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 1b8j_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DXAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.696 174.700 -0.007 0.000 1.109 1 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 1 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 2 P HA 0.700 nan 4.420 nan 0.000 0.304 2 P C -1.214 176.080 177.300 -0.010 0.000 1.360 2 P CA -0.496 62.597 63.100 -0.011 0.000 0.869 2 P CB 2.021 33.712 31.700 -0.017 0.000 0.988 3 E N 2.265 122.465 120.200 -0.001 0.000 2.343 3 E HA 0.468 4.817 4.350 -0.001 0.000 0.270 3 E C -1.065 175.552 176.600 0.027 0.000 0.895 3 E CA -0.832 55.574 56.400 0.010 0.000 0.767 3 E CB 1.919 31.631 29.700 0.019 0.000 1.248 3 E HN 0.416 nan 8.360 nan 0.000 0.440 4 M N 4.397 124.029 119.600 0.054 0.000 2.129 4 M HA 0.365 4.844 4.480 -0.001 0.000 0.348 4 M C -2.256 174.199 176.300 0.258 0.000 1.116 4 M CA -1.891 53.467 55.300 0.097 0.000 1.022 4 M CB 1.510 34.080 32.600 -0.050 0.000 1.599 4 M HN 0.216 nan 8.290 nan 0.000 0.449 5 P HA 0.270 nan 4.420 nan 0.000 0.278 5 P C -0.911 176.474 177.300 0.143 0.000 1.238 5 P CA -0.481 62.701 63.100 0.138 0.000 0.794 5 P CB 1.031 32.777 31.700 0.077 0.000 0.955 6 V N 1.046 120.951 119.914 -0.014 0.000 2.732 6 V HA 0.419 4.539 4.120 -0.001 0.000 0.310 6 V C 0.139 176.242 176.094 0.015 0.000 1.053 6 V CA -1.223 61.020 62.300 -0.094 0.000 0.957 6 V CB 1.008 32.667 31.823 -0.274 0.000 1.018 6 V HN 0.304 nan 8.190 nan 0.000 0.452 7 L N 2.452 123.718 121.223 0.071 0.000 2.562 7 L HA 0.155 4.495 4.340 -0.001 0.000 0.271 7 L C 1.429 178.393 176.870 0.157 0.000 1.167 7 L CA 0.199 55.110 54.840 0.117 0.000 0.917 7 L CB 0.080 42.259 42.059 0.200 0.000 1.187 7 L HN 0.853 nan 8.230 nan 0.000 0.482 8 E N 2.175 122.403 120.200 0.047 0.000 2.112 8 E HA -0.032 4.318 4.350 -0.001 0.000 0.190 8 E C 0.339 176.915 176.600 -0.039 0.000 0.979 8 E CA 0.891 57.314 56.400 0.038 0.000 0.814 8 E CB 0.293 29.988 29.700 -0.008 0.000 0.762 8 E HN 0.541 nan 8.360 nan 0.000 0.460 9 N N -0.377 118.145 118.700 -0.296 0.000 2.616 9 N HA 0.111 4.851 4.740 -0.001 0.000 0.281 9 N C -1.186 173.824 175.510 -0.833 0.000 1.145 9 N CA -0.159 52.479 53.050 -0.687 0.000 0.919 9 N CB 0.722 39.014 38.487 -0.324 0.000 1.509 9 N HN -0.077 nan 8.380 nan 0.000 0.537 10 R N 1.262 120.812 120.500 -1.583 0.000 2.696 10 R HA 0.321 4.660 4.340 -0.001 0.000 0.355 10 R C 0.071 176.093 176.300 -0.463 0.000 1.138 10 R CA -0.338 55.335 56.100 -0.712 0.000 1.059 10 R CB 0.766 30.915 30.300 -0.252 0.000 1.380 10 R HN 0.445 nan 8.270 nan 0.000 0.578 11 A N 0.914 123.453 122.820 -0.468 0.000 2.304 11 A HA 0.605 4.925 4.320 -0.001 0.000 0.271 11 A C 0.378 177.889 177.584 -0.122 0.000 1.091 11 A CA -0.376 51.561 52.037 -0.166 0.000 0.812 11 A CB 0.476 19.407 19.000 -0.115 0.000 1.056 11 A HN 0.390 nan 8.150 nan 0.000 0.489 12 A N 0.864 123.644 122.820 -0.066 0.000 2.584 12 A HA 0.169 4.489 4.320 -0.001 0.000 0.239 12 A C 0.982 178.529 177.584 -0.063 0.000 1.043 12 A CA 0.116 52.121 52.037 -0.054 0.000 0.756 12 A CB 0.056 19.034 19.000 -0.038 0.000 0.963 12 A HN 0.797 nan 8.150 nan 0.000 0.511 13 Q N 1.374 121.138 119.800 -0.060 0.000 2.369 13 Q HA 0.073 4.412 4.340 -0.001 0.000 0.206 13 Q C 1.131 177.104 176.000 -0.044 0.000 0.963 13 Q CA 1.362 57.130 55.803 -0.058 0.000 0.894 13 Q CB 0.097 28.802 28.738 -0.055 0.000 0.965 13 Q HN 0.974 nan 8.270 nan 0.000 0.475 14 G N -0.505 108.272 108.800 -0.037 0.000 3.008 14 G HA2 0.059 4.019 3.960 -0.001 0.000 0.148 14 G HA3 0.059 4.019 3.960 -0.001 0.000 0.148 14 G C -1.460 173.424 174.900 -0.027 0.000 1.184 14 G CA -0.418 44.664 45.100 -0.030 0.000 1.087 14 G HN 0.054 nan 8.290 nan 0.000 0.602 15 D N 1.461 121.847 120.400 -0.023 0.000 2.336 15 D HA 0.172 4.812 4.640 -0.001 0.000 0.249 15 D C 1.971 178.258 176.300 -0.020 0.000 1.213 15 D CA -0.557 53.430 54.000 -0.021 0.000 0.870 15 D CB 0.781 41.570 40.800 -0.018 0.000 1.076 15 D HN 0.427 nan 8.370 nan 0.000 0.483 16 I N 1.447 122.005 120.570 -0.021 0.000 2.700 16 I HA -0.149 4.020 4.170 -0.001 0.000 0.261 16 I C 1.377 177.484 176.117 -0.016 0.000 1.219 16 I CA 1.179 62.468 61.300 -0.019 0.000 1.463 16 I CB -0.506 37.482 38.000 -0.020 0.000 1.092 16 I HN 0.295 nan 8.210 nan 0.000 0.452 17 T N -1.295 113.250 114.554 -0.015 0.000 3.081 17 T HA 0.493 4.843 4.350 -0.001 0.000 0.255 17 T C 0.818 175.510 174.700 -0.012 0.000 1.113 17 T CA 0.185 62.277 62.100 -0.013 0.000 1.082 17 T CB -0.149 68.712 68.868 -0.013 0.000 0.939 17 T HN 0.431 nan 8.240 nan 0.000 0.506 18 A N 1.904 124.716 122.820 -0.013 0.000 2.294 18 A HA 0.734 5.053 4.320 -0.001 0.000 0.330 18 A C -2.721 174.855 177.584 -0.013 0.000 1.133 18 A CA -2.254 49.775 52.037 -0.013 0.000 0.836 18 A CB 0.335 19.327 19.000 -0.013 0.000 1.190 18 A HN 0.157 nan 8.150 nan 0.000 0.492 19 P HA 0.210 nan 4.420 nan 0.000 0.261 19 P C 0.997 178.289 177.300 -0.013 0.000 1.183 19 P CA 2.184 65.278 63.100 -0.011 0.000 0.761 19 P CB 0.430 32.124 31.700 -0.010 0.000 0.785 20 G N 3.226 112.018 108.800 -0.013 0.000 2.196 20 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.268 20 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.268 20 G C 1.239 176.128 174.900 -0.019 0.000 0.975 20 G CA 0.404 45.494 45.100 -0.016 0.000 0.648 20 G HN 0.732 nan 8.290 nan 0.000 0.538 21 G N -0.078 108.711 108.800 -0.019 0.000 2.534 21 G HA2 0.338 4.298 3.960 -0.001 0.000 0.217 21 G HA3 0.338 4.298 3.960 -0.001 0.000 0.217 21 G C 1.578 176.463 174.900 -0.025 0.000 1.128 21 G CA 1.708 46.795 45.100 -0.022 0.000 0.784 21 G HN 1.513 nan 8.290 nan 0.000 0.542 22 A N -0.003 122.804 122.820 -0.022 0.000 2.275 22 A HA 0.381 4.701 4.320 -0.001 0.000 0.212 22 A C 1.320 178.889 177.584 -0.024 0.000 1.201 22 A CA -0.435 51.589 52.037 -0.022 0.000 0.843 22 A CB 0.003 18.993 19.000 -0.016 0.000 0.873 22 A HN 0.284 nan 8.150 nan 0.000 0.492 23 R N 0.114 120.599 120.500 -0.026 0.000 2.570 23 R HA 0.162 4.502 4.340 -0.001 0.000 0.277 23 R C 0.626 176.901 176.300 -0.042 0.000 1.039 23 R CA 0.142 56.225 56.100 -0.028 0.000 1.065 23 R CB 0.370 30.653 30.300 -0.028 0.000 0.964 23 R HN 0.383 nan 8.270 nan 0.000 0.428 24 R N 2.013 122.488 120.500 -0.042 0.000 2.282 24 R HA 0.183 4.522 4.340 -0.001 0.000 0.195 24 R C 0.179 176.432 176.300 -0.079 0.000 0.909 24 R CA 0.242 56.301 56.100 -0.069 0.000 1.039 24 R CB 0.311 30.582 30.300 -0.048 0.000 1.015 24 R HN 0.375 nan 8.270 nan 0.000 0.513 25 L N 0.319 121.511 121.223 -0.051 0.000 2.344 25 L HA 0.301 4.641 4.340 -0.001 0.000 0.272 25 L C 1.164 178.008 176.870 -0.044 0.000 1.035 25 L CA -0.342 54.471 54.840 -0.046 0.000 0.807 25 L CB 1.815 43.859 42.059 -0.026 0.000 1.237 25 L HN 0.034 nan 8.230 nan 0.000 0.442 26 T N -2.863 111.665 114.554 -0.043 0.000 3.040 26 T HA 0.499 4.849 4.350 -0.001 0.000 0.266 26 T C 0.366 175.050 174.700 -0.027 0.000 1.005 26 T CA 0.136 62.213 62.100 -0.037 0.000 0.906 26 T CB 0.582 69.424 68.868 -0.043 0.000 1.082 26 T HN 0.839 nan 8.240 nan 0.000 0.531 27 G N 0.491 109.278 108.800 -0.023 0.000 2.322 27 G HA2 0.389 4.348 3.960 -0.001 0.000 0.295 27 G HA3 0.389 4.348 3.960 -0.001 0.000 0.295 27 G C -2.085 172.808 174.900 -0.012 0.000 1.369 27 G CA -0.792 44.298 45.100 -0.016 0.000 0.821 27 G HN 0.217 nan 8.290 nan 0.000 0.536 28 D N -0.516 119.879 120.400 -0.009 0.000 2.488 28 D HA 0.285 4.925 4.640 -0.001 0.000 0.238 28 D C 1.184 177.482 176.300 -0.004 0.000 1.138 28 D CA 0.229 54.226 54.000 -0.005 0.000 0.873 28 D CB 0.872 41.670 40.800 -0.004 0.000 1.183 28 D HN 0.202 nan 8.370 nan 0.000 0.458 29 Q N 2.005 121.805 119.800 -0.001 0.000 2.319 29 Q HA 0.013 4.353 4.340 -0.001 0.000 0.202 29 Q C 1.633 177.636 176.000 0.005 0.000 0.896 29 Q CA 0.242 56.047 55.803 0.003 0.000 0.942 29 Q CB 0.261 29.003 28.738 0.006 0.000 1.083 29 Q HN 0.593 nan 8.270 nan 0.000 0.510 30 T N 1.484 116.040 114.554 0.003 0.000 2.580 30 T HA -0.228 4.121 4.350 -0.001 0.000 0.265 30 T C 1.879 176.581 174.700 0.002 0.000 1.063 30 T CA 2.015 64.117 62.100 0.003 0.000 1.170 30 T CB -0.287 68.581 68.868 0.001 0.000 0.863 30 T HN 0.426 nan 8.240 nan 0.000 0.418 31 A N 1.537 124.358 122.820 0.001 0.000 1.908 31 A HA 0.076 4.396 4.320 -0.001 0.000 0.218 31 A C 2.680 180.266 177.584 0.004 0.000 1.181 31 A CA 2.121 54.158 52.037 0.001 0.000 0.627 31 A CB -1.230 17.770 19.000 0.000 0.000 0.818 31 A HN 0.559 nan 8.150 nan 0.000 0.445 32 A N -0.940 121.885 122.820 0.008 0.000 1.902 32 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 32 A C 2.076 179.671 177.584 0.019 0.000 1.181 32 A CA 1.751 53.797 52.037 0.015 0.000 0.623 32 A CB -0.522 18.489 19.000 0.017 0.000 0.818 32 A HN 0.440 nan 8.150 nan 0.000 0.443 33 L N -0.288 120.944 121.223 0.015 0.000 2.056 33 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 33 L C 2.576 179.448 176.870 0.003 0.000 1.078 33 L CA 1.585 56.433 54.840 0.014 0.000 0.749 33 L CB -0.623 41.442 42.059 0.011 0.000 0.901 33 L HN 0.327 nan 8.230 nan 0.000 0.433 34 R N -0.529 119.971 120.500 -0.001 0.000 2.105 34 R HA -0.166 4.174 4.340 -0.001 0.000 0.239 34 R C 1.491 177.785 176.300 -0.011 0.000 1.135 34 R CA 1.480 57.575 56.100 -0.008 0.000 0.967 34 R CB -0.441 29.855 30.300 -0.007 0.000 0.861 34 R HN 0.373 nan 8.270 nan 0.000 0.442 35 D N -0.346 120.051 120.400 -0.004 0.000 2.348 35 D HA -0.023 4.617 4.640 -0.001 0.000 0.216 35 D C 1.159 177.453 176.300 -0.009 0.000 0.970 35 D CA 0.834 54.831 54.000 -0.005 0.000 0.889 35 D CB 0.180 40.984 40.800 0.007 0.000 0.912 35 D HN 0.039 nan 8.370 nan 0.000 0.524 36 S N -0.468 115.228 115.700 -0.007 0.000 2.524 36 S HA 0.158 4.628 4.470 -0.001 0.000 0.216 36 S C 0.888 175.452 174.600 -0.060 0.000 0.987 36 S CA -0.179 58.009 58.200 -0.019 0.000 0.909 36 S CB 0.582 63.793 63.200 0.019 0.000 0.781 36 S HN 0.197 nan 8.310 nan 0.000 0.521 37 L N 2.295 123.486 121.223 -0.053 0.000 2.278 37 L HA 0.507 4.846 4.340 -0.001 0.000 0.287 37 L C 0.100 176.915 176.870 -0.092 0.000 1.072 37 L CA -0.232 54.566 54.840 -0.071 0.000 0.819 37 L CB 1.016 43.043 42.059 -0.053 0.000 1.176 37 L HN 0.044 nan 8.230 nan 0.000 0.435 38 S N 1.131 116.753 115.700 -0.130 0.000 2.543 38 S HA 0.339 4.809 4.470 -0.001 0.000 0.271 38 S C -0.373 174.083 174.600 -0.240 0.000 1.148 38 S CA -0.799 57.314 58.200 -0.145 0.000 0.914 38 S CB 1.516 64.641 63.200 -0.126 0.000 1.096 38 S HN 0.695 nan 8.310 nan 0.000 0.471 39 D N 1.928 122.183 120.400 -0.242 0.000 2.368 39 D HA 0.253 4.893 4.640 -0.001 0.000 0.218 39 D C 0.153 176.331 176.300 -0.204 0.000 1.112 39 D CA -0.305 53.453 54.000 -0.403 0.000 0.834 39 D CB 0.030 40.681 40.800 -0.249 0.000 0.953 39 D HN 0.115 nan 8.370 nan 0.000 0.505 40 K N 1.722 122.067 120.400 -0.091 0.000 2.440 40 K HA 0.241 4.561 4.320 -0.001 0.000 0.270 40 K C -2.317 174.373 176.600 0.149 0.000 0.980 40 K CA -1.886 54.410 56.287 0.016 0.000 0.953 40 K CB -0.198 32.294 32.500 -0.012 0.000 0.925 40 K HN 0.052 nan 8.250 nan 0.000 0.497 41 P HA 0.088 nan 4.420 nan 0.000 0.272 41 P C -1.287 176.039 177.300 0.043 0.000 1.223 41 P CA -0.178 62.980 63.100 0.097 0.000 0.784 41 P CB 0.801 32.517 31.700 0.028 0.000 0.923 42 A N 2.432 125.237 122.820 -0.024 0.000 2.290 42 A HA 0.252 4.571 4.320 -0.001 0.000 0.310 42 A C 1.215 178.756 177.584 -0.072 0.000 1.202 42 A CA -0.385 51.623 52.037 -0.048 0.000 0.837 42 A CB 0.243 19.198 19.000 -0.076 0.000 1.139 42 A HN 0.588 nan 8.150 nan 0.000 0.509 43 K N 1.676 122.031 120.400 -0.075 0.000 2.137 43 K HA 0.008 4.328 4.320 -0.001 0.000 0.202 43 K C -0.056 176.453 176.600 -0.151 0.000 1.052 43 K CA 0.839 57.080 56.287 -0.077 0.000 0.961 43 K CB 0.009 32.480 32.500 -0.047 0.000 0.741 43 K HN 0.821 nan 8.250 nan 0.000 0.452 44 N N -0.032 118.529 118.700 -0.232 0.000 2.405 44 N HA 0.372 5.112 4.740 -0.001 0.000 0.285 44 N C -1.161 174.148 175.510 -0.335 0.000 1.262 44 N CA -0.537 52.219 53.050 -0.490 0.000 0.773 44 N CB 2.111 40.051 38.487 -0.912 0.000 1.490 44 N HN -0.049 nan 8.380 nan 0.000 0.486 45 I N 1.308 121.664 120.570 -0.356 0.000 2.569 45 I HA 0.425 4.595 4.170 -0.001 0.000 0.290 45 I C -0.821 175.154 176.117 -0.237 0.000 1.088 45 I CA -0.537 60.652 61.300 -0.185 0.000 1.047 45 I CB 2.263 40.249 38.000 -0.024 0.000 1.237 45 I HN 0.281 nan 8.210 nan 0.000 0.421 46 I N 6.843 127.329 120.570 -0.140 0.000 2.382 46 I HA 0.299 4.469 4.170 -0.001 0.000 0.285 46 I C -1.024 174.996 176.117 -0.162 0.000 1.007 46 I CA -0.697 60.529 61.300 -0.123 0.000 1.142 46 I CB 1.873 39.884 38.000 0.019 0.000 1.289 46 I HN 0.266 nan 8.210 nan 0.000 0.453 47 L N 8.422 129.490 121.223 -0.259 0.000 2.276 47 L HA 0.504 4.843 4.340 -0.001 0.000 0.286 47 L C -1.084 175.671 176.870 -0.192 0.000 1.024 47 L CA -0.265 54.449 54.840 -0.210 0.000 0.826 47 L CB 0.811 42.757 42.059 -0.187 0.000 1.211 47 L HN 0.359 nan 8.230 nan 0.000 0.422 48 L N 6.546 127.660 121.223 -0.182 0.000 2.296 48 L HA 0.503 4.843 4.340 -0.001 0.000 0.286 48 L C -0.363 176.380 176.870 -0.212 0.000 1.023 48 L CA -0.378 54.361 54.840 -0.169 0.000 0.812 48 L CB 1.658 43.629 42.059 -0.146 0.000 1.223 48 L HN 0.485 nan 8.230 nan 0.000 0.421 49 I N 2.493 122.947 120.570 -0.194 0.000 2.389 49 I HA 0.374 4.544 4.170 -0.001 0.000 0.288 49 I C 0.655 176.679 176.117 -0.156 0.000 0.999 49 I CA -0.279 60.888 61.300 -0.222 0.000 1.129 49 I CB 1.904 39.776 38.000 -0.213 0.000 1.288 49 I HN 0.591 nan 8.210 nan 0.000 0.444 50 G N 4.830 113.528 108.800 -0.171 0.000 2.329 50 G HA2 0.155 4.115 3.960 -0.001 0.000 0.309 50 G HA3 0.155 4.115 3.960 -0.001 0.000 0.309 50 G C -0.277 174.539 174.900 -0.140 0.000 1.110 50 G CA -0.316 44.694 45.100 -0.149 0.000 0.923 50 G HN 0.584 nan 8.290 nan 0.000 0.430 51 D N 1.981 122.322 120.400 -0.098 0.000 2.358 51 D HA 0.324 4.964 4.640 -0.001 0.000 0.258 51 D C 1.435 177.646 176.300 -0.148 0.000 1.223 51 D CA 1.333 55.269 54.000 -0.108 0.000 0.886 51 D CB 0.820 41.626 40.800 0.010 0.000 1.120 51 D HN 0.799 nan 8.370 nan 0.000 0.482 52 G N 4.166 112.748 108.800 -0.363 0.000 2.148 52 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.254 52 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.254 52 G C 0.646 175.497 174.900 -0.081 0.000 0.981 52 G CA 0.350 45.341 45.100 -0.183 0.000 0.670 52 G HN 0.570 nan 8.290 nan 0.000 0.528 53 M N 2.083 121.602 119.600 -0.135 0.000 3.213 53 M HA 0.478 4.958 4.480 -0.001 0.000 0.275 53 M C 1.044 177.306 176.300 -0.064 0.000 1.424 53 M CA 0.462 55.707 55.300 -0.093 0.000 1.561 53 M CB -0.594 31.933 32.600 -0.122 0.000 1.109 53 M HN 0.265 nan 8.290 nan 0.000 0.552 54 G N 1.495 110.287 108.800 -0.014 0.000 2.525 54 G HA2 0.114 4.074 3.960 -0.001 0.000 0.287 54 G HA3 0.114 4.074 3.960 -0.001 0.000 0.287 54 G C 0.278 175.193 174.900 0.025 0.000 1.350 54 G CA -0.396 44.719 45.100 0.024 0.000 1.039 54 G HN 0.651 nan 8.290 nan 0.000 0.513 55 D N -0.745 119.682 120.400 0.044 0.000 2.144 55 D HA -0.159 4.481 4.640 -0.001 0.000 0.199 55 D C 2.490 178.816 176.300 0.043 0.000 0.984 55 D CA 1.613 55.638 54.000 0.042 0.000 0.834 55 D CB 0.116 40.946 40.800 0.049 0.000 0.955 55 D HN 0.293 nan 8.370 nan 0.000 0.465 56 S N 0.569 116.295 115.700 0.042 0.000 2.368 56 S HA -0.176 4.293 4.470 -0.001 0.000 0.225 56 S C 1.751 176.369 174.600 0.030 0.000 1.030 56 S CA 1.184 59.403 58.200 0.032 0.000 0.999 56 S CB 0.081 63.296 63.200 0.024 0.000 0.844 56 S HN 0.038 nan 8.310 nan 0.000 0.459 57 E N 1.168 121.383 120.200 0.024 0.000 2.106 57 E HA 0.052 4.402 4.350 -0.001 0.000 0.192 57 E C 1.879 178.507 176.600 0.047 0.000 0.984 57 E CA 0.982 57.392 56.400 0.016 0.000 0.806 57 E CB -0.325 29.367 29.700 -0.014 0.000 0.750 57 E HN 0.607 nan 8.360 nan 0.000 0.458 58 I N 0.463 121.066 120.570 0.055 0.000 2.252 58 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 58 I C 1.904 178.132 176.117 0.185 0.000 1.102 58 I CA 1.350 62.721 61.300 0.120 0.000 1.385 58 I CB -0.422 37.628 38.000 0.084 0.000 1.064 58 I HN 0.115 nan 8.210 nan 0.000 0.414 59 T N 0.823 115.442 114.554 0.108 0.000 2.777 59 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 59 T C 2.091 176.843 174.700 0.088 0.000 1.040 59 T CA 1.348 63.498 62.100 0.083 0.000 1.141 59 T CB -0.333 68.567 68.868 0.053 0.000 0.868 59 T HN 0.454 nan 8.240 nan 0.000 0.444 60 A N 1.498 124.372 122.820 0.090 0.000 1.902 60 A HA 0.199 4.518 4.320 -0.001 0.000 0.217 60 A C 2.634 180.318 177.584 0.166 0.000 1.181 60 A CA 1.752 53.850 52.037 0.102 0.000 0.623 60 A CB -1.055 17.986 19.000 0.068 0.000 0.818 60 A HN 0.510 nan 8.150 nan 0.000 0.443 61 A N -0.674 122.266 122.820 0.199 0.000 1.929 61 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 61 A C 2.254 180.028 177.584 0.316 0.000 1.176 61 A CA 1.480 53.705 52.037 0.314 0.000 0.628 61 A CB -0.442 18.758 19.000 0.332 0.000 0.816 61 A HN 0.520 nan 8.150 nan 0.000 0.444 62 R N -0.217 120.358 120.500 0.124 0.000 2.062 62 R HA -0.149 4.191 4.340 -0.001 0.000 0.231 62 R C 1.850 178.066 176.300 -0.141 0.000 1.136 62 R CA 1.639 57.520 56.100 -0.364 0.000 0.948 62 R CB -0.331 29.782 30.300 -0.312 0.000 0.845 62 R HN 0.504 nan 8.270 nan 0.000 0.430 63 N N 0.108 118.804 118.700 -0.007 0.000 2.061 63 N HA -0.247 4.493 4.740 -0.001 0.000 0.193 63 N C 1.518 177.052 175.510 0.041 0.000 1.030 63 N CA 1.569 54.628 53.050 0.015 0.000 0.856 63 N CB -0.702 37.817 38.487 0.053 0.000 1.023 63 N HN 0.320 nan 8.380 nan 0.000 0.424 64 Y N 0.664 120.989 120.300 0.041 0.000 2.163 64 Y HA 0.020 4.570 4.550 -0.000 0.000 0.288 64 Y C 2.156 178.113 175.900 0.096 0.000 1.136 64 Y CA 1.778 59.929 58.100 0.084 0.000 1.147 64 Y CB -0.296 38.259 38.460 0.158 0.000 0.987 64 Y HN 0.082 nan 8.280 nan 0.000 0.509 65 A N -0.964 122.029 122.820 0.288 0.000 2.095 65 A HA 0.114 4.434 4.320 -0.001 0.000 0.212 65 A C 1.620 179.229 177.584 0.042 0.000 1.162 65 A CA 0.998 53.193 52.037 0.263 0.000 0.753 65 A CB 0.010 19.314 19.000 0.506 0.000 0.840 65 A HN 0.449 nan 8.150 nan 0.000 0.468 66 E N -1.080 119.062 120.200 -0.097 0.000 2.572 66 E HA 0.322 4.671 4.350 -0.001 0.000 0.220 66 E C 0.667 177.202 176.600 -0.108 0.000 0.945 66 E CA 0.614 56.935 56.400 -0.133 0.000 1.070 66 E CB 0.720 30.247 29.700 -0.287 0.000 1.090 66 E HN 0.682 nan 8.360 nan 0.000 0.506 67 G N 1.252 109.990 108.800 -0.103 0.000 2.712 67 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 67 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 67 G C 0.791 175.649 174.900 -0.071 0.000 1.321 67 G CA -0.160 44.892 45.100 -0.080 0.000 0.813 67 G HN 0.199 nan 8.290 nan 0.000 0.599 68 A N 0.072 122.864 122.820 -0.047 0.000 1.978 68 A HA 0.262 4.582 4.320 -0.001 0.000 0.220 68 A C 2.561 180.126 177.584 -0.031 0.000 1.170 68 A CA 2.611 54.628 52.037 -0.033 0.000 0.636 68 A CB -0.449 18.539 19.000 -0.019 0.000 0.810 68 A HN 2.386 nan 8.150 nan 0.000 0.448 69 G N -1.240 107.540 108.800 -0.033 0.000 3.189 69 G HA2 0.430 4.390 3.960 -0.001 0.000 0.225 69 G HA3 0.430 4.390 3.960 -0.001 0.000 0.225 69 G C 0.695 175.582 174.900 -0.021 0.000 1.159 69 G CA 0.623 45.708 45.100 -0.024 0.000 0.763 69 G HN 0.715 nan 8.290 nan 0.000 0.549 70 G N -0.281 108.499 108.800 -0.033 0.000 2.494 70 G HA2 0.504 4.463 3.960 -0.001 0.000 0.270 70 G HA3 0.504 4.463 3.960 -0.001 0.000 0.270 70 G C -1.062 173.878 174.900 0.068 0.000 1.423 70 G CA -0.788 44.303 45.100 -0.014 0.000 1.055 70 G HN 0.377 nan 8.290 nan 0.000 0.536 71 F N -1.340 118.511 119.950 -0.164 0.000 2.623 71 F HA 0.537 5.064 4.527 -0.000 0.000 0.323 71 F C -1.772 173.977 175.800 -0.085 0.000 1.158 71 F CA -1.431 56.499 58.000 -0.117 0.000 1.030 71 F CB 1.210 40.184 39.000 -0.044 0.000 1.280 71 F HN 0.275 nan 8.300 nan 0.000 0.474 72 F N 5.863 125.591 119.950 -0.369 0.000 2.472 72 F HA 0.330 4.857 4.527 -0.000 0.000 0.364 72 F C 1.368 176.698 175.800 -0.784 0.000 1.090 72 F CA -0.089 57.674 58.000 -0.395 0.000 1.188 72 F CB 1.353 40.188 39.000 -0.275 0.000 1.105 72 F HN 0.575 nan 8.300 nan 0.000 0.536 73 K N 1.802 122.058 120.400 -0.240 0.000 2.362 73 K HA -0.029 4.290 4.320 -0.001 0.000 0.200 73 K C 1.894 178.357 176.600 -0.228 0.000 1.046 73 K CA 0.986 57.118 56.287 -0.258 0.000 0.952 73 K CB 0.025 32.530 32.500 0.008 0.000 0.753 73 K HN 0.887 nan 8.250 nan 0.000 0.466 74 G N 0.426 109.112 108.800 -0.191 0.000 2.729 74 G HA2 -0.042 3.917 3.960 -0.001 0.000 0.211 74 G HA3 -0.042 3.917 3.960 -0.001 0.000 0.211 74 G C 1.337 176.113 174.900 -0.206 0.000 1.182 74 G CA -0.197 44.795 45.100 -0.180 0.000 0.851 74 G HN 0.045 nan 8.290 nan 0.000 0.607 75 I N 1.485 121.915 120.570 -0.233 0.000 2.335 75 I HA -0.126 4.043 4.170 -0.001 0.000 0.251 75 I C 1.371 177.407 176.117 -0.135 0.000 1.129 75 I CA 1.226 62.404 61.300 -0.204 0.000 1.402 75 I CB -0.015 37.804 38.000 -0.303 0.000 1.069 75 I HN 0.082 nan 8.210 nan 0.000 0.424 76 D N 0.371 120.654 120.400 -0.196 0.000 2.369 76 D HA 0.160 4.800 4.640 -0.001 0.000 0.211 76 D C 1.771 178.001 176.300 -0.116 0.000 1.077 76 D CA 0.404 54.305 54.000 -0.164 0.000 0.842 76 D CB 0.534 41.198 40.800 -0.227 0.000 0.947 76 D HN 0.251 nan 8.370 nan 0.000 0.509 77 A N 0.174 122.883 122.820 -0.185 0.000 2.251 77 A HA 0.145 4.465 4.320 -0.001 0.000 0.209 77 A C 0.891 178.489 177.584 0.023 0.000 1.187 77 A CA -0.087 51.956 52.037 0.010 0.000 0.823 77 A CB -0.149 18.831 19.000 -0.034 0.000 0.846 77 A HN 0.097 nan 8.150 nan 0.000 0.486 78 L N 1.118 122.341 121.223 0.000 0.000 2.360 78 L HA 0.199 4.539 4.340 -0.001 0.000 0.276 78 L C -1.062 175.852 176.870 0.073 0.000 1.121 78 L CA -1.125 53.739 54.840 0.039 0.000 0.845 78 L CB 0.852 42.924 42.059 0.021 0.000 1.143 78 L HN 0.129 nan 8.230 nan 0.000 0.452 79 P HA -0.026 nan 4.420 nan 0.000 0.231 79 P C -0.077 177.263 177.300 0.067 0.000 1.168 79 P CA 0.643 63.801 63.100 0.096 0.000 0.779 79 P CB 0.571 32.343 31.700 0.120 0.000 0.844 80 L N 1.096 122.354 121.223 0.059 0.000 2.305 80 L HA 0.411 4.751 4.340 -0.001 0.000 0.284 80 L C 0.445 177.326 176.870 0.018 0.000 1.013 80 L CA -0.268 54.592 54.840 0.033 0.000 0.819 80 L CB 1.041 43.114 42.059 0.023 0.000 1.227 80 L HN -0.046 nan 8.230 nan 0.000 0.417 81 T N -0.115 114.447 114.554 0.014 0.000 2.906 81 T HA 0.982 5.332 4.350 -0.001 0.000 0.295 81 T C -0.125 174.577 174.700 0.003 0.000 1.075 81 T CA -0.533 61.567 62.100 -0.000 0.000 1.005 81 T CB 2.621 71.495 68.868 0.010 0.000 1.136 81 T HN 0.741 nan 8.240 nan 0.000 0.498 82 G N 0.165 108.959 108.800 -0.009 0.000 2.706 82 G HA2 0.603 4.563 3.960 -0.001 0.000 0.307 82 G HA3 0.603 4.563 3.960 -0.001 0.000 0.307 82 G C -2.152 172.754 174.900 0.010 0.000 1.307 82 G CA -0.887 44.219 45.100 0.011 0.000 0.790 82 G HN 0.747 nan 8.290 nan 0.000 0.503 83 Q N -0.616 119.216 119.800 0.053 0.000 2.372 83 Q HA 0.639 4.978 4.340 -0.001 0.000 0.273 83 Q C -1.427 174.693 176.000 0.200 0.000 1.078 83 Q CA -0.781 55.080 55.803 0.096 0.000 0.806 83 Q CB 2.554 31.351 28.738 0.098 0.000 1.332 83 Q HN 0.727 nan 8.270 nan 0.000 0.435 84 Y N -1.622 118.730 120.300 0.086 0.000 2.545 84 Y HA 0.825 5.375 4.550 -0.001 0.000 0.348 84 Y C -0.670 175.289 175.900 0.099 0.000 1.002 84 Y CA -1.911 56.247 58.100 0.096 0.000 1.039 84 Y CB 0.451 38.974 38.460 0.104 0.000 1.271 84 Y HN 0.573 nan 8.280 nan 0.000 0.467 85 T N -0.095 114.500 114.554 0.069 0.000 2.909 85 T HA 0.460 4.810 4.350 -0.001 0.000 0.286 85 T C -0.472 174.042 174.700 -0.309 0.000 1.002 85 T CA -0.213 61.818 62.100 -0.115 0.000 1.074 85 T CB 0.685 69.590 68.868 0.062 0.000 0.984 85 T HN 0.943 nan 8.240 nan 0.000 0.495 86 H N -0.871 118.148 119.070 -0.086 0.000 2.665 86 H HA 0.309 4.865 4.556 -0.001 0.000 0.248 86 H C -0.292 174.961 175.328 -0.125 0.000 1.175 86 H CA -1.205 54.728 56.048 -0.191 0.000 0.952 86 H CB -1.294 28.407 29.762 -0.101 0.000 1.883 86 H HN 0.721 nan 8.280 nan 0.000 0.623 87 Y N 0.560 120.835 120.300 -0.043 0.000 2.578 87 Y HA 0.520 5.069 4.550 -0.001 0.000 0.339 87 Y C 0.412 176.305 175.900 -0.011 0.000 1.231 87 Y CA -0.796 57.306 58.100 0.004 0.000 1.461 87 Y CB 0.418 38.862 38.460 -0.026 0.000 1.323 87 Y HN 0.309 nan 8.280 nan 0.000 0.590 88 A N 3.874 126.754 122.820 0.100 0.000 2.420 88 A HA 0.833 5.153 4.320 -0.001 0.000 0.291 88 A C -0.912 176.711 177.584 0.065 0.000 1.228 88 A CA -1.154 50.891 52.037 0.013 0.000 0.933 88 A CB 0.625 19.631 19.000 0.010 0.000 1.428 88 A HN 0.822 nan 8.150 nan 0.000 0.493 89 L N 0.521 121.761 121.223 0.029 0.000 2.354 89 L HA 0.377 4.717 4.340 -0.001 0.000 0.269 89 L C -0.014 176.869 176.870 0.021 0.000 1.005 89 L CA -0.931 53.923 54.840 0.023 0.000 0.819 89 L CB 1.603 43.674 42.059 0.020 0.000 1.311 89 L HN 0.788 nan 8.230 nan 0.000 0.423 90 N N 2.103 120.792 118.700 -0.017 0.000 2.470 90 N HA 0.006 4.745 4.740 -0.001 0.000 0.268 90 N C 0.565 176.061 175.510 -0.022 0.000 1.136 90 N CA 0.175 53.215 53.050 -0.016 0.000 0.961 90 N CB 1.493 39.956 38.487 -0.040 0.000 1.067 90 N HN 0.664 nan 8.380 nan 0.000 0.468 91 K N 4.116 124.493 120.400 -0.038 0.000 2.032 91 K HA -0.162 4.157 4.320 -0.001 0.000 0.209 91 K C 1.338 177.856 176.600 -0.136 0.000 1.048 91 K CA 1.434 57.631 56.287 -0.150 0.000 0.927 91 K CB 0.181 32.431 32.500 -0.417 0.000 0.712 91 K HN 0.551 nan 8.250 nan 0.000 0.441 92 K N -0.445 119.893 120.400 -0.103 0.000 1.984 92 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 92 K C 2.297 178.871 176.600 -0.044 0.000 1.046 92 K CA 1.991 58.235 56.287 -0.071 0.000 0.934 92 K CB -0.399 32.067 32.500 -0.056 0.000 0.717 92 K HN 0.391 nan 8.250 nan 0.000 0.438 93 T N -2.613 111.919 114.554 -0.037 0.000 3.054 93 T HA 0.128 4.478 4.350 -0.001 0.000 0.259 93 T C 1.544 176.231 174.700 -0.022 0.000 1.092 93 T CA 0.774 62.860 62.100 -0.023 0.000 1.121 93 T CB 0.144 68.999 68.868 -0.022 0.000 0.912 93 T HN 0.438 nan 8.240 nan 0.000 0.489 94 G N 1.326 110.106 108.800 -0.033 0.000 2.162 94 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 94 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 94 G C 0.038 174.924 174.900 -0.023 0.000 0.976 94 G CA 0.463 45.546 45.100 -0.029 0.000 0.655 94 G HN 0.697 nan 8.290 nan 0.000 0.533 95 K N 0.597 120.975 120.400 -0.038 0.000 2.090 95 K HA 0.486 4.805 4.320 -0.001 0.000 0.250 95 K C -2.354 174.177 176.600 -0.116 0.000 1.004 95 K CA -1.991 54.259 56.287 -0.062 0.000 0.919 95 K CB 0.771 33.236 32.500 -0.059 0.000 1.045 95 K HN -0.026 nan 8.250 nan 0.000 0.471 96 P HA -0.036 nan 4.420 nan 0.000 0.268 96 P C -1.205 175.765 177.300 -0.551 0.000 1.205 96 P CA 0.144 63.029 63.100 -0.359 0.000 0.771 96 P CB 0.476 31.792 31.700 -0.640 0.000 0.858 97 D N 2.119 122.313 120.400 -0.343 0.000 2.441 97 D HA 0.117 4.756 4.640 -0.001 0.000 0.231 97 D C 0.313 176.471 176.300 -0.235 0.000 1.073 97 D CA -0.533 53.297 54.000 -0.285 0.000 0.850 97 D CB 0.367 41.120 40.800 -0.078 0.000 1.062 97 D HN 0.238 nan 8.370 nan 0.000 0.524 98 Y N 1.728 122.073 120.300 0.075 0.000 2.384 98 Y HA -0.053 4.497 4.550 -0.000 0.000 0.289 98 Y C 1.022 177.001 175.900 0.130 0.000 1.152 98 Y CA 0.488 58.642 58.100 0.089 0.000 1.258 98 Y CB -0.009 38.472 38.460 0.036 0.000 0.979 98 Y HN 0.162 nan 8.280 nan 0.000 0.549 99 V N 0.321 120.359 119.914 0.207 0.000 2.349 99 V HA 0.211 4.331 4.120 -0.001 0.000 0.284 99 V C 0.229 176.404 176.094 0.136 0.000 1.014 99 V CA -1.031 61.384 62.300 0.191 0.000 0.826 99 V CB 1.242 33.154 31.823 0.149 0.000 1.009 99 V HN 0.038 nan 8.190 nan 0.000 0.431 100 T N 3.464 118.121 114.554 0.172 0.000 2.882 100 T HA 0.295 4.645 4.350 -0.001 0.000 0.287 100 T C -0.139 174.610 174.700 0.082 0.000 1.014 100 T CA -0.404 61.764 62.100 0.113 0.000 1.049 100 T CB 0.848 69.807 68.868 0.151 0.000 1.001 100 T HN 0.938 nan 8.240 nan 0.000 0.525 104 A N 1.168 123.891 122.820 -0.162 0.000 1.969 104 A HA 0.051 4.371 4.320 -0.001 0.000 0.218 104 A C 2.338 179.800 177.584 -0.202 0.000 1.169 104 A CA 2.659 54.577 52.037 -0.199 0.000 0.635 104 A CB -0.809 18.100 19.000 -0.152 0.000 0.810 104 A HN 1.409 nan 8.150 nan 0.000 0.445 105 S N 0.194 115.813 115.700 -0.136 0.000 2.371 105 S HA 0.104 4.574 4.470 -0.001 0.000 0.224 105 S C 2.141 176.435 174.600 -0.510 0.000 1.029 105 S CA 1.066 59.196 58.200 -0.117 0.000 0.978 105 S CB -0.717 62.557 63.200 0.123 0.000 0.833 105 S HN 0.821 nan 8.310 nan 0.000 0.466 106 A N 1.857 124.186 122.820 -0.818 0.000 1.933 106 A HA -0.025 4.294 4.320 -0.001 0.000 0.218 106 A C 2.380 179.267 177.584 -1.161 0.000 1.175 106 A CA 2.010 53.033 52.037 -1.690 0.000 0.628 106 A CB -1.622 16.863 19.000 -0.858 0.000 0.814 106 A HN 0.539 nan 8.150 nan 0.000 0.444 107 T N 0.251 114.427 114.554 -0.630 0.000 2.788 107 T HA -0.021 4.329 4.350 -0.001 0.000 0.268 107 T C 2.212 176.659 174.700 -0.422 0.000 1.044 107 T CA 1.494 63.323 62.100 -0.451 0.000 1.139 107 T CB -0.410 68.260 68.868 -0.329 0.000 0.867 107 T HN 0.601 nan 8.240 nan 0.000 0.454 108 A N 1.377 123.973 122.820 -0.374 0.000 1.902 108 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 108 A C 2.137 179.659 177.584 -0.104 0.000 1.181 108 A CA 1.842 53.741 52.037 -0.231 0.000 0.623 108 A CB -1.013 17.889 19.000 -0.163 0.000 0.818 108 A HN 0.869 nan 8.150 nan 0.000 0.443 109 W N 0.704 122.007 121.300 0.005 0.000 2.658 109 W HA 0.098 4.757 4.660 -0.001 0.000 0.263 109 W C 1.714 178.320 176.519 0.145 0.000 1.274 109 W CA 1.069 58.477 57.345 0.106 0.000 1.343 109 W CB -0.867 28.684 29.460 0.153 0.000 1.106 109 W HN 0.309 nan 8.180 nan 0.000 0.615 110 S N -0.406 115.143 115.700 -0.252 0.000 2.524 110 S HA 0.018 4.488 4.470 -0.001 0.000 0.216 110 S C 1.482 176.061 174.600 -0.034 0.000 0.987 110 S CA 0.937 59.123 58.200 -0.024 0.000 0.909 110 S CB -0.808 62.277 63.200 -0.191 0.000 0.781 110 S HN 0.389 nan 8.310 nan 0.000 0.521 111 T N -3.914 110.423 114.554 -0.360 0.000 2.964 111 T HA 0.533 4.883 4.350 -0.001 0.000 0.250 111 T C 1.559 175.348 174.700 -1.518 0.000 0.982 111 T CA 0.728 62.370 62.100 -0.763 0.000 0.959 111 T CB 0.066 68.674 68.868 -0.433 0.000 1.141 111 T HN 1.165 nan 8.240 nan 0.000 0.494 112 G N 0.704 108.914 108.800 -0.983 0.000 2.141 112 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.231 112 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.231 112 G C -0.036 174.708 174.900 -0.260 0.000 0.984 112 G CA 0.041 44.753 45.100 -0.647 0.000 0.660 112 G HN 1.126 nan 8.290 nan 0.000 0.525 113 V N 0.547 120.249 119.914 -0.353 0.000 2.709 113 V HA 0.696 4.816 4.120 -0.001 0.000 0.308 113 V C -0.083 175.869 176.094 -0.236 0.000 1.062 113 V CA -1.277 60.850 62.300 -0.287 0.000 0.901 113 V CB 1.736 33.264 31.823 -0.492 0.000 1.003 113 V HN 0.181 nan 8.190 nan 0.000 0.425 114 K N 2.707 123.002 120.400 -0.175 0.000 2.258 114 K HA 0.492 4.812 4.320 -0.001 0.000 0.264 114 K C -0.096 176.417 176.600 -0.145 0.000 1.007 114 K CA 0.072 56.261 56.287 -0.164 0.000 0.941 114 K CB 1.426 33.851 32.500 -0.124 0.000 0.966 114 K HN 0.869 nan 8.250 nan 0.000 0.480 115 T N 0.153 114.625 114.554 -0.137 0.000 2.671 115 T HA 0.438 4.787 4.350 -0.001 0.000 0.300 115 T C -1.463 173.187 174.700 -0.083 0.000 1.238 115 T CA -0.742 61.287 62.100 -0.119 0.000 1.020 115 T CB 0.346 69.080 68.868 -0.224 0.000 1.503 115 T HN 0.404 nan 8.240 nan 0.000 0.497 116 Y N 0.781 121.035 120.300 -0.077 0.000 2.316 116 Y HA 0.680 5.230 4.550 -0.001 0.000 0.324 116 Y C 0.474 176.345 175.900 -0.049 0.000 1.267 116 Y CA -1.392 56.672 58.100 -0.060 0.000 1.311 116 Y CB -0.006 38.419 38.460 -0.057 0.000 1.267 116 Y HN 0.349 nan 8.280 nan 0.000 0.516 117 N N 0.933 119.669 118.700 0.059 0.000 2.454 117 N HA 0.295 5.035 4.740 -0.001 0.000 0.260 117 N C 1.023 176.519 175.510 -0.024 0.000 1.218 117 N CA 1.321 54.363 53.050 -0.013 0.000 0.904 117 N CB 0.887 39.389 38.487 0.024 0.000 1.065 117 N HN 1.097 nan 8.380 nan 0.000 0.462 118 G N 0.003 108.737 108.800 -0.111 0.000 2.232 118 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.226 118 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.226 118 G C 0.185 174.963 174.900 -0.204 0.000 0.996 118 G CA 0.113 45.163 45.100 -0.083 0.000 0.626 118 G HN 0.888 nan 8.290 nan 0.000 0.509 119 A N 0.266 122.764 122.820 -0.536 0.000 2.340 119 A HA 0.789 5.108 4.320 -0.001 0.000 0.268 119 A C -0.008 177.381 177.584 -0.325 0.000 1.100 119 A CA 0.031 51.718 52.037 -0.584 0.000 0.803 119 A CB 0.615 18.876 19.000 -1.232 0.000 1.043 119 A HN 0.865 nan 8.150 nan 0.000 0.488 120 L N 1.944 123.044 121.223 -0.206 0.000 2.372 120 L HA 0.535 4.875 4.340 -0.001 0.000 0.273 120 L C 1.071 177.851 176.870 -0.150 0.000 0.989 120 L CA 0.216 54.946 54.840 -0.183 0.000 0.841 120 L CB 1.638 43.611 42.059 -0.143 0.000 1.225 120 L HN 1.231 nan 8.230 nan 0.000 0.414 121 G N 2.836 111.533 108.800 -0.170 0.000 2.153 121 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.252 121 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.252 121 G C -0.127 174.878 174.900 0.176 0.000 0.994 121 G CA 0.407 45.474 45.100 -0.055 0.000 0.698 121 G HN 0.684 nan 8.290 nan 0.000 0.521 122 V N -2.990 116.964 119.914 0.066 0.000 3.130 122 V HA 0.907 5.027 4.120 -0.001 0.000 0.310 122 V C 0.007 176.155 176.094 0.091 0.000 1.158 122 V CA -0.469 61.913 62.300 0.138 0.000 1.029 122 V CB 2.157 34.055 31.823 0.125 0.000 1.057 122 V HN 0.393 nan 8.190 nan 0.000 0.436 123 D N 1.503 122.012 120.400 0.181 0.000 2.539 123 D HA 0.330 4.970 4.640 -0.001 0.000 0.280 123 D C 1.288 177.668 176.300 0.134 0.000 1.208 123 D CA -0.250 53.806 54.000 0.093 0.000 1.088 123 D CB 0.647 41.515 40.800 0.114 0.000 1.149 123 D HN 0.792 nan 8.370 nan 0.000 0.596 124 I N -2.926 117.639 120.570 -0.008 0.000 2.916 124 I HA -0.075 4.094 4.170 -0.001 0.000 0.267 124 I C 0.810 176.829 176.117 -0.164 0.000 1.263 124 I CA 0.802 62.080 61.300 -0.037 0.000 1.471 124 I CB -0.546 37.333 38.000 -0.202 0.000 1.089 124 I HN 0.209 nan 8.210 nan 0.000 0.468 125 H N 2.021 121.152 119.070 0.101 0.000 2.526 125 H HA 0.218 4.774 4.556 -0.001 0.000 0.274 125 H C 0.205 175.572 175.328 0.065 0.000 0.999 125 H CA 0.271 56.352 56.048 0.056 0.000 1.157 125 H CB -0.099 29.692 29.762 0.048 0.000 1.407 125 H HN 0.543 nan 8.280 nan 0.000 0.568 126 E N 0.163 120.476 120.200 0.189 0.000 3.170 126 E HA -0.212 4.138 4.350 -0.001 0.000 0.284 126 E C 0.393 177.064 176.600 0.118 0.000 0.967 126 E CA 0.440 56.940 56.400 0.168 0.000 0.919 126 E CB -1.033 28.742 29.700 0.124 0.000 1.469 126 E HN 0.393 nan 8.360 nan 0.000 0.444 127 K N 1.882 122.357 120.400 0.126 0.000 2.249 127 K HA 0.113 4.433 4.320 -0.001 0.000 0.280 127 K C -0.340 176.241 176.600 -0.031 0.000 1.033 127 K CA -0.450 55.847 56.287 0.017 0.000 0.946 127 K CB 0.703 33.196 32.500 -0.013 0.000 1.005 127 K HN -0.147 nan 8.250 nan 0.000 0.469 128 D N 2.992 123.312 120.400 -0.132 0.000 2.389 128 D HA 0.107 4.747 4.640 -0.001 0.000 0.247 128 D C -0.343 175.769 176.300 -0.313 0.000 1.128 128 D CA 0.432 54.333 54.000 -0.165 0.000 0.884 128 D CB 0.486 41.087 40.800 -0.331 0.000 1.194 128 D HN 0.418 nan 8.370 nan 0.000 0.441 129 H N 1.812 120.863 119.070 -0.031 0.000 2.589 129 H HA 0.276 4.831 4.556 -0.001 0.000 0.351 129 H C -2.177 173.168 175.328 0.028 0.000 1.074 129 H CA -1.649 54.375 56.048 -0.041 0.000 1.203 129 H CB 2.080 31.794 29.762 -0.081 0.000 1.558 129 H HN 0.191 nan 8.280 nan 0.000 0.522 130 P HA -0.052 nan 4.420 nan 0.000 0.266 130 P C 0.320 177.698 177.300 0.131 0.000 1.195 130 P CA -0.030 63.144 63.100 0.123 0.000 0.768 130 P CB 0.810 32.553 31.700 0.072 0.000 0.838 131 T N -0.386 114.247 114.554 0.131 0.000 2.881 131 T HA 0.196 4.546 4.350 -0.001 0.000 0.278 131 T C 1.255 175.997 174.700 0.071 0.000 0.982 131 T CA -0.688 61.454 62.100 0.070 0.000 0.989 131 T CB 0.580 69.437 68.868 -0.017 0.000 1.058 131 T HN 0.178 nan 8.240 nan 0.000 0.529 132 I N 0.909 121.502 120.570 0.038 0.000 2.361 132 I HA -0.014 4.156 4.170 -0.001 0.000 0.251 132 I C 2.024 177.900 176.117 -0.402 0.000 1.133 132 I CA 1.119 62.295 61.300 -0.206 0.000 1.413 132 I CB -0.662 37.123 38.000 -0.357 0.000 1.073 132 I HN 0.790 nan 8.210 nan 0.000 0.424 133 L N 0.026 121.033 121.223 -0.359 0.000 2.027 133 L HA -0.193 4.146 4.340 -0.001 0.000 0.206 133 L C 2.393 179.218 176.870 -0.074 0.000 1.074 133 L CA 1.593 56.292 54.840 -0.235 0.000 0.745 133 L CB -0.485 41.545 42.059 -0.049 0.000 0.898 133 L HN 0.236 nan 8.230 nan 0.000 0.433 134 E N -0.398 119.787 120.200 -0.025 0.000 2.077 134 E HA -0.272 4.078 4.350 -0.001 0.000 0.193 134 E C 2.172 178.775 176.600 0.005 0.000 0.989 134 E CA 1.844 58.255 56.400 0.019 0.000 0.800 134 E CB -0.202 29.536 29.700 0.063 0.000 0.746 134 E HN 0.558 nan 8.360 nan 0.000 0.452 135 M N 0.294 119.886 119.600 -0.014 0.000 2.175 135 M HA -0.099 4.380 4.480 -0.001 0.000 0.264 135 M C 2.459 178.737 176.300 -0.038 0.000 1.063 135 M CA 1.281 56.569 55.300 -0.019 0.000 1.119 135 M CB -0.131 32.455 32.600 -0.023 0.000 1.377 135 M HN 0.127 nan 8.290 nan 0.000 0.415 136 A N 0.696 123.474 122.820 -0.069 0.000 1.877 136 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 136 A C 2.140 179.733 177.584 0.015 0.000 1.186 136 A CA 2.029 54.048 52.037 -0.031 0.000 0.620 136 A CB -0.663 18.327 19.000 -0.017 0.000 0.822 136 A HN 0.458 nan 8.150 nan 0.000 0.443 137 K N -0.232 120.181 120.400 0.022 0.000 2.147 137 K HA -0.061 4.259 4.320 -0.001 0.000 0.205 137 K C 1.972 178.587 176.600 0.026 0.000 1.049 137 K CA 1.250 57.559 56.287 0.037 0.000 0.936 137 K CB -0.314 32.210 32.500 0.040 0.000 0.722 137 K HN 0.354 nan 8.250 nan 0.000 0.446 138 A N 0.594 123.425 122.820 0.017 0.000 2.015 138 A HA 0.024 4.344 4.320 -0.001 0.000 0.219 138 A C 2.086 179.677 177.584 0.013 0.000 1.163 138 A CA 1.448 53.494 52.037 0.015 0.000 0.646 138 A CB -0.442 18.566 19.000 0.013 0.000 0.806 138 A HN 0.438 nan 8.150 nan 0.000 0.448 139 A N -1.876 120.950 122.820 0.010 0.000 2.251 139 A HA 0.432 4.752 4.320 -0.001 0.000 0.209 139 A C 1.663 179.258 177.584 0.018 0.000 1.187 139 A CA 1.102 53.145 52.037 0.009 0.000 0.823 139 A CB -0.777 18.223 19.000 0.001 0.000 0.846 139 A HN 1.792 nan 8.150 nan 0.000 0.486 140 G N -1.257 107.558 108.800 0.025 0.000 2.157 140 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.239 140 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.239 140 G C 0.073 175.001 174.900 0.047 0.000 0.982 140 G CA 0.177 45.296 45.100 0.031 0.000 0.650 140 G HN 0.373 nan 8.290 nan 0.000 0.527 141 L N 0.608 121.867 121.223 0.059 0.000 2.418 141 L HA 0.670 5.010 4.340 -0.001 0.000 0.265 141 L C 1.227 178.167 176.870 0.117 0.000 1.143 141 L CA -0.177 54.719 54.840 0.095 0.000 0.809 141 L CB 1.097 43.219 42.059 0.105 0.000 1.124 141 L HN 0.325 nan 8.230 nan 0.000 0.456 142 A N 1.505 124.420 122.820 0.158 0.000 2.332 142 A HA 0.609 4.929 4.320 -0.001 0.000 0.258 142 A C 0.096 177.801 177.584 0.203 0.000 1.087 142 A CA -0.133 51.989 52.037 0.141 0.000 0.802 142 A CB 0.518 19.588 19.000 0.117 0.000 1.042 142 A HN 0.787 nan 8.150 nan 0.000 0.489 143 T N -1.599 113.048 114.554 0.155 0.000 2.916 143 T HA 0.756 5.105 4.350 -0.001 0.000 0.305 143 T C -0.339 174.444 174.700 0.139 0.000 1.119 143 T CA -0.054 62.179 62.100 0.221 0.000 1.008 143 T CB 1.767 70.757 68.868 0.203 0.000 1.129 143 T HN 1.712 nan 8.240 nan 0.000 0.480 144 G N 0.667 109.561 108.800 0.157 0.000 2.706 144 G HA2 0.588 4.547 3.960 -0.001 0.000 0.297 144 G HA3 0.588 4.547 3.960 -0.001 0.000 0.297 144 G C -1.849 173.111 174.900 0.101 0.000 1.403 144 G CA -0.809 44.330 45.100 0.066 0.000 0.954 144 G HN 0.795 nan 8.290 nan 0.000 0.500 145 N N 0.546 119.293 118.700 0.078 0.000 2.558 145 N HA 0.500 5.239 4.740 -0.001 0.000 0.285 145 N C -1.350 174.192 175.510 0.054 0.000 1.112 145 N CA -0.261 52.844 53.050 0.093 0.000 0.857 145 N CB 2.003 40.557 38.487 0.113 0.000 1.376 145 N HN 0.301 nan 8.380 nan 0.000 0.526 146 V N 1.432 121.367 119.914 0.035 0.000 2.604 146 V HA 0.805 4.925 4.120 -0.001 0.000 0.305 146 V C -0.183 175.927 176.094 0.028 0.000 1.043 146 V CA -0.577 61.738 62.300 0.025 0.000 0.888 146 V CB 1.589 33.406 31.823 -0.009 0.000 0.995 146 V HN 0.687 nan 8.190 nan 0.000 0.429 147 S N 1.628 117.350 115.700 0.037 0.000 2.565 147 S HA 0.437 4.907 4.470 -0.001 0.000 0.269 147 S C 0.528 175.149 174.600 0.035 0.000 1.153 147 S CA 0.236 58.454 58.200 0.031 0.000 0.835 147 S CB 2.164 65.390 63.200 0.045 0.000 1.122 147 S HN 0.984 nan 8.310 nan 0.000 0.462 148 T N 0.405 114.970 114.554 0.020 0.000 3.107 148 T HA 0.555 4.905 4.350 -0.001 0.000 0.249 148 T C 0.838 175.562 174.700 0.039 0.000 1.096 148 T CA 0.431 62.545 62.100 0.022 0.000 1.012 148 T CB -0.034 68.828 68.868 -0.009 0.000 0.977 148 T HN 0.837 nan 8.240 nan 0.000 0.527 149 A N 1.412 124.259 122.820 0.044 0.000 2.257 149 A HA 0.540 4.859 4.320 -0.001 0.000 0.290 149 A C 0.047 177.661 177.584 0.049 0.000 1.201 149 A CA -0.810 51.260 52.037 0.054 0.000 0.863 149 A CB 0.306 19.343 19.000 0.063 0.000 1.256 149 A HN 0.498 nan 8.150 nan 0.000 0.506 150 E N -0.334 119.895 120.200 0.049 0.000 2.384 150 E HA 0.131 4.481 4.350 -0.001 0.000 0.266 150 E C 0.355 176.939 176.600 -0.027 0.000 1.012 150 E CA -0.110 56.305 56.400 0.024 0.000 0.901 150 E CB 0.490 30.208 29.700 0.030 0.000 0.967 150 E HN 0.508 nan 8.360 nan 0.000 0.435 151 L N 2.690 123.902 121.223 -0.018 0.000 2.450 151 L HA -0.220 4.120 4.340 -0.001 0.000 0.224 151 L C 1.682 178.474 176.870 -0.129 0.000 1.149 151 L CA 0.969 55.791 54.840 -0.030 0.000 0.816 151 L CB -0.228 41.848 42.059 0.028 0.000 0.932 151 L HN 0.523 nan 8.230 nan 0.000 0.449 152 Q N -0.968 118.657 119.800 -0.292 0.000 2.425 152 Q HA 0.005 4.345 4.340 -0.001 0.000 0.204 152 Q C 0.419 176.071 176.000 -0.579 0.000 0.933 152 Q CA 0.131 55.576 55.803 -0.597 0.000 0.939 152 Q CB -0.064 27.947 28.738 -1.211 0.000 1.044 152 Q HN 0.272 nan 8.270 nan 0.000 0.513 153 D N -0.614 119.612 120.400 -0.291 0.000 2.378 153 D HA 0.099 4.739 4.640 -0.001 0.000 0.238 153 D C 0.958 177.243 176.300 -0.024 0.000 1.180 153 D CA 0.575 54.538 54.000 -0.062 0.000 0.895 153 D CB 0.811 41.635 40.800 0.039 0.000 1.192 153 D HN 0.135 nan 8.370 nan 0.000 0.438 154 A N 1.887 124.733 122.820 0.042 0.000 1.927 154 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 154 A C 2.106 179.687 177.584 -0.005 0.000 1.185 154 A CA 2.509 54.554 52.037 0.013 0.000 0.639 154 A CB -0.977 18.047 19.000 0.040 0.000 0.820 154 A HN 0.702 nan 8.150 nan 0.000 0.451 155 T N 0.161 114.750 114.554 0.058 0.000 2.701 155 T HA -0.060 4.290 4.350 -0.001 0.000 0.263 155 T C -0.194 174.568 174.700 0.103 0.000 1.040 155 T CA 1.580 63.749 62.100 0.116 0.000 1.147 155 T CB -1.073 67.919 68.868 0.207 0.000 0.865 155 T HN 0.540 nan 8.240 nan 0.000 0.426 156 P HA 0.222 nan 4.420 nan 0.000 0.224 156 P C 1.378 178.683 177.300 0.008 0.000 1.157 156 P CA 0.824 63.962 63.100 0.063 0.000 0.799 156 P CB -0.107 31.621 31.700 0.046 0.000 0.809 157 A N 1.118 123.913 122.820 -0.042 0.000 1.930 157 A HA -0.003 4.316 4.320 -0.001 0.000 0.217 157 A C 2.453 179.964 177.584 -0.120 0.000 1.175 157 A CA 1.797 53.780 52.037 -0.090 0.000 0.627 157 A CB -1.542 17.385 19.000 -0.123 0.000 0.815 157 A HN 0.196 nan 8.150 nan 0.000 0.443 158 A N -0.324 122.416 122.820 -0.132 0.000 2.084 158 A HA -0.066 4.254 4.320 -0.001 0.000 0.221 158 A C 1.991 179.452 177.584 -0.205 0.000 1.161 158 A CA 1.485 53.397 52.037 -0.208 0.000 0.653 158 A CB -0.552 18.284 19.000 -0.274 0.000 0.802 158 A HN 0.507 nan 8.150 nan 0.000 0.457 159 L N -0.895 120.268 121.223 -0.100 0.000 2.418 159 L HA -0.016 4.323 4.340 -0.001 0.000 0.218 159 L C 1.773 178.593 176.870 -0.083 0.000 1.125 159 L CA 0.991 55.799 54.840 -0.053 0.000 0.835 159 L CB 0.149 42.252 42.059 0.074 0.000 0.953 159 L HN 0.438 nan 8.230 nan 0.000 0.454 160 V N -5.380 114.464 119.914 -0.116 0.000 3.382 160 V HA 0.581 4.701 4.120 -0.001 0.000 0.296 160 V C 0.387 176.393 176.094 -0.147 0.000 1.529 160 V CA -0.047 62.201 62.300 -0.086 0.000 1.048 160 V CB 0.185 31.998 31.823 -0.016 0.000 0.878 160 V HN 0.071 nan 8.190 nan 0.000 0.442 161 A N 0.142 122.788 122.820 -0.290 0.000 2.454 161 A HA 0.887 5.207 4.320 -0.001 0.000 0.302 161 A C -1.019 176.281 177.584 -0.472 0.000 1.079 161 A CA -0.519 51.370 52.037 -0.246 0.000 0.731 161 A CB 1.210 20.135 19.000 -0.126 0.000 1.299 161 A HN 0.539 nan 8.150 nan 0.000 0.413 162 H N 1.114 120.166 119.070 -0.030 0.000 3.036 162 H HA 0.483 5.039 4.556 -0.001 0.000 0.295 162 H C -0.981 174.339 175.328 -0.015 0.000 1.124 162 H CA -0.313 55.719 56.048 -0.028 0.000 1.507 162 H CB 1.109 30.858 29.762 -0.020 0.000 1.591 162 H HN 0.725 nan 8.280 nan 0.000 0.510 163 V N -0.187 119.765 119.914 0.064 0.000 3.078 163 V HA 0.421 4.540 4.120 -0.001 0.000 0.311 163 V C 1.146 177.273 176.094 0.055 0.000 1.138 163 V CA -0.775 61.558 62.300 0.055 0.000 1.007 163 V CB 1.884 33.728 31.823 0.034 0.000 1.045 163 V HN 0.647 nan 8.190 nan 0.000 0.432 164 T N -1.803 112.802 114.554 0.084 0.000 3.088 164 T HA 0.193 4.543 4.350 -0.001 0.000 0.259 164 T C 0.754 175.542 174.700 0.147 0.000 1.122 164 T CA 0.874 63.065 62.100 0.152 0.000 1.095 164 T CB -0.103 68.859 68.868 0.156 0.000 0.930 164 T HN 1.141 nan 8.240 nan 0.000 0.508 165 S N 0.736 116.483 115.700 0.078 0.000 2.575 165 S HA 0.379 4.849 4.470 -0.001 0.000 0.278 165 S C 0.926 175.552 174.600 0.042 0.000 1.139 165 S CA -1.076 57.161 58.200 0.063 0.000 0.954 165 S CB 1.386 64.623 63.200 0.063 0.000 1.054 165 S HN 0.461 nan 8.310 nan 0.000 0.483 166 R N 3.358 123.876 120.500 0.031 0.000 2.241 166 R HA 0.041 4.381 4.340 -0.001 0.000 0.224 166 R C 1.074 177.466 176.300 0.154 0.000 1.101 166 R CA 0.989 57.128 56.100 0.066 0.000 0.995 166 R CB -0.349 29.981 30.300 0.050 0.000 0.870 166 R HN 0.485 nan 8.270 nan 0.000 0.463 167 K N 0.534 120.980 120.400 0.076 0.000 2.439 167 K HA 0.033 4.353 4.320 -0.001 0.000 0.197 167 K C 0.304 176.942 176.600 0.063 0.000 1.041 167 K CA 0.524 56.813 56.287 0.004 0.000 0.970 167 K CB 0.129 32.595 32.500 -0.056 0.000 0.773 167 K HN 0.159 nan 8.250 nan 0.000 0.479 168 c N 2.495 121.168 118.600 0.123 0.000 3.424 168 c HA 0.098 4.668 4.570 -0.001 0.000 0.577 168 c C 1.367 175.568 174.090 0.185 0.000 1.086 168 c CA -0.826 55.569 56.329 0.111 0.000 1.153 168 c CB -2.329 40.218 42.510 0.062 0.000 1.411 168 c HN 0.346 nan 8.230 nan 0.000 0.636 169 Y N 1.786 122.059 120.300 -0.045 0.000 2.070 169 Y HA 0.050 4.600 4.550 -0.001 0.000 0.280 169 Y C 1.905 177.746 175.900 -0.097 0.000 1.148 169 Y CA 1.807 59.869 58.100 -0.065 0.000 1.125 169 Y CB -0.724 37.705 38.460 -0.052 0.000 0.975 169 Y HN 0.527 nan 8.280 nan 0.000 0.492 170 G N -3.104 105.753 108.800 0.095 0.000 3.176 170 G HA2 0.370 4.330 3.960 -0.001 0.000 0.272 170 G HA3 0.370 4.330 3.960 -0.001 0.000 0.272 170 G C -2.141 172.756 174.900 -0.004 0.000 1.349 170 G CA -0.995 44.097 45.100 -0.014 0.000 0.953 170 G HN -0.198 nan 8.290 nan 0.000 0.559 171 P HA -0.170 nan 4.420 nan 0.000 0.215 171 P C 2.280 179.580 177.300 0.001 0.000 1.163 171 P CA 2.818 65.914 63.100 -0.006 0.000 0.894 171 P CB 0.055 31.751 31.700 -0.006 0.000 0.791 172 S N -0.436 115.265 115.700 0.000 0.000 2.368 172 S HA -0.115 4.354 4.470 -0.001 0.000 0.225 172 S C 2.144 176.742 174.600 -0.004 0.000 1.030 172 S CA 1.278 59.477 58.200 -0.002 0.000 0.999 172 S CB -1.507 61.691 63.200 -0.004 0.000 0.844 172 S HN 0.147 nan 8.310 nan 0.000 0.459 173 A N 1.637 124.455 122.820 -0.003 0.000 2.014 173 A HA 0.049 4.368 4.320 -0.001 0.000 0.218 173 A C 2.300 179.885 177.584 0.002 0.000 1.163 173 A CA 1.586 53.616 52.037 -0.011 0.000 0.652 173 A CB -1.205 17.780 19.000 -0.026 0.000 0.808 173 A HN 0.519 nan 8.150 nan 0.000 0.449 174 T N -0.047 114.515 114.554 0.012 0.000 2.812 174 T HA -0.084 4.265 4.350 -0.001 0.000 0.264 174 T C 2.223 176.929 174.700 0.010 0.000 1.042 174 T CA 1.545 63.655 62.100 0.016 0.000 1.140 174 T CB -0.265 68.614 68.868 0.017 0.000 0.870 174 T HN 0.460 nan 8.240 nan 0.000 0.445 175 S N 1.812 117.516 115.700 0.006 0.000 2.370 175 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 175 S C 2.192 176.793 174.600 0.002 0.000 1.033 175 S CA 1.690 59.892 58.200 0.004 0.000 1.011 175 S CB -0.297 62.904 63.200 0.002 0.000 0.852 175 S HN 0.849 nan 8.310 nan 0.000 0.457 176 E N 0.818 121.018 120.200 -0.002 0.000 2.190 176 E HA 0.063 4.413 4.350 -0.001 0.000 0.191 176 E C 1.617 178.215 176.600 -0.003 0.000 0.978 176 E CA 0.613 57.011 56.400 -0.005 0.000 0.839 176 E CB -0.068 29.626 29.700 -0.010 0.000 0.787 176 E HN 0.306 nan 8.360 nan 0.000 0.473 177 K N -0.432 119.968 120.400 -0.000 0.000 2.335 177 K HA 0.245 4.565 4.320 -0.001 0.000 0.195 177 K C -0.068 176.541 176.600 0.016 0.000 1.058 177 K CA 0.269 56.558 56.287 0.004 0.000 0.988 177 K CB 0.944 33.443 32.500 -0.002 0.000 0.880 177 K HN 0.047 nan 8.250 nan 0.000 0.513 178 c N 1.933 120.545 118.600 0.019 0.000 3.401 178 c HA 0.291 4.861 4.570 -0.001 0.000 0.204 178 c C -1.977 172.125 174.090 0.020 0.000 1.522 178 c CA -1.422 54.922 56.329 0.026 0.000 1.409 178 c CB 0.270 42.801 42.510 0.034 0.000 1.967 178 c HN 0.209 nan 8.230 nan 0.000 0.496 179 P HA -0.131 nan 4.420 nan 0.000 0.216 179 P C 1.759 179.066 177.300 0.012 0.000 1.153 179 P CA 1.885 64.991 63.100 0.010 0.000 0.858 179 P CB 0.139 31.842 31.700 0.006 0.000 0.789 180 G N -1.368 107.441 108.800 0.015 0.000 2.509 180 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.218 180 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.218 180 G C 1.166 176.076 174.900 0.018 0.000 1.124 180 G CA 0.737 45.846 45.100 0.015 0.000 0.776 180 G HN 0.348 nan 8.290 nan 0.000 0.547 181 N N -0.088 118.625 118.700 0.023 0.000 2.322 181 N HA 0.321 5.061 4.740 -0.001 0.000 0.181 181 N C 0.993 176.516 175.510 0.022 0.000 1.088 181 N CA 0.107 53.173 53.050 0.026 0.000 0.885 181 N CB 0.434 38.942 38.487 0.035 0.000 1.013 181 N HN 0.258 nan 8.380 nan 0.000 0.472 182 A N 0.836 123.666 122.820 0.018 0.000 2.546 182 A HA -0.005 4.315 4.320 -0.001 0.000 0.243 182 A C 1.240 178.833 177.584 0.015 0.000 1.063 182 A CA -0.128 51.918 52.037 0.015 0.000 0.757 182 A CB 0.086 19.093 19.000 0.011 0.000 0.991 182 A HN 0.272 nan 8.150 nan 0.000 0.503 183 L N 1.900 123.134 121.223 0.018 0.000 2.046 183 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 183 L C 2.612 179.492 176.870 0.016 0.000 1.077 183 L CA 2.569 57.422 54.840 0.022 0.000 0.747 183 L CB -0.454 41.624 42.059 0.032 0.000 0.896 183 L HN 0.891 nan 8.230 nan 0.000 0.432 184 E N -0.780 119.427 120.200 0.012 0.000 2.478 184 E HA -0.226 4.124 4.350 -0.001 0.000 0.198 184 E C 1.293 177.896 176.600 0.004 0.000 1.046 184 E CA 0.822 57.226 56.400 0.007 0.000 0.870 184 E CB -0.098 29.606 29.700 0.006 0.000 0.818 184 E HN 0.342 nan 8.360 nan 0.000 0.527 185 K N -0.386 120.018 120.400 0.006 0.000 2.399 185 K HA 0.249 4.569 4.320 -0.001 0.000 0.204 185 K C 0.763 177.365 176.600 0.003 0.000 1.023 185 K CA 0.554 56.843 56.287 0.003 0.000 1.127 185 K CB 0.778 33.281 32.500 0.004 0.000 0.856 185 K HN 0.265 nan 8.250 nan 0.000 0.514 186 G N -0.370 108.433 108.800 0.004 0.000 2.175 186 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 186 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 186 G C 0.509 175.413 174.900 0.006 0.000 0.982 186 G CA -0.186 44.916 45.100 0.003 0.000 0.641 186 G HN 0.515 nan 8.290 nan 0.000 0.527 187 G N -0.642 108.164 108.800 0.010 0.000 2.588 187 G HA2 0.504 4.463 3.960 -0.001 0.000 0.278 187 G HA3 0.504 4.463 3.960 -0.001 0.000 0.278 187 G C 0.886 175.798 174.900 0.020 0.000 1.307 187 G CA 0.276 45.384 45.100 0.013 0.000 1.016 187 G HN 0.297 nan 8.290 nan 0.000 0.503 188 K N -0.458 119.956 120.400 0.023 0.000 2.288 188 K HA 0.238 4.558 4.320 -0.001 0.000 0.201 188 K C 1.156 177.779 176.600 0.039 0.000 1.048 188 K CA 0.862 57.169 56.287 0.033 0.000 0.956 188 K CB -0.037 32.485 32.500 0.037 0.000 0.746 188 K HN 0.900 nan 8.250 nan 0.000 0.461 189 G N 0.655 109.474 108.800 0.031 0.000 2.423 189 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.684 189 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.684 189 G C -0.464 174.444 174.900 0.013 0.000 1.309 189 G CA -0.492 44.622 45.100 0.024 0.000 0.950 189 G HN 0.163 nan 8.290 nan 0.000 0.587 190 S N -0.848 114.850 115.700 -0.004 0.000 2.617 190 S HA 0.524 4.993 4.470 -0.001 0.000 0.259 190 S C 1.850 176.427 174.600 -0.039 0.000 1.301 190 S CA 0.136 58.328 58.200 -0.013 0.000 0.984 190 S CB 0.839 64.024 63.200 -0.025 0.000 0.954 190 S HN 0.924 nan 8.310 nan 0.000 0.572 191 I N 0.912 121.453 120.570 -0.049 0.000 2.151 191 I HA -0.225 3.945 4.170 -0.001 0.000 0.243 191 I C 2.717 178.744 176.117 -0.150 0.000 1.080 191 I CA 1.825 63.069 61.300 -0.094 0.000 1.339 191 I CB -1.006 36.919 38.000 -0.125 0.000 1.039 191 I HN 0.745 nan 8.210 nan 0.000 0.409 192 T N -0.130 114.291 114.554 -0.220 0.000 2.788 192 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 192 T C 1.731 176.264 174.700 -0.279 0.000 1.044 192 T CA 1.347 63.232 62.100 -0.358 0.000 1.139 192 T CB -0.260 68.249 68.868 -0.600 0.000 0.867 192 T HN 0.430 nan 8.240 nan 0.000 0.454 193 E N 1.089 121.181 120.200 -0.180 0.000 2.072 193 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 193 E C 2.535 179.106 176.600 -0.049 0.000 0.985 193 E CA 0.859 57.198 56.400 -0.102 0.000 0.801 193 E CB -0.105 29.570 29.700 -0.041 0.000 0.750 193 E HN 0.563 nan 8.360 nan 0.000 0.452 194 Q N 0.518 120.298 119.800 -0.033 0.000 2.167 194 Q HA -0.126 4.213 4.340 -0.001 0.000 0.202 194 Q C 2.410 178.410 176.000 0.002 0.000 0.970 194 Q CA 0.759 56.568 55.803 0.009 0.000 0.855 194 Q CB -0.123 28.632 28.738 0.028 0.000 0.911 194 Q HN 0.315 nan 8.270 nan 0.000 0.438 195 L N 0.576 121.774 121.223 -0.042 0.000 2.046 195 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 195 L C 2.084 178.962 176.870 0.014 0.000 1.077 195 L CA 1.151 55.977 54.840 -0.022 0.000 0.747 195 L CB -0.120 41.904 42.059 -0.058 0.000 0.896 195 L HN 0.217 nan 8.230 nan 0.000 0.432 196 L N -0.007 121.192 121.223 -0.040 0.000 2.131 196 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 196 L C 2.248 179.181 176.870 0.106 0.000 1.092 196 L CA 0.933 55.761 54.840 -0.020 0.000 0.759 196 L CB -0.710 41.266 42.059 -0.137 0.000 0.903 196 L HN 0.413 nan 8.230 nan 0.000 0.435 197 N N 0.262 119.000 118.700 0.064 0.000 2.270 197 N HA -0.087 4.653 4.740 -0.001 0.000 0.181 197 N C 1.900 177.466 175.510 0.094 0.000 1.016 197 N CA 1.313 54.416 53.050 0.087 0.000 0.870 197 N CB -0.196 38.341 38.487 0.082 0.000 0.979 197 N HN 0.259 nan 8.380 nan 0.000 0.431 198 A N 0.958 123.833 122.820 0.091 0.000 1.972 198 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 198 A C 1.092 178.733 177.584 0.094 0.000 1.169 198 A CA 0.730 52.819 52.037 0.086 0.000 0.635 198 A CB -0.506 18.537 19.000 0.072 0.000 0.810 198 A HN 0.387 nan 8.150 nan 0.000 0.446 199 R N -1.556 119.030 120.500 0.145 0.000 3.188 199 R HA -0.176 4.164 4.340 -0.001 0.000 0.247 199 R C 0.164 176.510 176.300 0.077 0.000 0.918 199 R CA 0.105 56.283 56.100 0.129 0.000 0.629 199 R CB -1.945 28.364 30.300 0.015 0.000 1.087 199 R HN 0.836 nan 8.270 nan 0.000 0.462 200 A N 0.909 123.797 122.820 0.113 0.000 2.406 200 A HA 0.076 4.396 4.320 -0.001 0.000 0.243 200 A C 1.057 178.680 177.584 0.065 0.000 1.082 200 A CA 0.161 52.253 52.037 0.092 0.000 0.786 200 A CB 0.278 19.344 19.000 0.110 0.000 1.029 200 A HN 0.582 nan 8.150 nan 0.000 0.495 201 D N -0.451 119.974 120.400 0.041 0.000 2.178 201 D HA -0.017 4.622 4.640 -0.001 0.000 0.202 201 D C -0.030 176.277 176.300 0.011 0.000 0.974 201 D CA 1.531 55.534 54.000 0.006 0.000 0.841 201 D CB 0.046 40.843 40.800 -0.005 0.000 0.953 201 D HN 0.191 nan 8.370 nan 0.000 0.478 202 V N 0.873 120.801 119.914 0.024 0.000 2.524 202 V HA 0.253 4.373 4.120 -0.001 0.000 0.297 202 V C -0.419 175.698 176.094 0.039 0.000 1.035 202 V CA -0.528 61.781 62.300 0.016 0.000 0.867 202 V CB 2.192 33.994 31.823 -0.035 0.000 1.004 202 V HN -0.140 nan 8.190 nan 0.000 0.426 203 T N 6.623 121.204 114.554 0.046 0.000 2.841 203 T HA 0.787 5.137 4.350 -0.001 0.000 0.285 203 T C -0.762 173.946 174.700 0.014 0.000 0.991 203 T CA -0.400 61.724 62.100 0.040 0.000 0.966 203 T CB 1.246 70.143 68.868 0.048 0.000 0.962 203 T HN 0.402 nan 8.240 nan 0.000 0.438 204 L N 2.350 123.597 121.223 0.040 0.000 2.464 204 L HA 0.859 5.198 4.340 -0.001 0.000 0.266 204 L C 0.391 177.332 176.870 0.120 0.000 0.965 204 L CA -0.624 54.277 54.840 0.102 0.000 0.833 204 L CB 2.145 44.329 42.059 0.208 0.000 1.296 204 L HN 0.930 nan 8.230 nan 0.000 0.405 205 G N 1.229 110.106 108.800 0.129 0.000 2.392 205 G HA2 0.503 4.463 3.960 -0.001 0.000 0.260 205 G HA3 0.503 4.463 3.960 -0.001 0.000 0.260 205 G C -1.015 173.945 174.900 0.099 0.000 1.226 205 G CA 0.078 45.259 45.100 0.135 0.000 0.913 205 G HN 0.791 nan 8.290 nan 0.000 0.483 206 G N -2.184 106.657 108.800 0.068 0.000 2.702 206 G HA2 0.640 4.600 3.960 -0.001 0.000 0.254 206 G HA3 0.640 4.600 3.960 -0.001 0.000 0.254 206 G C 0.937 175.853 174.900 0.025 0.000 1.380 206 G CA 0.407 45.535 45.100 0.047 0.000 1.042 206 G HN 2.338 nan 8.290 nan 0.000 0.557 207 G N -2.185 106.644 108.800 0.047 0.000 2.164 207 G HA2 0.173 4.133 3.960 -0.001 0.000 0.212 207 G HA3 0.173 4.133 3.960 -0.001 0.000 0.212 207 G C 0.959 175.947 174.900 0.148 0.000 1.031 207 G CA 0.891 46.042 45.100 0.087 0.000 0.730 207 G HN 1.581 nan 8.290 nan 0.000 0.501 208 A N -0.275 122.580 122.820 0.059 0.000 2.067 208 A HA 0.229 4.549 4.320 -0.001 0.000 0.217 208 A C 2.110 179.775 177.584 0.135 0.000 1.156 208 A CA 2.121 54.178 52.037 0.033 0.000 0.683 208 A CB -0.228 18.720 19.000 -0.087 0.000 0.808 208 A HN 0.552 nan 8.150 nan 0.000 0.455 209 K N -0.310 120.157 120.400 0.112 0.000 2.020 209 K HA -0.171 4.149 4.320 -0.001 0.000 0.212 209 K C 1.844 178.514 176.600 0.116 0.000 1.050 209 K CA 2.009 58.355 56.287 0.099 0.000 0.929 209 K CB -0.377 32.174 32.500 0.086 0.000 0.714 209 K HN 0.417 nan 8.250 nan 0.000 0.443 210 T N 0.684 115.317 114.554 0.132 0.000 2.881 210 T HA -0.102 4.247 4.350 -0.001 0.000 0.270 210 T C 1.293 175.994 174.700 0.001 0.000 1.068 210 T CA 1.103 63.235 62.100 0.055 0.000 1.131 210 T CB -0.259 68.615 68.868 0.009 0.000 0.871 210 T HN 0.171 nan 8.240 nan 0.000 0.479 211 F N 1.320 121.242 119.950 -0.046 0.000 2.722 211 F HA 0.169 4.695 4.527 -0.001 0.000 0.298 211 F C 2.242 178.014 175.800 -0.047 0.000 1.175 211 F CA 0.064 58.023 58.000 -0.069 0.000 1.462 211 F CB -0.458 38.477 39.000 -0.108 0.000 1.111 211 F HN 0.147 nan 8.300 nan 0.000 0.592 212 A N -0.848 122.041 122.820 0.115 0.000 2.123 212 A HA -0.000 4.319 4.320 -0.001 0.000 0.214 212 A C 1.088 178.695 177.584 0.038 0.000 1.152 212 A CA 0.076 52.153 52.037 0.066 0.000 0.728 212 A CB -0.407 18.625 19.000 0.052 0.000 0.814 212 A HN 0.265 nan 8.150 nan 0.000 0.464 213 E N 0.839 121.050 120.200 0.018 0.000 2.408 213 E HA 0.287 4.636 4.350 -0.001 0.000 0.259 213 E C -0.027 176.576 176.600 0.006 0.000 1.110 213 E CA 0.419 56.821 56.400 0.004 0.000 0.929 213 E CB 0.515 30.206 29.700 -0.015 0.000 0.971 213 E HN 0.433 nan 8.360 nan 0.000 0.438 214 T N -1.665 112.897 114.554 0.013 0.000 2.859 214 T HA 0.598 4.947 4.350 -0.001 0.000 0.281 214 T C -0.092 174.625 174.700 0.027 0.000 1.005 214 T CA -1.093 61.023 62.100 0.026 0.000 1.025 214 T CB 1.612 70.499 68.868 0.031 0.000 0.977 214 T HN 0.479 nan 8.240 nan 0.000 0.458 215 A N 2.347 125.196 122.820 0.049 0.000 2.462 215 A HA 0.466 4.785 4.320 -0.001 0.000 0.243 215 A C 1.584 179.196 177.584 0.046 0.000 1.076 215 A CA -0.013 52.058 52.037 0.056 0.000 0.773 215 A CB -0.110 18.956 19.000 0.109 0.000 1.010 215 A HN 1.180 nan 8.150 nan 0.000 0.493 216 T N -0.933 113.642 114.554 0.034 0.000 3.067 216 T HA 0.498 4.848 4.350 -0.001 0.000 0.257 216 T C 0.621 175.333 174.700 0.021 0.000 1.105 216 T CA 0.946 63.060 62.100 0.023 0.000 1.104 216 T CB -0.217 68.660 68.868 0.016 0.000 0.925 216 T HN 1.706 nan 8.240 nan 0.000 0.498 217 A N -0.561 122.276 122.820 0.028 0.000 2.524 217 A HA 0.814 5.134 4.320 -0.001 0.000 0.303 217 A C 0.404 177.999 177.584 0.020 0.000 1.195 217 A CA -0.257 51.789 52.037 0.015 0.000 0.651 217 A CB 0.562 19.568 19.000 0.010 0.000 1.323 217 A HN 1.515 nan 8.150 nan 0.000 0.479 218 G N -0.829 107.963 108.800 -0.012 0.000 2.828 218 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.463 218 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.463 218 G C 0.508 175.320 174.900 -0.146 0.000 1.394 218 G CA 0.771 45.845 45.100 -0.044 0.000 0.862 218 G HN 1.365 nan 8.290 nan 0.000 0.540 219 E N -0.931 119.061 120.200 -0.347 0.000 2.209 219 E HA -0.087 4.262 4.350 -0.001 0.000 0.196 219 E C 0.924 177.093 176.600 -0.718 0.000 0.993 219 E CA 1.587 57.575 56.400 -0.687 0.000 0.819 219 E CB -0.056 28.896 29.700 -1.245 0.000 0.745 219 E HN 0.537 nan 8.360 nan 0.000 0.477 220 W N 1.972 123.280 121.300 0.012 0.000 2.862 220 W HA 0.216 4.876 4.660 -0.001 0.000 0.426 220 W C 0.255 176.778 176.519 0.008 0.000 0.950 220 W CA -0.704 56.649 57.345 0.013 0.000 2.150 220 W CB -0.440 29.032 29.460 0.019 0.000 1.161 220 W HN 0.139 nan 8.180 nan 0.000 0.696 221 Q N 0.157 120.007 119.800 0.084 0.000 2.386 221 Q HA 0.258 4.597 4.340 -0.001 0.000 0.282 221 Q C 1.512 177.552 176.000 0.066 0.000 1.050 221 Q CA 2.148 57.990 55.803 0.066 0.000 0.918 221 Q CB 0.710 29.457 28.738 0.015 0.000 1.266 221 Q HN 0.462 nan 8.270 nan 0.000 0.423 222 G N 2.580 111.415 108.800 0.058 0.000 2.304 222 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.252 222 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.252 222 G C -0.241 174.697 174.900 0.063 0.000 1.014 222 G CA 0.769 45.898 45.100 0.049 0.000 0.619 222 G HN 0.733 nan 8.290 nan 0.000 0.525 223 K N 0.833 121.290 120.400 0.095 0.000 2.139 223 K HA 0.676 4.996 4.320 -0.001 0.000 0.243 223 K C 0.522 177.169 176.600 0.079 0.000 0.983 223 K CA -0.085 56.257 56.287 0.093 0.000 0.890 223 K CB 1.200 33.774 32.500 0.123 0.000 1.090 223 K HN 0.406 nan 8.250 nan 0.000 0.445 224 T N -1.132 113.457 114.554 0.058 0.000 2.856 224 T HA 0.099 4.449 4.350 -0.001 0.000 0.306 224 T C 1.413 176.136 174.700 0.039 0.000 1.062 224 T CA -0.605 61.522 62.100 0.045 0.000 1.083 224 T CB 0.241 69.135 68.868 0.045 0.000 0.984 224 T HN 0.591 nan 8.240 nan 0.000 0.542 225 L N 0.248 121.485 121.223 0.023 0.000 2.201 225 L HA 0.002 4.342 4.340 -0.001 0.000 0.212 225 L C 3.103 180.035 176.870 0.104 0.000 1.105 225 L CA 1.174 56.009 54.840 -0.008 0.000 0.775 225 L CB -0.595 41.366 42.059 -0.164 0.000 0.913 225 L HN 0.766 nan 8.230 nan 0.000 0.440 226 R N 0.679 121.263 120.500 0.141 0.000 2.066 226 R HA -0.155 4.185 4.340 -0.001 0.000 0.232 226 R C 2.151 178.449 176.300 -0.003 0.000 1.131 226 R CA 1.452 57.598 56.100 0.077 0.000 0.955 226 R CB -0.037 30.281 30.300 0.030 0.000 0.851 226 R HN 0.353 nan 8.270 nan 0.000 0.432 227 E N 0.222 120.426 120.200 0.008 0.000 2.085 227 E HA -0.300 4.050 4.350 -0.001 0.000 0.194 227 E C 2.060 178.636 176.600 -0.041 0.000 0.994 227 E CA 1.504 57.907 56.400 0.004 0.000 0.801 227 E CB -0.114 29.609 29.700 0.039 0.000 0.743 227 E HN 0.474 nan 8.360 nan 0.000 0.453 228 Q N 0.799 120.544 119.800 -0.092 0.000 2.061 228 Q HA -0.216 4.124 4.340 -0.001 0.000 0.204 228 Q C 2.182 177.987 176.000 -0.325 0.000 0.984 228 Q CA 1.622 57.223 55.803 -0.337 0.000 0.846 228 Q CB -0.174 28.346 28.738 -0.363 0.000 0.902 228 Q HN 0.241 nan 8.270 nan 0.000 0.421 229 A N 1.297 124.006 122.820 -0.186 0.000 1.892 229 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 229 A C 2.034 179.631 177.584 0.022 0.000 1.188 229 A CA 1.966 53.911 52.037 -0.153 0.000 0.631 229 A CB -0.787 18.052 19.000 -0.267 0.000 0.822 229 A HN 0.711 nan 8.150 nan 0.000 0.447 230 Q N -0.612 119.176 119.800 -0.019 0.000 2.167 230 Q HA 0.009 4.349 4.340 -0.001 0.000 0.202 230 Q C 2.185 178.197 176.000 0.021 0.000 0.970 230 Q CA 1.248 57.061 55.803 0.017 0.000 0.855 230 Q CB -0.532 28.205 28.738 -0.000 0.000 0.911 230 Q HN 0.591 nan 8.270 nan 0.000 0.438 231 A N 2.099 124.913 122.820 -0.010 0.000 1.972 231 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 231 A C 1.970 179.572 177.584 0.031 0.000 1.169 231 A CA 1.035 53.091 52.037 0.031 0.000 0.635 231 A CB -0.293 18.747 19.000 0.066 0.000 0.810 231 A HN 0.257 nan 8.150 nan 0.000 0.446 232 R N -1.310 119.161 120.500 -0.047 0.000 2.320 232 R HA 0.245 4.585 4.340 -0.001 0.000 0.211 232 R C 1.060 177.337 176.300 -0.039 0.000 0.931 232 R CA 0.480 56.561 56.100 -0.031 0.000 1.071 232 R CB -0.039 30.186 30.300 -0.124 0.000 1.025 232 R HN 0.656 nan 8.270 nan 0.000 0.495 233 G N 0.306 109.103 108.800 -0.005 0.000 2.132 233 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.234 233 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.234 233 G C -0.256 174.591 174.900 -0.088 0.000 0.989 233 G CA -0.386 44.683 45.100 -0.052 0.000 0.676 233 G HN 0.281 nan 8.290 nan 0.000 0.522 234 Y N 0.826 121.086 120.300 -0.068 0.000 2.336 234 Y HA 0.431 4.980 4.550 -0.001 0.000 0.331 234 Y C 1.338 177.194 175.900 -0.074 0.000 1.211 234 Y CA 0.168 58.225 58.100 -0.073 0.000 1.346 234 Y CB 0.669 39.074 38.460 -0.091 0.000 1.271 234 Y HN 0.244 nan 8.280 nan 0.000 0.538 235 Q N 3.074 122.924 119.800 0.084 0.000 2.349 235 Q HA 0.306 4.645 4.340 -0.001 0.000 0.254 235 Q C -1.336 174.665 176.000 0.001 0.000 0.980 235 Q CA -0.695 55.121 55.803 0.021 0.000 0.924 235 Q CB 1.021 29.759 28.738 -0.001 0.000 1.209 235 Q HN 0.412 nan 8.270 nan 0.000 0.445 236 L N 3.165 124.362 121.223 -0.043 0.000 2.292 236 L HA 0.435 4.775 4.340 -0.001 0.000 0.284 236 L C -0.531 176.266 176.870 -0.121 0.000 1.065 236 L CA -0.224 54.542 54.840 -0.124 0.000 0.806 236 L CB 1.656 43.625 42.059 -0.151 0.000 1.175 236 L HN 0.363 nan 8.230 nan 0.000 0.431 237 V N 1.780 121.584 119.914 -0.182 0.000 2.925 237 V HA 0.550 4.670 4.120 -0.001 0.000 0.311 237 V C -0.033 175.898 176.094 -0.271 0.000 1.104 237 V CA -0.059 62.160 62.300 -0.135 0.000 0.954 237 V CB 2.392 34.186 31.823 -0.049 0.000 1.022 237 V HN 0.848 nan 8.190 nan 0.000 0.427 238 S N 0.462 116.092 115.700 -0.116 0.000 2.993 238 S HA 0.376 4.845 4.470 -0.001 0.000 0.257 238 S C -0.453 174.289 174.600 0.237 0.000 0.997 238 S CA -0.138 57.986 58.200 -0.127 0.000 1.191 238 S CB 0.046 63.167 63.200 -0.132 0.000 1.143 238 S HN 0.882 nan 8.310 nan 0.000 0.655 239 D N -0.337 120.274 120.400 0.351 0.000 2.643 239 D HA 0.717 5.357 4.640 -0.001 0.000 0.283 239 D C 0.825 177.232 176.300 0.180 0.000 1.242 239 D CA -0.410 53.748 54.000 0.263 0.000 0.863 239 D CB 0.663 41.529 40.800 0.109 0.000 1.382 239 D HN -0.006 nan 8.370 nan 0.000 0.444 240 A N -0.082 122.737 122.820 -0.002 0.000 1.969 240 A HA 0.242 4.562 4.320 -0.001 0.000 0.218 240 A C 2.075 179.651 177.584 -0.013 0.000 1.169 240 A CA 1.939 53.934 52.037 -0.070 0.000 0.635 240 A CB -1.209 17.719 19.000 -0.120 0.000 0.810 240 A HN 0.670 nan 8.150 nan 0.000 0.445 241 A N -0.021 122.804 122.820 0.008 0.000 1.858 241 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 241 A C 2.451 180.048 177.584 0.021 0.000 1.190 241 A CA 2.132 54.174 52.037 0.008 0.000 0.617 241 A CB -1.055 17.951 19.000 0.010 0.000 0.827 241 A HN 0.477 nan 8.150 nan 0.000 0.443 242 S N -0.193 115.532 115.700 0.042 0.000 2.365 242 S HA -0.204 4.266 4.470 -0.001 0.000 0.225 242 S C 1.873 176.506 174.600 0.055 0.000 1.039 242 S CA 1.580 59.807 58.200 0.045 0.000 1.033 242 S CB -0.621 62.611 63.200 0.053 0.000 0.887 242 S HN 0.484 nan 8.310 nan 0.000 0.447 243 L N 2.911 124.194 121.223 0.099 0.000 2.012 243 L HA -0.124 4.216 4.340 -0.001 0.000 0.210 243 L C 1.710 178.597 176.870 0.028 0.000 1.073 243 L CA 1.788 56.687 54.840 0.097 0.000 0.748 243 L CB -0.944 41.181 42.059 0.110 0.000 0.891 243 L HN 0.165 nan 8.230 nan 0.000 0.431 244 N N -0.775 117.928 118.700 0.005 0.000 2.244 244 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 244 N C 1.811 177.317 175.510 -0.007 0.000 1.016 244 N CA 1.365 54.408 53.050 -0.011 0.000 0.866 244 N CB -0.249 38.228 38.487 -0.017 0.000 0.980 244 N HN 0.379 nan 8.380 nan 0.000 0.430 245 S N 0.323 116.024 115.700 0.001 0.000 2.447 245 S HA -0.008 4.462 4.470 -0.001 0.000 0.233 245 S C 0.939 175.537 174.600 -0.004 0.000 1.006 245 S CA 0.149 58.348 58.200 -0.001 0.000 0.957 245 S CB 0.098 63.299 63.200 0.003 0.000 0.773 245 S HN 0.035 nan 8.310 nan 0.000 0.507 246 V N 3.189 123.101 119.914 -0.003 0.000 2.529 246 V HA 0.081 4.200 4.120 -0.001 0.000 0.292 246 V C 1.408 177.492 176.094 -0.017 0.000 1.028 246 V CA 0.773 63.068 62.300 -0.009 0.000 1.074 246 V CB 0.866 32.686 31.823 -0.006 0.000 0.958 246 V HN 0.553 nan 8.190 nan 0.000 0.481 247 T N 0.546 115.089 114.554 -0.018 0.000 2.985 247 T HA 0.274 4.623 4.350 -0.001 0.000 0.254 247 T C 0.202 174.887 174.700 -0.025 0.000 1.021 247 T CA 0.042 62.130 62.100 -0.020 0.000 0.957 247 T CB 0.068 68.927 68.868 -0.014 0.000 1.047 247 T HN 0.819 nan 8.240 nan 0.000 0.511 248 E N 0.230 120.415 120.200 -0.026 0.000 2.372 248 E HA 0.686 5.036 4.350 -0.001 0.000 0.279 248 E C -1.763 174.816 176.600 -0.034 0.000 0.946 248 E CA -1.548 54.834 56.400 -0.030 0.000 0.769 248 E CB 1.760 31.446 29.700 -0.024 0.000 1.230 248 E HN 0.182 nan 8.360 nan 0.000 0.442 249 A N 2.746 125.541 122.820 -0.041 0.000 2.402 249 A HA 0.733 5.053 4.320 -0.001 0.000 0.291 249 A C -1.311 176.247 177.584 -0.045 0.000 1.051 249 A CA -0.598 51.413 52.037 -0.044 0.000 0.716 249 A CB 0.763 19.736 19.000 -0.045 0.000 1.223 249 A HN 0.815 nan 8.150 nan 0.000 0.425 250 N N 0.720 119.390 118.700 -0.051 0.000 3.364 250 N HA 0.258 4.997 4.740 -0.001 0.000 0.294 250 N C 0.224 175.693 175.510 -0.068 0.000 1.562 250 N CA -0.699 52.324 53.050 -0.044 0.000 0.862 250 N CB 0.321 38.789 38.487 -0.032 0.000 1.691 250 N HN 0.162 nan 8.380 nan 0.000 0.572 251 Q N -0.588 119.179 119.800 -0.056 0.000 2.291 251 Q HA -0.062 4.277 4.340 -0.001 0.000 0.206 251 Q C 0.898 176.838 176.000 -0.101 0.000 0.976 251 Q CA 1.657 57.416 55.803 -0.074 0.000 0.875 251 Q CB -0.252 28.461 28.738 -0.041 0.000 0.927 251 Q HN 0.605 nan 8.270 nan 0.000 0.450 252 Q N 0.352 120.104 119.800 -0.080 0.000 2.123 252 Q HA -0.024 4.316 4.340 -0.001 0.000 0.196 252 Q C 0.072 176.008 176.000 -0.107 0.000 0.958 252 Q CA 1.069 56.825 55.803 -0.078 0.000 0.841 252 Q CB 0.371 29.081 28.738 -0.048 0.000 0.915 252 Q HN 0.038 nan 8.270 nan 0.000 0.455 253 K N 0.751 121.089 120.400 -0.104 0.000 2.762 253 K HA 0.277 4.597 4.320 -0.001 0.000 0.180 253 K C -2.642 173.884 176.600 -0.124 0.000 1.067 253 K CA -1.534 54.688 56.287 -0.108 0.000 0.973 253 K CB 1.307 33.770 32.500 -0.061 0.000 1.290 253 K HN 0.017 nan 8.250 nan 0.000 0.604 254 P HA 0.029 nan 4.420 nan 0.000 0.275 254 P C -0.703 176.576 177.300 -0.035 0.000 1.228 254 P CA -0.644 62.350 63.100 -0.178 0.000 0.786 254 P CB 1.018 32.472 31.700 -0.410 0.000 0.927 255 L N 3.986 125.231 121.223 0.035 0.000 2.289 255 L HA 0.522 4.862 4.340 -0.001 0.000 0.285 255 L C -0.967 175.958 176.870 0.091 0.000 1.049 255 L CA -0.654 54.220 54.840 0.055 0.000 0.804 255 L CB 0.791 42.856 42.059 0.011 0.000 1.195 255 L HN 0.201 nan 8.230 nan 0.000 0.428 256 L N 5.031 126.271 121.223 0.028 0.000 2.406 256 L HA 0.791 5.131 4.340 -0.001 0.000 0.270 256 L C -0.279 176.432 176.870 -0.264 0.000 0.982 256 L CA -0.025 54.748 54.840 -0.112 0.000 0.843 256 L CB 1.475 43.399 42.059 -0.226 0.000 1.225 256 L HN 0.685 nan 8.230 nan 0.000 0.412 257 G N 5.898 114.504 108.800 -0.324 0.000 2.384 257 G HA2 0.568 4.528 3.960 -0.001 0.000 0.316 257 G HA3 0.568 4.528 3.960 -0.001 0.000 0.316 257 G C -1.059 173.285 174.900 -0.927 0.000 1.160 257 G CA -0.426 44.255 45.100 -0.698 0.000 0.936 257 G HN 0.542 nan 8.290 nan 0.000 0.455 258 L N 3.160 123.810 121.223 -0.955 0.000 2.313 258 L HA 0.331 4.671 4.340 -0.001 0.000 0.273 258 L C -0.035 176.480 176.870 -0.593 0.000 1.028 258 L CA -0.668 53.785 54.840 -0.646 0.000 0.871 258 L CB 0.842 42.587 42.059 -0.524 0.000 1.242 258 L HN 0.537 nan 8.230 nan 0.000 0.434 259 F N 1.466 121.371 119.950 -0.075 0.000 2.765 259 F HA 0.463 4.990 4.527 -0.001 0.000 0.302 259 F C 1.128 176.907 175.800 -0.035 0.000 1.111 259 F CA -0.221 57.748 58.000 -0.051 0.000 1.359 259 F CB 0.209 39.182 39.000 -0.045 0.000 1.097 259 F HN 0.453 nan 8.300 nan 0.000 0.577 260 A N -0.802 122.064 122.820 0.077 0.000 2.586 260 A HA 0.450 4.770 4.320 -0.001 0.000 0.290 260 A C -0.209 177.393 177.584 0.029 0.000 1.086 260 A CA -0.591 51.482 52.037 0.061 0.000 0.665 260 A CB 0.187 19.233 19.000 0.077 0.000 1.279 260 A HN -0.055 nan 8.150 nan 0.000 0.423 261 D N -0.325 120.096 120.400 0.035 0.000 2.137 261 D HA 0.249 4.889 4.640 -0.001 0.000 0.202 261 D C 1.405 177.741 176.300 0.060 0.000 0.970 261 D CA 2.478 56.502 54.000 0.039 0.000 0.837 261 D CB 0.178 41.000 40.800 0.037 0.000 0.981 261 D HN 0.723 nan 8.370 nan 0.000 0.475 262 G N -0.837 107.999 108.800 0.061 0.000 3.414 262 G HA2 0.169 4.129 3.960 -0.001 0.000 0.189 262 G HA3 0.169 4.129 3.960 -0.001 0.000 0.189 262 G C -0.150 174.792 174.900 0.070 0.000 1.329 262 G CA -0.472 44.673 45.100 0.076 0.000 0.851 262 G HN -0.011 nan 8.290 nan 0.000 0.671 263 N N 0.702 119.443 118.700 0.068 0.000 2.525 263 N HA 0.226 4.966 4.740 -0.001 0.000 0.271 263 N C 0.211 175.753 175.510 0.054 0.000 1.194 263 N CA 0.046 53.133 53.050 0.061 0.000 0.964 263 N CB 1.086 39.608 38.487 0.059 0.000 1.126 263 N HN 0.278 nan 8.380 nan 0.000 0.452 264 M N 1.897 121.529 119.600 0.053 0.000 2.232 264 M HA 0.127 4.606 4.480 -0.001 0.000 0.321 264 M C -1.684 174.632 176.300 0.026 0.000 1.101 264 M CA -0.983 54.345 55.300 0.047 0.000 1.181 264 M CB -0.051 32.576 32.600 0.046 0.000 1.432 264 M HN 0.302 nan 8.290 nan 0.000 0.457 265 P HA 0.098 nan 4.420 nan 0.000 0.269 265 P C -0.791 176.509 177.300 0.000 0.000 1.209 265 P CA -0.384 62.725 63.100 0.015 0.000 0.776 265 P CB 0.213 31.924 31.700 0.018 0.000 0.876 266 V N 1.259 121.175 119.914 0.004 0.000 2.881 266 V HA 0.225 4.344 4.120 -0.001 0.000 0.303 266 V C 1.901 177.995 176.094 -0.001 0.000 1.070 266 V CA -0.370 61.921 62.300 -0.014 0.000 1.074 266 V CB 0.542 32.361 31.823 -0.007 0.000 1.012 266 V HN 0.580 nan 8.190 nan 0.000 0.482 267 R N 1.659 122.126 120.500 -0.054 0.000 2.075 267 R HA 0.023 4.363 4.340 -0.001 0.000 0.232 267 R C -0.161 176.270 176.300 0.217 0.000 1.126 267 R CA 1.157 57.240 56.100 -0.027 0.000 0.963 267 R CB 0.143 30.282 30.300 -0.267 0.000 0.858 267 R HN 0.749 nan 8.270 nan 0.000 0.435 268 W N 0.326 121.614 121.300 -0.019 0.000 2.761 268 W HA 0.456 5.115 4.660 -0.001 0.000 0.340 268 W C -0.747 175.757 176.519 -0.026 0.000 1.072 268 W CA -0.958 56.375 57.345 -0.021 0.000 1.215 268 W CB 0.722 30.160 29.460 -0.037 0.000 1.420 268 W HN -0.103 nan 8.180 nan 0.000 0.519 269 L N 1.926 123.273 121.223 0.208 0.000 2.334 269 L HA 1.038 5.377 4.340 -0.001 0.000 0.270 269 L C 0.615 177.527 176.870 0.070 0.000 1.018 269 L CA -0.888 54.015 54.840 0.104 0.000 0.811 269 L CB 1.699 43.795 42.059 0.061 0.000 1.271 269 L HN 0.528 nan 8.230 nan 0.000 0.443 270 G N 0.560 109.387 108.800 0.046 0.000 2.411 270 G HA2 0.452 4.412 3.960 -0.001 0.000 0.295 270 G HA3 0.452 4.412 3.960 -0.001 0.000 0.295 270 G C -3.190 171.723 174.900 0.021 0.000 1.542 270 G CA -0.603 44.513 45.100 0.027 0.000 0.814 270 G HN 0.299 nan 8.290 nan 0.000 0.557 271 P HA 0.244 nan 4.420 nan 0.000 0.272 271 P C -0.416 176.888 177.300 0.007 0.000 1.240 271 P CA -0.325 62.783 63.100 0.014 0.000 0.791 271 P CB 1.214 32.925 31.700 0.018 0.000 0.978 272 K N 0.686 121.083 120.400 -0.004 0.000 2.202 272 K HA 0.400 4.720 4.320 -0.001 0.000 0.264 272 K C 0.077 176.671 176.600 -0.010 0.000 1.010 272 K CA -0.506 55.764 56.287 -0.029 0.000 0.940 272 K CB 0.579 33.060 32.500 -0.031 0.000 0.983 272 K HN 0.560 nan 8.250 nan 0.000 0.475 273 A N 1.870 124.671 122.820 -0.031 0.000 2.406 273 A HA 0.269 4.589 4.320 -0.001 0.000 0.243 273 A C -0.011 177.603 177.584 0.050 0.000 1.082 273 A CA 0.188 52.248 52.037 0.038 0.000 0.786 273 A CB 0.136 19.195 19.000 0.099 0.000 1.029 273 A HN 0.861 nan 8.150 nan 0.000 0.495 274 T N -1.914 112.691 114.554 0.085 0.000 2.841 274 T HA 0.480 4.829 4.350 -0.001 0.000 0.296 274 T C -0.664 174.119 174.700 0.139 0.000 1.166 274 T CA -0.548 61.613 62.100 0.102 0.000 1.007 274 T CB 0.626 69.544 68.868 0.084 0.000 1.253 274 T HN 0.710 nan 8.240 nan 0.000 0.511 275 Y N 2.193 122.513 120.300 0.033 0.000 2.632 275 Y HA 0.222 4.772 4.550 -0.000 0.000 0.329 275 Y C 1.034 176.977 175.900 0.072 0.000 1.174 275 Y CA 0.792 58.894 58.100 0.004 0.000 1.469 275 Y CB -0.499 37.910 38.460 -0.085 0.000 1.242 275 Y HN 0.937 nan 8.280 nan 0.000 0.540 276 H N 1.938 120.664 119.070 -0.573 0.000 2.861 276 H HA -0.188 4.368 4.556 -0.000 0.000 0.289 276 H C 1.511 176.746 175.328 -0.155 0.000 1.176 276 H CA 0.542 56.343 56.048 -0.411 0.000 1.146 276 H CB -1.442 28.035 29.762 -0.475 0.000 1.330 276 H HN 0.879 nan 8.280 nan 0.000 0.379 277 G N 0.554 109.377 108.800 0.038 0.000 2.470 277 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.220 277 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.220 277 G C 1.652 176.568 174.900 0.027 0.000 1.121 277 G CA 0.737 45.864 45.100 0.044 0.000 0.766 277 G HN 0.670 nan 8.290 nan 0.000 0.553 278 N N 1.159 119.866 118.700 0.010 0.000 2.457 278 N HA -0.033 4.707 4.740 -0.001 0.000 0.180 278 N C 2.010 177.503 175.510 -0.027 0.000 1.050 278 N CA 1.224 54.273 53.050 -0.001 0.000 0.906 278 N CB -0.191 38.294 38.487 -0.003 0.000 0.968 278 N HN 0.562 nan 8.380 nan 0.000 0.445 279 I N -2.163 118.375 120.570 -0.054 0.000 3.194 279 I HA 0.170 4.339 4.170 -0.001 0.000 0.271 279 I C 0.725 176.822 176.117 -0.034 0.000 1.150 279 I CA 0.519 61.775 61.300 -0.072 0.000 1.440 279 I CB -0.352 37.551 38.000 -0.161 0.000 1.276 279 I HN -0.291 nan 8.210 nan 0.000 0.457 280 D N 1.994 122.389 120.400 -0.009 0.000 2.183 280 D HA 0.046 4.686 4.640 -0.001 0.000 0.203 280 D C 0.601 176.913 176.300 0.021 0.000 0.969 280 D CA 1.193 55.205 54.000 0.019 0.000 0.842 280 D CB 0.210 41.041 40.800 0.052 0.000 0.957 280 D HN 0.438 nan 8.370 nan 0.000 0.484 281 K N 0.540 120.953 120.400 0.021 0.000 2.221 281 K HA 0.409 4.729 4.320 -0.001 0.000 0.243 281 K C -2.385 174.226 176.600 0.018 0.000 0.968 281 K CA -1.736 54.564 56.287 0.023 0.000 0.846 281 K CB 1.798 34.316 32.500 0.031 0.000 1.141 281 K HN -0.106 nan 8.250 nan 0.000 0.434 282 P HA 0.096 nan 4.420 nan 0.000 0.274 282 P C -0.997 176.317 177.300 0.023 0.000 1.237 282 P CA -0.432 62.677 63.100 0.015 0.000 0.793 282 P CB 0.757 32.464 31.700 0.013 0.000 0.977 283 A N 1.883 124.717 122.820 0.023 0.000 2.445 283 A HA 0.297 4.617 4.320 -0.001 0.000 0.242 283 A C 0.179 177.788 177.584 0.041 0.000 1.075 283 A CA -0.268 51.790 52.037 0.035 0.000 0.777 283 A CB -0.151 18.869 19.000 0.032 0.000 1.013 283 A HN 0.375 nan 8.150 nan 0.000 0.493 284 V N 2.019 121.969 119.914 0.061 0.000 2.539 284 V HA 0.460 4.579 4.120 -0.001 0.000 0.292 284 V C 0.456 176.607 176.094 0.097 0.000 1.045 284 V CA -0.208 62.130 62.300 0.062 0.000 0.945 284 V CB 1.712 33.570 31.823 0.059 0.000 0.993 284 V HN 0.937 nan 8.190 nan 0.000 0.464 285 T N 3.544 118.136 114.554 0.063 0.000 2.792 285 T HA 0.315 4.665 4.350 -0.001 0.000 0.280 285 T C -0.117 174.591 174.700 0.013 0.000 0.990 285 T CA -0.288 61.860 62.100 0.079 0.000 0.960 285 T CB 0.775 69.650 68.868 0.012 0.000 0.939 285 T HN 0.767 nan 8.240 nan 0.000 0.439 286 c N 2.622 121.215 118.600 -0.012 0.000 2.689 286 c HA 0.639 5.208 4.570 -0.001 0.000 0.409 286 c C 1.241 175.146 174.090 -0.307 0.000 1.293 286 c CA -0.474 55.741 56.329 -0.190 0.000 2.136 286 c CB 0.049 42.331 42.510 -0.381 0.000 2.719 286 c HN 0.896 nan 8.230 nan 0.000 0.644 287 T N 2.203 116.615 114.554 -0.238 0.000 2.886 287 T HA 0.485 4.834 4.350 -0.001 0.000 0.292 287 T C -2.943 171.673 174.700 -0.140 0.000 1.012 287 T CA -1.414 60.562 62.100 -0.207 0.000 0.982 287 T CB 1.371 70.187 68.868 -0.087 0.000 1.018 287 T HN 0.399 nan 8.240 nan 0.000 0.451 288 P HA 0.133 nan 4.420 nan 0.000 0.265 288 P C -0.599 176.763 177.300 0.103 0.000 1.193 288 P CA -0.236 62.922 63.100 0.097 0.000 0.765 288 P CB 0.281 32.026 31.700 0.076 0.000 0.823 289 N N 5.259 124.052 118.700 0.155 0.000 2.431 289 N HA 0.022 4.762 4.740 -0.001 0.000 0.265 289 N C -1.249 174.299 175.510 0.064 0.000 1.184 289 N CA -1.926 51.182 53.050 0.096 0.000 0.943 289 N CB 0.106 38.651 38.487 0.097 0.000 1.080 289 N HN 0.248 nan 8.380 nan 0.000 0.477 290 P HA -0.170 nan 4.420 nan 0.000 0.219 290 P C 0.303 177.620 177.300 0.029 0.000 1.146 290 P CA 1.279 64.398 63.100 0.032 0.000 0.808 290 P CB 0.177 31.891 31.700 0.022 0.000 0.779 291 Q N 0.259 120.077 119.800 0.030 0.000 2.228 291 Q HA 0.079 4.419 4.340 -0.001 0.000 0.211 291 Q C 1.692 177.706 176.000 0.023 0.000 0.890 291 Q CA -0.269 55.548 55.803 0.024 0.000 0.953 291 Q CB -0.313 28.439 28.738 0.023 0.000 1.053 291 Q HN 0.355 nan 8.270 nan 0.000 0.471 292 R N 0.425 120.942 120.500 0.027 0.000 2.236 292 R HA 0.021 4.361 4.340 -0.001 0.000 0.208 292 R C -0.086 176.215 176.300 0.002 0.000 1.036 292 R CA 0.257 56.367 56.100 0.017 0.000 1.001 292 R CB -0.249 30.068 30.300 0.028 0.000 0.896 292 R HN 0.179 nan 8.270 nan 0.000 0.464 293 N N 0.531 119.234 118.700 0.006 0.000 4.654 293 N HA -0.168 4.571 4.740 -0.001 0.000 0.343 293 N C -0.614 174.886 175.510 -0.017 0.000 1.678 293 N CA 1.031 54.079 53.050 -0.003 0.000 2.945 293 N CB -0.263 38.223 38.487 -0.002 0.000 0.396 293 N HN 0.280 nan 8.380 nan 0.000 0.828 294 D N -0.015 120.377 120.400 -0.013 0.000 2.289 294 D HA 0.057 4.696 4.640 -0.001 0.000 0.207 294 D C 1.611 177.894 176.300 -0.029 0.000 0.966 294 D CA 1.608 55.597 54.000 -0.019 0.000 0.868 294 D CB 0.083 40.877 40.800 -0.010 0.000 0.943 294 D HN 0.502 nan 8.370 nan 0.000 0.514 295 S N -1.052 114.635 115.700 -0.022 0.000 2.556 295 S HA 0.140 4.610 4.470 -0.001 0.000 0.216 295 S C 0.521 175.099 174.600 -0.038 0.000 0.970 295 S CA -0.443 57.746 58.200 -0.018 0.000 0.912 295 S CB 0.409 63.612 63.200 0.005 0.000 0.790 295 S HN -0.099 nan 8.310 nan 0.000 0.504 296 V N 4.827 124.701 119.914 -0.067 0.000 2.370 296 V HA 0.473 4.592 4.120 -0.001 0.000 0.283 296 V C -2.259 173.707 176.094 -0.215 0.000 1.023 296 V CA -2.171 60.055 62.300 -0.123 0.000 0.857 296 V CB 1.373 33.158 31.823 -0.063 0.000 0.985 296 V HN 0.265 nan 8.190 nan 0.000 0.443 297 P HA 0.225 nan 4.420 nan 0.000 0.274 297 P C -0.111 177.024 177.300 -0.275 0.000 1.231 297 P CA -0.014 62.864 63.100 -0.371 0.000 0.790 297 P CB 0.931 32.287 31.700 -0.572 0.000 0.951 298 T N -0.642 113.800 114.554 -0.187 0.000 2.902 298 T HA 0.160 4.510 4.350 -0.001 0.000 0.280 298 T C 1.286 175.899 174.700 -0.144 0.000 0.992 298 T CA -0.764 61.251 62.100 -0.141 0.000 1.015 298 T CB 0.485 69.291 68.868 -0.103 0.000 1.044 298 T HN 0.185 nan 8.240 nan 0.000 0.520 299 L N 1.351 122.501 121.223 -0.121 0.000 2.081 299 L HA 0.034 4.374 4.340 -0.001 0.000 0.212 299 L C 2.676 179.481 176.870 -0.107 0.000 1.080 299 L CA 2.387 57.161 54.840 -0.110 0.000 0.754 299 L CB -1.325 40.670 42.059 -0.106 0.000 0.893 299 L HN 0.938 nan 8.230 nan 0.000 0.433 300 A N -1.502 121.257 122.820 -0.103 0.000 1.929 300 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 300 A C 2.175 179.704 177.584 -0.092 0.000 1.176 300 A CA 1.487 53.470 52.037 -0.091 0.000 0.628 300 A CB -0.435 18.518 19.000 -0.078 0.000 0.816 300 A HN 0.629 nan 8.150 nan 0.000 0.444 301 Q N -0.808 118.930 119.800 -0.104 0.000 2.046 301 Q HA -0.115 4.225 4.340 -0.001 0.000 0.200 301 Q C 2.226 178.155 176.000 -0.119 0.000 0.975 301 Q CA 1.672 57.409 55.803 -0.110 0.000 0.836 301 Q CB -0.293 28.366 28.738 -0.131 0.000 0.896 301 Q HN 0.691 nan 8.270 nan 0.000 0.428 302 M N -0.100 119.419 119.600 -0.136 0.000 2.080 302 M HA -0.172 4.308 4.480 -0.001 0.000 0.260 302 M C 2.220 178.461 176.300 -0.099 0.000 1.068 302 M CA 1.510 56.742 55.300 -0.113 0.000 1.109 302 M CB -0.556 31.985 32.600 -0.099 0.000 1.342 302 M HN 0.197 nan 8.290 nan 0.000 0.405 303 T N 0.082 114.574 114.554 -0.102 0.000 2.720 303 T HA -0.168 4.182 4.350 -0.001 0.000 0.268 303 T C 1.391 176.012 174.700 -0.133 0.000 1.037 303 T CA 1.569 63.602 62.100 -0.111 0.000 1.144 303 T CB -0.389 68.421 68.868 -0.097 0.000 0.864 303 T HN 0.311 nan 8.240 nan 0.000 0.444 304 D N 0.488 120.821 120.400 -0.113 0.000 2.097 304 D HA -0.045 4.594 4.640 -0.001 0.000 0.195 304 D C 2.240 178.459 176.300 -0.135 0.000 0.989 304 D CA 1.032 54.964 54.000 -0.113 0.000 0.827 304 D CB -0.173 40.580 40.800 -0.078 0.000 0.966 304 D HN 0.140 nan 8.370 nan 0.000 0.456 305 K N 0.791 121.121 120.400 -0.116 0.000 2.057 305 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 305 K C 1.777 178.287 176.600 -0.150 0.000 1.050 305 K CA 1.319 57.541 56.287 -0.110 0.000 0.935 305 K CB -0.558 31.896 32.500 -0.076 0.000 0.715 305 K HN 0.026 nan 8.250 nan 0.000 0.439 306 A N 0.686 123.407 122.820 -0.166 0.000 1.877 306 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 306 A C 2.257 179.616 177.584 -0.376 0.000 1.186 306 A CA 1.740 53.644 52.037 -0.222 0.000 0.620 306 A CB -0.696 18.192 19.000 -0.185 0.000 0.822 306 A HN 0.327 nan 8.150 nan 0.000 0.443 307 I N -0.550 119.773 120.570 -0.412 0.000 2.226 307 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 307 I C 2.611 178.417 176.117 -0.518 0.000 1.100 307 I CA 1.794 62.716 61.300 -0.629 0.000 1.374 307 I CB -0.375 37.265 38.000 -0.599 0.000 1.057 307 I HN 0.565 nan 8.210 nan 0.000 0.413 308 E N 1.585 121.602 120.200 -0.305 0.000 2.038 308 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 308 E C 2.386 178.875 176.600 -0.185 0.000 1.000 308 E CA 1.454 57.740 56.400 -0.190 0.000 0.803 308 E CB -0.074 29.556 29.700 -0.117 0.000 0.750 308 E HN 0.457 nan 8.360 nan 0.000 0.448 309 L N 0.545 121.653 121.223 -0.192 0.000 2.046 309 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 309 L C 2.658 179.409 176.870 -0.198 0.000 1.077 309 L CA 0.928 55.673 54.840 -0.158 0.000 0.747 309 L CB -0.396 41.584 42.059 -0.131 0.000 0.896 309 L HN 0.237 nan 8.230 nan 0.000 0.432 310 L N -0.520 120.488 121.223 -0.359 0.000 2.313 310 L HA -0.073 4.266 4.340 -0.001 0.000 0.214 310 L C 2.612 179.304 176.870 -0.296 0.000 1.119 310 L CA 0.900 55.489 54.840 -0.419 0.000 0.809 310 L CB -0.497 41.066 42.059 -0.826 0.000 0.933 310 L HN 0.326 nan 8.230 nan 0.000 0.449 311 S N -0.852 114.678 115.700 -0.283 0.000 2.522 311 S HA -0.061 4.408 4.470 -0.001 0.000 0.227 311 S C 1.711 176.363 174.600 0.087 0.000 0.986 311 S CA 0.237 58.462 58.200 0.041 0.000 0.929 311 S CB -0.173 63.082 63.200 0.092 0.000 0.769 311 S HN 0.383 nan 8.310 nan 0.000 0.529 312 K N 1.778 122.188 120.400 0.017 0.000 2.283 312 K HA 0.054 4.373 4.320 -0.001 0.000 0.202 312 K C 0.769 177.401 176.600 0.052 0.000 1.048 312 K CA 0.404 56.710 56.287 0.032 0.000 0.948 312 K CB -0.211 32.290 32.500 0.001 0.000 0.742 312 K HN 0.348 nan 8.250 nan 0.000 0.458 313 N N 2.140 120.880 118.700 0.067 0.000 2.416 313 N HA -0.068 4.671 4.740 -0.001 0.000 0.265 313 N C 0.312 175.885 175.510 0.106 0.000 1.195 313 N CA 0.343 53.441 53.050 0.081 0.000 0.943 313 N CB 0.862 39.406 38.487 0.095 0.000 1.115 313 N HN 0.039 nan 8.380 nan 0.000 0.481 314 E N 3.112 123.358 120.200 0.077 0.000 2.333 314 E HA -0.177 4.172 4.350 -0.001 0.000 0.198 314 E C 1.061 177.703 176.600 0.071 0.000 1.007 314 E CA 0.887 57.331 56.400 0.073 0.000 0.845 314 E CB 0.207 29.938 29.700 0.051 0.000 0.766 314 E HN 0.571 nan 8.360 nan 0.000 0.507 315 K N -0.083 120.359 120.400 0.071 0.000 2.155 315 K HA 0.012 4.332 4.320 -0.001 0.000 0.203 315 K C 0.652 177.292 176.600 0.067 0.000 1.052 315 K CA 0.897 57.220 56.287 0.060 0.000 0.948 315 K CB 0.266 32.799 32.500 0.055 0.000 0.728 315 K HN 0.216 nan 8.250 nan 0.000 0.448 316 G N -1.221 107.645 108.800 0.111 0.000 2.371 316 G HA2 0.177 4.137 3.960 -0.001 0.000 0.663 316 G HA3 0.177 4.137 3.960 -0.001 0.000 0.663 316 G C -1.265 173.753 174.900 0.197 0.000 1.311 316 G CA -0.563 44.593 45.100 0.092 0.000 0.985 316 G HN 0.336 nan 8.290 nan 0.000 0.566 317 F N -1.985 118.009 119.950 0.074 0.000 2.668 317 F HA 0.861 5.387 4.527 -0.001 0.000 0.309 317 F C -1.365 174.508 175.800 0.121 0.000 1.117 317 F CA -2.064 55.984 58.000 0.079 0.000 0.951 317 F CB 1.535 40.550 39.000 0.026 0.000 1.323 317 F HN 0.953 nan 8.300 nan 0.000 0.451 318 F N 3.857 123.978 119.950 0.284 0.000 2.520 318 F HA 0.839 5.366 4.527 -0.001 0.000 0.322 318 F C -2.057 173.921 175.800 0.296 0.000 1.103 318 F CA -1.234 56.873 58.000 0.178 0.000 0.926 318 F CB 1.852 40.906 39.000 0.089 0.000 1.154 318 F HN 0.759 nan 8.300 nan 0.000 0.453 319 L N 5.859 126.758 121.223 -0.541 0.000 2.464 319 L HA 0.489 4.828 4.340 -0.001 0.000 0.266 319 L C -1.640 174.876 176.870 -0.590 0.000 0.965 319 L CA -0.214 54.433 54.840 -0.321 0.000 0.833 319 L CB 2.051 44.089 42.059 -0.035 0.000 1.296 319 L HN 0.779 nan 8.230 nan 0.000 0.405 320 Q N 3.696 123.321 119.800 -0.292 0.000 2.337 320 Q HA 0.794 5.134 4.340 -0.001 0.000 0.266 320 Q C -2.014 173.952 176.000 -0.057 0.000 1.023 320 Q CA -0.787 54.923 55.803 -0.154 0.000 0.829 320 Q CB 2.247 31.062 28.738 0.128 0.000 1.306 320 Q HN 0.624 nan 8.270 nan 0.000 0.449 321 V N 3.318 123.190 119.914 -0.071 0.000 2.531 321 V HA 0.414 4.533 4.120 -0.001 0.000 0.301 321 V C -0.867 175.198 176.094 -0.048 0.000 1.034 321 V CA -0.721 61.545 62.300 -0.056 0.000 0.865 321 V CB 1.730 33.503 31.823 -0.083 0.000 0.995 321 V HN 0.836 nan 8.190 nan 0.000 0.424 322 E N 2.787 122.974 120.200 -0.021 0.000 2.165 322 E HA 0.554 4.904 4.350 -0.001 0.000 0.266 322 E C 0.048 176.626 176.600 -0.036 0.000 0.889 322 E CA -0.584 55.806 56.400 -0.016 0.000 0.756 322 E CB 1.836 31.558 29.700 0.038 0.000 1.131 322 E HN 0.882 nan 8.360 nan 0.000 0.411 323 G N 3.075 111.835 108.800 -0.067 0.000 2.639 323 G HA2 0.345 4.305 3.960 -0.001 0.000 0.312 323 G HA3 0.345 4.305 3.960 -0.001 0.000 0.312 323 G C 0.648 175.517 174.900 -0.052 0.000 0.911 323 G CA 0.215 45.266 45.100 -0.082 0.000 1.410 323 G HN 0.574 nan 8.290 nan 0.000 0.469 324 A N 2.272 125.080 122.820 -0.020 0.000 1.929 324 A HA 0.060 4.380 4.320 -0.001 0.000 0.216 324 A C 2.403 180.002 177.584 0.025 0.000 1.176 324 A CA 1.568 53.616 52.037 0.018 0.000 0.628 324 A CB -0.035 18.991 19.000 0.044 0.000 0.816 324 A HN 0.502 nan 8.150 nan 0.000 0.444 325 S N -0.133 115.565 115.700 -0.003 0.000 2.607 325 S HA 0.086 4.556 4.470 -0.001 0.000 0.224 325 S C 1.485 176.071 174.600 -0.023 0.000 0.969 325 S CA 0.348 58.550 58.200 0.003 0.000 0.927 325 S CB -0.488 62.709 63.200 -0.006 0.000 0.772 325 S HN 0.539 nan 8.310 nan 0.000 0.533 326 I N 1.863 122.401 120.570 -0.053 0.000 2.127 326 I HA -0.234 3.935 4.170 -0.001 0.000 0.241 326 I C 2.589 178.656 176.117 -0.083 0.000 1.075 326 I CA 1.521 62.771 61.300 -0.083 0.000 1.334 326 I CB -0.345 37.594 38.000 -0.101 0.000 1.040 326 I HN 0.330 nan 8.210 nan 0.000 0.405 327 D N 1.464 121.855 120.400 -0.014 0.000 2.097 327 D HA -0.211 4.428 4.640 -0.001 0.000 0.195 327 D C 2.042 178.415 176.300 0.120 0.000 0.989 327 D CA 1.500 55.541 54.000 0.067 0.000 0.827 327 D CB 0.094 41.051 40.800 0.262 0.000 0.966 327 D HN 0.342 nan 8.370 nan 0.000 0.456 328 K N -0.229 120.284 120.400 0.187 0.000 2.097 328 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 328 K C 2.373 179.052 176.600 0.132 0.000 1.049 328 K CA 0.844 57.278 56.287 0.245 0.000 0.933 328 K CB 0.000 32.596 32.500 0.160 0.000 0.717 328 K HN 0.164 nan 8.250 nan 0.000 0.442 329 Q N 0.804 120.616 119.800 0.020 0.000 2.245 329 Q HA -0.110 4.229 4.340 -0.001 0.000 0.201 329 Q C 1.665 177.614 176.000 -0.084 0.000 0.955 329 Q CA 1.035 56.822 55.803 -0.026 0.000 0.870 329 Q CB -0.116 28.601 28.738 -0.036 0.000 0.945 329 Q HN 0.338 nan 8.270 nan 0.000 0.461 330 D N 0.003 120.303 120.400 -0.167 0.000 2.117 330 D HA -0.165 4.475 4.640 -0.001 0.000 0.197 330 D C 1.693 177.875 176.300 -0.196 0.000 0.987 330 D CA 0.893 54.733 54.000 -0.268 0.000 0.829 330 D CB 0.246 40.512 40.800 -0.891 0.000 0.961 330 D HN 0.318 nan 8.370 nan 0.000 0.460 331 H N 0.150 119.201 119.070 -0.032 0.000 2.353 331 H HA -0.015 4.540 4.556 -0.001 0.000 0.300 331 H C 1.846 177.170 175.328 -0.007 0.000 1.090 331 H CA 1.309 57.438 56.048 0.135 0.000 1.327 331 H CB -0.200 29.670 29.762 0.180 0.000 1.383 331 H HN 0.129 nan 8.280 nan 0.000 0.508 332 A N 0.600 123.459 122.820 0.065 0.000 2.216 332 A HA 0.260 4.580 4.320 -0.001 0.000 0.214 332 A C 1.555 179.023 177.584 -0.194 0.000 1.160 332 A CA 0.971 52.987 52.037 -0.035 0.000 0.725 332 A CB -0.469 18.517 19.000 -0.024 0.000 0.784 332 A HN 0.488 nan 8.150 nan 0.000 0.472 333 A N -0.531 122.030 122.820 -0.431 0.000 2.739 333 A HA -0.176 4.143 4.320 -0.001 0.000 0.296 333 A C 0.159 177.382 177.584 -0.602 0.000 1.488 333 A CA 0.855 52.280 52.037 -1.018 0.000 0.746 333 A CB -2.346 16.256 19.000 -0.663 0.000 1.047 333 A HN 0.643 nan 8.150 nan 0.000 0.477 334 N N -0.487 118.011 118.700 -0.337 0.000 2.626 334 N HA 0.419 5.159 4.740 -0.001 0.000 0.249 334 N C -1.914 173.581 175.510 -0.026 0.000 1.021 334 N CA -1.716 51.259 53.050 -0.124 0.000 0.886 334 N CB 1.368 39.813 38.487 -0.070 0.000 1.149 334 N HN 0.037 nan 8.380 nan 0.000 0.517 335 P HA -0.081 nan 4.420 nan 0.000 0.214 335 P C 1.302 178.618 177.300 0.028 0.000 1.163 335 P CA 1.122 64.283 63.100 0.102 0.000 0.889 335 P CB 0.394 32.165 31.700 0.119 0.000 0.790 336 c N -1.083 117.530 118.600 0.021 0.000 2.413 336 c HA -0.074 4.496 4.570 -0.001 0.000 0.276 336 c C 2.937 177.095 174.090 0.113 0.000 1.236 336 c CA 1.597 57.974 56.329 0.079 0.000 1.735 336 c CB -2.036 40.528 42.510 0.090 0.000 2.031 336 c HN 0.316 nan 8.230 nan 0.000 0.474 337 G N -0.693 108.138 108.800 0.052 0.000 2.421 337 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.216 337 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.216 337 G C 1.555 176.419 174.900 -0.060 0.000 1.171 337 G CA 0.996 46.100 45.100 0.007 0.000 0.775 337 G HN 0.684 nan 8.290 nan 0.000 0.543 338 Q N -0.102 119.672 119.800 -0.043 0.000 2.061 338 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 338 Q C 2.547 178.483 176.000 -0.107 0.000 0.984 338 Q CA 1.435 57.199 55.803 -0.065 0.000 0.846 338 Q CB -0.230 28.501 28.738 -0.013 0.000 0.902 338 Q HN 0.555 nan 8.270 nan 0.000 0.421 339 I N 0.248 120.761 120.570 -0.095 0.000 2.286 339 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 339 I C 2.359 178.224 176.117 -0.419 0.000 1.104 339 I CA 0.970 62.187 61.300 -0.139 0.000 1.397 339 I CB -0.508 37.467 38.000 -0.041 0.000 1.072 339 I HN 0.366 nan 8.210 nan 0.000 0.417 340 G N 0.425 108.856 108.800 -0.614 0.000 2.442 340 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.219 340 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.219 340 G C 1.508 175.993 174.900 -0.692 0.000 1.141 340 G CA 0.558 44.912 45.100 -1.243 0.000 0.763 340 G HN 0.289 nan 8.290 nan 0.000 0.554 341 E N 0.487 120.449 120.200 -0.397 0.000 2.208 341 E HA -0.055 4.294 4.350 -0.001 0.000 0.193 341 E C 2.656 179.090 176.600 -0.278 0.000 0.988 341 E CA 1.109 57.343 56.400 -0.278 0.000 0.828 341 E CB -0.551 29.044 29.700 -0.175 0.000 0.763 341 E HN 0.373 nan 8.360 nan 0.000 0.478 342 T N 0.877 115.258 114.554 -0.289 0.000 2.857 342 T HA -0.040 4.309 4.350 -0.001 0.000 0.266 342 T C 2.177 176.634 174.700 -0.404 0.000 1.048 342 T CA 0.677 62.595 62.100 -0.303 0.000 1.139 342 T CB -0.118 68.616 68.868 -0.223 0.000 0.874 342 T HN -0.039 nan 8.240 nan 0.000 0.455 343 V N 1.928 121.615 119.914 -0.377 0.000 2.343 343 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 343 V C 2.466 178.388 176.094 -0.287 0.000 1.051 343 V CA 1.902 64.018 62.300 -0.306 0.000 1.036 343 V CB -0.566 31.078 31.823 -0.298 0.000 0.654 343 V HN 0.433 nan 8.190 nan 0.000 0.451 344 D N -0.253 119.962 120.400 -0.309 0.000 2.123 344 D HA -0.198 4.441 4.640 -0.001 0.000 0.196 344 D C 1.929 178.103 176.300 -0.210 0.000 0.992 344 D CA 1.425 55.286 54.000 -0.231 0.000 0.833 344 D CB -0.158 40.501 40.800 -0.236 0.000 0.954 344 D HN 0.312 nan 8.370 nan 0.000 0.455 345 L N 0.343 121.420 121.223 -0.244 0.000 2.093 345 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 345 L C 1.717 178.434 176.870 -0.256 0.000 1.085 345 L CA 1.894 56.597 54.840 -0.229 0.000 0.755 345 L CB -0.776 41.141 42.059 -0.236 0.000 0.904 345 L HN 0.002 nan 8.230 nan 0.000 0.435 346 D N -0.642 119.549 120.400 -0.348 0.000 2.123 346 D HA -0.246 4.394 4.640 -0.001 0.000 0.196 346 D C 1.958 178.137 176.300 -0.201 0.000 0.992 346 D CA 1.655 55.443 54.000 -0.353 0.000 0.833 346 D CB -0.000 40.484 40.800 -0.526 0.000 0.954 346 D HN 0.537 nan 8.370 nan 0.000 0.455 347 E N -0.215 119.891 120.200 -0.157 0.000 2.110 347 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 347 E C 2.148 178.689 176.600 -0.098 0.000 0.988 347 E CA 0.965 57.306 56.400 -0.099 0.000 0.804 347 E CB -0.186 29.465 29.700 -0.082 0.000 0.745 347 E HN 0.407 nan 8.360 nan 0.000 0.458 348 A N 0.936 123.685 122.820 -0.118 0.000 1.930 348 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 348 A C 2.491 180.017 177.584 -0.097 0.000 1.175 348 A CA 0.964 52.939 52.037 -0.104 0.000 0.627 348 A CB -0.516 18.416 19.000 -0.113 0.000 0.815 348 A HN 0.107 nan 8.150 nan 0.000 0.443 349 V N 0.030 119.870 119.914 -0.122 0.000 2.407 349 V HA -0.319 3.801 4.120 -0.001 0.000 0.248 349 V C 2.599 178.641 176.094 -0.088 0.000 1.055 349 V CA 2.194 64.427 62.300 -0.112 0.000 1.049 349 V CB -0.937 30.797 31.823 -0.150 0.000 0.662 349 V HN 0.628 nan 8.190 nan 0.000 0.455 350 Q N -0.473 119.274 119.800 -0.088 0.000 2.084 350 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 350 Q C 2.570 178.551 176.000 -0.032 0.000 0.978 350 Q CA 1.355 57.121 55.803 -0.062 0.000 0.844 350 Q CB -0.196 28.512 28.738 -0.049 0.000 0.898 350 Q HN 0.533 nan 8.270 nan 0.000 0.426 351 R N 0.062 120.545 120.500 -0.028 0.000 2.096 351 R HA -0.063 4.277 4.340 -0.001 0.000 0.235 351 R C 2.107 178.432 176.300 0.042 0.000 1.127 351 R CA 1.236 57.336 56.100 -0.000 0.000 0.968 351 R CB -0.628 29.658 30.300 -0.024 0.000 0.861 351 R HN 0.239 nan 8.270 nan 0.000 0.440 352 A N 1.131 123.967 122.820 0.026 0.000 1.969 352 A HA -0.049 4.271 4.320 -0.001 0.000 0.218 352 A C 2.319 179.979 177.584 0.126 0.000 1.169 352 A CA 0.875 52.965 52.037 0.089 0.000 0.635 352 A CB -0.389 18.634 19.000 0.039 0.000 0.810 352 A HN 0.161 nan 8.150 nan 0.000 0.445 353 L N -1.281 119.960 121.223 0.030 0.000 2.131 353 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 353 L C 2.546 179.402 176.870 -0.023 0.000 1.087 353 L CA 1.272 56.088 54.840 -0.040 0.000 0.767 353 L CB -0.374 41.599 42.059 -0.143 0.000 0.917 353 L HN 0.396 nan 8.230 nan 0.000 0.441 354 E N -0.181 120.031 120.200 0.020 0.000 2.058 354 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 354 E C 1.867 178.510 176.600 0.072 0.000 0.997 354 E CA 1.670 58.089 56.400 0.031 0.000 0.801 354 E CB -0.183 29.545 29.700 0.046 0.000 0.746 354 E HN 0.343 nan 8.360 nan 0.000 0.450 355 F N 0.818 120.778 119.950 0.018 0.000 2.102 355 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 355 F C 2.008 177.852 175.800 0.072 0.000 1.105 355 F CA 1.605 59.635 58.000 0.050 0.000 1.239 355 F CB -0.546 38.497 39.000 0.072 0.000 0.991 355 F HN 0.026 nan 8.300 nan 0.000 0.474 356 A N 0.427 123.262 122.820 0.025 0.000 1.877 356 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 356 A C 2.278 179.866 177.584 0.006 0.000 1.186 356 A CA 1.862 53.889 52.037 -0.017 0.000 0.620 356 A CB -0.775 18.375 19.000 0.250 0.000 0.822 356 A HN 0.461 nan 8.150 nan 0.000 0.443 357 K N 0.073 120.495 120.400 0.036 0.000 2.063 357 K HA -0.222 4.098 4.320 -0.001 0.000 0.208 357 K C 2.174 178.759 176.600 -0.025 0.000 1.048 357 K CA 1.917 58.233 56.287 0.047 0.000 0.928 357 K CB -0.198 32.276 32.500 -0.043 0.000 0.713 357 K HN 0.751 nan 8.250 nan 0.000 0.442 358 K N 0.417 120.757 120.400 -0.100 0.000 2.116 358 K HA -0.085 4.234 4.320 -0.001 0.000 0.203 358 K C 2.008 178.497 176.600 -0.185 0.000 1.052 358 K CA 1.012 57.231 56.287 -0.114 0.000 0.952 358 K CB 0.002 32.453 32.500 -0.081 0.000 0.729 358 K HN -0.034 nan 8.250 nan 0.000 0.446 359 E N 1.086 121.061 120.200 -0.376 0.000 2.072 359 E HA -0.127 4.223 4.350 -0.001 0.000 0.190 359 E C 1.313 177.786 176.600 -0.212 0.000 0.982 359 E CA 1.669 57.826 56.400 -0.405 0.000 0.803 359 E CB -0.099 29.080 29.700 -0.869 0.000 0.755 359 E HN 0.599 nan 8.360 nan 0.000 0.453 360 G N 0.782 109.482 108.800 -0.166 0.000 2.225 360 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.254 360 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.254 360 G C 0.539 175.379 174.900 -0.100 0.000 0.988 360 G CA 0.455 45.497 45.100 -0.097 0.000 0.625 360 G HN 0.344 nan 8.290 nan 0.000 0.527 361 N N 0.770 119.404 118.700 -0.110 0.000 2.517 361 N HA 0.214 4.953 4.740 -0.001 0.000 0.285 361 N C -0.666 174.790 175.510 -0.091 0.000 1.528 361 N CA 0.208 53.206 53.050 -0.087 0.000 0.892 361 N CB 1.221 39.670 38.487 -0.063 0.000 1.356 361 N HN 0.265 nan 8.380 nan 0.000 0.495 362 T N 1.395 115.893 114.554 -0.092 0.000 2.792 362 T HA 0.318 4.668 4.350 -0.001 0.000 0.280 362 T C -0.373 174.298 174.700 -0.047 0.000 0.990 362 T CA -0.458 61.607 62.100 -0.058 0.000 0.960 362 T CB 1.973 70.861 68.868 0.033 0.000 0.939 362 T HN 0.025 nan 8.240 nan 0.000 0.439 363 L N 5.490 126.681 121.223 -0.053 0.000 2.265 363 L HA 0.635 4.975 4.340 -0.001 0.000 0.288 363 L C -0.853 176.019 176.870 0.003 0.000 1.058 363 L CA -0.244 54.574 54.840 -0.037 0.000 0.809 363 L CB 0.606 42.648 42.059 -0.028 0.000 1.179 363 L HN 0.419 nan 8.230 nan 0.000 0.429 364 V N 6.951 126.901 119.914 0.060 0.000 2.459 364 V HA 0.526 4.646 4.120 -0.001 0.000 0.295 364 V C 0.046 176.152 176.094 0.020 0.000 1.029 364 V CA -0.424 61.911 62.300 0.059 0.000 0.874 364 V CB 1.618 33.520 31.823 0.130 0.000 0.985 364 V HN 0.651 nan 8.190 nan 0.000 0.438 365 I N 4.422 124.969 120.570 -0.040 0.000 2.545 365 I HA 0.607 4.777 4.170 -0.001 0.000 0.292 365 I C -0.914 175.128 176.117 -0.125 0.000 1.040 365 I CA -0.817 60.437 61.300 -0.077 0.000 1.068 365 I CB 2.356 40.301 38.000 -0.091 0.000 1.251 365 I HN 0.265 nan 8.210 nan 0.000 0.424 366 V N 4.498 124.326 119.914 -0.142 0.000 2.525 366 V HA 0.713 4.832 4.120 -0.001 0.000 0.299 366 V C -0.225 175.740 176.094 -0.216 0.000 1.034 366 V CA -0.236 61.960 62.300 -0.172 0.000 0.863 366 V CB 1.743 33.478 31.823 -0.146 0.000 0.999 366 V HN 0.899 nan 8.190 nan 0.000 0.423 367 T N 2.858 117.258 114.554 -0.257 0.000 2.648 367 T HA 0.848 5.198 4.350 -0.001 0.000 0.304 367 T C -1.374 173.180 174.700 -0.245 0.000 1.312 367 T CA 0.391 62.320 62.100 -0.285 0.000 1.023 367 T CB 1.872 70.475 68.868 -0.441 0.000 1.612 367 T HN 1.105 nan 8.240 nan 0.000 0.487 368 A N 0.372 123.083 122.820 -0.181 0.000 2.435 368 A HA 0.690 5.009 4.320 -0.001 0.000 0.296 368 A C 0.529 178.071 177.584 -0.069 0.000 1.147 368 A CA 0.054 51.994 52.037 -0.162 0.000 0.775 368 A CB 1.195 20.097 19.000 -0.164 0.000 1.340 368 A HN 0.878 nan 8.150 nan 0.000 0.427 369 D N -0.495 119.834 120.400 -0.118 0.000 2.162 369 D HA 0.091 4.731 4.640 -0.001 0.000 0.203 369 D C 0.505 176.710 176.300 -0.159 0.000 0.967 369 D CA 1.978 56.046 54.000 0.114 0.000 0.840 369 D CB -0.332 40.620 40.800 0.253 0.000 0.972 369 D HN 0.806 nan 8.370 nan 0.000 0.482 370 H N -2.444 116.440 119.070 -0.311 0.000 2.932 370 H HA 0.731 5.286 4.556 -0.001 0.000 0.307 370 H C -1.243 173.862 175.328 -0.371 0.000 1.391 370 H CA -0.900 54.703 56.048 -0.742 0.000 1.130 370 H CB 0.775 30.223 29.762 -0.525 0.000 1.836 370 H HN 0.084 nan 8.280 nan 0.000 0.522 371 A N 0.196 122.998 122.820 -0.030 0.000 2.246 371 A HA 0.543 4.863 4.320 -0.001 0.000 0.291 371 A C -0.510 177.180 177.584 0.177 0.000 1.103 371 A CA -0.222 51.878 52.037 0.104 0.000 0.844 371 A CB 0.522 19.634 19.000 0.188 0.000 1.136 371 A HN 0.777 nan 8.150 nan 0.000 0.500 372 H N -2.033 117.087 119.070 0.083 0.000 3.218 372 H HA 0.647 5.203 4.556 -0.001 0.000 0.303 372 H C 1.074 176.451 175.328 0.081 0.000 1.605 372 H CA 0.211 56.310 56.048 0.085 0.000 1.298 372 H CB 1.769 31.546 29.762 0.025 0.000 1.856 372 H HN 0.595 nan 8.280 nan 0.000 0.656 373 A N 0.227 123.325 122.820 0.463 0.000 1.903 373 A HA 0.005 4.324 4.320 -0.001 0.000 0.213 373 A C 0.885 178.491 177.584 0.037 0.000 1.185 373 A CA 0.907 53.099 52.037 0.258 0.000 0.628 373 A CB -0.719 18.502 19.000 0.368 0.000 0.830 373 A HN 0.564 nan 8.150 nan 0.000 0.446 374 S N 0.479 116.118 115.700 -0.102 0.000 2.563 374 S HA 0.211 4.680 4.470 -0.001 0.000 0.294 374 S C -0.263 174.200 174.600 -0.228 0.000 1.279 374 S CA -0.001 57.940 58.200 -0.431 0.000 1.069 374 S CB 0.130 63.073 63.200 -0.428 0.000 0.828 374 S HN 0.511 nan 8.310 nan 0.000 0.497 375 Q N 2.215 121.862 119.800 -0.255 0.000 2.375 375 Q HA 0.515 4.855 4.340 -0.001 0.000 0.271 375 Q C -0.869 175.069 176.000 -0.103 0.000 1.074 375 Q CA -0.671 55.062 55.803 -0.117 0.000 0.808 375 Q CB 2.212 30.910 28.738 -0.066 0.000 1.327 375 Q HN 0.761 nan 8.270 nan 0.000 0.441 376 I N 3.133 123.675 120.570 -0.047 0.000 2.301 376 I HA 0.202 4.371 4.170 -0.001 0.000 0.292 376 I C 0.055 176.166 176.117 -0.011 0.000 1.046 376 I CA -0.509 60.780 61.300 -0.020 0.000 1.282 376 I CB 0.468 38.470 38.000 0.003 0.000 1.409 376 I HN 0.316 nan 8.210 nan 0.000 0.484 377 V N 3.392 123.301 119.914 -0.008 0.000 3.166 377 V HA 0.833 4.953 4.120 -0.001 0.000 0.317 377 V C 0.441 176.537 176.094 0.002 0.000 1.136 377 V CA -1.099 61.200 62.300 -0.002 0.000 1.035 377 V CB 1.478 33.300 31.823 -0.002 0.000 1.110 377 V HN 0.695 nan 8.190 nan 0.000 0.450 378 A N 1.110 123.931 122.820 0.001 0.000 2.466 378 A HA 0.470 4.790 4.320 -0.001 0.000 0.238 378 A C -1.323 176.259 177.584 -0.004 0.000 1.074 378 A CA -0.446 51.590 52.037 -0.001 0.000 0.774 378 A CB -0.553 18.445 19.000 -0.003 0.000 1.015 378 A HN 0.849 nan 8.150 nan 0.000 0.498 379 P HA -0.123 nan 4.420 nan 0.000 0.220 379 P C 0.478 177.766 177.300 -0.020 0.000 1.148 379 P CA 1.537 64.633 63.100 -0.007 0.000 0.803 379 P CB 0.093 31.790 31.700 -0.005 0.000 0.782 380 D N -2.502 117.883 120.400 -0.026 0.000 2.342 380 D HA 0.002 4.642 4.640 -0.001 0.000 0.221 380 D C -0.234 176.035 176.300 -0.053 0.000 1.101 380 D CA 0.134 54.109 54.000 -0.042 0.000 0.837 380 D CB -0.802 39.978 40.800 -0.034 0.000 0.938 380 D HN 0.013 nan 8.370 nan 0.000 0.508 381 T N 1.467 115.996 114.554 -0.041 0.000 2.867 381 T HA 0.047 4.396 4.350 -0.001 0.000 0.297 381 T C 0.373 175.031 174.700 -0.070 0.000 0.989 381 T CA 0.128 62.207 62.100 -0.036 0.000 1.159 381 T CB 1.115 69.976 68.868 -0.012 0.000 0.928 381 T HN 0.002 nan 8.240 nan 0.000 0.538 382 K N 2.724 123.086 120.400 -0.063 0.000 2.354 382 K HA 0.558 4.878 4.320 -0.001 0.000 0.257 382 K C -0.300 176.336 176.600 0.061 0.000 1.062 382 K CA -0.402 55.830 56.287 -0.093 0.000 0.971 382 K CB 1.311 33.737 32.500 -0.123 0.000 1.305 382 K HN 0.669 nan 8.250 nan 0.000 0.449 383 A N 3.235 126.116 122.820 0.103 0.000 2.311 383 A HA 0.524 4.844 4.320 -0.001 0.000 0.334 383 A C -1.698 176.018 177.584 0.221 0.000 1.139 383 A CA -1.311 50.808 52.037 0.136 0.000 0.830 383 A CB 0.548 19.607 19.000 0.098 0.000 1.234 383 A HN 0.432 nan 8.150 nan 0.000 0.483 384 P HA 0.056 nan 4.420 nan 0.000 0.236 384 P C 0.838 178.319 177.300 0.302 0.000 1.177 384 P CA 1.286 64.552 63.100 0.277 0.000 0.773 384 P CB 0.342 32.138 31.700 0.160 0.000 0.878 385 G N 0.220 109.171 108.800 0.251 0.000 3.019 385 G HA2 0.517 4.477 3.960 -0.001 0.000 0.152 385 G HA3 0.517 4.477 3.960 -0.001 0.000 0.152 385 G C -0.752 174.311 174.900 0.272 0.000 1.320 385 G CA -0.624 44.622 45.100 0.243 0.000 1.013 385 G HN 0.037 nan 8.290 nan 0.000 0.593 386 L N 1.517 122.883 121.223 0.239 0.000 2.275 386 L HA 0.494 4.834 4.340 -0.001 0.000 0.288 386 L C 0.276 177.297 176.870 0.251 0.000 1.046 386 L CA -0.498 54.478 54.840 0.226 0.000 0.805 386 L CB 1.418 43.595 42.059 0.197 0.000 1.193 386 L HN 0.689 nan 8.230 nan 0.000 0.426 387 T N 0.427 115.089 114.554 0.180 0.000 2.887 387 T HA 0.646 4.996 4.350 -0.001 0.000 0.292 387 T C -0.888 173.892 174.700 0.133 0.000 1.087 387 T CA -0.883 61.312 62.100 0.158 0.000 1.009 387 T CB 2.646 71.569 68.868 0.091 0.000 1.203 387 T HN 0.576 nan 8.240 nan 0.000 0.518 388 Q N -0.295 119.577 119.800 0.120 0.000 2.403 388 Q HA 0.591 4.930 4.340 -0.001 0.000 0.267 388 Q C -2.037 174.013 176.000 0.084 0.000 0.991 388 Q CA -0.918 54.945 55.803 0.099 0.000 0.906 388 Q CB 2.016 30.825 28.738 0.118 0.000 1.422 388 Q HN 1.176 nan 8.270 nan 0.000 0.400 389 A N 3.867 126.727 122.820 0.067 0.000 2.290 389 A HA 0.767 5.086 4.320 -0.001 0.000 0.310 389 A C -1.231 176.405 177.584 0.086 0.000 1.202 389 A CA -0.399 51.676 52.037 0.063 0.000 0.837 389 A CB 0.492 19.516 19.000 0.040 0.000 1.139 389 A HN 0.633 nan 8.150 nan 0.000 0.509 390 L N 1.982 123.273 121.223 0.113 0.000 2.362 390 L HA 0.374 4.714 4.340 -0.001 0.000 0.271 390 L C -0.165 176.796 176.870 0.152 0.000 1.002 390 L CA -0.460 54.489 54.840 0.182 0.000 0.818 390 L CB 2.234 44.465 42.059 0.286 0.000 1.298 390 L HN 0.777 nan 8.230 nan 0.000 0.420 391 N N 0.659 119.440 118.700 0.135 0.000 2.420 391 N HA 0.306 5.046 4.740 -0.001 0.000 0.249 391 N C -0.243 175.188 175.510 -0.132 0.000 1.033 391 N CA -0.381 52.675 53.050 0.009 0.000 0.944 391 N CB 1.078 39.558 38.487 -0.012 0.000 1.113 391 N HN 0.675 nan 8.380 nan 0.000 0.502 392 T N -1.175 113.279 114.554 -0.168 0.000 2.810 392 T HA 0.148 4.498 4.350 -0.001 0.000 0.277 392 T C 1.220 175.711 174.700 -0.348 0.000 0.973 392 T CA -0.600 61.280 62.100 -0.367 0.000 0.949 392 T CB 1.269 70.040 68.868 -0.163 0.000 1.075 392 T HN 0.319 nan 8.240 nan 0.000 0.537 393 K N -0.178 120.003 120.400 -0.365 0.000 2.280 393 K HA -0.130 4.190 4.320 -0.001 0.000 0.202 393 K C 1.025 177.540 176.600 -0.142 0.000 1.047 393 K CA 1.336 57.484 56.287 -0.231 0.000 0.942 393 K CB -0.238 32.159 32.500 -0.172 0.000 0.739 393 K HN 0.562 nan 8.250 nan 0.000 0.457 394 D N -0.559 119.768 120.400 -0.122 0.000 2.363 394 D HA -0.013 4.627 4.640 -0.001 0.000 0.220 394 D C 0.934 177.192 176.300 -0.070 0.000 0.994 394 D CA 1.017 54.970 54.000 -0.079 0.000 0.890 394 D CB 0.422 41.186 40.800 -0.061 0.000 0.906 394 D HN 0.475 nan 8.370 nan 0.000 0.530 395 G N 0.625 109.374 108.800 -0.086 0.000 2.136 395 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.242 395 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.242 395 G C 0.341 175.211 174.900 -0.049 0.000 0.989 395 G CA 0.315 45.375 45.100 -0.067 0.000 0.682 395 G HN 0.630 nan 8.290 nan 0.000 0.522 396 A N -1.218 121.573 122.820 -0.048 0.000 2.346 396 A HA 1.006 5.325 4.320 -0.001 0.000 0.313 396 A C 0.345 177.918 177.584 -0.019 0.000 1.140 396 A CA -0.014 52.006 52.037 -0.029 0.000 0.826 396 A CB 1.831 20.817 19.000 -0.024 0.000 1.332 396 A HN 1.865 nan 8.150 nan 0.000 0.457 397 V N -0.536 119.376 119.914 -0.003 0.000 2.532 397 V HA 0.791 4.911 4.120 -0.001 0.000 0.295 397 V C -0.285 175.825 176.094 0.026 0.000 1.041 397 V CA -0.592 61.717 62.300 0.015 0.000 0.926 397 V CB 1.176 33.010 31.823 0.018 0.000 0.992 397 V HN 1.049 nan 8.190 nan 0.000 0.457 398 M N 5.704 125.335 119.600 0.052 0.000 2.321 398 M HA 0.711 5.190 4.480 -0.001 0.000 0.315 398 M C -1.765 174.572 176.300 0.063 0.000 1.052 398 M CA -0.519 54.815 55.300 0.057 0.000 0.936 398 M CB 2.001 34.652 32.600 0.085 0.000 1.639 398 M HN 0.622 nan 8.290 nan 0.000 0.433 399 V N 6.094 126.033 119.914 0.042 0.000 2.427 399 V HA 0.468 4.588 4.120 -0.001 0.000 0.286 399 V C -0.231 175.881 176.094 0.030 0.000 1.034 399 V CA -0.419 61.905 62.300 0.040 0.000 0.893 399 V CB 1.671 33.508 31.823 0.023 0.000 0.982 399 V HN 0.951 nan 8.190 nan 0.000 0.452 400 M N 3.662 123.287 119.600 0.042 0.000 2.336 400 M HA 0.492 4.972 4.480 -0.001 0.000 0.342 400 M C -0.190 176.091 176.300 -0.032 0.000 1.128 400 M CA 0.050 55.341 55.300 -0.015 0.000 1.016 400 M CB 1.993 34.597 32.600 0.007 0.000 1.665 400 M HN 0.659 nan 8.290 nan 0.000 0.445 401 S N 2.270 117.868 115.700 -0.170 0.000 2.513 401 S HA 0.687 5.157 4.470 -0.001 0.000 0.299 401 S C -1.835 172.552 174.600 -0.356 0.000 1.087 401 S CA -0.508 57.627 58.200 -0.107 0.000 1.012 401 S CB 0.825 64.001 63.200 -0.039 0.000 1.044 401 S HN 0.526 nan 8.310 nan 0.000 0.485 402 Y N 1.962 122.304 120.300 0.070 0.000 2.426 402 Y HA 0.523 5.072 4.550 -0.000 0.000 0.325 402 Y C 0.931 176.884 175.900 0.090 0.000 0.989 402 Y CA -0.754 57.394 58.100 0.080 0.000 1.284 402 Y CB 1.821 40.327 38.460 0.076 0.000 1.104 402 Y HN 0.824 nan 8.280 nan 0.000 0.481 403 G N 1.419 110.317 108.800 0.162 0.000 4.110 403 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.292 403 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.292 403 G C 0.293 175.265 174.900 0.120 0.000 1.020 403 G CA -0.371 44.813 45.100 0.141 0.000 0.808 403 G HN 0.538 nan 8.290 nan 0.000 0.474 404 N N -0.341 118.440 118.700 0.135 0.000 2.238 404 N HA 0.199 4.939 4.740 -0.001 0.000 0.222 404 N C -0.221 175.355 175.510 0.109 0.000 1.133 404 N CA -0.343 52.776 53.050 0.114 0.000 0.854 404 N CB 0.814 39.370 38.487 0.116 0.000 1.041 404 N HN -0.001 nan 8.380 nan 0.000 0.510 405 S N -0.582 115.186 115.700 0.113 0.000 2.584 405 S HA 0.217 4.686 4.470 -0.001 0.000 0.280 405 S C -0.398 174.247 174.600 0.076 0.000 1.162 405 S CA -0.581 57.673 58.200 0.090 0.000 0.951 405 S CB 0.880 64.140 63.200 0.100 0.000 1.108 405 S HN 0.198 nan 8.310 nan 0.000 0.464 406 E N 1.728 121.958 120.200 0.050 0.000 2.478 406 E HA 0.050 4.399 4.350 -0.001 0.000 0.194 406 E C 0.542 177.156 176.600 0.024 0.000 1.045 406 E CA 0.103 56.521 56.400 0.031 0.000 0.868 406 E CB 0.272 29.981 29.700 0.014 0.000 0.885 406 E HN 0.525 nan 8.360 nan 0.000 0.505 407 E N 0.885 121.103 120.200 0.031 0.000 4.517 407 E HA 0.008 4.358 4.350 -0.001 0.000 0.408 407 E C 0.961 177.576 176.600 0.026 0.000 1.456 407 E CA 0.271 56.684 56.400 0.021 0.000 2.449 407 E CB 0.202 29.913 29.700 0.018 0.000 1.556 407 E HN 0.049 nan 8.360 nan 0.000 0.781 408 D N -0.415 119.997 120.400 0.020 0.000 2.323 408 D HA 0.002 4.641 4.640 -0.001 0.000 0.218 408 D C 0.372 176.695 176.300 0.039 0.000 0.973 408 D CA 0.350 54.361 54.000 0.020 0.000 0.890 408 D CB 0.347 41.149 40.800 0.004 0.000 1.011 408 D HN 0.006 nan 8.370 nan 0.000 0.499 409 S N 0.974 116.705 115.700 0.051 0.000 2.525 409 S HA 0.148 4.618 4.470 -0.001 0.000 0.278 409 S C -0.071 174.649 174.600 0.200 0.000 1.234 409 S CA -0.673 57.594 58.200 0.112 0.000 1.058 409 S CB 1.113 64.331 63.200 0.029 0.000 0.983 409 S HN -0.068 nan 8.310 nan 0.000 0.495 410 Q N 2.794 122.774 119.800 0.299 0.000 2.340 410 Q HA 0.323 4.663 4.340 -0.001 0.000 0.249 410 Q C -0.053 176.201 176.000 0.422 0.000 0.957 410 Q CA 0.105 56.101 55.803 0.322 0.000 0.882 410 Q CB 0.731 29.677 28.738 0.346 0.000 1.235 410 Q HN 0.678 nan 8.270 nan 0.000 0.439 411 E N 0.525 120.892 120.200 0.277 0.000 2.250 411 E HA 0.245 4.594 4.350 -0.001 0.000 0.265 411 E C -0.465 176.192 176.600 0.096 0.000 1.033 411 E CA -0.536 55.965 56.400 0.169 0.000 0.888 411 E CB 0.925 30.678 29.700 0.088 0.000 1.151 411 E HN 0.456 nan 8.360 nan 0.000 0.412 412 H N -0.136 118.803 119.070 -0.217 0.000 2.671 412 H HA 0.159 4.715 4.556 -0.001 0.000 0.372 412 H C 0.143 175.424 175.328 -0.078 0.000 1.227 412 H CA -0.194 55.650 56.048 -0.340 0.000 1.426 412 H CB 0.882 30.385 29.762 -0.432 0.000 1.480 412 H HN 0.464 nan 8.280 nan 0.000 0.611 413 T N -2.015 112.620 114.554 0.135 0.000 2.887 413 T HA 0.382 4.731 4.350 -0.001 0.000 0.292 413 T C 0.942 175.787 174.700 0.243 0.000 1.087 413 T CA -0.603 61.596 62.100 0.165 0.000 1.009 413 T CB 1.620 70.576 68.868 0.147 0.000 1.203 413 T HN 0.618 nan 8.240 nan 0.000 0.518 414 G N 0.103 109.045 108.800 0.237 0.000 3.189 414 G HA2 0.281 4.241 3.960 -0.001 0.000 0.225 414 G HA3 0.281 4.241 3.960 -0.001 0.000 0.225 414 G C 0.516 175.554 174.900 0.229 0.000 1.159 414 G CA -0.066 45.212 45.100 0.297 0.000 0.763 414 G HN 0.883 nan 8.290 nan 0.000 0.549 415 S N 0.810 116.642 115.700 0.221 0.000 2.560 415 S HA 0.165 4.635 4.470 -0.001 0.000 0.284 415 S C 1.000 175.731 174.600 0.219 0.000 1.327 415 S CA -0.489 57.811 58.200 0.166 0.000 1.055 415 S CB 0.356 63.645 63.200 0.148 0.000 0.868 415 S HN 0.617 nan 8.310 nan 0.000 0.506 416 Q N 2.760 122.628 119.800 0.113 0.000 2.479 416 Q HA 0.392 4.732 4.340 -0.001 0.000 0.267 416 Q C -0.335 175.815 176.000 0.250 0.000 1.071 416 Q CA -0.287 55.604 55.803 0.146 0.000 0.935 416 Q CB 0.068 28.873 28.738 0.112 0.000 1.295 416 Q HN 0.580 nan 8.270 nan 0.000 0.476 417 L N -2.489 118.929 121.223 0.324 0.000 2.502 417 L HA 0.605 4.945 4.340 -0.001 0.000 0.253 417 L C -0.442 176.500 176.870 0.120 0.000 1.070 417 L CA -1.444 53.528 54.840 0.219 0.000 0.871 417 L CB 1.373 43.562 42.059 0.217 0.000 1.487 417 L HN 0.705 nan 8.230 nan 0.000 0.408 418 R N 0.683 121.199 120.500 0.026 0.000 2.623 418 R HA 0.581 4.920 4.340 -0.001 0.000 0.271 418 R C -1.097 175.084 176.300 -0.198 0.000 1.043 418 R CA 0.016 56.083 56.100 -0.055 0.000 1.083 418 R CB 0.367 30.643 30.300 -0.041 0.000 0.974 418 R HN 0.834 nan 8.270 nan 0.000 0.436 419 I N 2.651 123.086 120.570 -0.225 0.000 2.569 419 I HA 0.568 4.737 4.170 -0.001 0.000 0.290 419 I C -1.632 174.384 176.117 -0.169 0.000 1.088 419 I CA -0.436 60.665 61.300 -0.331 0.000 1.047 419 I CB 2.012 39.669 38.000 -0.572 0.000 1.237 419 I HN 0.809 nan 8.210 nan 0.000 0.421 420 A N 5.512 128.248 122.820 -0.141 0.000 2.498 420 A HA 1.018 5.337 4.320 -0.001 0.000 0.298 420 A C -1.365 176.188 177.584 -0.051 0.000 1.075 420 A CA -0.090 51.905 52.037 -0.070 0.000 0.714 420 A CB 1.843 20.811 19.000 -0.053 0.000 1.299 420 A HN 1.171 nan 8.150 nan 0.000 0.407 421 A N 0.030 122.850 122.820 -0.002 0.000 2.602 421 A HA 0.833 5.153 4.320 -0.001 0.000 0.290 421 A C -1.804 175.847 177.584 0.111 0.000 1.114 421 A CA -0.418 51.636 52.037 0.029 0.000 0.683 421 A CB 1.153 20.155 19.000 0.003 0.000 1.281 421 A HN 2.072 nan 8.150 nan 0.000 0.416 422 Y N -0.197 120.089 120.300 -0.023 0.000 2.479 422 Y HA 0.595 5.144 4.550 -0.001 0.000 0.338 422 Y C 0.126 176.019 175.900 -0.012 0.000 1.055 422 Y CA 0.499 58.590 58.100 -0.015 0.000 1.023 422 Y CB 1.595 40.046 38.460 -0.015 0.000 1.287 422 Y HN 2.441 nan 8.280 nan 0.000 0.447 423 G N 4.448 112.751 108.800 -0.828 0.000 2.434 423 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.671 423 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.671 423 G C -3.203 171.526 174.900 -0.285 0.000 1.280 423 G CA -0.835 43.882 45.100 -0.639 0.000 0.975 423 G HN 0.566 nan 8.290 nan 0.000 0.510 424 P HA 0.164 nan 4.420 nan 0.000 0.264 424 P C 0.373 177.720 177.300 0.078 0.000 1.193 424 P CA 1.149 64.217 63.100 -0.053 0.000 0.763 424 P CB -0.021 31.697 31.700 0.031 0.000 0.810 425 H N 0.712 119.735 119.070 -0.078 0.000 3.428 425 H HA -0.195 4.361 4.556 -0.001 0.000 0.204 425 H C 1.225 176.528 175.328 -0.041 0.000 1.078 425 H CA 0.933 56.952 56.048 -0.048 0.000 1.183 425 H CB -1.815 27.926 29.762 -0.035 0.000 1.132 425 H HN 0.601 nan 8.280 nan 0.000 0.323 426 A N 0.943 123.762 122.820 -0.001 0.000 2.121 426 A HA 0.209 4.529 4.320 -0.001 0.000 0.218 426 A C 2.497 180.079 177.584 -0.003 0.000 1.154 426 A CA 1.521 53.554 52.037 -0.006 0.000 0.679 426 A CB -0.435 18.541 19.000 -0.040 0.000 0.795 426 A HN 0.545 nan 8.150 nan 0.000 0.458 427 A N 0.583 123.390 122.820 -0.023 0.000 2.076 427 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 427 A C 1.612 179.204 177.584 0.013 0.000 1.160 427 A CA 1.427 53.455 52.037 -0.015 0.000 0.653 427 A CB -0.541 18.436 19.000 -0.039 0.000 0.801 427 A HN 0.570 nan 8.150 nan 0.000 0.455 428 N N 0.137 118.858 118.700 0.035 0.000 2.521 428 N HA -0.052 4.688 4.740 -0.001 0.000 0.188 428 N C 1.341 176.891 175.510 0.067 0.000 1.146 428 N CA 1.296 54.383 53.050 0.063 0.000 0.893 428 N CB 0.330 38.876 38.487 0.098 0.000 0.975 428 N HN 0.596 nan 8.380 nan 0.000 0.451 429 V N -2.975 116.965 119.914 0.044 0.000 3.660 429 V HA 0.215 4.334 4.120 -0.001 0.000 0.276 429 V C 0.827 176.937 176.094 0.026 0.000 1.317 429 V CA -0.084 62.234 62.300 0.031 0.000 1.097 429 V CB -0.118 31.699 31.823 -0.009 0.000 0.863 429 V HN -0.232 nan 8.190 nan 0.000 0.438 430 V N 2.507 122.438 119.914 0.029 0.000 2.775 430 V HA 0.734 4.854 4.120 -0.001 0.000 0.299 430 V C 1.303 177.421 176.094 0.039 0.000 1.062 430 V CA 0.846 63.163 62.300 0.027 0.000 1.063 430 V CB -0.057 31.779 31.823 0.021 0.000 0.994 430 V HN 1.052 nan 8.190 nan 0.000 0.483 431 G N 2.965 111.788 108.800 0.039 0.000 2.593 431 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.237 431 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.237 431 G C -0.846 174.093 174.900 0.065 0.000 1.312 431 G CA 0.020 45.148 45.100 0.047 0.000 0.896 431 G HN 1.165 nan 8.290 nan 0.000 0.574 432 L N 1.609 122.874 121.223 0.071 0.000 2.292 432 L HA 0.771 5.110 4.340 -0.001 0.000 0.284 432 L C 1.010 177.947 176.870 0.112 0.000 1.065 432 L CA 1.044 55.941 54.840 0.094 0.000 0.806 432 L CB 1.215 43.322 42.059 0.080 0.000 1.175 432 L HN 1.568 nan 8.230 nan 0.000 0.431 433 T N 0.300 114.949 114.554 0.158 0.000 2.812 433 T HA 0.561 4.911 4.350 -0.001 0.000 0.294 433 T C -0.985 173.829 174.700 0.191 0.000 1.159 433 T CA -0.862 61.341 62.100 0.171 0.000 1.008 433 T CB 1.373 70.359 68.868 0.196 0.000 1.289 433 T HN 0.592 nan 8.240 nan 0.000 0.514 434 D N -0.985 119.504 120.400 0.148 0.000 2.272 434 D HA 0.309 4.949 4.640 -0.001 0.000 0.247 434 D C 1.242 177.552 176.300 0.016 0.000 0.990 434 D CA -0.652 53.376 54.000 0.048 0.000 0.931 434 D CB 2.078 42.893 40.800 0.026 0.000 1.195 434 D HN 0.681 nan 8.370 nan 0.000 0.477 435 Q N 0.315 119.956 119.800 -0.266 0.000 2.181 435 Q HA -0.183 4.157 4.340 -0.001 0.000 0.205 435 Q C 1.459 177.520 176.000 0.103 0.000 0.980 435 Q CA 2.146 57.781 55.803 -0.280 0.000 0.862 435 Q CB -0.038 28.456 28.738 -0.408 0.000 0.905 435 Q HN 0.732 nan 8.270 nan 0.000 0.429 436 T N -2.275 112.322 114.554 0.071 0.000 2.995 436 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 436 T C 1.227 176.147 174.700 0.367 0.000 1.091 436 T CA 1.021 63.231 62.100 0.183 0.000 1.128 436 T CB -0.152 68.781 68.868 0.109 0.000 0.891 436 T HN 0.226 nan 8.240 nan 0.000 0.492 437 D N 0.967 121.544 120.400 0.295 0.000 2.218 437 D HA -0.031 4.609 4.640 -0.001 0.000 0.204 437 D C 1.886 178.400 176.300 0.356 0.000 0.976 437 D CA 0.564 54.765 54.000 0.334 0.000 0.853 437 D CB -0.112 40.825 40.800 0.229 0.000 0.939 437 D HN 0.303 nan 8.370 nan 0.000 0.481 438 L N 0.287 121.721 121.223 0.351 0.000 2.141 438 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 438 L C 1.974 179.014 176.870 0.284 0.000 1.094 438 L CA 1.223 56.251 54.840 0.313 0.000 0.763 438 L CB -0.754 41.523 42.059 0.363 0.000 0.908 438 L HN -0.068 nan 8.230 nan 0.000 0.437 439 F N -0.776 119.267 119.950 0.154 0.000 2.075 439 F HA -0.266 4.260 4.527 -0.001 0.000 0.297 439 F C 2.078 177.794 175.800 -0.139 0.000 1.113 439 F CA 1.710 59.692 58.000 -0.029 0.000 1.218 439 F CB -0.616 38.267 39.000 -0.195 0.000 0.984 439 F HN 0.130 nan 8.300 nan 0.000 0.472 440 Y N 0.664 121.053 120.300 0.149 0.000 2.207 440 Y HA -0.223 4.327 4.550 -0.001 0.000 0.287 440 Y C 2.720 178.583 175.900 -0.062 0.000 1.156 440 Y CA 1.980 60.082 58.100 0.004 0.000 1.182 440 Y CB -1.395 37.153 38.460 0.147 0.000 0.979 440 Y HN 0.044 nan 8.280 nan 0.000 0.521 441 T N 0.059 114.691 114.554 0.131 0.000 2.746 441 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 441 T C 1.928 176.602 174.700 -0.044 0.000 1.039 441 T CA 1.691 63.835 62.100 0.074 0.000 1.142 441 T CB -0.318 68.617 68.868 0.112 0.000 0.866 441 T HN 0.296 nan 8.240 nan 0.000 0.444 442 M N 0.675 120.230 119.600 -0.076 0.000 2.132 442 M HA -0.043 4.437 4.480 -0.001 0.000 0.263 442 M C 2.445 178.616 176.300 -0.215 0.000 1.065 442 M CA 1.422 56.660 55.300 -0.103 0.000 1.122 442 M CB -0.397 32.193 32.600 -0.017 0.000 1.365 442 M HN 0.126 nan 8.290 nan 0.000 0.411 443 K N 0.935 121.112 120.400 -0.372 0.000 2.057 443 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 443 K C 1.972 178.432 176.600 -0.233 0.000 1.049 443 K CA 1.615 57.667 56.287 -0.392 0.000 0.931 443 K CB -0.097 32.003 32.500 -0.667 0.000 0.714 443 K HN 0.257 nan 8.250 nan 0.000 0.440 444 A N 0.993 123.701 122.820 -0.186 0.000 1.898 444 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 444 A C 2.335 179.722 177.584 -0.330 0.000 1.181 444 A CA 1.726 53.667 52.037 -0.159 0.000 0.620 444 A CB -0.776 18.192 19.000 -0.053 0.000 0.819 444 A HN 0.499 nan 8.150 nan 0.000 0.442 445 A N -0.358 122.180 122.820 -0.471 0.000 1.933 445 A HA -0.007 4.312 4.320 -0.001 0.000 0.218 445 A C 2.005 179.367 177.584 -0.369 0.000 1.175 445 A CA 1.465 53.050 52.037 -0.753 0.000 0.628 445 A CB -0.518 18.191 19.000 -0.484 0.000 0.814 445 A HN 0.464 nan 8.150 nan 0.000 0.444 446 L N -1.174 119.916 121.223 -0.223 0.000 2.554 446 L HA 0.171 4.511 4.340 -0.001 0.000 0.226 446 L C 1.637 178.440 176.870 -0.112 0.000 1.137 446 L CA 0.478 55.238 54.840 -0.133 0.000 0.863 446 L CB -0.250 41.754 42.059 -0.091 0.000 0.985 446 L HN 0.582 nan 8.230 nan 0.000 0.451 447 G N 0.698 109.419 108.800 -0.132 0.000 2.160 447 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.251 447 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.251 447 G C 0.266 175.128 174.900 -0.063 0.000 1.008 447 G CA -0.107 44.945 45.100 -0.081 0.000 0.724 447 G HN 0.233 nan 8.290 nan 0.000 0.514 448 L N -0.578 120.594 121.223 -0.085 0.000 2.452 448 L HA 0.416 4.756 4.340 -0.001 0.000 0.267 448 L C 0.906 177.748 176.870 -0.047 0.000 1.188 448 L CA -0.286 54.511 54.840 -0.070 0.000 0.821 448 L CB 0.439 42.433 42.059 -0.108 0.000 1.102 448 L HN -0.029 nan 8.230 nan 0.000 0.470 449 K N 0.000 120.388 120.400 -0.020 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 449 K CA 0.000 56.291 56.287 0.006 0.000 0.838 449 K CB 0.000 32.507 32.500 0.011 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543