476 0.000 2.439 500 Q HA -0.205 4.134 4.340 -0.001 0.000 0.325 500 Q C -0.658 175.278 176.000 -0.107 0.000 1.372 500 Q CA 0.691 56.051 55.803 -0.738 0.000 0.909 500 Q CB -1.512 27.031 28.738 -0.325 0.000 1.167 500 Q HN 0.165 nan 8.270 nan 0.000 0.418 501 K N 0.617 121.000 120.400 -0.028 0.000 2.154 501 K HA 0.629 4.948 4.320 -0.001 0.000 0.264 501 K C -0.031 176.874 176.600 0.508 0.000 1.008 501 K CA -0.087 56.319 56.287 0.198 0.000 0.937 501 K CB 0.591 33.147 32.500 0.094 0.000 1.002 501 K HN 0.222 nan 8.250 nan 0.000 0.469 502 F N -0.296 119.821 119.950 0.278 0.000 2.711 502 F HA 0.618 5.145 4.527 -0.001 0.000 0.313 502 F C -1.161 174.743 175.800 0.173 0.000 1.141 502 F CA -1.547 56.648 58.000 0.324 0.000 0.941 502 F CB 0.738 39.937 39.000 0.332 0.000 1.349 502 F HN 0.422 nan 8.300 nan 0.000 0.464 503 I N -0.729 119.908 120.570 0.111 0.000 2.846 503 I HA 0.650 4.819 4.170 -0.001 0.000 0.307 503 I C -1.255 174.967 176.117 0.175 0.000 1.053 503 I CA -0.848 60.372 61.300 -0.133 0.000 1.050 503 I CB 2.110 39.830 38.000 -0.466 0.000 1.239 503 I HN 0.438 nan 8.210 nan 0.000 0.439 504 D N 4.203 124.718 120.400 0.192 0.000 2.264 504 D HA 0.510 5.149 4.640 -0.001 0.000 0.249 504 D C -0.680 175.701 176.300 0.134 0.000 1.070 504 D CA 0.073 54.273 54.000 0.334 0.000 0.912 504 D CB 2.352 43.369 40.800 0.361 0.000 1.193 504 D HN 0.452 nan 8.370 nan 0.000 0.427 505 L N 3.185 124.488 121.223 0.134 0.000 2.324 505 L HA 0.370 4.710 4.340 -0.001 0.000 0.274 505 L C 0.265 177.068 176.870 -0.112 0.000 1.012 505 L CA -0.440 54.437 54.840 0.061 0.000 0.859 505 L CB 0.233 42.407 42.059 0.191 0.000 1.224 505 L HN 0.445 nan 8.230 nan 0.000 0.429 506 N N -0.308 118.326 118.700 -0.110 0.000 3.277 506 N HA 0.182 4.922 4.740 -0.001 0.000 0.278 506 N C 0.259 175.658 175.510 -0.185 0.000 1.544 506 N CA -0.469 52.461 53.050 -0.200 0.000 0.869 506 N CB 1.303 39.730 38.487 -0.100 0.000 1.584 506 N HN 0.186 nan 8.380 nan 0.000 0.564 507 T N -2.795 111.607 114.554 -0.252 0.000 3.118 507 T HA 0.055 4.405 4.350 -0.001 0.000 0.260 507 T C 0.405 175.065 174.700 -0.067 0.000 1.139 507 T CA 0.709 62.695 62.100 -0.190 0.000 1.085 507 T CB -0.212 68.516 68.868 -0.234 0.000 0.934 507 T HN 0.466 nan 8.240 nan 0.000 0.518 508 E N 1.854 122.036 120.200 -0.030 0.000 2.312 508 E HA 0.350 4.700 4.350 -0.001 0.000 0.259 508 E C -2.633 173.971 176.600 0.006 0.000 1.122 508 E CA -2.569 53.833 56.400 0.003 0.000 0.922 508 E CB 0.428 30.144 29.700 0.026 0.000 1.109 508 E HN 0.141 nan 8.360 nan 0.000 0.442 509 P HA -0.046 nan 4.420 nan 0.000 0.267 509 P C -0.647 176.660 177.300 0.013 0.000 1.205 509 P CA 0.355 63.464 63.100 0.015 0.000 0.765 509 P CB 0.378 32.087 31.700 0.014 0.000 0.828 510 M N 4.008 123.620 119.600 0.020 0.000 2.286 510 M HA -0.049 4.431 4.480 -0.001 0.000 0.365 510 M C -0.198 176.075 176.300 -0.045 0.000 1.443 510 M CA 1.265 56.566 55.300 0.002 0.000 0.951 510 M CB -0.117 32.506 32.600 0.039 0.000 1.961 510 M HN 0.230 nan 8.290 nan 0.000 0.468 511 K N 3.844 124.182 120.400 -0.103 0.000 2.316 511 K HA 0.587 4.907 4.320 -0.001 0.000 0.251 511 K C -1.384 174.954 176.600 -0.437 0.000 0.934 511 K CA -0.958 55.189 56.287 -0.233 0.000 0.802 511 K CB 2.473 34.834 32.500 -0.231 0.000 1.171 511 K HN 0.441 nan 8.250 nan 0.000 0.426 512 V N 3.462 123.094 119.914 -0.471 0.000 2.481 512 V HA 0.309 4.428 4.120 -0.001 0.000 0.286 512 V C -0.128 175.511 176.094 -0.758 0.000 1.042 512 V CA -0.486 61.522 62.300 -0.487 0.000 0.928 512 V CB 1.088 32.778 31.823 -0.222 0.000 0.986 512 V HN 0.694 nan 8.190 nan 0.000 0.462 513 H N 2.805 121.543 119.070 -0.554 0.000 2.908 513 H HA 0.646 5.201 4.556 -0.001 0.000 0.350 513 H C -1.060 173.977 175.328 -0.485 0.000 1.217 513 H CA -0.803 54.882 56.048 -0.606 0.000 1.168 513 H CB 2.261 31.466 29.762 -0.927 0.000 1.891 513 H HN 0.597 nan 8.280 nan 0.000 0.566 514 Q N 0.212 120.050 119.800 0.063 0.000 2.451 514 Q HA 0.413 4.753 4.340 -0.001 0.000 0.281 514 Q C -0.610 175.645 176.000 0.425 0.000 1.099 514 Q CA -1.022 54.934 55.803 0.255 0.000 0.806 514 Q CB 2.832 31.635 28.738 0.108 0.000 1.419 514 Q HN 0.455 nan 8.270 nan 0.000 0.427 515 R N 0.839 121.559 120.500 0.367 0.000 3.059 515 R HA -0.209 4.131 4.340 -0.001 0.000 0.251 515 R C -0.647 175.769 176.300 0.194 0.000 0.886 515 R CA -0.136 56.111 56.100 0.245 0.000 0.634 515 R CB -1.579 28.810 30.300 0.149 0.000 1.282 515 R HN 0.465 nan 8.270 nan 0.000 0.487 516 L N 1.591 122.836 121.223 0.035 0.000 2.584 516 L HA 0.018 4.358 4.340 -0.001 0.000 0.272 516 L C 1.168 177.952 176.870 -0.144 0.000 1.195 516 L CA 0.776 55.406 54.840 -0.350 0.000 0.920 516 L CB 0.164 41.646 42.059 -0.961 0.000 1.173 516 L HN 0.474 nan 8.230 nan 0.000 0.489 517 R N 2.433 122.868 120.500 -0.109 0.000 3.741 517 R HA -0.202 4.137 4.340 -0.001 0.000 0.292 517 R C 1.051 177.390 176.300 0.066 0.000 1.176 517 R CA 1.009 57.103 56.100 -0.010 0.000 0.794 517 R CB -2.111 28.194 30.300 0.007 0.000 1.213 517 R HN 0.627 nan 8.270 nan 0.000 0.494 518 V N -0.386 119.568 119.914 0.066 0.000 2.392 518 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 518 V C 2.085 178.240 176.094 0.101 0.000 1.059 518 V CA 2.648 65.005 62.300 0.095 0.000 1.051 518 V CB -0.056 31.822 31.823 0.091 0.000 0.658 518 V HN 0.658 nan 8.190 nan 0.000 0.455 519 Q N -0.738 119.106 119.800 0.074 0.000 2.020 519 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 519 Q C 2.110 178.166 176.000 0.093 0.000 0.982 519 Q CA 2.394 58.230 55.803 0.055 0.000 0.838 519 Q CB -0.353 28.390 28.738 0.008 0.000 0.899 519 Q HN 0.522 nan 8.270 nan 0.000 0.423 520 M N -1.017 118.660 119.600 0.127 0.000 2.229 520 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 520 M C 2.271 178.846 176.300 0.457 0.000 1.063 520 M CA 0.823 56.273 55.300 0.250 0.000 1.114 520 M CB -1.080 31.718 32.600 0.330 0.000 1.387 520 M HN 0.330 nan 8.290 nan 0.000 0.420 521 c N -0.498 118.315 118.600 0.355 0.000 2.448 521 c HA -0.010 4.559 4.570 -0.001 0.000 0.280 521 c C 2.895 177.161 174.090 0.294 0.000 1.398 521 c CA 0.176 56.726 56.329 0.368 0.000 1.774 521 c CB -0.850 41.808 42.510 0.246 0.000 1.888 521 c HN 0.304 nan 8.230 nan 0.000 0.519 522 V N 0.492 120.542 119.914 0.228 0.000 2.427 522 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 522 V C 2.020 178.228 176.094 0.190 0.000 1.051 522 V CA 2.033 64.439 62.300 0.176 0.000 1.048 522 V CB -0.726 31.174 31.823 0.129 0.000 0.666 522 V HN 0.579 nan 8.190 nan 0.000 0.456 523 F N -0.098 119.891 119.950 0.065 0.000 2.084 523 F HA -0.174 4.352 4.527 -0.001 0.000 0.296 523 F C 1.989 177.777 175.800 -0.020 0.000 1.111 523 F CA 1.698 59.690 58.000 -0.012 0.000 1.224 523 F CB -0.426 38.456 39.000 -0.197 0.000 0.991 523 F HN 0.160 nan 8.300 nan 0.000 0.471 524 W N 0.927 122.300 121.300 0.121 0.000 2.381 524 W HA -0.064 4.595 4.660 -0.001 0.000 0.301 524 W C 2.274 178.740 176.519 -0.088 0.000 1.205 524 W CA 1.558 58.887 57.345 -0.027 0.000 1.285 524 W CB -0.687 28.880 29.460 0.179 0.000 1.133 524 W HN 0.030 nan 8.180 nan 0.000 0.521 525 N N -1.060 117.758 118.700 0.197 0.000 2.395 525 N HA -0.053 4.687 4.740 -0.001 0.000 0.175 525 N C 1.532 177.040 175.510 -0.002 0.000 1.029 525 N CA 0.718 53.803 53.050 0.057 0.000 0.897 525 N CB 0.051 38.593 38.487 0.092 0.000 0.991 525 N HN 0.287 nan 8.380 nan 0.000 0.441 526 Q N -0.597 119.218 119.800 0.025 0.000 2.606 526 Q HA 0.118 4.458 4.340 -0.001 0.000 0.215 526 Q C 1.174 177.170 176.000 -0.006 0.000 0.908 526 Q CA 0.062 55.879 55.803 0.024 0.000 0.908 526 Q CB 0.044 28.831 28.738 0.080 0.000 1.120 526 Q HN 0.153 nan 8.270 nan 0.000 0.628 527 F N 1.773 121.624 119.950 -0.165 0.000 2.060 527 F HA -0.171 4.356 4.527 -0.001 0.000 0.295 527 F C 1.995 177.596 175.800 -0.331 0.000 1.120 527 F CA 1.011 58.881 58.000 -0.217 0.000 1.205 527 F CB -0.339 38.550 39.000 -0.185 0.000 0.986 527 F HN 0.041 nan 8.300 nan 0.000 0.470 528 L N 1.183 121.994 121.223 -0.687 0.000 2.043 528 L HA -0.122 4.218 4.340 -0.001 0.000 0.212 528 L C -0.909 175.671 176.870 -0.483 0.000 1.075 528 L CA 2.228 56.611 54.840 -0.762 0.000 0.752 528 L CB -1.875 39.652 42.059 -0.887 0.000 0.891 528 L HN 0.023 nan 8.230 nan 0.000 0.432 529 P HA -0.166 nan 4.420 nan 0.000 0.217 529 P C 1.398 178.559 177.300 -0.232 0.000 1.150 529 P CA 1.639 64.609 63.100 -0.218 0.000 0.832 529 P CB 0.000 31.608 31.700 -0.153 0.000 0.787 530 K N -0.622 119.611 120.400 -0.278 0.000 2.057 530 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 530 K C 2.094 178.508 176.600 -0.310 0.000 1.049 530 K CA 1.035 57.173 56.287 -0.248 0.000 0.931 530 K CB -0.888 31.478 32.500 -0.224 0.000 0.714 530 K HN 0.130 nan 8.250 nan 0.000 0.440 531 L N 1.287 122.200 121.223 -0.516 0.000 1.989 531 L HA -0.198 4.141 4.340 -0.001 0.000 0.211 531 L C 2.049 178.761 176.870 -0.265 0.000 1.071 531 L CA 1.392 55.951 54.840 -0.468 0.000 0.749 531 L CB -0.185 41.454 42.059 -0.700 0.000 0.890 531 L HN 0.175 nan 8.230 nan 0.000 0.431 532 L N 0.175 121.253 121.223 -0.243 0.000 2.191 532 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 532 L C 2.450 179.254 176.870 -0.110 0.000 1.103 532 L CA 1.231 55.982 54.840 -0.147 0.000 0.769 532 L CB -0.856 41.128 42.059 -0.125 0.000 0.908 532 L HN 0.519 nan 8.230 nan 0.000 0.438 533 N N 0.731 119.357 118.700 -0.123 0.000 2.207 533 N HA -0.112 4.628 4.740 -0.001 0.000 0.182 533 N C 1.828 177.292 175.510 -0.076 0.000 1.020 533 N CA 1.329 54.327 53.050 -0.087 0.000 0.858 533 N CB 0.212 38.647 38.487 -0.087 0.000 0.991 533 N HN 0.260 nan 8.380 nan 0.000 0.427 534 A N -0.019 122.745 122.820 -0.094 0.000 2.067 534 A HA -0.056 4.264 4.320 -0.001 0.000 0.219 534 A C 1.827 179.375 177.584 -0.059 0.000 1.158 534 A CA 1.840 53.834 52.037 -0.072 0.000 0.661 534 A CB -0.669 18.282 19.000 -0.082 0.000 0.801 534 A HN 0.565 nan 8.150 nan 0.000 0.452 535 T N -4.250 110.263 114.554 -0.068 0.000 3.176 535 T HA 0.666 5.016 4.350 -0.001 0.000 0.263 535 T C 0.182 174.858 174.700 -0.040 0.000 1.021 535 T CA 0.589 62.659 62.100 -0.050 0.000 0.905 535 T CB -0.130 68.705 68.868 -0.055 0.000 1.057 535 T HN 1.267 nan 8.240 nan 0.000 0.558 536 A N 0.000 122.797 122.820 -0.039 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486