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 2g9y_1_B DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DTAASATAWS 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 0.000 174.702 174.700 0.004 0.000 1.109 1 T CA 0.000 62.101 62.100 0.001 0.000 1.349 1 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 2 P HA 0.199 nan 4.420 nan 0.000 0.256 2 P C 1.228 178.545 177.300 0.029 0.000 1.189 2 P CA -0.131 62.981 63.100 0.020 0.000 0.808 2 P CB 0.641 32.364 31.700 0.039 0.000 0.793 3 E N 2.155 122.360 120.200 0.009 0.000 2.132 3 E HA -0.215 4.135 4.350 -0.000 0.000 0.218 3 E C 0.542 177.153 176.600 0.019 0.000 1.058 3 E CA 1.467 57.869 56.400 0.002 0.000 0.882 3 E CB -0.184 29.504 29.700 -0.020 0.000 0.774 3 E HN 0.573 nan 8.360 nan 0.000 0.467 4 M N 2.114 121.728 119.600 0.025 0.000 2.156 4 M HA 0.160 4.640 4.480 -0.000 0.000 0.345 4 M C -2.232 174.222 176.300 0.257 0.000 1.398 4 M CA -1.531 53.806 55.300 0.061 0.000 1.148 4 M CB 0.723 33.242 32.600 -0.136 0.000 1.663 4 M HN -0.212 nan 8.290 nan 0.000 0.464 5 P HA 0.272 nan 4.420 nan 0.000 0.277 5 P C -0.869 176.545 177.300 0.190 0.000 1.240 5 P CA -0.488 62.711 63.100 0.165 0.000 0.798 5 P CB 0.891 32.642 31.700 0.085 0.000 0.979 6 V N 3.681 123.599 119.914 0.007 0.000 2.459 6 V HA 0.203 4.323 4.120 -0.000 0.000 0.295 6 V C 0.409 176.506 176.094 0.004 0.000 1.029 6 V CA -0.857 61.373 62.300 -0.116 0.000 0.874 6 V CB 1.259 32.902 31.823 -0.300 0.000 0.985 6 V HN 0.417 nan 8.190 nan 0.000 0.438 7 L N 3.704 124.965 121.223 0.064 0.000 2.700 7 L HA -0.037 4.303 4.340 -0.000 0.000 0.272 7 L C 1.610 178.560 176.870 0.134 0.000 1.176 7 L CA 0.278 55.178 54.840 0.100 0.000 0.961 7 L CB 0.068 42.230 42.059 0.172 0.000 1.249 7 L HN 0.787 nan 8.230 nan 0.000 0.487 8 E N 3.331 123.542 120.200 0.018 0.000 2.028 8 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 8 E C 0.363 176.902 176.600 -0.102 0.000 0.988 8 E CA 1.156 57.558 56.400 0.004 0.000 0.799 8 E CB 0.261 29.943 29.700 -0.030 0.000 0.755 8 E HN 0.639 nan 8.360 nan 0.000 0.447 9 N N -0.681 117.794 118.700 -0.375 0.000 2.655 9 N HA 0.169 4.909 4.740 -0.000 0.000 0.277 9 N C -1.499 173.515 175.510 -0.827 0.000 1.177 9 N CA -0.237 52.375 53.050 -0.730 0.000 0.882 9 N CB 0.670 38.969 38.487 -0.314 0.000 1.481 9 N HN -0.048 nan 8.380 nan 0.000 0.547 10 R N 1.636 121.256 120.500 -1.467 0.000 2.767 10 R HA 0.457 4.797 4.340 -0.000 0.000 0.377 10 R C -0.148 175.939 176.300 -0.355 0.000 1.151 10 R CA -0.371 55.335 56.100 -0.657 0.000 1.046 10 R CB 0.700 30.792 30.300 -0.347 0.000 1.404 10 R HN 0.487 nan 8.270 nan 0.000 0.580 11 A N 0.733 123.358 122.820 -0.325 0.000 2.257 11 A HA 0.671 4.991 4.320 -0.000 0.000 0.289 11 A C 0.218 177.753 177.584 -0.082 0.000 1.095 11 A CA -0.474 51.511 52.037 -0.086 0.000 0.836 11 A CB 0.501 19.482 19.000 -0.032 0.000 1.111 11 A HN 0.376 nan 8.150 nan 0.000 0.497 12 A N 0.256 123.051 122.820 -0.042 0.000 2.566 12 A HA 0.247 4.567 4.320 -0.000 0.000 0.245 12 A C 0.925 178.481 177.584 -0.048 0.000 1.056 12 A CA -0.031 51.983 52.037 -0.039 0.000 0.757 12 A CB 0.041 19.025 19.000 -0.027 0.000 0.979 12 A HN 0.763 nan 8.150 nan 0.000 0.508 13 Q N 1.559 121.330 119.800 -0.050 0.000 2.369 13 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 13 Q C 1.105 177.083 176.000 -0.037 0.000 0.963 13 Q CA 1.351 57.124 55.803 -0.050 0.000 0.894 13 Q CB 0.195 28.903 28.738 -0.050 0.000 0.965 13 Q HN 0.965 nan 8.270 nan 0.000 0.475 14 G N -0.258 108.524 108.800 -0.031 0.000 3.008 14 G HA2 0.035 3.994 3.960 -0.000 0.000 0.148 14 G HA3 0.035 3.994 3.960 -0.000 0.000 0.148 14 G C -1.469 173.418 174.900 -0.022 0.000 1.184 14 G CA -0.439 44.646 45.100 -0.025 0.000 1.087 14 G HN 0.046 nan 8.290 nan 0.000 0.602 15 D N 1.626 122.015 120.400 -0.019 0.000 2.352 15 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 15 D C 2.032 178.322 176.300 -0.017 0.000 1.224 15 D CA -0.502 53.487 54.000 -0.017 0.000 0.879 15 D CB 0.452 41.243 40.800 -0.015 0.000 1.057 15 D HN 0.426 nan 8.370 nan 0.000 0.491 16 I N 1.407 121.967 120.570 -0.017 0.000 2.700 16 I HA -0.166 4.004 4.170 -0.000 0.000 0.261 16 I C 1.507 177.616 176.117 -0.013 0.000 1.219 16 I CA 1.246 62.537 61.300 -0.016 0.000 1.463 16 I CB -0.625 37.365 38.000 -0.016 0.000 1.092 16 I HN 0.304 nan 8.210 nan 0.000 0.452 17 T N -1.281 113.266 114.554 -0.013 0.000 3.100 17 T HA 0.485 4.835 4.350 -0.000 0.000 0.253 17 T C 0.779 175.473 174.700 -0.011 0.000 1.118 17 T CA 0.158 62.251 62.100 -0.011 0.000 1.058 17 T CB -0.190 68.671 68.868 -0.011 0.000 0.953 17 T HN 0.436 nan 8.240 nan 0.000 0.515 18 A N 1.977 124.790 122.820 -0.012 0.000 2.306 18 A HA 0.736 5.056 4.320 -0.000 0.000 0.330 18 A C -2.745 174.832 177.584 -0.011 0.000 1.146 18 A CA -2.272 49.759 52.037 -0.011 0.000 0.827 18 A CB 0.454 19.447 19.000 -0.012 0.000 1.178 18 A HN 0.197 nan 8.150 nan 0.000 0.490 19 P HA 0.239 nan 4.420 nan 0.000 0.261 19 P C 0.999 178.292 177.300 -0.011 0.000 1.183 19 P CA 2.048 65.142 63.100 -0.010 0.000 0.761 19 P CB 0.489 32.184 31.700 -0.009 0.000 0.785 20 G N 3.125 111.918 108.800 -0.012 0.000 2.212 20 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.266 20 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.266 20 G C 1.287 176.177 174.900 -0.017 0.000 0.978 20 G CA 0.318 45.410 45.100 -0.014 0.000 0.632 20 G HN 0.732 nan 8.290 nan 0.000 0.537 21 G N 0.233 109.023 108.800 -0.016 0.000 2.471 21 G HA2 0.292 4.252 3.960 -0.000 0.000 0.219 21 G HA3 0.292 4.252 3.960 -0.000 0.000 0.219 21 G C 1.545 176.433 174.900 -0.021 0.000 1.125 21 G CA 1.988 47.077 45.100 -0.019 0.000 0.775 21 G HN 1.625 nan 8.290 nan 0.000 0.548 22 A N -0.102 122.707 122.820 -0.018 0.000 2.348 22 A HA 0.412 4.732 4.320 -0.000 0.000 0.224 22 A C 1.223 178.795 177.584 -0.021 0.000 1.227 22 A CA -0.487 51.539 52.037 -0.018 0.000 0.885 22 A CB 0.084 19.076 19.000 -0.013 0.000 0.933 22 A HN 0.302 nan 8.150 nan 0.000 0.506 23 R N 0.180 120.666 120.500 -0.023 0.000 2.585 23 R HA 0.160 4.500 4.340 -0.000 0.000 0.275 23 R C 0.577 176.854 176.300 -0.039 0.000 1.018 23 R CA 0.182 56.267 56.100 -0.026 0.000 1.072 23 R CB 0.379 30.663 30.300 -0.026 0.000 0.953 23 R HN 0.352 nan 8.270 nan 0.000 0.419 24 R N 1.929 122.406 120.500 -0.039 0.000 2.290 24 R HA 0.186 4.526 4.340 -0.000 0.000 0.197 24 R C 0.103 176.356 176.300 -0.078 0.000 0.913 24 R CA 0.248 56.309 56.100 -0.064 0.000 1.040 24 R CB 0.319 30.593 30.300 -0.044 0.000 0.992 24 R HN 0.387 nan 8.270 nan 0.000 0.500 25 L N 0.413 121.605 121.223 -0.052 0.000 2.325 25 L HA 0.299 4.639 4.340 -0.000 0.000 0.278 25 L C 1.143 177.986 176.870 -0.045 0.000 1.023 25 L CA -0.375 54.436 54.840 -0.048 0.000 0.811 25 L CB 1.965 44.006 42.059 -0.029 0.000 1.249 25 L HN 0.046 nan 8.230 nan 0.000 0.431 26 T N -2.564 111.962 114.554 -0.046 0.000 3.001 26 T HA 0.427 4.777 4.350 -0.000 0.000 0.251 26 T C 0.517 175.200 174.700 -0.029 0.000 1.040 26 T CA 0.188 62.264 62.100 -0.039 0.000 0.985 26 T CB 0.689 69.530 68.868 -0.045 0.000 1.011 26 T HN 0.761 nan 8.240 nan 0.000 0.509 27 G N 0.295 109.079 108.800 -0.026 0.000 2.495 27 G HA2 0.436 4.396 3.960 -0.000 0.000 0.294 27 G HA3 0.436 4.396 3.960 -0.000 0.000 0.294 27 G C -2.084 172.807 174.900 -0.015 0.000 1.397 27 G CA -0.872 44.217 45.100 -0.019 0.000 0.790 27 G HN 0.145 nan 8.290 nan 0.000 0.486 28 D N -0.540 119.853 120.400 -0.011 0.000 2.472 28 D HA 0.248 4.887 4.640 -0.000 0.000 0.237 28 D C 1.078 177.374 176.300 -0.006 0.000 1.141 28 D CA 0.359 54.355 54.000 -0.007 0.000 0.875 28 D CB 0.862 41.658 40.800 -0.006 0.000 1.192 28 D HN 0.187 nan 8.370 nan 0.000 0.450 29 Q N 1.876 121.674 119.800 -0.003 0.000 2.282 29 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 29 Q C 1.539 177.541 176.000 0.003 0.000 0.878 29 Q CA 0.149 55.952 55.803 0.000 0.000 0.944 29 Q CB 0.468 29.207 28.738 0.003 0.000 1.100 29 Q HN 0.555 nan 8.270 nan 0.000 0.509 30 T N 1.386 115.940 114.554 0.001 0.000 2.635 30 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 30 T C 1.887 176.587 174.700 0.000 0.000 1.040 30 T CA 1.828 63.928 62.100 0.001 0.000 1.156 30 T CB -0.112 68.755 68.868 -0.001 0.000 0.863 30 T HN 0.421 nan 8.240 nan 0.000 0.430 31 A N 1.432 124.251 122.820 -0.001 0.000 1.902 31 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 31 A C 2.665 180.250 177.584 0.001 0.000 1.181 31 A CA 1.928 53.964 52.037 -0.002 0.000 0.623 31 A CB -1.150 17.848 19.000 -0.003 0.000 0.818 31 A HN 0.528 nan 8.150 nan 0.000 0.443 32 A N -0.388 122.434 122.820 0.004 0.000 1.902 32 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 32 A C 2.172 179.766 177.584 0.015 0.000 1.181 32 A CA 1.472 53.516 52.037 0.012 0.000 0.623 32 A CB -0.542 18.465 19.000 0.013 0.000 0.818 32 A HN 0.472 nan 8.150 nan 0.000 0.443 33 L N -1.368 119.862 121.223 0.011 0.000 2.093 33 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 33 L C 2.872 179.742 176.870 -0.001 0.000 1.085 33 L CA 1.213 56.059 54.840 0.010 0.000 0.755 33 L CB -0.441 41.623 42.059 0.009 0.000 0.904 33 L HN 0.385 nan 8.230 nan 0.000 0.435 34 R N 0.036 120.533 120.500 -0.004 0.000 2.081 34 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 34 R C 1.693 177.982 176.300 -0.018 0.000 1.131 34 R CA 1.588 57.681 56.100 -0.012 0.000 0.960 34 R CB -0.259 30.035 30.300 -0.011 0.000 0.856 34 R HN 0.329 nan 8.270 nan 0.000 0.436 35 D N -0.387 120.007 120.400 -0.010 0.000 2.350 35 D HA -0.051 4.589 4.640 -0.000 0.000 0.216 35 D C 1.192 177.480 176.300 -0.021 0.000 0.968 35 D CA 0.967 54.960 54.000 -0.012 0.000 0.894 35 D CB 0.086 40.888 40.800 0.003 0.000 0.909 35 D HN 0.061 nan 8.370 nan 0.000 0.520 36 S N -0.403 115.286 115.700 -0.017 0.000 2.548 36 S HA 0.157 4.627 4.470 -0.000 0.000 0.215 36 S C 0.859 175.412 174.600 -0.078 0.000 0.976 36 S CA -0.158 58.022 58.200 -0.034 0.000 0.908 36 S CB 0.592 63.799 63.200 0.012 0.000 0.781 36 S HN 0.178 nan 8.310 nan 0.000 0.519 37 L N 1.920 123.102 121.223 -0.069 0.000 2.264 37 L HA 0.565 4.905 4.340 -0.000 0.000 0.289 37 L C -0.033 176.769 176.870 -0.113 0.000 1.044 37 L CA -0.293 54.495 54.840 -0.086 0.000 0.807 37 L CB 1.448 43.472 42.059 -0.058 0.000 1.192 37 L HN 0.016 nan 8.230 nan 0.000 0.425 38 S N 0.927 116.529 115.700 -0.164 0.000 2.546 38 S HA 0.362 4.832 4.470 -0.000 0.000 0.272 38 S C -0.511 173.893 174.600 -0.326 0.000 1.140 38 S CA -0.747 57.336 58.200 -0.194 0.000 0.920 38 S CB 1.533 64.624 63.200 -0.182 0.000 1.083 38 S HN 0.718 nan 8.310 nan 0.000 0.476 39 D N 2.228 122.434 120.400 -0.323 0.000 2.395 39 D HA 0.134 4.774 4.640 -0.000 0.000 0.213 39 D C 0.481 176.565 176.300 -0.361 0.000 1.110 39 D CA -0.294 53.383 54.000 -0.538 0.000 0.835 39 D CB -0.087 40.572 40.800 -0.235 0.000 0.965 39 D HN 0.668 nan 8.370 nan 0.000 0.505 40 K N 0.309 120.582 120.400 -0.213 0.000 2.336 40 K HA 0.251 4.571 4.320 -0.000 0.000 0.262 40 K C -2.403 174.210 176.600 0.022 0.000 0.992 40 K CA -1.286 54.960 56.287 -0.069 0.000 0.927 40 K CB -0.337 32.122 32.500 -0.069 0.000 0.956 40 K HN -0.176 nan 8.250 nan 0.000 0.495 41 P HA -0.038 nan 4.420 nan 0.000 0.267 41 P C -1.196 176.144 177.300 0.067 0.000 1.200 41 P CA 0.014 63.174 63.100 0.100 0.000 0.772 41 P CB 0.738 32.463 31.700 0.043 0.000 0.855 42 A N 2.943 125.808 122.820 0.075 0.000 2.252 42 A HA 0.205 4.525 4.320 -0.000 0.000 0.309 42 A C 1.326 178.898 177.584 -0.021 0.000 1.285 42 A CA -0.407 51.645 52.037 0.025 0.000 0.900 42 A CB 0.023 19.045 19.000 0.037 0.000 1.157 42 A HN 0.593 nan 8.150 nan 0.000 0.536 43 K N 2.253 122.628 120.400 -0.043 0.000 2.062 43 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 43 K C 0.007 176.530 176.600 -0.129 0.000 1.051 43 K CA 1.101 57.354 56.287 -0.056 0.000 0.941 43 K CB -0.018 32.457 32.500 -0.041 0.000 0.719 43 K HN 0.803 nan 8.250 nan 0.000 0.440 44 N N -0.105 118.471 118.700 -0.206 0.000 2.321 44 N HA 0.374 5.114 4.740 -0.000 0.000 0.290 44 N C -1.145 174.204 175.510 -0.269 0.000 1.212 44 N CA -0.532 52.247 53.050 -0.452 0.000 0.767 44 N CB 2.084 40.018 38.487 -0.921 0.000 1.494 44 N HN -0.021 nan 8.380 nan 0.000 0.479 45 I N 1.377 121.787 120.570 -0.268 0.000 2.534 45 I HA 0.420 4.590 4.170 -0.000 0.000 0.288 45 I C -0.818 175.220 176.117 -0.131 0.000 1.077 45 I CA -0.508 60.738 61.300 -0.090 0.000 1.051 45 I CB 2.205 40.248 38.000 0.071 0.000 1.234 45 I HN 0.275 nan 8.210 nan 0.000 0.425 46 I N 6.842 127.370 120.570 -0.071 0.000 2.411 46 I HA 0.292 4.462 4.170 -0.000 0.000 0.284 46 I C -0.983 175.068 176.117 -0.111 0.000 1.012 46 I CA -0.719 60.531 61.300 -0.085 0.000 1.119 46 I CB 1.946 39.957 38.000 0.019 0.000 1.261 46 I HN 0.281 nan 8.210 nan 0.000 0.448 47 L N 8.660 129.768 121.223 -0.192 0.000 2.276 47 L HA 0.540 4.880 4.340 -0.000 0.000 0.286 47 L C -1.184 175.584 176.870 -0.170 0.000 1.024 47 L CA -0.181 54.563 54.840 -0.160 0.000 0.826 47 L CB 0.975 42.963 42.059 -0.119 0.000 1.211 47 L HN 0.407 nan 8.230 nan 0.000 0.422 48 L N 6.597 127.719 121.223 -0.168 0.000 2.287 48 L HA 0.519 4.859 4.340 -0.000 0.000 0.287 48 L C -0.486 176.258 176.870 -0.209 0.000 1.022 48 L CA -0.129 54.612 54.840 -0.165 0.000 0.814 48 L CB 1.440 43.412 42.059 -0.146 0.000 1.217 48 L HN 0.427 nan 8.230 nan 0.000 0.420 49 I N 2.710 123.163 120.570 -0.194 0.000 2.362 49 I HA 0.379 4.549 4.170 -0.000 0.000 0.289 49 I C 0.663 176.687 176.117 -0.156 0.000 0.994 49 I CA -0.310 60.857 61.300 -0.221 0.000 1.158 49 I CB 1.563 39.429 38.000 -0.223 0.000 1.315 49 I HN 0.636 nan 8.210 nan 0.000 0.451 50 G N 5.212 113.907 108.800 -0.174 0.000 2.404 50 G HA2 0.128 4.088 3.960 -0.000 0.000 0.316 50 G HA3 0.128 4.088 3.960 -0.000 0.000 0.316 50 G C -0.146 174.666 174.900 -0.146 0.000 1.074 50 G CA -0.346 44.661 45.100 -0.155 0.000 0.989 50 G HN 0.599 nan 8.290 nan 0.000 0.430 51 D N 2.162 122.502 120.400 -0.100 0.000 2.450 51 D HA 0.260 4.900 4.640 -0.000 0.000 0.247 51 D C 1.502 177.714 176.300 -0.146 0.000 1.162 51 D CA 1.448 55.387 54.000 -0.102 0.000 0.879 51 D CB 0.889 41.701 40.800 0.019 0.000 1.163 51 D HN 0.754 nan 8.370 nan 0.000 0.472 52 G N 4.144 112.731 108.800 -0.356 0.000 2.166 52 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 52 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 52 G C 0.729 175.566 174.900 -0.105 0.000 0.986 52 G CA 0.522 45.502 45.100 -0.200 0.000 0.683 52 G HN 0.590 nan 8.290 nan 0.000 0.527 53 M N 2.129 121.638 119.600 -0.152 0.000 3.436 53 M HA 0.447 4.927 4.480 -0.000 0.000 0.240 53 M C 1.179 177.436 176.300 -0.071 0.000 1.469 53 M CA 0.468 55.705 55.300 -0.106 0.000 1.622 53 M CB -0.680 31.840 32.600 -0.135 0.000 1.098 53 M HN 0.269 nan 8.290 nan 0.000 0.568 54 G N 1.622 110.409 108.800 -0.021 0.000 2.621 54 G HA2 0.055 4.015 3.960 -0.000 0.000 0.271 54 G HA3 0.055 4.015 3.960 -0.000 0.000 0.271 54 G C -0.056 174.858 174.900 0.023 0.000 1.236 54 G CA -0.434 44.679 45.100 0.022 0.000 0.958 54 G HN 0.701 nan 8.290 nan 0.000 0.512 55 D N -1.042 119.384 120.400 0.044 0.000 2.178 55 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 55 D C 2.521 178.847 176.300 0.043 0.000 0.980 55 D CA 1.528 55.553 54.000 0.042 0.000 0.842 55 D CB 0.193 41.024 40.800 0.050 0.000 0.948 55 D HN 0.271 nan 8.370 nan 0.000 0.472 56 S N -0.055 115.670 115.700 0.042 0.000 2.368 56 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 56 S C 1.770 176.387 174.600 0.028 0.000 1.030 56 S CA 1.121 59.340 58.200 0.031 0.000 0.999 56 S CB -0.077 63.136 63.200 0.022 0.000 0.844 56 S HN 0.062 nan 8.310 nan 0.000 0.459 57 E N 1.217 121.430 120.200 0.022 0.000 2.077 57 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 57 E C 1.924 178.548 176.600 0.040 0.000 0.989 57 E CA 1.262 57.670 56.400 0.013 0.000 0.800 57 E CB -0.356 29.335 29.700 -0.016 0.000 0.746 57 E HN 0.600 nan 8.360 nan 0.000 0.452 58 I N 0.471 121.068 120.570 0.045 0.000 2.226 58 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 58 I C 2.016 178.244 176.117 0.184 0.000 1.100 58 I CA 1.401 62.764 61.300 0.104 0.000 1.374 58 I CB -0.479 37.565 38.000 0.074 0.000 1.057 58 I HN 0.130 nan 8.210 nan 0.000 0.413 59 T N 0.818 115.439 114.554 0.111 0.000 2.708 59 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 59 T C 2.085 176.842 174.700 0.096 0.000 1.037 59 T CA 1.442 63.596 62.100 0.091 0.000 1.146 59 T CB -0.344 68.559 68.868 0.058 0.000 0.865 59 T HN 0.471 nan 8.240 nan 0.000 0.435 60 A N 1.512 124.388 122.820 0.093 0.000 1.902 60 A HA 0.162 4.482 4.320 -0.000 0.000 0.217 60 A C 2.653 180.338 177.584 0.168 0.000 1.181 60 A CA 1.837 53.938 52.037 0.107 0.000 0.623 60 A CB -1.127 17.916 19.000 0.073 0.000 0.818 60 A HN 0.508 nan 8.150 nan 0.000 0.443 61 A N -0.498 122.439 122.820 0.195 0.000 1.902 61 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 61 A C 2.269 180.050 177.584 0.328 0.000 1.181 61 A CA 1.677 53.889 52.037 0.292 0.000 0.623 61 A CB -0.480 18.692 19.000 0.287 0.000 0.818 61 A HN 0.549 nan 8.150 nan 0.000 0.443 62 R N -0.331 120.277 120.500 0.181 0.000 2.066 62 R HA -0.148 4.191 4.340 -0.000 0.000 0.232 62 R C 1.820 178.053 176.300 -0.112 0.000 1.131 62 R CA 1.616 57.534 56.100 -0.303 0.000 0.955 62 R CB -0.332 29.783 30.300 -0.309 0.000 0.851 62 R HN 0.504 nan 8.270 nan 0.000 0.432 63 N N 0.078 118.787 118.700 0.016 0.000 2.061 63 N HA -0.236 4.504 4.740 -0.000 0.000 0.193 63 N C 1.514 177.060 175.510 0.060 0.000 1.030 63 N CA 1.512 54.581 53.050 0.032 0.000 0.856 63 N CB -0.648 37.878 38.487 0.065 0.000 1.023 63 N HN 0.311 nan 8.380 nan 0.000 0.424 64 Y N 0.806 121.137 120.300 0.050 0.000 2.184 64 Y HA 0.044 4.594 4.550 -0.000 0.000 0.290 64 Y C 2.202 178.166 175.900 0.106 0.000 1.129 64 Y CA 1.708 59.862 58.100 0.089 0.000 1.144 64 Y CB -0.384 38.169 38.460 0.156 0.000 0.995 64 Y HN 0.071 nan 8.280 nan 0.000 0.513 65 A N -0.701 122.340 122.820 0.369 0.000 2.030 65 A HA 0.049 4.369 4.320 -0.000 0.000 0.215 65 A C 1.741 179.367 177.584 0.071 0.000 1.164 65 A CA 1.307 53.536 52.037 0.320 0.000 0.697 65 A CB -0.096 19.189 19.000 0.474 0.000 0.827 65 A HN 0.469 nan 8.150 nan 0.000 0.457 66 E N -1.213 118.946 120.200 -0.069 0.000 2.514 66 E HA 0.329 4.679 4.350 -0.000 0.000 0.215 66 E C 0.679 177.217 176.600 -0.103 0.000 0.946 66 E CA 0.656 56.979 56.400 -0.128 0.000 1.038 66 E CB 0.678 30.195 29.700 -0.305 0.000 1.069 66 E HN 0.689 nan 8.360 nan 0.000 0.503 67 G N 1.142 109.886 108.800 -0.094 0.000 2.692 67 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.686 67 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.686 67 G C 0.769 175.629 174.900 -0.066 0.000 1.243 67 G CA -0.164 44.891 45.100 -0.074 0.000 0.782 67 G HN 0.186 nan 8.290 nan 0.000 0.625 68 A N 0.309 123.104 122.820 -0.042 0.000 1.948 68 A HA 0.229 4.549 4.320 -0.000 0.000 0.220 68 A C 2.614 180.181 177.584 -0.028 0.000 1.177 68 A CA 2.684 54.704 52.037 -0.028 0.000 0.636 68 A CB -0.567 18.424 19.000 -0.015 0.000 0.815 68 A HN 2.414 nan 8.150 nan 0.000 0.449 69 G N -0.895 107.889 108.800 -0.028 0.000 3.233 69 G HA2 0.420 4.380 3.960 -0.000 0.000 0.227 69 G HA3 0.420 4.380 3.960 -0.000 0.000 0.227 69 G C 0.691 175.582 174.900 -0.014 0.000 1.175 69 G CA 0.556 45.645 45.100 -0.019 0.000 0.781 69 G HN 0.729 nan 8.290 nan 0.000 0.542 70 G N -0.390 108.390 108.800 -0.035 0.000 2.553 70 G HA2 0.474 4.434 3.960 -0.000 0.000 0.278 70 G HA3 0.474 4.434 3.960 -0.000 0.000 0.278 70 G C -1.064 173.864 174.900 0.047 0.000 1.349 70 G CA -0.753 44.329 45.100 -0.030 0.000 1.037 70 G HN 0.339 nan 8.290 nan 0.000 0.508 71 F N -1.078 118.763 119.950 -0.182 0.000 2.651 71 F HA 0.502 5.029 4.527 -0.000 0.000 0.329 71 F C -1.577 174.164 175.800 -0.099 0.000 1.186 71 F CA -1.268 56.656 58.000 -0.128 0.000 1.046 71 F CB 1.310 40.280 39.000 -0.050 0.000 1.296 71 F HN 0.268 nan 8.300 nan 0.000 0.497 72 F N 6.412 126.037 119.950 -0.542 0.000 2.462 72 F HA 0.299 4.826 4.527 -0.000 0.000 0.360 72 F C 1.371 176.590 175.800 -0.967 0.000 1.134 72 F CA -0.190 57.491 58.000 -0.531 0.000 1.148 72 F CB 1.022 39.820 39.000 -0.336 0.000 1.147 72 F HN 0.537 nan 8.300 nan 0.000 0.550 73 K N 1.777 121.905 120.400 -0.453 0.000 2.442 73 K HA -0.109 4.211 4.320 -0.000 0.000 0.199 73 K C 1.803 178.255 176.600 -0.247 0.000 1.044 73 K CA 1.013 57.087 56.287 -0.355 0.000 0.941 73 K CB 0.035 32.520 32.500 -0.026 0.000 0.759 73 K HN 0.858 nan 8.250 nan 0.000 0.472 74 G N 0.787 109.454 108.800 -0.222 0.000 2.687 74 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.222 74 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.222 74 G C 1.304 176.086 174.900 -0.198 0.000 1.445 74 G CA -0.298 44.694 45.100 -0.180 0.000 0.836 74 G HN 0.016 nan 8.290 nan 0.000 0.598 75 I N 1.691 122.119 120.570 -0.236 0.000 2.185 75 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 75 I C 1.528 177.576 176.117 -0.115 0.000 1.088 75 I CA 1.451 62.623 61.300 -0.214 0.000 1.347 75 I CB -0.076 37.700 38.000 -0.372 0.000 1.041 75 I HN 0.111 nan 8.210 nan 0.000 0.415 76 D N 0.506 120.828 120.400 -0.130 0.000 2.340 76 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 76 D C 1.842 178.157 176.300 0.026 0.000 1.039 76 D CA 0.578 54.541 54.000 -0.061 0.000 0.866 76 D CB 0.339 41.092 40.800 -0.079 0.000 0.913 76 D HN 0.310 nan 8.370 nan 0.000 0.523 77 A N 0.148 122.926 122.820 -0.070 0.000 2.218 77 A HA 0.091 4.411 4.320 -0.000 0.000 0.209 77 A C 0.821 178.447 177.584 0.071 0.000 1.168 77 A CA -0.003 52.096 52.037 0.102 0.000 0.804 77 A CB -0.126 18.891 19.000 0.028 0.000 0.834 77 A HN 0.079 nan 8.150 nan 0.000 0.482 78 L N 0.953 122.199 121.223 0.038 0.000 2.360 78 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 78 L C -0.990 175.937 176.870 0.095 0.000 1.121 78 L CA -1.019 53.862 54.840 0.067 0.000 0.845 78 L CB 0.453 42.539 42.059 0.046 0.000 1.143 78 L HN 0.119 nan 8.230 nan 0.000 0.452 79 P HA -0.025 nan 4.420 nan 0.000 0.227 79 P C 0.068 177.410 177.300 0.071 0.000 1.161 79 P CA 0.773 63.934 63.100 0.102 0.000 0.788 79 P CB 0.587 32.360 31.700 0.121 0.000 0.822 80 L N 1.071 122.333 121.223 0.065 0.000 2.280 80 L HA 0.390 4.730 4.340 -0.000 0.000 0.287 80 L C 0.360 177.244 176.870 0.023 0.000 1.023 80 L CA -0.386 54.476 54.840 0.037 0.000 0.819 80 L CB 1.613 43.688 42.059 0.025 0.000 1.212 80 L HN -0.066 nan 8.230 nan 0.000 0.420 81 T N -0.344 114.221 114.554 0.018 0.000 2.907 81 T HA 0.917 5.267 4.350 -0.000 0.000 0.292 81 T C -0.139 174.564 174.700 0.005 0.000 1.043 81 T CA -0.629 61.473 62.100 0.004 0.000 1.003 81 T CB 2.569 71.445 68.868 0.013 0.000 1.084 81 T HN 0.655 nan 8.240 nan 0.000 0.483 82 G N 0.342 109.137 108.800 -0.009 0.000 2.782 82 G HA2 0.605 4.565 3.960 -0.000 0.000 0.304 82 G HA3 0.605 4.565 3.960 -0.000 0.000 0.304 82 G C -2.127 172.780 174.900 0.011 0.000 1.315 82 G CA -0.954 44.152 45.100 0.011 0.000 0.791 82 G HN 0.727 nan 8.290 nan 0.000 0.519 83 Q N -0.244 119.590 119.800 0.057 0.000 2.304 83 Q HA 0.562 4.902 4.340 -0.000 0.000 0.270 83 Q C -1.286 174.841 176.000 0.211 0.000 1.035 83 Q CA -0.791 55.075 55.803 0.105 0.000 0.781 83 Q CB 2.360 31.160 28.738 0.104 0.000 1.261 83 Q HN 0.703 nan 8.270 nan 0.000 0.444 84 Y N -1.050 119.302 120.300 0.085 0.000 2.598 84 Y HA 0.883 5.433 4.550 -0.000 0.000 0.340 84 Y C -0.455 175.506 175.900 0.100 0.000 1.038 84 Y CA -1.880 56.276 58.100 0.094 0.000 1.100 84 Y CB 0.503 39.021 38.460 0.096 0.000 1.281 84 Y HN 0.534 nan 8.280 nan 0.000 0.488 85 T N -0.407 114.172 114.554 0.041 0.000 2.902 85 T HA 0.492 4.841 4.350 -0.000 0.000 0.283 85 T C -0.682 173.791 174.700 -0.379 0.000 1.009 85 T CA -0.341 61.669 62.100 -0.149 0.000 1.051 85 T CB 0.860 69.765 68.868 0.061 0.000 0.999 85 T HN 0.964 nan 8.240 nan 0.000 0.474 86 H N -0.728 118.255 119.070 -0.144 0.000 2.665 86 H HA 0.310 4.866 4.556 -0.000 0.000 0.248 86 H C -0.319 174.932 175.328 -0.128 0.000 1.175 86 H CA -1.204 54.709 56.048 -0.225 0.000 0.952 86 H CB -1.302 28.386 29.762 -0.124 0.000 1.883 86 H HN 0.717 nan 8.280 nan 0.000 0.623 87 Y N 0.569 120.814 120.300 -0.092 0.000 2.578 87 Y HA 0.524 5.074 4.550 -0.000 0.000 0.339 87 Y C 0.405 176.288 175.900 -0.028 0.000 1.231 87 Y CA -0.726 57.354 58.100 -0.034 0.000 1.461 87 Y CB 0.397 38.816 38.460 -0.068 0.000 1.323 87 Y HN 0.324 nan 8.280 nan 0.000 0.590 88 A N 3.990 126.872 122.820 0.104 0.000 2.580 88 A HA 0.854 5.174 4.320 -0.000 0.000 0.275 88 A C -0.934 176.695 177.584 0.075 0.000 1.321 88 A CA -1.121 50.931 52.037 0.025 0.000 0.924 88 A CB 0.610 19.622 19.000 0.020 0.000 1.512 88 A HN 0.820 nan 8.150 nan 0.000 0.492 89 L N 0.373 121.619 121.223 0.039 0.000 2.370 89 L HA 0.376 4.716 4.340 -0.000 0.000 0.266 89 L C -0.158 176.733 176.870 0.035 0.000 1.002 89 L CA -0.861 53.998 54.840 0.032 0.000 0.818 89 L CB 1.765 43.844 42.059 0.033 0.000 1.325 89 L HN 0.788 nan 8.230 nan 0.000 0.418 90 N N 2.170 120.866 118.700 -0.006 0.000 2.470 90 N HA 0.012 4.752 4.740 -0.000 0.000 0.268 90 N C 0.572 176.071 175.510 -0.018 0.000 1.136 90 N CA 0.106 53.151 53.050 -0.008 0.000 0.961 90 N CB 1.461 39.930 38.487 -0.031 0.000 1.067 90 N HN 0.669 nan 8.380 nan 0.000 0.468 91 K N 3.851 124.225 120.400 -0.043 0.000 2.103 91 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 91 K C 1.267 177.779 176.600 -0.146 0.000 1.048 91 K CA 1.427 57.608 56.287 -0.175 0.000 0.930 91 K CB 0.238 32.439 32.500 -0.499 0.000 0.716 91 K HN 0.534 nan 8.250 nan 0.000 0.444 92 K N -0.695 119.643 120.400 -0.102 0.000 2.076 92 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 92 K C 2.123 178.701 176.600 -0.036 0.000 1.051 92 K CA 1.738 57.985 56.287 -0.067 0.000 0.949 92 K CB 0.021 32.488 32.500 -0.054 0.000 0.726 92 K HN 0.337 nan 8.250 nan 0.000 0.443 93 T N -3.193 111.342 114.554 -0.031 0.000 3.051 93 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 93 T C 1.554 176.247 174.700 -0.013 0.000 1.085 93 T CA 0.591 62.682 62.100 -0.016 0.000 1.109 93 T CB 0.419 69.278 68.868 -0.015 0.000 0.921 93 T HN 0.345 nan 8.240 nan 0.000 0.488 94 G N 1.607 110.394 108.800 -0.023 0.000 2.184 94 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 94 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 94 G C 0.088 174.979 174.900 -0.015 0.000 0.975 94 G CA 0.450 45.540 45.100 -0.017 0.000 0.642 94 G HN 0.683 nan 8.290 nan 0.000 0.536 95 K N 0.870 121.253 120.400 -0.029 0.000 2.107 95 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 95 K C -2.379 174.160 176.600 -0.103 0.000 1.012 95 K CA -1.789 54.466 56.287 -0.054 0.000 0.920 95 K CB 0.544 33.016 32.500 -0.048 0.000 1.033 95 K HN 0.010 nan 8.250 nan 0.000 0.478 96 P HA -0.042 nan 4.420 nan 0.000 0.268 96 P C -1.102 175.874 177.300 -0.540 0.000 1.205 96 P CA 0.198 63.089 63.100 -0.348 0.000 0.771 96 P CB 0.446 31.771 31.700 -0.624 0.000 0.858 97 D N 2.071 122.263 120.400 -0.347 0.000 2.461 97 D HA 0.130 4.770 4.640 -0.000 0.000 0.240 97 D C 0.305 176.472 176.300 -0.223 0.000 1.094 97 D CA -0.550 53.289 54.000 -0.268 0.000 0.868 97 D CB 0.280 41.042 40.800 -0.063 0.000 1.062 97 D HN 0.236 nan 8.370 nan 0.000 0.530 98 Y N 1.531 121.876 120.300 0.076 0.000 2.446 98 Y HA -0.053 4.496 4.550 -0.000 0.000 0.287 98 Y C 1.034 177.008 175.900 0.123 0.000 1.159 98 Y CA 0.483 58.634 58.100 0.086 0.000 1.297 98 Y CB 0.030 38.510 38.460 0.033 0.000 0.974 98 Y HN 0.150 nan 8.280 nan 0.000 0.557 99 V N 0.349 120.383 119.914 0.201 0.000 2.357 99 V HA 0.188 4.308 4.120 -0.000 0.000 0.281 99 V C 0.153 176.328 176.094 0.134 0.000 1.015 99 V CA -0.982 61.430 62.300 0.186 0.000 0.827 99 V CB 1.363 33.273 31.823 0.146 0.000 1.018 99 V HN 0.071 nan 8.190 nan 0.000 0.432 100 T N 3.292 117.949 114.554 0.172 0.000 2.882 100 T HA 0.328 4.678 4.350 -0.000 0.000 0.287 100 T C -0.106 174.651 174.700 0.096 0.000 1.014 100 T CA -0.446 61.725 62.100 0.118 0.000 1.049 100 T CB 0.925 69.880 68.868 0.146 0.000 1.001 100 T HN 0.891 nan 8.240 nan 0.000 0.525 101 D N 1.466 121.906 120.400 0.068 0.000 2.529 101 D HA 0.258 4.898 4.640 -0.000 0.000 0.273 101 D C 1.125 177.511 176.300 0.143 0.000 1.197 101 D CA -0.462 53.599 54.000 0.101 0.000 1.070 101 D CB 0.009 40.825 40.800 0.026 0.000 1.134 101 D HN 0.466 nan 8.370 nan 0.000 0.590 102 T N -0.224 114.465 114.554 0.225 0.000 2.821 102 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 102 T C 1.847 176.573 174.700 0.043 0.000 1.046 102 T CA 1.769 64.000 62.100 0.220 0.000 1.139 102 T CB -0.491 68.533 68.868 0.260 0.000 0.871 102 T HN 0.589 nan 8.240 nan 0.000 0.454 103 A N 1.784 124.598 122.820 -0.010 0.000 1.865 103 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 103 A C 2.670 180.139 177.584 -0.190 0.000 1.191 103 A CA 2.050 54.020 52.037 -0.113 0.000 0.623 103 A CB -1.274 17.659 19.000 -0.113 0.000 0.826 103 A HN 0.510 nan 8.150 nan 0.000 0.444 104 A N 0.059 122.783 122.820 -0.160 0.000 1.933 104 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 104 A C 2.503 179.978 177.584 -0.182 0.000 1.175 104 A CA 2.442 54.367 52.037 -0.187 0.000 0.628 104 A CB -0.946 17.974 19.000 -0.133 0.000 0.814 104 A HN 0.968 nan 8.150 nan 0.000 0.444 105 S N 0.134 115.768 115.700 -0.110 0.000 2.371 105 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 105 S C 2.117 176.495 174.600 -0.369 0.000 1.029 105 S CA 1.123 59.282 58.200 -0.068 0.000 0.978 105 S CB -0.678 62.611 63.200 0.148 0.000 0.833 105 S HN 0.847 nan 8.310 nan 0.000 0.466 106 A N 1.754 124.158 122.820 -0.694 0.000 1.930 106 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 106 A C 2.376 179.267 177.584 -1.154 0.000 1.175 106 A CA 1.947 53.008 52.037 -1.627 0.000 0.627 106 A CB -1.566 16.894 19.000 -0.899 0.000 0.815 106 A HN 0.530 nan 8.150 nan 0.000 0.443 107 T N 0.184 114.371 114.554 -0.611 0.000 2.788 107 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 107 T C 2.226 176.683 174.700 -0.405 0.000 1.044 107 T CA 1.433 63.269 62.100 -0.440 0.000 1.139 107 T CB -0.410 68.270 68.868 -0.313 0.000 0.867 107 T HN 0.598 nan 8.240 nan 0.000 0.454 108 A N 1.456 124.072 122.820 -0.341 0.000 1.865 108 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 108 A C 2.133 179.678 177.584 -0.065 0.000 1.191 108 A CA 2.002 53.920 52.037 -0.198 0.000 0.623 108 A CB -1.082 17.839 19.000 -0.131 0.000 0.826 108 A HN 0.868 nan 8.150 nan 0.000 0.444 109 W N -0.537 120.766 121.300 0.006 0.000 2.770 109 W HA 0.257 4.917 4.660 -0.000 0.000 0.256 109 W C 1.558 178.166 176.519 0.149 0.000 1.291 109 W CA 0.621 58.035 57.345 0.116 0.000 1.396 109 W CB -0.721 28.836 29.460 0.162 0.000 1.114 109 W HN 0.127 nan 8.180 nan 0.000 0.637 110 S N 0.315 115.861 115.700 -0.257 0.000 2.425 110 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 110 S C 1.750 176.243 174.600 -0.178 0.000 1.024 110 S CA 1.777 59.910 58.200 -0.111 0.000 0.951 110 S CB -0.323 62.685 63.200 -0.320 0.000 0.796 110 S HN 0.510 nan 8.310 nan 0.000 0.498 111 T N -3.317 110.919 114.554 -0.530 0.000 2.975 111 T HA 0.450 4.800 4.350 -0.000 0.000 0.261 111 T C 1.316 175.041 174.700 -1.626 0.000 0.984 111 T CA 0.776 62.275 62.100 -1.002 0.000 0.911 111 T CB 0.556 69.146 68.868 -0.463 0.000 1.127 111 T HN 0.462 nan 8.240 nan 0.000 0.514 112 G N 0.990 109.181 108.800 -1.014 0.000 2.143 112 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.249 112 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.249 112 G C -0.070 174.716 174.900 -0.188 0.000 0.981 112 G CA 0.077 44.917 45.100 -0.434 0.000 0.665 112 G HN 0.936 nan 8.290 nan 0.000 0.528 113 V N 0.849 120.567 119.914 -0.326 0.000 2.588 113 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 113 V C 0.367 176.329 176.094 -0.221 0.000 1.042 113 V CA -1.654 60.477 62.300 -0.281 0.000 0.877 113 V CB 1.915 33.437 31.823 -0.502 0.000 0.996 113 V HN 0.186 nan 8.190 nan 0.000 0.425 114 K N 1.666 121.969 120.400 -0.163 0.000 2.276 114 K HA 0.591 4.911 4.320 -0.000 0.000 0.259 114 K C 0.108 176.632 176.600 -0.127 0.000 1.001 114 K CA 0.116 56.312 56.287 -0.152 0.000 0.927 114 K CB 1.409 33.837 32.500 -0.119 0.000 0.969 114 K HN 0.890 nan 8.250 nan 0.000 0.490 115 T N -0.334 114.153 114.554 -0.112 0.000 2.648 115 T HA 0.412 4.762 4.350 -0.000 0.000 0.304 115 T C -1.532 173.151 174.700 -0.029 0.000 1.312 115 T CA -0.730 61.324 62.100 -0.077 0.000 1.023 115 T CB 0.206 68.968 68.868 -0.177 0.000 1.612 115 T HN 0.405 nan 8.240 nan 0.000 0.487 116 Y N 0.988 121.246 120.300 -0.069 0.000 2.354 116 Y HA 0.692 5.242 4.550 -0.000 0.000 0.322 116 Y C 0.462 176.337 175.900 -0.041 0.000 1.253 116 Y CA -1.405 56.664 58.100 -0.052 0.000 1.272 116 Y CB 0.019 38.449 38.460 -0.049 0.000 1.255 116 Y HN 0.361 nan 8.280 nan 0.000 0.500 117 N N 1.015 119.742 118.700 0.045 0.000 2.458 117 N HA 0.281 5.021 4.740 -0.000 0.000 0.258 117 N C 1.094 176.570 175.510 -0.057 0.000 1.219 117 N CA 1.387 54.420 53.050 -0.028 0.000 0.902 117 N CB 0.918 39.420 38.487 0.024 0.000 1.076 117 N HN 1.127 nan 8.380 nan 0.000 0.455 118 G N -0.100 108.625 108.800 -0.124 0.000 2.258 118 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.233 118 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.233 118 G C 0.231 174.997 174.900 -0.223 0.000 1.006 118 G CA 0.165 45.206 45.100 -0.099 0.000 0.620 118 G HN 0.911 nan 8.290 nan 0.000 0.511 119 A N 0.329 122.821 122.820 -0.546 0.000 2.407 119 A HA 0.735 5.055 4.320 -0.000 0.000 0.248 119 A C 0.047 177.429 177.584 -0.337 0.000 1.082 119 A CA 0.327 51.994 52.037 -0.618 0.000 0.785 119 A CB 0.436 18.690 19.000 -1.244 0.000 1.020 119 A HN 0.964 nan 8.150 nan 0.000 0.489 120 L N 1.894 122.984 121.223 -0.221 0.000 2.406 120 L HA 0.531 4.871 4.340 -0.000 0.000 0.270 120 L C 1.045 177.831 176.870 -0.139 0.000 0.982 120 L CA 0.159 54.886 54.840 -0.189 0.000 0.843 120 L CB 1.717 43.679 42.059 -0.162 0.000 1.225 120 L HN 1.235 nan 8.230 nan 0.000 0.412 121 G N 2.808 111.524 108.800 -0.140 0.000 2.168 121 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.257 121 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.257 121 G C -0.124 174.906 174.900 0.217 0.000 0.997 121 G CA 0.466 45.584 45.100 0.028 0.000 0.708 121 G HN 0.729 nan 8.290 nan 0.000 0.520 122 V N -2.813 117.144 119.914 0.072 0.000 3.049 122 V HA 0.850 4.970 4.120 -0.000 0.000 0.309 122 V C 0.041 176.195 176.094 0.100 0.000 1.148 122 V CA -0.519 61.852 62.300 0.118 0.000 0.990 122 V CB 2.122 34.004 31.823 0.099 0.000 1.039 122 V HN 0.377 nan 8.190 nan 0.000 0.430 123 D N 2.695 123.213 120.400 0.198 0.000 2.469 123 D HA 0.258 4.898 4.640 -0.000 0.000 0.278 123 D C 1.413 177.790 176.300 0.130 0.000 1.231 123 D CA -0.135 53.933 54.000 0.113 0.000 1.075 123 D CB 0.483 41.374 40.800 0.153 0.000 1.121 123 D HN 0.826 nan 8.370 nan 0.000 0.571 124 I N -3.068 117.489 120.570 -0.022 0.000 2.916 124 I HA -0.089 4.081 4.170 -0.000 0.000 0.267 124 I C 0.654 176.661 176.117 -0.182 0.000 1.263 124 I CA 0.839 62.103 61.300 -0.061 0.000 1.471 124 I CB -0.526 37.345 38.000 -0.214 0.000 1.089 124 I HN 0.209 nan 8.210 nan 0.000 0.468 125 H N 1.849 120.977 119.070 0.096 0.000 2.529 125 H HA 0.264 4.820 4.556 -0.000 0.000 0.277 125 H C 0.126 175.486 175.328 0.053 0.000 1.004 125 H CA 0.085 56.161 56.048 0.047 0.000 1.167 125 H CB -0.067 29.719 29.762 0.040 0.000 1.445 125 H HN 0.526 nan 8.280 nan 0.000 0.554 126 E N 0.341 120.643 120.200 0.170 0.000 2.791 126 E HA -0.202 4.148 4.350 -0.000 0.000 0.271 126 E C 0.270 176.923 176.600 0.088 0.000 1.044 126 E CA 0.430 56.918 56.400 0.147 0.000 0.814 126 E CB -0.895 28.870 29.700 0.109 0.000 1.400 126 E HN 0.393 nan 8.360 nan 0.000 0.423 127 K N 1.646 122.095 120.400 0.082 0.000 2.183 127 K HA 0.176 4.496 4.320 -0.000 0.000 0.274 127 K C -0.320 176.189 176.600 -0.152 0.000 1.009 127 K CA -0.645 55.617 56.287 -0.041 0.000 0.888 127 K CB 0.831 33.300 32.500 -0.052 0.000 1.078 127 K HN -0.148 nan 8.250 nan 0.000 0.459 128 D N 2.372 122.632 120.400 -0.233 0.000 2.368 128 D HA 0.124 4.764 4.640 -0.000 0.000 0.240 128 D C -0.335 175.653 176.300 -0.520 0.000 1.169 128 D CA 0.526 54.339 54.000 -0.312 0.000 0.906 128 D CB 0.461 40.977 40.800 -0.473 0.000 1.187 128 D HN 0.426 nan 8.370 nan 0.000 0.435 129 H N -0.207 118.770 119.070 -0.155 0.000 2.856 129 H HA 0.283 4.839 4.556 -0.000 0.000 0.355 129 H C -2.365 172.925 175.328 -0.063 0.000 1.079 129 H CA -1.454 54.527 56.048 -0.113 0.000 1.240 129 H CB 1.807 31.499 29.762 -0.117 0.000 1.701 129 H HN 0.060 nan 8.280 nan 0.000 0.527 130 P HA -0.054 nan 4.420 nan 0.000 0.265 130 P C 0.149 177.498 177.300 0.081 0.000 1.187 130 P CA 0.283 63.428 63.100 0.075 0.000 0.766 130 P CB 0.584 32.324 31.700 0.066 0.000 0.820 131 T N -0.220 114.397 114.554 0.106 0.000 2.929 131 T HA 0.260 4.610 4.350 -0.000 0.000 0.284 131 T C 1.078 175.825 174.700 0.078 0.000 1.014 131 T CA -0.661 61.470 62.100 0.052 0.000 1.051 131 T CB 0.556 69.419 68.868 -0.009 0.000 1.028 131 T HN 0.170 nan 8.240 nan 0.000 0.485 132 I N 1.877 122.512 120.570 0.110 0.000 2.315 132 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 132 I C 1.898 177.770 176.117 -0.408 0.000 1.125 132 I CA 1.308 62.534 61.300 -0.123 0.000 1.392 132 I CB -0.512 37.339 38.000 -0.249 0.000 1.065 132 I HN 0.816 nan 8.210 nan 0.000 0.424 133 L N -0.188 120.822 121.223 -0.356 0.000 2.095 133 L HA -0.153 4.187 4.340 -0.000 0.000 0.204 133 L C 2.379 179.209 176.870 -0.066 0.000 1.080 133 L CA 1.337 56.027 54.840 -0.250 0.000 0.759 133 L CB -0.445 41.609 42.059 -0.008 0.000 0.914 133 L HN 0.237 nan 8.230 nan 0.000 0.439 134 E N -0.263 119.927 120.200 -0.017 0.000 2.110 134 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 134 E C 2.160 178.767 176.600 0.012 0.000 0.988 134 E CA 1.727 58.143 56.400 0.027 0.000 0.804 134 E CB -0.182 29.558 29.700 0.066 0.000 0.745 134 E HN 0.572 nan 8.360 nan 0.000 0.458 135 M N 0.338 119.932 119.600 -0.010 0.000 2.200 135 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 135 M C 2.505 178.785 176.300 -0.033 0.000 1.066 135 M CA 1.197 56.488 55.300 -0.016 0.000 1.127 135 M CB -0.144 32.443 32.600 -0.022 0.000 1.379 135 M HN 0.113 nan 8.290 nan 0.000 0.420 136 A N 0.662 123.442 122.820 -0.066 0.000 1.902 136 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 136 A C 2.187 179.791 177.584 0.033 0.000 1.181 136 A CA 1.861 53.884 52.037 -0.023 0.000 0.623 136 A CB -0.601 18.386 19.000 -0.022 0.000 0.818 136 A HN 0.447 nan 8.150 nan 0.000 0.443 137 K N -0.266 120.157 120.400 0.039 0.000 2.025 137 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 137 K C 2.130 178.753 176.600 0.038 0.000 1.049 137 K CA 1.188 57.507 56.287 0.054 0.000 0.933 137 K CB -0.352 32.182 32.500 0.056 0.000 0.714 137 K HN 0.331 nan 8.250 nan 0.000 0.438 138 A N 0.877 123.713 122.820 0.027 0.000 2.024 138 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 138 A C 2.119 179.715 177.584 0.019 0.000 1.164 138 A CA 1.796 53.847 52.037 0.022 0.000 0.643 138 A CB -0.585 18.426 19.000 0.019 0.000 0.806 138 A HN 0.483 nan 8.150 nan 0.000 0.451 139 A N -1.932 120.898 122.820 0.017 0.000 2.238 139 A HA 0.414 4.734 4.320 -0.000 0.000 0.208 139 A C 1.723 179.322 177.584 0.026 0.000 1.177 139 A CA 1.164 53.210 52.037 0.015 0.000 0.804 139 A CB -0.852 18.151 19.000 0.005 0.000 0.823 139 A HN 1.880 nan 8.150 nan 0.000 0.482 140 G N -1.384 107.437 108.800 0.034 0.000 2.132 140 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.234 140 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.234 140 G C 0.001 174.936 174.900 0.059 0.000 0.989 140 G CA 0.249 45.374 45.100 0.041 0.000 0.676 140 G HN 0.414 nan 8.290 nan 0.000 0.522 141 L N 0.350 121.617 121.223 0.074 0.000 2.375 141 L HA 0.777 5.117 4.340 -0.000 0.000 0.268 141 L C 1.109 178.063 176.870 0.140 0.000 1.058 141 L CA -0.610 54.297 54.840 0.113 0.000 0.803 141 L CB 1.474 43.606 42.059 0.123 0.000 1.212 141 L HN 0.279 nan 8.230 nan 0.000 0.451 142 A N 0.838 123.771 122.820 0.187 0.000 2.371 142 A HA 0.554 4.874 4.320 -0.000 0.000 0.257 142 A C 0.035 177.755 177.584 0.226 0.000 1.089 142 A CA -0.193 51.946 52.037 0.169 0.000 0.794 142 A CB 0.236 19.323 19.000 0.146 0.000 1.029 142 A HN 0.718 nan 8.150 nan 0.000 0.488 143 T N -0.450 114.206 114.554 0.171 0.000 2.848 143 T HA 0.715 5.065 4.350 -0.000 0.000 0.285 143 T C -0.177 174.610 174.700 0.144 0.000 0.995 143 T CA -0.024 62.214 62.100 0.231 0.000 0.970 143 T CB 1.728 70.731 68.868 0.224 0.000 0.976 143 T HN 1.341 nan 8.240 nan 0.000 0.441 144 G N 1.325 110.209 108.800 0.140 0.000 2.617 144 G HA2 0.554 4.514 3.960 -0.000 0.000 0.306 144 G HA3 0.554 4.514 3.960 -0.000 0.000 0.306 144 G C -1.398 173.536 174.900 0.057 0.000 1.360 144 G CA -0.836 44.283 45.100 0.033 0.000 0.983 144 G HN 0.753 nan 8.290 nan 0.000 0.496 145 N N 1.388 120.122 118.700 0.057 0.000 2.576 145 N HA 0.474 5.214 4.740 -0.000 0.000 0.269 145 N C -1.188 174.346 175.510 0.039 0.000 1.058 145 N CA -0.287 52.807 53.050 0.074 0.000 0.860 145 N CB 1.871 40.422 38.487 0.106 0.000 1.249 145 N HN 0.239 nan 8.380 nan 0.000 0.525 146 V N 1.461 121.386 119.914 0.019 0.000 2.555 146 V HA 0.777 4.897 4.120 -0.000 0.000 0.302 146 V C -0.181 175.926 176.094 0.021 0.000 1.038 146 V CA -0.639 61.670 62.300 0.015 0.000 0.887 146 V CB 1.507 33.319 31.823 -0.019 0.000 0.991 146 V HN 0.668 nan 8.190 nan 0.000 0.434 147 S N 1.754 117.475 115.700 0.034 0.000 2.550 147 S HA 0.445 4.915 4.470 -0.000 0.000 0.270 147 S C 0.501 175.124 174.600 0.039 0.000 1.145 147 S CA 0.218 58.437 58.200 0.033 0.000 0.852 147 S CB 2.199 65.426 63.200 0.045 0.000 1.119 147 S HN 1.007 nan 8.310 nan 0.000 0.465 148 T N 0.539 115.107 114.554 0.023 0.000 3.107 148 T HA 0.588 4.938 4.350 -0.000 0.000 0.249 148 T C 0.629 175.354 174.700 0.042 0.000 1.096 148 T CA 0.348 62.462 62.100 0.024 0.000 1.012 148 T CB -0.030 68.832 68.868 -0.010 0.000 0.977 148 T HN 0.843 nan 8.240 nan 0.000 0.527 149 A N 1.930 124.780 122.820 0.050 0.000 2.282 149 A HA 0.611 4.931 4.320 -0.000 0.000 0.324 149 A C 0.122 177.743 177.584 0.062 0.000 1.119 149 A CA -1.087 50.987 52.037 0.062 0.000 0.880 149 A CB 0.663 19.705 19.000 0.071 0.000 1.294 149 A HN 0.599 nan 8.150 nan 0.000 0.493 150 E N 0.648 120.893 120.200 0.075 0.000 2.417 150 E HA 0.078 4.428 4.350 -0.000 0.000 0.261 150 E C -0.150 176.458 176.600 0.013 0.000 1.000 150 E CA -0.261 56.181 56.400 0.071 0.000 0.919 150 E CB 0.197 29.979 29.700 0.137 0.000 0.955 150 E HN 0.527 nan 8.360 nan 0.000 0.455 151 L N 2.170 123.398 121.223 0.008 0.000 2.351 151 L HA -0.254 4.086 4.340 -0.000 0.000 0.220 151 L C 1.801 178.594 176.870 -0.128 0.000 1.127 151 L CA 1.210 56.036 54.840 -0.023 0.000 0.786 151 L CB -0.404 41.666 42.059 0.019 0.000 0.914 151 L HN 0.556 nan 8.230 nan 0.000 0.443 152 Q N -1.029 118.608 119.800 -0.272 0.000 2.451 152 Q HA 0.017 4.357 4.340 -0.000 0.000 0.206 152 Q C 0.347 175.945 176.000 -0.671 0.000 0.947 152 Q CA 0.180 55.606 55.803 -0.628 0.000 0.937 152 Q CB -0.182 27.827 28.738 -1.215 0.000 1.025 152 Q HN 0.265 nan 8.270 nan 0.000 0.511 153 D N -0.524 119.696 120.400 -0.300 0.000 2.399 153 D HA 0.180 4.820 4.640 -0.000 0.000 0.241 153 D C 0.970 177.233 176.300 -0.062 0.000 1.133 153 D CA 0.506 54.458 54.000 -0.080 0.000 0.890 153 D CB 0.931 41.763 40.800 0.054 0.000 1.201 153 D HN 0.118 nan 8.370 nan 0.000 0.432 154 A N 2.709 125.528 122.820 -0.002 0.000 1.909 154 A HA -0.311 4.009 4.320 -0.000 0.000 0.221 154 A C 2.136 179.697 177.584 -0.037 0.000 1.223 154 A CA 2.787 54.810 52.037 -0.023 0.000 0.658 154 A CB -1.230 17.781 19.000 0.018 0.000 0.831 154 A HN 0.723 nan 8.150 nan 0.000 0.462 155 T N 0.153 114.727 114.554 0.034 0.000 2.622 155 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 155 T C -0.073 174.672 174.700 0.075 0.000 1.047 155 T CA 1.866 64.019 62.100 0.088 0.000 1.159 155 T CB -1.112 67.870 68.868 0.189 0.000 0.863 155 T HN 0.599 nan 8.240 nan 0.000 0.422 156 P HA 0.193 nan 4.420 nan 0.000 0.227 156 P C 1.222 178.513 177.300 -0.015 0.000 1.161 156 P CA 0.877 64.005 63.100 0.048 0.000 0.788 156 P CB -0.074 31.648 31.700 0.037 0.000 0.822 157 A N 0.850 123.627 122.820 -0.072 0.000 2.014 157 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 157 A C 2.413 179.903 177.584 -0.156 0.000 1.163 157 A CA 1.473 53.434 52.037 -0.127 0.000 0.652 157 A CB -1.346 17.550 19.000 -0.172 0.000 0.808 157 A HN 0.211 nan 8.150 nan 0.000 0.449 158 A N -0.368 122.356 122.820 -0.160 0.000 2.070 158 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 158 A C 1.896 179.352 177.584 -0.212 0.000 1.159 158 A CA 1.169 53.068 52.037 -0.230 0.000 0.656 158 A CB -0.457 18.357 19.000 -0.310 0.000 0.800 158 A HN 0.476 nan 8.150 nan 0.000 0.453 159 L N -0.692 120.467 121.223 -0.108 0.000 2.558 159 L HA 0.019 4.359 4.340 -0.000 0.000 0.225 159 L C 1.447 178.273 176.870 -0.073 0.000 1.128 159 L CA 0.710 55.524 54.840 -0.044 0.000 0.868 159 L CB 0.375 42.494 42.059 0.099 0.000 1.006 159 L HN 0.419 nan 8.230 nan 0.000 0.454 160 V N -5.663 114.170 119.914 -0.135 0.000 3.432 160 V HA 0.565 4.685 4.120 -0.000 0.000 0.290 160 V C 0.257 176.227 176.094 -0.206 0.000 1.591 160 V CA -0.090 62.137 62.300 -0.122 0.000 1.069 160 V CB 0.139 31.937 31.823 -0.041 0.000 0.892 160 V HN 0.041 nan 8.190 nan 0.000 0.436 161 A N 0.218 122.837 122.820 -0.335 0.000 2.386 161 A HA 0.879 5.199 4.320 -0.000 0.000 0.311 161 A C -1.054 176.226 177.584 -0.507 0.000 1.068 161 A CA -0.438 51.412 52.037 -0.312 0.000 0.743 161 A CB 1.124 20.011 19.000 -0.189 0.000 1.258 161 A HN 0.496 nan 8.150 nan 0.000 0.429 162 H N 1.756 120.797 119.070 -0.049 0.000 2.866 162 H HA 0.497 5.053 4.556 -0.000 0.000 0.287 162 H C -0.757 174.551 175.328 -0.034 0.000 1.106 162 H CA -0.214 55.806 56.048 -0.046 0.000 1.396 162 H CB 1.129 30.867 29.762 -0.039 0.000 1.469 162 H HN 0.728 nan 8.280 nan 0.000 0.500 163 V N -0.012 119.921 119.914 0.032 0.000 3.078 163 V HA 0.380 4.500 4.120 -0.000 0.000 0.311 163 V C 1.225 177.338 176.094 0.032 0.000 1.138 163 V CA -0.672 61.647 62.300 0.031 0.000 1.007 163 V CB 1.888 33.716 31.823 0.008 0.000 1.045 163 V HN 0.622 nan 8.190 nan 0.000 0.432 164 T N -1.629 112.965 114.554 0.067 0.000 2.995 164 T HA 0.120 4.470 4.350 -0.000 0.000 0.269 164 T C 0.808 175.580 174.700 0.120 0.000 1.091 164 T CA 1.115 63.293 62.100 0.131 0.000 1.128 164 T CB -0.112 68.842 68.868 0.143 0.000 0.891 164 T HN 1.337 nan 8.240 nan 0.000 0.492 165 S N 0.694 116.431 115.700 0.061 0.000 2.619 165 S HA 0.390 4.860 4.470 -0.000 0.000 0.280 165 S C 0.849 175.469 174.600 0.033 0.000 1.150 165 S CA -1.042 57.188 58.200 0.051 0.000 0.978 165 S CB 1.427 64.666 63.200 0.064 0.000 1.041 165 S HN 0.510 nan 8.310 nan 0.000 0.485 166 R N 3.550 124.061 120.500 0.018 0.000 2.303 166 R HA 0.021 4.361 4.340 -0.000 0.000 0.225 166 R C 1.033 177.427 176.300 0.156 0.000 1.114 166 R CA 1.195 57.323 56.100 0.046 0.000 1.007 166 R CB -0.361 29.957 30.300 0.030 0.000 0.861 166 R HN 0.490 nan 8.270 nan 0.000 0.471 167 K N 0.337 120.802 120.400 0.110 0.000 2.486 167 K HA 0.051 4.371 4.320 -0.000 0.000 0.194 167 K C 0.018 176.699 176.600 0.135 0.000 1.033 167 K CA 0.341 56.681 56.287 0.090 0.000 1.004 167 K CB 0.234 32.736 32.500 0.002 0.000 0.798 167 K HN 0.189 nan 8.250 nan 0.000 0.495 168 c N 2.274 120.962 118.600 0.147 0.000 3.057 168 c HA 0.151 4.721 4.570 -0.000 0.000 0.563 168 c C 1.296 175.486 174.090 0.166 0.000 1.129 168 c CA -0.928 55.471 56.329 0.116 0.000 1.284 168 c CB -2.211 40.332 42.510 0.055 0.000 1.532 168 c HN 0.373 nan 8.230 nan 0.000 0.631 169 Y N 1.817 122.085 120.300 -0.054 0.000 2.097 169 Y HA 0.057 4.607 4.550 -0.000 0.000 0.282 169 Y C 1.905 177.741 175.900 -0.107 0.000 1.152 169 Y CA 1.842 59.898 58.100 -0.075 0.000 1.136 169 Y CB -0.638 37.786 38.460 -0.061 0.000 0.975 169 Y HN 0.542 nan 8.280 nan 0.000 0.498 170 G N -3.035 105.818 108.800 0.087 0.000 3.105 170 G HA2 0.373 4.333 3.960 -0.000 0.000 0.277 170 G HA3 0.373 4.333 3.960 -0.000 0.000 0.277 170 G C -2.155 172.740 174.900 -0.009 0.000 1.375 170 G CA -1.068 44.023 45.100 -0.015 0.000 0.962 170 G HN -0.211 nan 8.290 nan 0.000 0.541 171 P HA -0.170 nan 4.420 nan 0.000 0.215 171 P C 2.259 179.559 177.300 -0.001 0.000 1.163 171 P CA 2.268 65.363 63.100 -0.008 0.000 0.894 171 P CB 0.191 31.887 31.700 -0.007 0.000 0.791 172 S N -0.983 114.716 115.700 -0.003 0.000 2.365 172 S HA -0.254 4.216 4.470 -0.000 0.000 0.221 172 S C 2.019 176.617 174.600 -0.004 0.000 1.037 172 S CA 1.912 60.110 58.200 -0.004 0.000 1.060 172 S CB -1.252 61.944 63.200 -0.008 0.000 0.974 172 S HN 0.087 nan 8.310 nan 0.000 0.427 173 A N 0.298 123.117 122.820 -0.002 0.000 1.908 173 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 173 A C 2.386 179.975 177.584 0.009 0.000 1.181 173 A CA 2.402 54.437 52.037 -0.002 0.000 0.627 173 A CB -1.603 17.397 19.000 -0.000 0.000 0.818 173 A HN 0.634 nan 8.150 nan 0.000 0.445 174 T N 0.138 114.702 114.554 0.016 0.000 2.708 174 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 174 T C 2.234 176.941 174.700 0.012 0.000 1.037 174 T CA 1.744 63.854 62.100 0.016 0.000 1.146 174 T CB -0.400 68.475 68.868 0.012 0.000 0.865 174 T HN 0.501 nan 8.240 nan 0.000 0.435 175 S N 0.759 116.463 115.700 0.007 0.000 2.400 175 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 175 S C 2.054 176.656 174.600 0.004 0.000 1.025 175 S CA 1.275 59.478 58.200 0.006 0.000 0.993 175 S CB -0.223 62.979 63.200 0.004 0.000 0.808 175 S HN 0.613 nan 8.310 nan 0.000 0.478 176 E N 0.743 120.944 120.200 0.002 0.000 2.075 176 E HA -0.012 4.338 4.350 -0.000 0.000 0.190 176 E C 1.612 178.213 176.600 0.003 0.000 0.969 176 E CA 0.679 57.079 56.400 -0.000 0.000 0.815 176 E CB 0.086 29.783 29.700 -0.005 0.000 0.776 176 E HN 0.372 nan 8.360 nan 0.000 0.457 177 K N -0.918 119.486 120.400 0.007 0.000 2.334 177 K HA 0.159 4.479 4.320 -0.000 0.000 0.195 177 K C 0.358 176.972 176.600 0.023 0.000 1.045 177 K CA 0.207 56.502 56.287 0.013 0.000 1.004 177 K CB 0.868 33.376 32.500 0.012 0.000 0.837 177 K HN 0.066 nan 8.250 nan 0.000 0.510 178 c N 2.425 121.039 118.600 0.023 0.000 3.290 178 c HA 0.225 4.795 4.570 -0.000 0.000 0.206 178 c C -1.517 172.586 174.090 0.021 0.000 1.639 178 c CA -1.387 54.958 56.329 0.028 0.000 1.408 178 c CB 0.322 42.852 42.510 0.033 0.000 2.197 178 c HN 0.262 nan 8.230 nan 0.000 0.508 179 P HA -0.171 nan 4.420 nan 0.000 0.216 179 P C 1.651 178.959 177.300 0.013 0.000 1.154 179 P CA 2.200 65.307 63.100 0.012 0.000 0.865 179 P CB 0.136 31.841 31.700 0.008 0.000 0.789 180 G N -0.918 107.891 108.800 0.016 0.000 2.498 180 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 180 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 180 G C 1.342 176.253 174.900 0.018 0.000 1.119 180 G CA 0.632 45.742 45.100 0.016 0.000 0.766 180 G HN 0.389 nan 8.290 nan 0.000 0.552 181 N N -0.149 118.564 118.700 0.022 0.000 2.368 181 N HA 0.282 5.022 4.740 -0.000 0.000 0.178 181 N C 1.111 176.633 175.510 0.020 0.000 1.076 181 N CA 0.011 53.075 53.050 0.024 0.000 0.889 181 N CB 0.358 38.863 38.487 0.029 0.000 1.040 181 N HN 0.246 nan 8.380 nan 0.000 0.463 182 A N 1.236 124.066 122.820 0.017 0.000 2.566 182 A HA -0.051 4.269 4.320 -0.000 0.000 0.245 182 A C 1.287 178.881 177.584 0.016 0.000 1.056 182 A CA -0.043 52.003 52.037 0.014 0.000 0.757 182 A CB 0.038 19.045 19.000 0.011 0.000 0.979 182 A HN 0.301 nan 8.150 nan 0.000 0.508 183 L N 2.361 123.596 121.223 0.020 0.000 1.990 183 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 183 L C 2.524 179.405 176.870 0.019 0.000 1.072 183 L CA 2.726 57.582 54.840 0.025 0.000 0.755 183 L CB -0.528 41.554 42.059 0.037 0.000 0.889 183 L HN 0.877 nan 8.230 nan 0.000 0.432 184 E N -0.045 120.164 120.200 0.016 0.000 2.520 184 E HA -0.207 4.143 4.350 -0.000 0.000 0.201 184 E C 0.743 177.347 176.600 0.007 0.000 1.122 184 E CA 0.804 57.210 56.400 0.010 0.000 0.896 184 E CB -0.317 29.389 29.700 0.009 0.000 0.891 184 E HN 0.607 nan 8.360 nan 0.000 0.533 185 K N -0.655 119.750 120.400 0.008 0.000 2.501 185 K HA 0.237 4.557 4.320 -0.000 0.000 0.204 185 K C 0.668 177.271 176.600 0.005 0.000 1.067 185 K CA 0.241 56.532 56.287 0.005 0.000 1.060 185 K CB 1.194 33.698 32.500 0.006 0.000 0.873 185 K HN 0.213 nan 8.250 nan 0.000 0.540 186 G N 1.125 109.929 108.800 0.007 0.000 2.217 186 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.246 186 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.246 186 G C 0.518 175.423 174.900 0.009 0.000 0.990 186 G CA -0.140 44.963 45.100 0.006 0.000 0.627 186 G HN 0.475 nan 8.290 nan 0.000 0.522 187 G N -0.503 108.305 108.800 0.013 0.000 2.651 187 G HA2 0.465 4.425 3.960 -0.000 0.000 0.260 187 G HA3 0.465 4.425 3.960 -0.000 0.000 0.260 187 G C 0.804 175.718 174.900 0.023 0.000 1.216 187 G CA 0.292 45.402 45.100 0.016 0.000 0.913 187 G HN 0.319 nan 8.290 nan 0.000 0.535 188 K N -0.176 120.241 120.400 0.028 0.000 2.504 188 K HA 0.220 4.540 4.320 -0.000 0.000 0.195 188 K C 1.279 177.903 176.600 0.040 0.000 1.036 188 K CA 0.769 57.080 56.287 0.039 0.000 0.984 188 K CB -0.125 32.404 32.500 0.049 0.000 0.788 188 K HN 0.948 nan 8.250 nan 0.000 0.488 189 G N 0.657 109.475 108.800 0.029 0.000 2.566 189 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.599 189 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.599 189 G C -0.251 174.651 174.900 0.003 0.000 1.292 189 G CA -0.457 44.655 45.100 0.019 0.000 0.922 189 G HN 0.223 nan 8.290 nan 0.000 0.514 190 S N -0.998 114.692 115.700 -0.016 0.000 2.617 190 S HA 0.514 4.984 4.470 -0.000 0.000 0.255 190 S C 1.864 176.425 174.600 -0.064 0.000 1.318 190 S CA 0.175 58.356 58.200 -0.032 0.000 0.978 190 S CB 0.664 63.839 63.200 -0.042 0.000 0.961 190 S HN 0.935 nan 8.310 nan 0.000 0.582 191 I N 0.752 121.270 120.570 -0.086 0.000 2.179 191 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 191 I C 2.674 178.681 176.117 -0.183 0.000 1.088 191 I CA 1.618 62.835 61.300 -0.139 0.000 1.357 191 I CB -1.003 36.882 38.000 -0.192 0.000 1.051 191 I HN 0.726 nan 8.210 nan 0.000 0.409 192 T N 0.078 114.487 114.554 -0.241 0.000 2.777 192 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 192 T C 1.725 176.249 174.700 -0.293 0.000 1.040 192 T CA 1.301 63.181 62.100 -0.367 0.000 1.141 192 T CB -0.257 68.258 68.868 -0.588 0.000 0.868 192 T HN 0.416 nan 8.240 nan 0.000 0.444 193 E N 1.203 121.282 120.200 -0.202 0.000 2.077 193 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 193 E C 2.504 179.061 176.600 -0.073 0.000 0.989 193 E CA 0.927 57.251 56.400 -0.126 0.000 0.800 193 E CB -0.145 29.520 29.700 -0.058 0.000 0.746 193 E HN 0.547 nan 8.360 nan 0.000 0.452 194 Q N 0.542 120.307 119.800 -0.058 0.000 2.167 194 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 194 Q C 2.400 178.383 176.000 -0.029 0.000 0.970 194 Q CA 0.714 56.505 55.803 -0.020 0.000 0.855 194 Q CB -0.094 28.634 28.738 -0.016 0.000 0.911 194 Q HN 0.322 nan 8.270 nan 0.000 0.438 195 L N 0.469 121.648 121.223 -0.073 0.000 2.017 195 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 195 L C 2.046 178.907 176.870 -0.015 0.000 1.073 195 L CA 1.186 55.994 54.840 -0.054 0.000 0.745 195 L CB -0.145 41.862 42.059 -0.087 0.000 0.894 195 L HN 0.226 nan 8.230 nan 0.000 0.432 196 L N 0.158 121.344 121.223 -0.062 0.000 2.131 196 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 196 L C 2.312 179.252 176.870 0.118 0.000 1.092 196 L CA 1.029 55.852 54.840 -0.028 0.000 0.759 196 L CB -0.761 41.215 42.059 -0.139 0.000 0.903 196 L HN 0.420 nan 8.230 nan 0.000 0.435 197 N N 0.177 118.913 118.700 0.061 0.000 2.216 197 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 197 N C 1.937 177.504 175.510 0.094 0.000 1.017 197 N CA 1.356 54.458 53.050 0.086 0.000 0.861 197 N CB -0.222 38.312 38.487 0.078 0.000 0.986 197 N HN 0.269 nan 8.380 nan 0.000 0.428 198 A N 1.043 123.912 122.820 0.082 0.000 1.948 198 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 198 A C 1.029 178.673 177.584 0.101 0.000 1.177 198 A CA 0.854 52.940 52.037 0.081 0.000 0.636 198 A CB -0.536 18.500 19.000 0.060 0.000 0.815 198 A HN 0.423 nan 8.150 nan 0.000 0.449 199 R N -1.526 119.069 120.500 0.158 0.000 3.059 199 R HA -0.167 4.172 4.340 -0.000 0.000 0.251 199 R C 0.067 176.439 176.300 0.120 0.000 0.886 199 R CA 0.124 56.336 56.100 0.186 0.000 0.634 199 R CB -1.802 28.535 30.300 0.061 0.000 1.282 199 R HN 0.850 nan 8.270 nan 0.000 0.487 200 A N 1.358 124.266 122.820 0.146 0.000 2.332 200 A HA 0.178 4.498 4.320 -0.000 0.000 0.258 200 A C 0.972 178.615 177.584 0.098 0.000 1.087 200 A CA -0.153 51.952 52.037 0.114 0.000 0.802 200 A CB 0.395 19.467 19.000 0.120 0.000 1.042 200 A HN 0.568 nan 8.150 nan 0.000 0.489 201 D N -0.268 120.173 120.400 0.068 0.000 2.097 201 D HA -0.044 4.596 4.640 -0.000 0.000 0.195 201 D C 0.208 176.528 176.300 0.033 0.000 0.989 201 D CA 1.700 55.721 54.000 0.034 0.000 0.827 201 D CB -0.044 40.767 40.800 0.019 0.000 0.966 201 D HN 0.198 nan 8.370 nan 0.000 0.456 202 V N 0.614 120.546 119.914 0.032 0.000 2.482 202 V HA 0.299 4.419 4.120 -0.000 0.000 0.295 202 V C -0.407 175.707 176.094 0.033 0.000 1.026 202 V CA -0.507 61.803 62.300 0.017 0.000 0.856 202 V CB 2.128 33.930 31.823 -0.036 0.000 1.001 202 V HN -0.138 nan 8.190 nan 0.000 0.424 203 T N 6.886 121.461 114.554 0.034 0.000 2.864 203 T HA 0.681 5.031 4.350 -0.000 0.000 0.299 203 T C -0.601 174.096 174.700 -0.006 0.000 1.011 203 T CA -0.267 61.846 62.100 0.021 0.000 0.975 203 T CB 0.669 69.548 68.868 0.018 0.000 0.962 203 T HN 0.358 nan 8.240 nan 0.000 0.448 204 L N 2.686 123.929 121.223 0.034 0.000 2.386 204 L HA 0.922 5.262 4.340 -0.000 0.000 0.271 204 L C 0.621 177.566 176.870 0.126 0.000 0.993 204 L CA -0.612 54.294 54.840 0.109 0.000 0.819 204 L CB 2.069 44.266 42.059 0.230 0.000 1.294 204 L HN 0.878 nan 8.230 nan 0.000 0.414 205 G N 1.215 110.102 108.800 0.144 0.000 2.404 205 G HA2 0.444 4.404 3.960 -0.000 0.000 0.253 205 G HA3 0.444 4.404 3.960 -0.000 0.000 0.253 205 G C -0.993 173.960 174.900 0.088 0.000 1.253 205 G CA 0.007 45.194 45.100 0.146 0.000 0.917 205 G HN 0.823 nan 8.290 nan 0.000 0.480 206 G N -2.232 106.606 108.800 0.064 0.000 2.857 206 G HA2 0.659 4.619 3.960 -0.000 0.000 0.217 206 G HA3 0.659 4.619 3.960 -0.000 0.000 0.217 206 G C 0.981 175.895 174.900 0.025 0.000 1.357 206 G CA 0.521 45.644 45.100 0.038 0.000 1.033 206 G HN 2.390 nan 8.290 nan 0.000 0.571 207 G N -1.961 106.872 108.800 0.056 0.000 2.165 207 G HA2 0.153 4.113 3.960 -0.000 0.000 0.226 207 G HA3 0.153 4.113 3.960 -0.000 0.000 0.226 207 G C 1.093 176.094 174.900 0.168 0.000 1.035 207 G CA 0.995 46.164 45.100 0.115 0.000 0.744 207 G HN 1.596 nan 8.290 nan 0.000 0.501 208 A N -0.020 122.834 122.820 0.057 0.000 1.972 208 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 208 A C 2.156 179.845 177.584 0.175 0.000 1.169 208 A CA 2.366 54.420 52.037 0.027 0.000 0.635 208 A CB -0.343 18.599 19.000 -0.096 0.000 0.810 208 A HN 0.760 nan 8.150 nan 0.000 0.446 209 K N -0.581 119.896 120.400 0.129 0.000 2.077 209 K HA -0.225 4.095 4.320 -0.000 0.000 0.213 209 K C 1.811 178.487 176.600 0.128 0.000 1.051 209 K CA 2.187 58.540 56.287 0.110 0.000 0.929 209 K CB -0.422 32.132 32.500 0.090 0.000 0.715 209 K HN 0.439 nan 8.250 nan 0.000 0.451 210 T N 0.307 114.956 114.554 0.159 0.000 2.915 210 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 210 T C 1.114 175.799 174.700 -0.025 0.000 1.071 210 T CA 0.985 63.119 62.100 0.056 0.000 1.132 210 T CB -0.213 68.656 68.868 0.002 0.000 0.878 210 T HN 0.177 nan 8.240 nan 0.000 0.479 211 F N 1.285 121.210 119.950 -0.042 0.000 2.771 211 F HA 0.246 4.773 4.527 -0.000 0.000 0.299 211 F C 2.159 177.930 175.800 -0.047 0.000 1.177 211 F CA -0.170 57.790 58.000 -0.067 0.000 1.450 211 F CB -0.462 38.476 39.000 -0.103 0.000 1.114 211 F HN 0.149 nan 8.300 nan 0.000 0.587 212 A N -0.934 121.953 122.820 0.112 0.000 2.081 212 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 212 A C 1.150 178.753 177.584 0.033 0.000 1.158 212 A CA 0.017 52.092 52.037 0.064 0.000 0.724 212 A CB -0.321 18.710 19.000 0.052 0.000 0.826 212 A HN 0.261 nan 8.150 nan 0.000 0.463 213 E N 0.600 120.807 120.200 0.011 0.000 2.409 213 E HA 0.293 4.643 4.350 -0.000 0.000 0.257 213 E C -0.040 176.561 176.600 0.001 0.000 1.150 213 E CA 0.590 56.989 56.400 -0.003 0.000 0.942 213 E CB 0.416 30.101 29.700 -0.024 0.000 0.979 213 E HN 0.429 nan 8.360 nan 0.000 0.447 214 T N -2.010 112.549 114.554 0.009 0.000 2.841 214 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 214 T C -0.184 174.533 174.700 0.029 0.000 1.000 214 T CA -1.056 61.060 62.100 0.026 0.000 0.977 214 T CB 1.608 70.496 68.868 0.034 0.000 0.979 214 T HN 0.518 nan 8.240 nan 0.000 0.446 215 A N 2.558 125.410 122.820 0.053 0.000 2.561 215 A HA 0.397 4.716 4.320 -0.000 0.000 0.234 215 A C 1.631 179.246 177.584 0.052 0.000 1.055 215 A CA 0.260 52.337 52.037 0.066 0.000 0.756 215 A CB -0.296 18.785 19.000 0.134 0.000 0.986 215 A HN 1.265 nan 8.150 nan 0.000 0.505 216 T N -0.693 113.884 114.554 0.038 0.000 3.067 216 T HA 0.494 4.844 4.350 -0.000 0.000 0.257 216 T C 0.649 175.365 174.700 0.026 0.000 1.105 216 T CA 0.990 63.105 62.100 0.027 0.000 1.104 216 T CB -0.230 68.649 68.868 0.018 0.000 0.925 216 T HN 1.823 nan 8.240 nan 0.000 0.498 217 A N -0.528 122.313 122.820 0.036 0.000 2.588 217 A HA 0.798 5.118 4.320 -0.000 0.000 0.309 217 A C 0.363 177.969 177.584 0.036 0.000 1.173 217 A CA -0.232 51.819 52.037 0.024 0.000 0.631 217 A CB 0.463 19.471 19.000 0.014 0.000 1.364 217 A HN 1.540 nan 8.150 nan 0.000 0.526 218 G N -0.869 107.932 108.800 0.000 0.000 2.796 218 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.571 218 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.571 218 G C 0.484 175.295 174.900 -0.148 0.000 1.370 218 G CA 0.918 46.000 45.100 -0.029 0.000 0.856 218 G HN 1.605 nan 8.290 nan 0.000 0.538 219 E N -0.905 119.057 120.200 -0.396 0.000 2.209 219 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 219 E C 0.770 176.924 176.600 -0.743 0.000 0.993 219 E CA 1.582 57.533 56.400 -0.748 0.000 0.819 219 E CB -0.051 28.833 29.700 -1.360 0.000 0.745 219 E HN 0.527 nan 8.360 nan 0.000 0.477 220 W N 2.128 123.435 121.300 0.013 0.000 2.616 220 W HA 0.272 4.932 4.660 -0.000 0.000 0.419 220 W C 0.075 176.599 176.519 0.008 0.000 0.835 220 W CA -0.798 56.556 57.345 0.014 0.000 2.483 220 W CB -0.486 28.986 29.460 0.021 0.000 1.289 220 W HN 0.129 nan 8.180 nan 0.000 0.755 221 Q N -0.159 119.701 119.800 0.100 0.000 2.395 221 Q HA 0.271 4.611 4.340 -0.000 0.000 0.271 221 Q C 1.601 177.646 176.000 0.075 0.000 1.026 221 Q CA 1.875 57.721 55.803 0.073 0.000 0.900 221 Q CB 0.756 29.506 28.738 0.021 0.000 1.266 221 Q HN 0.521 nan 8.270 nan 0.000 0.430 222 G N 2.470 111.307 108.800 0.062 0.000 2.284 222 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.268 222 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.268 222 G C 0.086 175.026 174.900 0.067 0.000 0.980 222 G CA 0.991 46.123 45.100 0.052 0.000 0.631 222 G HN 0.553 nan 8.290 nan 0.000 0.548 223 K N 1.889 122.350 120.400 0.103 0.000 2.172 223 K HA 0.568 4.888 4.320 -0.000 0.000 0.276 223 K C 1.096 177.751 176.600 0.092 0.000 1.013 223 K CA 0.242 56.599 56.287 0.116 0.000 0.913 223 K CB 0.684 33.301 32.500 0.196 0.000 1.055 223 K HN 0.344 nan 8.250 nan 0.000 0.461 224 T N 1.633 116.224 114.554 0.063 0.000 2.900 224 T HA 0.071 4.421 4.350 -0.000 0.000 0.307 224 T C 1.231 175.948 174.700 0.028 0.000 1.065 224 T CA -0.500 61.625 62.100 0.043 0.000 1.105 224 T CB 0.469 69.363 68.868 0.043 0.000 0.979 224 T HN 0.398 nan 8.240 nan 0.000 0.544 225 L N 1.091 122.314 121.223 0.001 0.000 2.131 225 L HA 0.056 4.396 4.340 -0.000 0.000 0.210 225 L C 2.901 179.819 176.870 0.080 0.000 1.092 225 L CA 1.626 56.439 54.840 -0.044 0.000 0.759 225 L CB -1.146 40.786 42.059 -0.213 0.000 0.903 225 L HN 0.795 nan 8.230 nan 0.000 0.435 226 R N -0.098 120.493 120.500 0.152 0.000 2.066 226 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 226 R C 2.169 178.483 176.300 0.022 0.000 1.131 226 R CA 1.440 57.610 56.100 0.116 0.000 0.955 226 R CB -0.053 30.285 30.300 0.063 0.000 0.851 226 R HN 0.416 nan 8.270 nan 0.000 0.432 227 E N 0.318 120.531 120.200 0.022 0.000 2.038 227 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 227 E C 2.076 178.663 176.600 -0.023 0.000 1.000 227 E CA 1.659 58.069 56.400 0.016 0.000 0.803 227 E CB -0.129 29.597 29.700 0.044 0.000 0.750 227 E HN 0.425 nan 8.360 nan 0.000 0.448 228 Q N 0.674 120.425 119.800 -0.081 0.000 2.112 228 Q HA -0.257 4.083 4.340 -0.000 0.000 0.206 228 Q C 2.105 177.921 176.000 -0.307 0.000 0.987 228 Q CA 1.727 57.328 55.803 -0.336 0.000 0.858 228 Q CB -0.176 28.302 28.738 -0.432 0.000 0.905 228 Q HN 0.255 nan 8.270 nan 0.000 0.420 229 A N 0.545 123.279 122.820 -0.143 0.000 1.851 229 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 229 A C 2.031 179.664 177.584 0.082 0.000 1.195 229 A CA 1.860 53.866 52.037 -0.051 0.000 0.622 229 A CB -0.966 17.953 19.000 -0.136 0.000 0.831 229 A HN 0.539 nan 8.150 nan 0.000 0.444 230 Q N -0.249 119.563 119.800 0.020 0.000 2.096 230 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 230 Q C 1.964 177.986 176.000 0.038 0.000 0.982 230 Q CA 2.255 58.080 55.803 0.035 0.000 0.850 230 Q CB -0.610 28.136 28.738 0.012 0.000 0.901 230 Q HN 0.577 nan 8.270 nan 0.000 0.422 231 A N 0.009 122.841 122.820 0.020 0.000 2.067 231 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 231 A C 1.583 179.207 177.584 0.066 0.000 1.158 231 A CA 1.061 53.135 52.037 0.061 0.000 0.661 231 A CB -0.247 18.823 19.000 0.117 0.000 0.801 231 A HN 0.335 nan 8.150 nan 0.000 0.452 232 R N -1.328 119.168 120.500 -0.006 0.000 2.426 232 R HA 0.267 4.606 4.340 -0.000 0.000 0.263 232 R C 1.053 177.322 176.300 -0.053 0.000 0.961 232 R CA 0.463 56.557 56.100 -0.009 0.000 1.086 232 R CB 0.026 30.259 30.300 -0.112 0.000 1.186 232 R HN 0.601 nan 8.270 nan 0.000 0.537 233 G N 0.267 109.052 108.800 -0.025 0.000 2.176 233 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.253 233 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.253 233 G C -0.197 174.630 174.900 -0.121 0.000 0.979 233 G CA -0.339 44.714 45.100 -0.078 0.000 0.641 233 G HN 0.293 nan 8.290 nan 0.000 0.530 234 Y N 0.868 121.136 120.300 -0.054 0.000 2.511 234 Y HA 0.387 4.937 4.550 -0.000 0.000 0.332 234 Y C 1.075 176.936 175.900 -0.063 0.000 1.177 234 Y CA 0.593 58.655 58.100 -0.062 0.000 1.422 234 Y CB 0.840 39.252 38.460 -0.080 0.000 1.271 234 Y HN 0.260 nan 8.280 nan 0.000 0.550 235 Q N 4.315 124.178 119.800 0.105 0.000 2.421 235 Q HA 0.368 4.708 4.340 -0.000 0.000 0.242 235 Q C -1.811 174.196 176.000 0.013 0.000 1.024 235 Q CA -0.745 55.078 55.803 0.035 0.000 0.891 235 Q CB 0.209 28.953 28.738 0.009 0.000 1.222 235 Q HN 0.566 nan 8.270 nan 0.000 0.483 236 L N 4.011 125.216 121.223 -0.030 0.000 2.334 236 L HA 0.535 4.875 4.340 -0.000 0.000 0.277 236 L C -0.149 176.655 176.870 -0.109 0.000 1.075 236 L CA -0.423 54.352 54.840 -0.110 0.000 0.804 236 L CB 1.518 43.483 42.059 -0.158 0.000 1.174 236 L HN 0.457 nan 8.230 nan 0.000 0.438 237 V N -1.142 118.673 119.914 -0.165 0.000 3.102 237 V HA 0.884 5.004 4.120 -0.000 0.000 0.312 237 V C 0.070 176.028 176.094 -0.228 0.000 1.135 237 V CA -0.064 62.166 62.300 -0.117 0.000 1.022 237 V CB 1.897 33.712 31.823 -0.013 0.000 1.056 237 V HN 0.756 nan 8.190 nan 0.000 0.436 238 S N -1.066 114.579 115.700 -0.091 0.000 2.911 238 S HA 0.407 4.877 4.470 -0.000 0.000 0.261 238 S C -0.254 174.461 174.600 0.191 0.000 1.021 238 S CA 0.307 58.450 58.200 -0.095 0.000 1.222 238 S CB -0.612 62.536 63.200 -0.087 0.000 1.171 238 S HN 1.287 nan 8.310 nan 0.000 0.669 239 D N -0.709 119.883 120.400 0.319 0.000 2.692 239 D HA 0.720 5.360 4.640 -0.000 0.000 0.303 239 D C 1.001 177.400 176.300 0.165 0.000 1.278 239 D CA -0.437 53.724 54.000 0.269 0.000 0.852 239 D CB 0.624 41.490 40.800 0.110 0.000 1.375 239 D HN 0.005 nan 8.370 nan 0.000 0.453 240 A N 0.165 122.984 122.820 -0.001 0.000 1.883 240 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 240 A C 2.222 179.798 177.584 -0.014 0.000 1.186 240 A CA 2.612 54.606 52.037 -0.071 0.000 0.624 240 A CB -1.497 17.448 19.000 -0.090 0.000 0.822 240 A HN 0.729 nan 8.150 nan 0.000 0.444 241 A N 0.370 123.194 122.820 0.007 0.000 1.858 241 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 241 A C 2.558 180.155 177.584 0.023 0.000 1.190 241 A CA 2.675 54.718 52.037 0.009 0.000 0.617 241 A CB -1.183 17.823 19.000 0.009 0.000 0.827 241 A HN 1.070 nan 8.150 nan 0.000 0.443 242 S N -0.286 115.440 115.700 0.044 0.000 2.382 242 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 242 S C 1.856 176.492 174.600 0.061 0.000 1.027 242 S CA 1.532 59.760 58.200 0.046 0.000 0.991 242 S CB -0.644 62.584 63.200 0.047 0.000 0.823 242 S HN 0.513 nan 8.310 nan 0.000 0.469 243 L N 2.711 123.997 121.223 0.105 0.000 2.044 243 L HA 0.092 4.432 4.340 -0.000 0.000 0.205 243 L C 2.170 179.061 176.870 0.036 0.000 1.075 243 L CA 1.966 56.873 54.840 0.111 0.000 0.747 243 L CB -1.224 40.931 42.059 0.161 0.000 0.903 243 L HN 0.352 nan 8.230 nan 0.000 0.435 244 N N -0.884 117.821 118.700 0.009 0.000 2.443 244 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 244 N C 1.538 177.045 175.510 -0.004 0.000 1.037 244 N CA 1.142 54.186 53.050 -0.010 0.000 0.896 244 N CB 0.138 38.613 38.487 -0.020 0.000 0.959 244 N HN 0.436 nan 8.380 nan 0.000 0.442 245 S N 0.021 115.724 115.700 0.005 0.000 2.436 245 S HA -0.010 4.460 4.470 -0.000 0.000 0.228 245 S C 0.901 175.501 174.600 0.000 0.000 1.014 245 S CA 0.188 58.390 58.200 0.002 0.000 0.950 245 S CB -0.028 63.175 63.200 0.005 0.000 0.784 245 S HN 0.363 nan 8.310 nan 0.000 0.504 246 V N 2.421 122.336 119.914 0.002 0.000 2.599 246 V HA 0.264 4.384 4.120 -0.000 0.000 0.300 246 V C 0.936 177.024 176.094 -0.010 0.000 1.034 246 V CA 0.575 62.873 62.300 -0.003 0.000 1.115 246 V CB 0.624 32.447 31.823 0.000 0.000 0.934 246 V HN 0.390 nan 8.190 nan 0.000 0.485 247 T N 0.727 115.275 114.554 -0.011 0.000 3.010 247 T HA 0.425 4.775 4.350 -0.000 0.000 0.257 247 T C 0.240 174.930 174.700 -0.016 0.000 1.020 247 T CA 0.089 62.181 62.100 -0.013 0.000 0.938 247 T CB -0.141 68.722 68.868 -0.008 0.000 1.049 247 T HN 0.827 nan 8.240 nan 0.000 0.522 248 E N 0.197 120.386 120.200 -0.017 0.000 2.372 248 E HA 0.678 5.028 4.350 -0.000 0.000 0.279 248 E C -1.734 174.853 176.600 -0.023 0.000 0.946 248 E CA -1.105 55.283 56.400 -0.020 0.000 0.769 248 E CB 2.345 32.036 29.700 -0.014 0.000 1.230 248 E HN 0.242 nan 8.360 nan 0.000 0.442 249 A N 2.661 125.464 122.820 -0.027 0.000 2.446 249 A HA 0.655 4.975 4.320 -0.000 0.000 0.282 249 A C -1.079 176.490 177.584 -0.025 0.000 1.102 249 A CA -0.682 51.338 52.037 -0.027 0.000 0.737 249 A CB 0.162 19.142 19.000 -0.033 0.000 1.212 249 A HN 0.690 nan 8.150 nan 0.000 0.434 250 N N 0.708 119.390 118.700 -0.029 0.000 3.278 250 N HA 0.345 5.085 4.740 -0.000 0.000 0.307 250 N C 0.434 175.914 175.510 -0.051 0.000 1.551 250 N CA -0.734 52.299 53.050 -0.027 0.000 0.794 250 N CB 0.420 38.894 38.487 -0.021 0.000 1.770 250 N HN 0.113 nan 8.380 nan 0.000 0.612 251 Q N -0.576 119.197 119.800 -0.046 0.000 2.170 251 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 251 Q C 1.013 176.946 176.000 -0.112 0.000 0.976 251 Q CA 1.827 57.587 55.803 -0.072 0.000 0.858 251 Q CB -0.389 28.326 28.738 -0.039 0.000 0.907 251 Q HN 0.657 nan 8.270 nan 0.000 0.433 252 Q N 0.040 119.790 119.800 -0.083 0.000 2.354 252 Q HA 0.071 4.411 4.340 -0.000 0.000 0.203 252 Q C 0.231 176.168 176.000 -0.106 0.000 0.933 252 Q CA 0.776 56.528 55.803 -0.086 0.000 0.901 252 Q CB 0.518 29.227 28.738 -0.048 0.000 1.007 252 Q HN 0.133 nan 8.270 nan 0.000 0.495 253 K N 1.061 121.401 120.400 -0.099 0.000 3.206 253 K HA 0.245 4.565 4.320 -0.000 0.000 0.180 253 K C -2.656 173.891 176.600 -0.089 0.000 1.088 253 K CA -1.412 54.823 56.287 -0.087 0.000 0.872 253 K CB 1.418 33.890 32.500 -0.046 0.000 0.976 253 K HN 0.017 nan 8.250 nan 0.000 0.564 254 P HA -0.045 nan 4.420 nan 0.000 0.266 254 P C -0.413 176.929 177.300 0.070 0.000 1.215 254 P CA -0.456 62.586 63.100 -0.098 0.000 0.763 254 P CB 0.718 32.226 31.700 -0.320 0.000 0.806 255 L N 5.622 126.885 121.223 0.067 0.000 2.367 255 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 255 L C -0.462 176.450 176.870 0.070 0.000 1.129 255 L CA -0.224 54.652 54.840 0.059 0.000 0.839 255 L CB 0.150 42.220 42.059 0.019 0.000 1.133 255 L HN 0.242 nan 8.230 nan 0.000 0.453 256 L N 5.736 126.958 121.223 -0.002 0.000 2.442 256 L HA 0.634 4.974 4.340 -0.000 0.000 0.261 256 L C -0.075 176.624 176.870 -0.285 0.000 1.000 256 L CA -0.086 54.671 54.840 -0.139 0.000 0.882 256 L CB 1.012 42.925 42.059 -0.243 0.000 1.207 256 L HN 0.656 nan 8.230 nan 0.000 0.443 257 G N 5.330 113.941 108.800 -0.315 0.000 2.338 257 G HA2 0.519 4.479 3.960 -0.000 0.000 0.295 257 G HA3 0.519 4.479 3.960 -0.000 0.000 0.295 257 G C -0.774 173.536 174.900 -0.984 0.000 1.132 257 G CA -0.355 44.316 45.100 -0.715 0.000 0.922 257 G HN 0.535 nan 8.290 nan 0.000 0.427 258 L N 3.263 123.860 121.223 -1.043 0.000 2.384 258 L HA 0.316 4.656 4.340 -0.000 0.000 0.261 258 L C -0.088 176.378 176.870 -0.673 0.000 1.024 258 L CA -0.641 53.768 54.840 -0.718 0.000 0.899 258 L CB 0.933 42.655 42.059 -0.563 0.000 1.243 258 L HN 0.559 nan 8.230 nan 0.000 0.449 259 F N 1.328 121.231 119.950 -0.078 0.000 2.765 259 F HA 0.448 4.975 4.527 -0.000 0.000 0.302 259 F C 1.124 176.902 175.800 -0.037 0.000 1.111 259 F CA -0.274 57.694 58.000 -0.055 0.000 1.359 259 F CB 0.235 39.207 39.000 -0.047 0.000 1.097 259 F HN 0.411 nan 8.300 nan 0.000 0.577 260 A N -0.626 122.233 122.820 0.065 0.000 2.612 260 A HA 0.398 4.718 4.320 -0.000 0.000 0.293 260 A C 0.004 177.602 177.584 0.022 0.000 1.075 260 A CA -0.549 51.520 52.037 0.054 0.000 0.680 260 A CB 0.369 19.414 19.000 0.075 0.000 1.279 260 A HN 0.006 nan 8.150 nan 0.000 0.411 261 D N 0.153 120.570 120.400 0.029 0.000 2.117 261 D HA 0.180 4.820 4.640 -0.000 0.000 0.198 261 D C 1.233 177.568 176.300 0.058 0.000 0.982 261 D CA 2.758 56.778 54.000 0.034 0.000 0.828 261 D CB 0.167 40.986 40.800 0.032 0.000 0.967 261 D HN 0.741 nan 8.370 nan 0.000 0.464 262 G N -1.193 107.642 108.800 0.060 0.000 3.407 262 G HA2 0.195 4.155 3.960 -0.000 0.000 0.187 262 G HA3 0.195 4.155 3.960 -0.000 0.000 0.187 262 G C -0.348 174.597 174.900 0.075 0.000 1.262 262 G CA -0.504 44.642 45.100 0.078 0.000 0.808 262 G HN 0.022 nan 8.290 nan 0.000 0.687 263 N N 0.723 119.466 118.700 0.072 0.000 2.482 263 N HA 0.231 4.971 4.740 -0.000 0.000 0.260 263 N C 0.201 175.745 175.510 0.057 0.000 1.236 263 N CA 0.134 53.224 53.050 0.066 0.000 0.938 263 N CB 0.903 39.427 38.487 0.062 0.000 1.128 263 N HN 0.273 nan 8.380 nan 0.000 0.448 264 M N 2.052 121.686 119.600 0.057 0.000 2.240 264 M HA 0.172 4.651 4.480 -0.000 0.000 0.333 264 M C -1.729 174.589 176.300 0.030 0.000 1.110 264 M CA -1.208 54.123 55.300 0.051 0.000 1.173 264 M CB 0.168 32.799 32.600 0.051 0.000 1.458 264 M HN 0.273 nan 8.290 nan 0.000 0.458 265 P HA 0.097 nan 4.420 nan 0.000 0.268 265 P C -0.712 176.592 177.300 0.007 0.000 1.205 265 P CA -0.338 62.774 63.100 0.019 0.000 0.771 265 P CB 0.239 31.952 31.700 0.022 0.000 0.858 266 V N 1.328 121.249 119.914 0.011 0.000 3.003 266 V HA 0.262 4.382 4.120 -0.000 0.000 0.305 266 V C 1.941 178.044 176.094 0.015 0.000 1.078 266 V CA -0.431 61.867 62.300 -0.004 0.000 1.083 266 V CB 0.587 32.411 31.823 0.002 0.000 1.039 266 V HN 0.560 nan 8.190 nan 0.000 0.481 267 R N 1.144 121.628 120.500 -0.027 0.000 2.066 267 R HA 0.030 4.370 4.340 -0.000 0.000 0.232 267 R C -0.036 176.439 176.300 0.292 0.000 1.131 267 R CA 1.192 57.302 56.100 0.016 0.000 0.955 267 R CB 0.112 30.271 30.300 -0.235 0.000 0.851 267 R HN 0.750 nan 8.270 nan 0.000 0.432 268 W N 0.217 121.503 121.300 -0.024 0.000 2.706 268 W HA 0.499 5.159 4.660 -0.000 0.000 0.346 268 W C -0.734 175.767 176.519 -0.030 0.000 1.071 268 W CA -0.859 56.470 57.345 -0.027 0.000 1.206 268 W CB 0.648 30.080 29.460 -0.045 0.000 1.413 268 W HN -0.072 nan 8.180 nan 0.000 0.542 269 L N 1.497 122.836 121.223 0.194 0.000 2.354 269 L HA 0.997 5.337 4.340 -0.000 0.000 0.269 269 L C 0.439 177.340 176.870 0.051 0.000 1.005 269 L CA -0.751 54.144 54.840 0.092 0.000 0.819 269 L CB 2.055 44.147 42.059 0.056 0.000 1.311 269 L HN 0.545 nan 8.230 nan 0.000 0.423 270 G N 1.271 110.092 108.800 0.035 0.000 2.576 270 G HA2 0.613 4.573 3.960 -0.000 0.000 0.290 270 G HA3 0.613 4.573 3.960 -0.000 0.000 0.290 270 G C -3.232 171.676 174.900 0.013 0.000 1.442 270 G CA -0.790 44.320 45.100 0.017 0.000 0.792 270 G HN 0.267 nan 8.290 nan 0.000 0.491 271 P HA 0.286 nan 4.420 nan 0.000 0.274 271 P C -0.336 176.966 177.300 0.004 0.000 1.237 271 P CA -0.459 62.648 63.100 0.011 0.000 0.793 271 P CB 0.859 32.570 31.700 0.018 0.000 0.977 272 K N 1.583 121.979 120.400 -0.006 0.000 2.237 272 K HA 0.471 4.791 4.320 -0.000 0.000 0.270 272 K C -0.134 176.456 176.600 -0.015 0.000 1.015 272 K CA -0.559 55.709 56.287 -0.033 0.000 0.949 272 K CB 0.409 32.888 32.500 -0.035 0.000 0.976 272 K HN 0.536 nan 8.250 nan 0.000 0.472 273 A N 2.249 125.045 122.820 -0.040 0.000 2.466 273 A HA 0.216 4.536 4.320 -0.000 0.000 0.238 273 A C 0.034 177.645 177.584 0.045 0.000 1.074 273 A CA 0.267 52.322 52.037 0.029 0.000 0.774 273 A CB 0.024 19.065 19.000 0.068 0.000 1.015 273 A HN 0.868 nan 8.150 nan 0.000 0.498 274 T N -1.277 113.326 114.554 0.082 0.000 2.865 274 T HA 0.493 4.843 4.350 -0.000 0.000 0.294 274 T C -0.497 174.289 174.700 0.144 0.000 1.119 274 T CA -0.536 61.626 62.100 0.103 0.000 1.007 274 T CB 0.697 69.618 68.868 0.089 0.000 1.225 274 T HN 0.652 nan 8.240 nan 0.000 0.515 275 Y N 1.858 122.175 120.300 0.029 0.000 2.650 275 Y HA 0.118 4.668 4.550 -0.000 0.000 0.331 275 Y C 1.248 177.191 175.900 0.071 0.000 1.165 275 Y CA 0.847 58.943 58.100 -0.005 0.000 1.473 275 Y CB -0.656 37.740 38.460 -0.107 0.000 1.224 275 Y HN 0.990 nan 8.280 nan 0.000 0.533 276 H N 2.310 121.098 119.070 -0.471 0.000 2.820 276 H HA -0.230 4.326 4.556 -0.000 0.000 0.295 276 H C 1.490 176.741 175.328 -0.129 0.000 1.187 276 H CA -0.081 55.749 56.048 -0.364 0.000 1.144 276 H CB -1.095 28.382 29.762 -0.475 0.000 1.354 276 H HN 1.024 nan 8.280 nan 0.000 0.395 277 G N 1.403 110.238 108.800 0.059 0.000 2.442 277 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 277 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 277 G C 1.639 176.563 174.900 0.041 0.000 1.141 277 G CA 0.976 46.112 45.100 0.060 0.000 0.763 277 G HN 0.693 nan 8.290 nan 0.000 0.554 278 N N 0.735 119.452 118.700 0.027 0.000 2.453 278 N HA -0.011 4.729 4.740 -0.000 0.000 0.183 278 N C 1.894 177.396 175.510 -0.012 0.000 1.041 278 N CA 0.874 53.931 53.050 0.012 0.000 0.900 278 N CB -0.147 38.344 38.487 0.006 0.000 0.961 278 N HN 0.463 nan 8.380 nan 0.000 0.443 279 I N 0.278 120.830 120.570 -0.030 0.000 3.039 279 I HA -0.011 4.159 4.170 -0.000 0.000 0.270 279 I C 0.768 176.879 176.117 -0.009 0.000 1.150 279 I CA 0.510 61.781 61.300 -0.049 0.000 1.448 279 I CB 0.070 37.990 38.000 -0.133 0.000 1.197 279 I HN -0.147 nan 8.210 nan 0.000 0.450 280 D N 1.136 121.549 120.400 0.020 0.000 2.350 280 D HA 0.114 4.754 4.640 -0.000 0.000 0.213 280 D C 0.298 176.619 176.300 0.035 0.000 1.031 280 D CA 0.622 54.645 54.000 0.039 0.000 0.861 280 D CB 0.336 41.178 40.800 0.070 0.000 0.926 280 D HN 0.265 nan 8.370 nan 0.000 0.520 281 K N 0.467 120.886 120.400 0.032 0.000 2.395 281 K HA 0.500 4.820 4.320 -0.000 0.000 0.247 281 K C -2.667 173.948 176.600 0.025 0.000 0.973 281 K CA -1.843 54.462 56.287 0.031 0.000 0.828 281 K CB 2.032 34.554 32.500 0.038 0.000 1.272 281 K HN -0.241 nan 8.250 nan 0.000 0.439 282 P HA 0.032 nan 4.420 nan 0.000 0.270 282 P C -1.039 176.277 177.300 0.027 0.000 1.223 282 P CA -0.348 62.764 63.100 0.020 0.000 0.785 282 P CB 0.475 32.185 31.700 0.017 0.000 0.923 283 A N 1.679 124.515 122.820 0.026 0.000 2.462 283 A HA 0.328 4.648 4.320 -0.000 0.000 0.243 283 A C -0.031 177.580 177.584 0.045 0.000 1.076 283 A CA -0.132 51.928 52.037 0.039 0.000 0.773 283 A CB -0.173 18.846 19.000 0.033 0.000 1.010 283 A HN 0.365 nan 8.150 nan 0.000 0.493 284 V N 1.740 121.694 119.914 0.067 0.000 2.612 284 V HA 0.520 4.640 4.120 -0.000 0.000 0.301 284 V C 0.399 176.557 176.094 0.107 0.000 1.046 284 V CA -0.302 62.039 62.300 0.068 0.000 0.946 284 V CB 1.838 33.697 31.823 0.060 0.000 1.003 284 V HN 0.919 nan 8.190 nan 0.000 0.459 285 T N 2.682 117.278 114.554 0.069 0.000 2.815 285 T HA 0.284 4.634 4.350 -0.000 0.000 0.289 285 T C -0.142 174.564 174.700 0.010 0.000 1.000 285 T CA -0.299 61.851 62.100 0.084 0.000 0.958 285 T CB 0.697 69.573 68.868 0.013 0.000 0.944 285 T HN 0.775 nan 8.240 nan 0.000 0.442 286 c N 3.761 122.350 118.600 -0.019 0.000 2.665 286 c HA 0.451 5.021 4.570 -0.000 0.000 0.416 286 c C 1.483 175.397 174.090 -0.293 0.000 1.305 286 c CA -0.581 55.624 56.329 -0.207 0.000 1.903 286 c CB -0.816 41.437 42.510 -0.428 0.000 2.704 286 c HN 0.955 nan 8.230 nan 0.000 0.629 287 T N 1.211 115.637 114.554 -0.214 0.000 2.829 287 T HA 0.574 4.924 4.350 -0.000 0.000 0.280 287 T C -2.657 171.954 174.700 -0.149 0.000 0.999 287 T CA -1.678 60.315 62.100 -0.178 0.000 0.983 287 T CB 1.681 70.503 68.868 -0.078 0.000 0.968 287 T HN 0.549 nan 8.240 nan 0.000 0.446 288 P HA 0.105 nan 4.420 nan 0.000 0.268 288 P C -0.523 176.814 177.300 0.062 0.000 1.205 288 P CA -0.376 62.735 63.100 0.018 0.000 0.771 288 P CB 0.437 32.150 31.700 0.022 0.000 0.858 289 N N 3.806 122.578 118.700 0.121 0.000 2.405 289 N HA 0.097 4.837 4.740 -0.000 0.000 0.260 289 N C -1.658 173.886 175.510 0.056 0.000 1.152 289 N CA -2.201 50.898 53.050 0.081 0.000 0.948 289 N CB 0.071 38.613 38.487 0.092 0.000 1.111 289 N HN 0.153 nan 8.380 nan 0.000 0.485 290 P HA -0.094 nan 4.420 nan 0.000 0.221 290 P C 0.590 177.905 177.300 0.025 0.000 1.145 290 P CA 1.074 64.189 63.100 0.026 0.000 0.795 290 P CB 0.427 32.137 31.700 0.018 0.000 0.775 291 Q N -1.115 118.702 119.800 0.028 0.000 2.424 291 Q HA 0.018 4.358 4.340 -0.000 0.000 0.204 291 Q C 2.121 178.136 176.000 0.024 0.000 0.933 291 Q CA 0.360 56.178 55.803 0.024 0.000 0.929 291 Q CB -0.669 28.083 28.738 0.024 0.000 1.037 291 Q HN 0.146 nan 8.270 nan 0.000 0.511 292 R N 0.996 121.515 120.500 0.032 0.000 2.140 292 R HA -0.253 4.087 4.340 -0.000 0.000 0.250 292 R C 0.346 176.652 176.300 0.010 0.000 1.150 292 R CA 1.636 57.752 56.100 0.026 0.000 0.966 292 R CB -0.230 30.097 30.300 0.045 0.000 0.869 292 R HN 0.361 nan 8.270 nan 0.000 0.445 293 N N -0.355 118.352 118.700 0.012 0.000 6.681 293 N HA -0.255 4.485 4.740 -0.000 0.000 0.407 293 N C -0.444 175.062 175.510 -0.007 0.000 0.934 293 N CA 1.541 54.593 53.050 0.003 0.000 1.206 293 N CB -1.317 37.171 38.487 0.002 0.000 0.835 293 N HN 0.440 nan 8.380 nan 0.000 0.310 294 D N -1.816 118.576 120.400 -0.013 0.000 2.430 294 D HA 0.211 4.851 4.640 -0.000 0.000 0.289 294 D C 0.727 177.008 176.300 -0.032 0.000 1.215 294 D CA 0.913 54.899 54.000 -0.023 0.000 0.838 294 D CB -0.045 40.748 40.800 -0.012 0.000 1.290 294 D HN 0.421 nan 8.370 nan 0.000 0.521 295 S N -0.410 115.276 115.700 -0.024 0.000 2.557 295 S HA 0.304 4.774 4.470 -0.000 0.000 0.223 295 S C 0.193 174.773 174.600 -0.033 0.000 0.969 295 S CA -0.344 57.845 58.200 -0.019 0.000 0.927 295 S CB 0.487 63.688 63.200 0.003 0.000 0.806 295 S HN -0.015 nan 8.310 nan 0.000 0.489 296 V N 3.431 123.307 119.914 -0.063 0.000 2.378 296 V HA 0.459 4.579 4.120 -0.000 0.000 0.288 296 V C -2.627 173.340 176.094 -0.212 0.000 1.016 296 V CA -2.117 60.115 62.300 -0.113 0.000 0.840 296 V CB 1.255 33.047 31.823 -0.050 0.000 0.994 296 V HN 0.166 nan 8.190 nan 0.000 0.431 297 P HA 0.143 nan 4.420 nan 0.000 0.265 297 P C 0.245 177.370 177.300 -0.291 0.000 1.193 297 P CA 0.190 63.043 63.100 -0.411 0.000 0.765 297 P CB 0.301 31.564 31.700 -0.727 0.000 0.823 298 T N 0.331 114.766 114.554 -0.197 0.000 2.849 298 T HA 0.137 4.487 4.350 -0.000 0.000 0.284 298 T C 1.092 175.702 174.700 -0.150 0.000 1.004 298 T CA -0.706 61.307 62.100 -0.145 0.000 1.021 298 T CB 0.422 69.226 68.868 -0.107 0.000 1.013 298 T HN 0.140 nan 8.240 nan 0.000 0.527 299 L N 1.691 122.839 121.223 -0.125 0.000 2.043 299 L HA 0.024 4.364 4.340 -0.000 0.000 0.212 299 L C 2.747 179.548 176.870 -0.115 0.000 1.075 299 L CA 2.447 57.218 54.840 -0.115 0.000 0.752 299 L CB -1.545 40.448 42.059 -0.110 0.000 0.891 299 L HN 0.945 nan 8.230 nan 0.000 0.432 300 A N -1.283 121.470 122.820 -0.111 0.000 1.908 300 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 300 A C 2.176 179.699 177.584 -0.101 0.000 1.181 300 A CA 1.917 53.894 52.037 -0.100 0.000 0.627 300 A CB -0.531 18.418 19.000 -0.086 0.000 0.818 300 A HN 0.681 nan 8.150 nan 0.000 0.445 301 Q N -1.011 118.721 119.800 -0.113 0.000 2.083 301 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 301 Q C 2.234 178.155 176.000 -0.133 0.000 0.969 301 Q CA 1.498 57.230 55.803 -0.120 0.000 0.838 301 Q CB -0.269 28.387 28.738 -0.136 0.000 0.900 301 Q HN 0.696 nan 8.270 nan 0.000 0.436 302 M N -0.029 119.480 119.600 -0.152 0.000 2.159 302 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 302 M C 2.124 178.358 176.300 -0.111 0.000 1.063 302 M CA 1.290 56.513 55.300 -0.130 0.000 1.110 302 M CB -0.414 32.117 32.600 -0.116 0.000 1.374 302 M HN 0.193 nan 8.290 nan 0.000 0.411 303 T N 0.093 114.577 114.554 -0.116 0.000 2.674 303 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 303 T C 1.563 176.172 174.700 -0.152 0.000 1.039 303 T CA 1.459 63.483 62.100 -0.127 0.000 1.150 303 T CB -0.387 68.413 68.868 -0.114 0.000 0.864 303 T HN 0.387 nan 8.240 nan 0.000 0.427 304 D N 0.519 120.842 120.400 -0.129 0.000 2.123 304 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 304 D C 2.239 178.453 176.300 -0.143 0.000 0.992 304 D CA 1.183 55.108 54.000 -0.125 0.000 0.833 304 D CB -0.033 40.715 40.800 -0.087 0.000 0.954 304 D HN 0.146 nan 8.370 nan 0.000 0.455 305 K N 0.782 121.106 120.400 -0.127 0.000 2.103 305 K HA 0.014 4.334 4.320 -0.000 0.000 0.204 305 K C 1.793 178.300 176.600 -0.156 0.000 1.052 305 K CA 1.268 57.485 56.287 -0.116 0.000 0.945 305 K CB -0.467 31.983 32.500 -0.084 0.000 0.722 305 K HN 0.031 nan 8.250 nan 0.000 0.443 306 A N 0.657 123.369 122.820 -0.180 0.000 1.933 306 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 306 A C 2.191 179.533 177.584 -0.403 0.000 1.175 306 A CA 1.562 53.456 52.037 -0.238 0.000 0.628 306 A CB -0.612 18.261 19.000 -0.211 0.000 0.814 306 A HN 0.333 nan 8.150 nan 0.000 0.444 307 I N -0.698 119.609 120.570 -0.438 0.000 2.315 307 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 307 I C 2.561 178.386 176.117 -0.488 0.000 1.117 307 I CA 1.659 62.567 61.300 -0.654 0.000 1.404 307 I CB -0.341 37.264 38.000 -0.658 0.000 1.071 307 I HN 0.559 nan 8.210 nan 0.000 0.419 308 E N 1.586 121.616 120.200 -0.284 0.000 2.051 308 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 308 E C 2.352 178.861 176.600 -0.151 0.000 0.991 308 E CA 1.302 57.607 56.400 -0.158 0.000 0.799 308 E CB -0.017 29.623 29.700 -0.100 0.000 0.748 308 E HN 0.452 nan 8.360 nan 0.000 0.449 309 L N 0.475 121.593 121.223 -0.176 0.000 2.156 309 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 309 L C 2.467 179.232 176.870 -0.175 0.000 1.095 309 L CA 0.575 55.331 54.840 -0.140 0.000 0.770 309 L CB -0.194 41.794 42.059 -0.118 0.000 0.914 309 L HN 0.225 nan 8.230 nan 0.000 0.439 310 L N -0.782 120.237 121.223 -0.339 0.000 2.209 310 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 310 L C 2.669 179.397 176.870 -0.236 0.000 1.094 310 L CA 0.850 55.444 54.840 -0.412 0.000 0.790 310 L CB -0.429 41.079 42.059 -0.918 0.000 0.932 310 L HN 0.292 nan 8.230 nan 0.000 0.447 311 S N -0.469 115.097 115.700 -0.224 0.000 2.547 311 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 311 S C 1.678 176.377 174.600 0.165 0.000 0.980 311 S CA 0.643 58.946 58.200 0.172 0.000 0.941 311 S CB -0.308 63.024 63.200 0.220 0.000 0.763 311 S HN 0.405 nan 8.310 nan 0.000 0.532 312 K N 1.104 121.546 120.400 0.071 0.000 2.365 312 K HA 0.102 4.422 4.320 -0.000 0.000 0.197 312 K C 0.402 177.051 176.600 0.082 0.000 1.042 312 K CA 0.266 56.593 56.287 0.068 0.000 0.987 312 K CB -0.236 32.281 32.500 0.028 0.000 0.779 312 K HN 0.369 nan 8.250 nan 0.000 0.484 313 N N 1.931 120.694 118.700 0.106 0.000 2.406 313 N HA -0.066 4.674 4.740 -0.000 0.000 0.265 313 N C 0.561 176.146 175.510 0.125 0.000 1.203 313 N CA 0.101 53.216 53.050 0.109 0.000 0.945 313 N CB 0.923 39.488 38.487 0.131 0.000 1.165 313 N HN -0.061 nan 8.380 nan 0.000 0.485 314 E N 2.832 123.086 120.200 0.089 0.000 2.267 314 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 314 E C 1.073 177.717 176.600 0.073 0.000 0.998 314 E CA 1.271 57.719 56.400 0.079 0.000 0.830 314 E CB 0.155 29.888 29.700 0.056 0.000 0.751 314 E HN 0.437 nan 8.360 nan 0.000 0.491 315 K N -0.635 119.810 120.400 0.075 0.000 2.103 315 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 315 K C 0.879 177.518 176.600 0.066 0.000 1.052 315 K CA 1.118 57.442 56.287 0.062 0.000 0.945 315 K CB -0.065 32.471 32.500 0.060 0.000 0.722 315 K HN 0.249 nan 8.250 nan 0.000 0.443 316 G N 0.000 108.864 108.800 0.107 0.000 2.343 316 G HA2 0.128 4.088 3.960 -0.000 0.000 0.465 316 G HA3 0.128 4.088 3.960 -0.000 0.000 0.465 316 G C -1.332 173.683 174.900 0.192 0.000 1.282 316 G CA -0.494 44.659 45.100 0.089 0.000 0.996 316 G HN 0.149 nan 8.290 nan 0.000 0.521 317 F N -1.916 118.091 119.950 0.094 0.000 2.686 317 F HA 0.874 5.401 4.527 -0.000 0.000 0.311 317 F C -1.402 174.482 175.800 0.141 0.000 1.128 317 F CA -2.277 55.782 58.000 0.099 0.000 0.946 317 F CB 1.628 40.656 39.000 0.047 0.000 1.336 317 F HN 0.912 nan 8.300 nan 0.000 0.457 318 F N 3.891 124.040 119.950 0.332 0.000 2.493 318 F HA 0.803 5.330 4.527 -0.000 0.000 0.329 318 F C -2.095 173.892 175.800 0.311 0.000 1.126 318 F CA -1.174 56.956 58.000 0.218 0.000 0.937 318 F CB 1.695 40.763 39.000 0.113 0.000 1.146 318 F HN 0.727 nan 8.300 nan 0.000 0.442 319 L N 6.155 127.014 121.223 -0.606 0.000 2.409 319 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 319 L C -1.484 174.969 176.870 -0.694 0.000 0.980 319 L CA -0.293 54.264 54.840 -0.473 0.000 0.826 319 L CB 1.996 44.006 42.059 -0.082 0.000 1.268 319 L HN 0.771 nan 8.230 nan 0.000 0.407 320 Q N 3.829 123.352 119.800 -0.461 0.000 2.322 320 Q HA 0.731 5.071 4.340 -0.000 0.000 0.265 320 Q C -1.946 173.998 176.000 -0.094 0.000 0.985 320 Q CA -0.721 54.952 55.803 -0.217 0.000 0.849 320 Q CB 1.966 30.743 28.738 0.065 0.000 1.274 320 Q HN 0.622 nan 8.270 nan 0.000 0.449 321 V N 4.156 124.014 119.914 -0.093 0.000 2.444 321 V HA 0.370 4.490 4.120 -0.000 0.000 0.294 321 V C -0.698 175.361 176.094 -0.059 0.000 1.022 321 V CA -0.662 61.595 62.300 -0.072 0.000 0.850 321 V CB 1.598 33.363 31.823 -0.097 0.000 0.992 321 V HN 0.824 nan 8.190 nan 0.000 0.426 322 E N 3.467 123.651 120.200 -0.026 0.000 2.176 322 E HA 0.571 4.921 4.350 -0.000 0.000 0.267 322 E C 0.091 176.669 176.600 -0.038 0.000 0.893 322 E CA -0.660 55.728 56.400 -0.019 0.000 0.761 322 E CB 1.871 31.597 29.700 0.044 0.000 1.133 322 E HN 0.809 nan 8.360 nan 0.000 0.409 323 G N 3.273 112.032 108.800 -0.069 0.000 2.807 323 G HA2 0.365 4.325 3.960 -0.000 0.000 0.316 323 G HA3 0.365 4.325 3.960 -0.000 0.000 0.316 323 G C 0.649 175.517 174.900 -0.053 0.000 0.900 323 G CA 0.226 45.276 45.100 -0.083 0.000 1.499 323 G HN 0.597 nan 8.290 nan 0.000 0.484 324 A N 2.018 124.828 122.820 -0.017 0.000 1.930 324 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 324 A C 2.385 179.986 177.584 0.028 0.000 1.175 324 A CA 1.668 53.718 52.037 0.022 0.000 0.627 324 A CB -0.048 18.981 19.000 0.047 0.000 0.815 324 A HN 0.483 nan 8.150 nan 0.000 0.443 325 S N -0.320 115.380 115.700 0.001 0.000 2.603 325 S HA 0.152 4.622 4.470 -0.000 0.000 0.220 325 S C 1.434 176.018 174.600 -0.027 0.000 0.967 325 S CA 0.096 58.298 58.200 0.004 0.000 0.920 325 S CB -0.462 62.735 63.200 -0.006 0.000 0.773 325 S HN 0.527 nan 8.310 nan 0.000 0.529 326 I N 1.605 122.142 120.570 -0.056 0.000 2.142 326 I HA -0.205 3.965 4.170 -0.000 0.000 0.240 326 I C 2.582 178.641 176.117 -0.097 0.000 1.078 326 I CA 1.420 62.666 61.300 -0.090 0.000 1.343 326 I CB -0.328 37.606 38.000 -0.110 0.000 1.046 326 I HN 0.358 nan 8.210 nan 0.000 0.405 327 D N 1.528 121.903 120.400 -0.043 0.000 2.092 327 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 327 D C 2.035 178.379 176.300 0.074 0.000 0.994 327 D CA 1.567 55.568 54.000 0.002 0.000 0.828 327 D CB 0.086 41.019 40.800 0.222 0.000 0.963 327 D HN 0.314 nan 8.370 nan 0.000 0.450 328 K N -0.256 120.247 120.400 0.172 0.000 2.063 328 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 328 K C 2.348 179.021 176.600 0.121 0.000 1.048 328 K CA 0.929 57.349 56.287 0.222 0.000 0.928 328 K CB -0.023 32.562 32.500 0.142 0.000 0.713 328 K HN 0.201 nan 8.250 nan 0.000 0.442 329 Q N 0.655 120.466 119.800 0.020 0.000 2.311 329 Q HA -0.104 4.236 4.340 -0.000 0.000 0.203 329 Q C 1.554 177.511 176.000 -0.071 0.000 0.954 329 Q CA 0.970 56.762 55.803 -0.019 0.000 0.885 329 Q CB -0.022 28.699 28.738 -0.029 0.000 0.963 329 Q HN 0.324 nan 8.270 nan 0.000 0.471 330 D N -0.133 120.173 120.400 -0.158 0.000 2.149 330 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 330 D C 1.618 177.821 176.300 -0.162 0.000 0.972 330 D CA 0.776 54.623 54.000 -0.255 0.000 0.835 330 D CB 0.272 40.555 40.800 -0.860 0.000 0.966 330 D HN 0.291 nan 8.370 nan 0.000 0.476 331 H N -0.015 119.050 119.070 -0.007 0.000 2.389 331 H HA 0.037 4.593 4.556 -0.000 0.000 0.299 331 H C 1.618 176.958 175.328 0.021 0.000 1.081 331 H CA 1.295 57.445 56.048 0.170 0.000 1.345 331 H CB -0.001 29.878 29.762 0.194 0.000 1.393 331 H HN 0.122 nan 8.280 nan 0.000 0.520 332 A N 0.357 123.220 122.820 0.072 0.000 2.238 332 A HA 0.379 4.699 4.320 -0.000 0.000 0.208 332 A C 1.497 178.970 177.584 -0.186 0.000 1.177 332 A CA 0.771 52.791 52.037 -0.028 0.000 0.804 332 A CB -0.356 18.636 19.000 -0.012 0.000 0.823 332 A HN 0.420 nan 8.150 nan 0.000 0.482 333 A N -0.173 122.403 122.820 -0.407 0.000 2.791 333 A HA -0.186 4.134 4.320 -0.000 0.000 0.292 333 A C 0.220 177.426 177.584 -0.630 0.000 1.487 333 A CA 0.901 52.322 52.037 -1.026 0.000 0.760 333 A CB -2.344 16.227 19.000 -0.716 0.000 1.031 333 A HN 0.597 nan 8.150 nan 0.000 0.503 334 N N -0.522 117.980 118.700 -0.330 0.000 2.706 334 N HA 0.406 5.146 4.740 -0.000 0.000 0.240 334 N C -1.815 173.686 175.510 -0.015 0.000 1.039 334 N CA -1.770 51.208 53.050 -0.121 0.000 0.888 334 N CB 1.201 39.649 38.487 -0.064 0.000 1.128 334 N HN 0.060 nan 8.380 nan 0.000 0.512 335 P HA -0.106 nan 4.420 nan 0.000 0.215 335 P C 1.281 178.599 177.300 0.030 0.000 1.157 335 P CA 1.135 64.303 63.100 0.113 0.000 0.874 335 P CB 0.413 32.194 31.700 0.134 0.000 0.790 336 c N -1.209 117.402 118.600 0.018 0.000 2.429 336 c HA -0.042 4.528 4.570 -0.000 0.000 0.277 336 c C 2.952 177.121 174.090 0.131 0.000 1.262 336 c CA 1.602 57.971 56.329 0.065 0.000 1.733 336 c CB -1.991 40.552 42.510 0.056 0.000 2.010 336 c HN 0.314 nan 8.230 nan 0.000 0.483 337 G N -0.848 107.991 108.800 0.066 0.000 2.421 337 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 337 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 337 G C 1.571 176.450 174.900 -0.036 0.000 1.171 337 G CA 0.912 46.029 45.100 0.030 0.000 0.775 337 G HN 0.667 nan 8.290 nan 0.000 0.543 338 Q N -0.095 119.688 119.800 -0.028 0.000 2.050 338 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 338 Q C 2.602 178.545 176.000 -0.095 0.000 0.980 338 Q CA 1.300 57.072 55.803 -0.053 0.000 0.840 338 Q CB -0.218 28.520 28.738 0.000 0.000 0.898 338 Q HN 0.553 nan 8.270 nan 0.000 0.424 339 I N 0.229 120.754 120.570 -0.075 0.000 2.226 339 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 339 I C 2.368 178.262 176.117 -0.372 0.000 1.100 339 I CA 1.050 62.282 61.300 -0.113 0.000 1.374 339 I CB -0.634 37.347 38.000 -0.032 0.000 1.057 339 I HN 0.368 nan 8.210 nan 0.000 0.413 340 G N 0.435 108.912 108.800 -0.539 0.000 2.422 340 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 340 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 340 G C 1.505 175.982 174.900 -0.705 0.000 1.146 340 G CA 0.509 44.888 45.100 -1.202 0.000 0.769 340 G HN 0.278 nan 8.290 nan 0.000 0.547 341 E N 0.374 120.340 120.200 -0.390 0.000 2.274 341 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 341 E C 2.595 179.029 176.600 -0.276 0.000 0.996 341 E CA 0.835 57.069 56.400 -0.277 0.000 0.840 341 E CB -0.385 29.211 29.700 -0.173 0.000 0.772 341 E HN 0.353 nan 8.360 nan 0.000 0.491 342 T N 0.473 114.851 114.554 -0.294 0.000 2.937 342 T HA -0.016 4.334 4.350 -0.000 0.000 0.260 342 T C 2.105 176.566 174.700 -0.398 0.000 1.051 342 T CA 0.537 62.453 62.100 -0.305 0.000 1.141 342 T CB 0.013 68.743 68.868 -0.230 0.000 0.879 342 T HN -0.034 nan 8.240 nan 0.000 0.459 343 V N 2.052 121.744 119.914 -0.371 0.000 2.427 343 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 343 V C 2.422 178.343 176.094 -0.289 0.000 1.051 343 V CA 1.835 63.957 62.300 -0.297 0.000 1.048 343 V CB -0.521 31.094 31.823 -0.347 0.000 0.666 343 V HN 0.454 nan 8.190 nan 0.000 0.456 344 D N -0.023 120.185 120.400 -0.320 0.000 2.097 344 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 344 D C 1.978 178.148 176.300 -0.217 0.000 0.989 344 D CA 1.392 55.247 54.000 -0.242 0.000 0.827 344 D CB -0.182 40.477 40.800 -0.236 0.000 0.966 344 D HN 0.278 nan 8.370 nan 0.000 0.456 345 L N 0.719 121.794 121.223 -0.246 0.000 2.042 345 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 345 L C 1.768 178.484 176.870 -0.257 0.000 1.076 345 L CA 2.226 56.925 54.840 -0.234 0.000 0.749 345 L CB -0.990 40.920 42.059 -0.249 0.000 0.893 345 L HN 0.078 nan 8.230 nan 0.000 0.432 346 D N -0.953 119.241 120.400 -0.344 0.000 2.182 346 D HA -0.237 4.403 4.640 -0.000 0.000 0.201 346 D C 1.894 178.074 176.300 -0.201 0.000 0.986 346 D CA 1.600 55.389 54.000 -0.351 0.000 0.847 346 D CB 0.008 40.499 40.800 -0.516 0.000 0.942 346 D HN 0.600 nan 8.370 nan 0.000 0.467 347 E N 0.022 120.126 120.200 -0.159 0.000 2.072 347 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 347 E C 2.264 178.802 176.600 -0.103 0.000 0.985 347 E CA 0.896 57.234 56.400 -0.104 0.000 0.801 347 E CB -0.219 29.428 29.700 -0.088 0.000 0.750 347 E HN 0.391 nan 8.360 nan 0.000 0.452 348 A N 1.301 124.048 122.820 -0.122 0.000 1.933 348 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 348 A C 2.526 180.048 177.584 -0.103 0.000 1.175 348 A CA 1.114 53.085 52.037 -0.110 0.000 0.628 348 A CB -0.638 18.290 19.000 -0.121 0.000 0.814 348 A HN 0.109 nan 8.150 nan 0.000 0.444 349 V N -0.068 119.771 119.914 -0.126 0.000 2.427 349 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 349 V C 2.608 178.647 176.094 -0.090 0.000 1.051 349 V CA 2.177 64.407 62.300 -0.117 0.000 1.048 349 V CB -0.888 30.840 31.823 -0.157 0.000 0.666 349 V HN 0.639 nan 8.190 nan 0.000 0.456 350 Q N -0.577 119.169 119.800 -0.091 0.000 2.084 350 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 350 Q C 2.575 178.554 176.000 -0.036 0.000 0.978 350 Q CA 1.239 57.003 55.803 -0.066 0.000 0.844 350 Q CB -0.206 28.499 28.738 -0.055 0.000 0.898 350 Q HN 0.482 nan 8.270 nan 0.000 0.426 351 R N 0.406 120.886 120.500 -0.033 0.000 2.073 351 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 351 R C 2.185 178.506 176.300 0.035 0.000 1.134 351 R CA 1.366 57.462 56.100 -0.006 0.000 0.952 351 R CB -1.076 29.204 30.300 -0.034 0.000 0.850 351 R HN 0.282 nan 8.270 nan 0.000 0.433 352 A N 1.391 124.218 122.820 0.011 0.000 1.883 352 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 352 A C 2.443 180.099 177.584 0.119 0.000 1.186 352 A CA 1.360 53.435 52.037 0.065 0.000 0.624 352 A CB -0.698 18.310 19.000 0.013 0.000 0.822 352 A HN 0.212 nan 8.150 nan 0.000 0.444 353 L N -1.063 120.172 121.223 0.020 0.000 2.093 353 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 353 L C 2.594 179.439 176.870 -0.042 0.000 1.085 353 L CA 1.522 56.328 54.840 -0.058 0.000 0.755 353 L CB -0.574 41.389 42.059 -0.160 0.000 0.904 353 L HN 0.481 nan 8.230 nan 0.000 0.435 354 E N -0.196 120.010 120.200 0.010 0.000 2.051 354 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 354 E C 1.974 178.622 176.600 0.080 0.000 0.991 354 E CA 1.623 58.038 56.400 0.025 0.000 0.799 354 E CB -0.183 29.540 29.700 0.039 0.000 0.748 354 E HN 0.390 nan 8.360 nan 0.000 0.449 355 F N 1.260 121.214 119.950 0.007 0.000 2.102 355 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 355 F C 2.148 177.987 175.800 0.065 0.000 1.105 355 F CA 1.506 59.531 58.000 0.041 0.000 1.239 355 F CB -0.325 38.712 39.000 0.062 0.000 0.991 355 F HN -0.030 nan 8.300 nan 0.000 0.474 356 A N 0.460 123.359 122.820 0.131 0.000 1.940 356 A HA -0.257 4.062 4.320 -0.000 0.000 0.219 356 A C 2.338 179.963 177.584 0.070 0.000 1.176 356 A CA 1.917 54.002 52.037 0.080 0.000 0.631 356 A CB -0.926 18.251 19.000 0.294 0.000 0.814 356 A HN 0.520 nan 8.150 nan 0.000 0.446 357 K N 0.419 120.842 120.400 0.037 0.000 2.148 357 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 357 K C 1.998 178.591 176.600 -0.012 0.000 1.050 357 K CA 1.695 58.017 56.287 0.058 0.000 0.942 357 K CB -0.135 32.339 32.500 -0.043 0.000 0.724 357 K HN 0.693 nan 8.250 nan 0.000 0.446 358 K N -0.474 119.866 120.400 -0.100 0.000 2.166 358 K HA -0.026 4.294 4.320 -0.000 0.000 0.201 358 K C 1.913 178.400 176.600 -0.187 0.000 1.052 358 K CA 0.562 56.778 56.287 -0.119 0.000 0.969 358 K CB -0.053 32.383 32.500 -0.107 0.000 0.761 358 K HN -0.056 nan 8.250 nan 0.000 0.459 359 E N 1.253 121.236 120.200 -0.362 0.000 2.106 359 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 359 E C 1.288 177.775 176.600 -0.189 0.000 0.984 359 E CA 1.566 57.737 56.400 -0.382 0.000 0.806 359 E CB -0.204 29.041 29.700 -0.758 0.000 0.750 359 E HN 0.601 nan 8.360 nan 0.000 0.458 360 G N 0.916 109.636 108.800 -0.133 0.000 2.212 360 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.266 360 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.266 360 G C 0.565 175.413 174.900 -0.086 0.000 0.978 360 G CA 0.618 45.672 45.100 -0.076 0.000 0.632 360 G HN 0.347 nan 8.290 nan 0.000 0.537 361 N N 0.520 119.166 118.700 -0.091 0.000 2.517 361 N HA 0.201 4.941 4.740 -0.000 0.000 0.285 361 N C -0.665 174.804 175.510 -0.069 0.000 1.528 361 N CA 0.214 53.218 53.050 -0.075 0.000 0.892 361 N CB 1.192 39.645 38.487 -0.057 0.000 1.356 361 N HN 0.253 nan 8.380 nan 0.000 0.495 362 T N 1.335 115.855 114.554 -0.057 0.000 2.812 362 T HA 0.331 4.681 4.350 -0.000 0.000 0.282 362 T C -0.445 174.255 174.700 -0.001 0.000 0.990 362 T CA -0.459 61.632 62.100 -0.016 0.000 0.960 362 T CB 2.030 70.951 68.868 0.088 0.000 0.948 362 T HN 0.030 nan 8.240 nan 0.000 0.438 363 L N 5.429 126.646 121.223 -0.009 0.000 2.264 363 L HA 0.664 5.004 4.340 -0.000 0.000 0.289 363 L C -0.942 175.953 176.870 0.041 0.000 1.044 363 L CA -0.267 54.575 54.840 0.003 0.000 0.807 363 L CB 0.590 42.654 42.059 0.009 0.000 1.192 363 L HN 0.422 nan 8.230 nan 0.000 0.425 364 V N 6.972 126.941 119.914 0.091 0.000 2.459 364 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 364 V C 0.057 176.174 176.094 0.038 0.000 1.029 364 V CA -0.431 61.918 62.300 0.081 0.000 0.874 364 V CB 1.559 33.467 31.823 0.142 0.000 0.985 364 V HN 0.646 nan 8.190 nan 0.000 0.438 365 I N 4.624 125.181 120.570 -0.021 0.000 2.498 365 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 365 I C -0.952 175.095 176.117 -0.118 0.000 1.032 365 I CA -0.833 60.428 61.300 -0.065 0.000 1.073 365 I CB 2.345 40.297 38.000 -0.079 0.000 1.251 365 I HN 0.272 nan 8.210 nan 0.000 0.426 366 V N 4.888 124.722 119.914 -0.134 0.000 2.444 366 V HA 0.691 4.811 4.120 -0.000 0.000 0.294 366 V C -0.131 175.836 176.094 -0.212 0.000 1.022 366 V CA -0.203 61.996 62.300 -0.169 0.000 0.850 366 V CB 1.713 33.449 31.823 -0.144 0.000 0.992 366 V HN 0.906 nan 8.190 nan 0.000 0.426 367 T N 2.862 117.264 114.554 -0.254 0.000 2.630 367 T HA 0.857 5.207 4.350 -0.000 0.000 0.300 367 T C -1.499 173.055 174.700 -0.244 0.000 1.261 367 T CA 0.378 62.309 62.100 -0.283 0.000 1.060 367 T CB 1.807 70.411 68.868 -0.440 0.000 1.670 367 T HN 1.148 nan 8.240 nan 0.000 0.473 368 A N 0.391 123.101 122.820 -0.185 0.000 2.527 368 A HA 0.667 4.987 4.320 -0.000 0.000 0.293 368 A C 0.262 177.797 177.584 -0.082 0.000 1.117 368 A CA 0.134 52.068 52.037 -0.171 0.000 0.723 368 A CB 1.303 20.197 19.000 -0.177 0.000 1.313 368 A HN 0.860 nan 8.150 nan 0.000 0.411 369 D N -0.394 119.917 120.400 -0.149 0.000 2.234 369 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 369 D C 0.423 176.576 176.300 -0.246 0.000 0.962 369 D CA 1.893 55.926 54.000 0.056 0.000 0.855 369 D CB -0.285 40.676 40.800 0.268 0.000 0.951 369 D HN 0.840 nan 8.370 nan 0.000 0.500 370 H N -3.085 115.773 119.070 -0.354 0.000 2.921 370 H HA 0.666 5.222 4.556 -0.000 0.000 0.287 370 H C -1.240 173.868 175.328 -0.367 0.000 1.434 370 H CA -0.865 54.695 56.048 -0.813 0.000 1.178 370 H CB 0.493 29.912 29.762 -0.572 0.000 1.836 370 H HN 0.062 nan 8.280 nan 0.000 0.495 371 A N 0.256 123.067 122.820 -0.015 0.000 2.249 371 A HA 0.585 4.905 4.320 -0.000 0.000 0.281 371 A C -0.423 177.287 177.584 0.210 0.000 1.127 371 A CA 0.215 52.328 52.037 0.128 0.000 0.833 371 A CB 0.197 19.316 19.000 0.198 0.000 1.140 371 A HN 0.859 nan 8.150 nan 0.000 0.502 372 H N -2.984 116.150 119.070 0.107 0.000 3.220 372 H HA 0.580 5.136 4.556 -0.000 0.000 0.299 372 H C 1.087 176.469 175.328 0.090 0.000 1.604 372 H CA 0.037 56.153 56.048 0.113 0.000 1.260 372 H CB 1.577 31.373 29.762 0.056 0.000 1.846 372 H HN 0.625 nan 8.280 nan 0.000 0.632 373 A N 0.051 123.142 122.820 0.452 0.000 1.874 373 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 373 A C 0.759 178.358 177.584 0.025 0.000 1.189 373 A CA 0.922 53.116 52.037 0.262 0.000 0.615 373 A CB -0.891 18.351 19.000 0.404 0.000 0.830 373 A HN 0.615 nan 8.150 nan 0.000 0.443 374 S N 0.485 116.104 115.700 -0.136 0.000 2.593 374 S HA 0.212 4.682 4.470 -0.000 0.000 0.300 374 S C -0.255 174.186 174.600 -0.266 0.000 1.267 374 S CA 0.002 57.874 58.200 -0.546 0.000 1.065 374 S CB 0.092 63.007 63.200 -0.474 0.000 0.807 374 S HN 0.523 nan 8.310 nan 0.000 0.499 375 Q N 2.030 121.657 119.800 -0.290 0.000 2.397 375 Q HA 0.532 4.872 4.340 -0.000 0.000 0.275 375 Q C -0.915 175.021 176.000 -0.107 0.000 1.090 375 Q CA -0.712 55.013 55.803 -0.130 0.000 0.809 375 Q CB 2.220 30.912 28.738 -0.076 0.000 1.362 375 Q HN 0.756 nan 8.270 nan 0.000 0.431 376 I N 2.704 123.246 120.570 -0.047 0.000 2.304 376 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 376 I C 0.053 176.164 176.117 -0.010 0.000 1.018 376 I CA -0.628 60.661 61.300 -0.018 0.000 1.260 376 I CB 0.775 38.778 38.000 0.005 0.000 1.390 376 I HN 0.326 nan 8.210 nan 0.000 0.475 377 V N 3.155 123.065 119.914 -0.006 0.000 3.158 377 V HA 0.855 4.975 4.120 -0.000 0.000 0.315 377 V C 0.330 176.425 176.094 0.002 0.000 1.148 377 V CA -1.090 61.209 62.300 -0.002 0.000 1.042 377 V CB 1.535 33.356 31.823 -0.003 0.000 1.101 377 V HN 0.709 nan 8.190 nan 0.000 0.448 378 A N 1.100 123.920 122.820 -0.001 0.000 2.483 378 A HA 0.490 4.810 4.320 -0.000 0.000 0.238 378 A C -1.231 176.350 177.584 -0.006 0.000 1.070 378 A CA -0.430 51.605 52.037 -0.003 0.000 0.770 378 A CB -0.530 18.466 19.000 -0.006 0.000 1.008 378 A HN 0.852 nan 8.150 nan 0.000 0.497 379 P HA -0.189 nan 4.420 nan 0.000 0.216 379 P C 0.523 177.810 177.300 -0.021 0.000 1.154 379 P CA 1.857 64.953 63.100 -0.007 0.000 0.865 379 P CB 0.035 31.731 31.700 -0.006 0.000 0.789 380 D N -2.678 117.705 120.400 -0.028 0.000 2.336 380 D HA -0.010 4.630 4.640 -0.000 0.000 0.228 380 D C -0.180 176.082 176.300 -0.064 0.000 1.120 380 D CA 0.090 54.062 54.000 -0.047 0.000 0.839 380 D CB -1.348 39.428 40.800 -0.040 0.000 0.932 380 D HN -0.025 nan 8.370 nan 0.000 0.509 381 T N 1.220 115.744 114.554 -0.051 0.000 2.908 381 T HA 0.034 4.384 4.350 -0.000 0.000 0.301 381 T C 0.339 174.977 174.700 -0.103 0.000 1.019 381 T CA 0.174 62.242 62.100 -0.053 0.000 1.152 381 T CB 0.688 69.542 68.868 -0.024 0.000 0.966 381 T HN 0.052 nan 8.240 nan 0.000 0.540 382 K N 2.690 123.023 120.400 -0.112 0.000 2.478 382 K HA 0.551 4.871 4.320 -0.000 0.000 0.236 382 K C -0.358 176.231 176.600 -0.018 0.000 1.021 382 K CA -0.434 55.732 56.287 -0.201 0.000 1.010 382 K CB 1.373 33.730 32.500 -0.238 0.000 1.331 382 K HN 0.640 nan 8.250 nan 0.000 0.470 383 A N 2.802 125.647 122.820 0.042 0.000 2.294 383 A HA 0.526 4.846 4.320 -0.000 0.000 0.330 383 A C -1.679 176.019 177.584 0.189 0.000 1.133 383 A CA -1.299 50.801 52.037 0.106 0.000 0.836 383 A CB 0.468 19.518 19.000 0.084 0.000 1.190 383 A HN 0.404 nan 8.150 nan 0.000 0.492 384 P HA 0.062 nan 4.420 nan 0.000 0.236 384 P C 0.897 178.362 177.300 0.276 0.000 1.177 384 P CA 1.172 64.438 63.100 0.276 0.000 0.773 384 P CB 0.335 32.141 31.700 0.177 0.000 0.878 385 G N 0.511 109.441 108.800 0.216 0.000 3.022 385 G HA2 0.504 4.464 3.960 -0.000 0.000 0.157 385 G HA3 0.504 4.464 3.960 -0.000 0.000 0.157 385 G C -0.601 174.436 174.900 0.229 0.000 1.468 385 G CA -0.527 44.697 45.100 0.207 0.000 1.058 385 G HN 0.060 nan 8.290 nan 0.000 0.581 386 L N 0.976 122.331 121.223 0.220 0.000 2.307 386 L HA 0.570 4.910 4.340 -0.000 0.000 0.284 386 L C 0.187 177.200 176.870 0.238 0.000 1.023 386 L CA -0.666 54.298 54.840 0.207 0.000 0.810 386 L CB 2.036 44.192 42.059 0.161 0.000 1.231 386 L HN 0.702 nan 8.230 nan 0.000 0.423 387 T N -0.087 114.571 114.554 0.174 0.000 2.838 387 T HA 0.681 5.031 4.350 -0.000 0.000 0.292 387 T C -0.939 173.840 174.700 0.131 0.000 1.113 387 T CA -0.860 61.335 62.100 0.157 0.000 1.008 387 T CB 2.610 71.533 68.868 0.092 0.000 1.259 387 T HN 0.618 nan 8.240 nan 0.000 0.520 388 Q N -0.471 119.401 119.800 0.119 0.000 2.503 388 Q HA 0.570 4.910 4.340 -0.000 0.000 0.268 388 Q C -2.083 173.970 176.000 0.087 0.000 0.982 388 Q CA -0.898 54.965 55.803 0.099 0.000 0.907 388 Q CB 1.940 30.747 28.738 0.115 0.000 1.467 388 Q HN 1.204 nan 8.270 nan 0.000 0.394 389 A N 3.628 126.490 122.820 0.070 0.000 2.301 389 A HA 0.813 5.133 4.320 -0.000 0.000 0.312 389 A C -1.214 176.425 177.584 0.092 0.000 1.182 389 A CA -0.394 51.683 52.037 0.068 0.000 0.826 389 A CB 0.576 19.603 19.000 0.044 0.000 1.134 389 A HN 0.615 nan 8.150 nan 0.000 0.501 390 L N 1.700 122.995 121.223 0.120 0.000 2.381 390 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 390 L C -0.350 176.610 176.870 0.150 0.000 0.997 390 L CA -0.538 54.418 54.840 0.194 0.000 0.818 390 L CB 2.330 44.579 42.059 0.317 0.000 1.310 390 L HN 0.790 nan 8.230 nan 0.000 0.416 391 N N 0.786 119.564 118.700 0.129 0.000 2.437 391 N HA 0.284 5.024 4.740 -0.000 0.000 0.243 391 N C -0.210 175.153 175.510 -0.246 0.000 1.041 391 N CA -0.391 52.645 53.050 -0.023 0.000 0.940 391 N CB 1.077 39.547 38.487 -0.027 0.000 1.133 391 N HN 0.654 nan 8.380 nan 0.000 0.506 392 T N -1.273 113.122 114.554 -0.265 0.000 2.824 392 T HA 0.135 4.485 4.350 -0.000 0.000 0.277 392 T C 1.213 175.692 174.700 -0.369 0.000 0.975 392 T CA -0.591 61.229 62.100 -0.467 0.000 0.966 392 T CB 1.270 70.015 68.868 -0.205 0.000 1.054 392 T HN 0.370 nan 8.240 nan 0.000 0.533 393 K N -0.228 119.969 120.400 -0.339 0.000 2.360 393 K HA -0.123 4.197 4.320 -0.000 0.000 0.201 393 K C 1.057 177.579 176.600 -0.130 0.000 1.046 393 K CA 1.287 57.453 56.287 -0.202 0.000 0.945 393 K CB -0.216 32.201 32.500 -0.138 0.000 0.750 393 K HN 0.545 nan 8.250 nan 0.000 0.464 394 D N -0.319 120.011 120.400 -0.117 0.000 2.347 394 D HA -0.014 4.626 4.640 -0.000 0.000 0.215 394 D C 0.891 177.149 176.300 -0.070 0.000 0.976 394 D CA 1.135 55.089 54.000 -0.077 0.000 0.884 394 D CB 0.372 41.136 40.800 -0.060 0.000 0.915 394 D HN 0.479 nan 8.370 nan 0.000 0.526 395 G N 0.509 109.256 108.800 -0.087 0.000 2.149 395 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.235 395 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.235 395 G C 0.205 175.073 174.900 -0.053 0.000 1.018 395 G CA 0.255 45.314 45.100 -0.069 0.000 0.728 395 G HN 0.642 nan 8.290 nan 0.000 0.508 396 A N -1.255 121.531 122.820 -0.056 0.000 2.479 396 A HA 0.909 5.229 4.320 -0.000 0.000 0.296 396 A C -0.150 177.418 177.584 -0.027 0.000 1.121 396 A CA -0.305 51.711 52.037 -0.035 0.000 0.743 396 A CB 1.974 20.957 19.000 -0.029 0.000 1.323 396 A HN 1.202 nan 8.150 nan 0.000 0.415 397 V N 1.775 121.685 119.914 -0.008 0.000 2.546 397 V HA 0.491 4.611 4.120 -0.000 0.000 0.284 397 V C 0.170 176.279 176.094 0.025 0.000 1.050 397 V CA -0.005 62.302 62.300 0.012 0.000 0.981 397 V CB 1.166 32.996 31.823 0.013 0.000 0.990 397 V HN 0.892 nan 8.190 nan 0.000 0.474 398 M N 5.626 125.258 119.600 0.054 0.000 2.393 398 M HA 0.667 5.147 4.480 -0.000 0.000 0.316 398 M C -1.690 174.652 176.300 0.071 0.000 1.087 398 M CA -0.451 54.887 55.300 0.063 0.000 0.937 398 M CB 1.939 34.594 32.600 0.092 0.000 1.668 398 M HN 0.413 nan 8.290 nan 0.000 0.438 399 V N 5.860 125.803 119.914 0.049 0.000 2.513 399 V HA 0.545 4.665 4.120 -0.000 0.000 0.299 399 V C -0.305 175.812 176.094 0.038 0.000 1.035 399 V CA -0.518 61.810 62.300 0.047 0.000 0.889 399 V CB 1.887 33.726 31.823 0.027 0.000 0.988 399 V HN 0.954 nan 8.190 nan 0.000 0.440 400 M N 3.156 122.786 119.600 0.050 0.000 2.528 400 M HA 0.580 5.060 4.480 -0.000 0.000 0.321 400 M C -0.416 175.883 176.300 -0.002 0.000 1.153 400 M CA -0.244 55.055 55.300 -0.001 0.000 0.951 400 M CB 2.269 34.886 32.600 0.028 0.000 1.705 400 M HN 0.650 nan 8.290 nan 0.000 0.451 401 S N 1.436 117.050 115.700 -0.143 0.000 2.536 401 S HA 0.700 5.170 4.470 -0.000 0.000 0.287 401 S C -1.979 172.460 174.600 -0.267 0.000 1.101 401 S CA -0.510 57.650 58.200 -0.066 0.000 0.950 401 S CB 0.931 64.124 63.200 -0.012 0.000 1.056 401 S HN 0.536 nan 8.310 nan 0.000 0.481 402 Y N 2.040 122.384 120.300 0.073 0.000 2.526 402 Y HA 0.528 5.078 4.550 -0.000 0.000 0.328 402 Y C 0.898 176.851 175.900 0.088 0.000 0.995 402 Y CA -0.767 57.383 58.100 0.084 0.000 1.304 402 Y CB 1.811 40.321 38.460 0.084 0.000 1.096 402 Y HN 0.826 nan 8.280 nan 0.000 0.499 403 G N 1.555 110.458 108.800 0.172 0.000 4.432 403 G HA2 0.024 3.984 3.960 -0.000 0.000 0.294 403 G HA3 0.024 3.984 3.960 -0.000 0.000 0.294 403 G C 0.113 175.085 174.900 0.120 0.000 1.141 403 G CA -0.477 44.709 45.100 0.144 0.000 0.895 403 G HN 0.567 nan 8.290 nan 0.000 0.548 404 N N -0.845 117.935 118.700 0.133 0.000 2.235 404 N HA 0.239 4.979 4.740 -0.000 0.000 0.231 404 N C -0.203 175.368 175.510 0.100 0.000 1.177 404 N CA -0.483 52.630 53.050 0.106 0.000 0.874 404 N CB 1.019 39.568 38.487 0.104 0.000 1.097 404 N HN -0.002 nan 8.380 nan 0.000 0.518 405 S N -0.601 115.164 115.700 0.108 0.000 2.584 405 S HA 0.223 4.693 4.470 -0.000 0.000 0.280 405 S C -0.503 174.143 174.600 0.077 0.000 1.162 405 S CA -0.552 57.701 58.200 0.088 0.000 0.951 405 S CB 0.880 64.139 63.200 0.098 0.000 1.108 405 S HN 0.203 nan 8.310 nan 0.000 0.464 406 E N 1.875 122.107 120.200 0.054 0.000 2.442 406 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 406 E C 0.365 176.983 176.600 0.029 0.000 1.030 406 E CA 0.252 56.675 56.400 0.038 0.000 0.869 406 E CB 0.373 30.087 29.700 0.022 0.000 0.857 406 E HN 0.647 nan 8.360 nan 0.000 0.505 407 E N 0.591 120.810 120.200 0.033 0.000 2.405 407 E HA -0.014 4.336 4.350 -0.000 0.000 0.253 407 E C 0.407 177.024 176.600 0.028 0.000 1.257 407 E CA -0.459 55.955 56.400 0.023 0.000 0.960 407 E CB 0.497 30.208 29.700 0.018 0.000 1.077 407 E HN -0.044 nan 8.360 nan 0.000 0.512 408 D N -0.044 120.365 120.400 0.017 0.000 2.149 408 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 408 D C 0.527 176.847 176.300 0.034 0.000 0.990 408 D CA 1.164 55.173 54.000 0.015 0.000 0.839 408 D CB 0.007 40.808 40.800 0.000 0.000 0.948 408 D HN 0.079 nan 8.370 nan 0.000 0.460 409 S N 0.214 115.944 115.700 0.050 0.000 2.472 409 S HA 0.214 4.684 4.470 -0.000 0.000 0.303 409 S C -0.388 174.329 174.600 0.194 0.000 1.099 409 S CA -0.882 57.388 58.200 0.115 0.000 1.077 409 S CB 1.129 64.362 63.200 0.057 0.000 1.031 409 S HN -0.149 nan 8.310 nan 0.000 0.487 410 Q N 2.919 122.882 119.800 0.271 0.000 2.394 410 Q HA 0.272 4.612 4.340 -0.000 0.000 0.248 410 Q C 0.293 176.509 176.000 0.360 0.000 0.992 410 Q CA 0.100 56.076 55.803 0.289 0.000 0.888 410 Q CB 0.779 29.715 28.738 0.329 0.000 1.257 410 Q HN 0.838 nan 8.270 nan 0.000 0.462 411 E N 0.536 120.857 120.200 0.201 0.000 2.299 411 E HA 0.413 4.763 4.350 -0.000 0.000 0.260 411 E C -0.672 175.861 176.600 -0.112 0.000 0.944 411 E CA -0.824 55.602 56.400 0.044 0.000 0.815 411 E CB 0.882 30.583 29.700 0.002 0.000 1.252 411 E HN 0.521 nan 8.360 nan 0.000 0.418 412 H N -0.021 118.827 119.070 -0.369 0.000 2.822 412 H HA 0.157 4.713 4.556 -0.000 0.000 0.373 412 H C -0.001 175.257 175.328 -0.118 0.000 1.223 412 H CA 0.255 56.052 56.048 -0.419 0.000 1.436 412 H CB 0.767 30.238 29.762 -0.484 0.000 1.439 412 H HN 0.605 nan 8.280 nan 0.000 0.618 413 T N -1.665 112.966 114.554 0.129 0.000 2.906 413 T HA 0.364 4.714 4.350 -0.000 0.000 0.295 413 T C 1.061 175.906 174.700 0.242 0.000 1.061 413 T CA -0.628 61.566 62.100 0.156 0.000 1.000 413 T CB 1.744 70.694 68.868 0.137 0.000 1.103 413 T HN 0.653 nan 8.240 nan 0.000 0.486 414 G N 0.416 109.358 108.800 0.236 0.000 2.985 414 G HA2 0.207 4.167 3.960 -0.000 0.000 0.209 414 G HA3 0.207 4.167 3.960 -0.000 0.000 0.209 414 G C 0.597 175.638 174.900 0.235 0.000 1.165 414 G CA -0.065 45.214 45.100 0.298 0.000 0.776 414 G HN 0.898 nan 8.290 nan 0.000 0.541 415 S N 0.730 116.566 115.700 0.226 0.000 2.552 415 S HA 0.135 4.605 4.470 -0.000 0.000 0.289 415 S C 1.008 175.751 174.600 0.238 0.000 1.304 415 S CA -0.436 57.871 58.200 0.178 0.000 1.063 415 S CB 0.306 63.599 63.200 0.155 0.000 0.848 415 S HN 0.630 nan 8.310 nan 0.000 0.499 416 Q N 2.839 122.723 119.800 0.140 0.000 2.474 416 Q HA 0.436 4.776 4.340 -0.000 0.000 0.256 416 Q C -0.347 175.809 176.000 0.259 0.000 1.048 416 Q CA -0.416 55.493 55.803 0.177 0.000 0.922 416 Q CB 0.136 28.953 28.738 0.132 0.000 1.288 416 Q HN 0.587 nan 8.270 nan 0.000 0.484 417 L N -2.761 118.657 121.223 0.325 0.000 2.491 417 L HA 0.579 4.919 4.340 -0.000 0.000 0.254 417 L C -0.524 176.421 176.870 0.125 0.000 1.048 417 L CA -1.390 53.581 54.840 0.217 0.000 0.855 417 L CB 1.564 43.751 42.059 0.213 0.000 1.466 417 L HN 0.739 nan 8.230 nan 0.000 0.409 418 R N 0.937 121.456 120.500 0.032 0.000 2.640 418 R HA 0.532 4.872 4.340 -0.000 0.000 0.270 418 R C -1.096 175.093 176.300 -0.186 0.000 1.024 418 R CA 0.119 56.190 56.100 -0.049 0.000 1.085 418 R CB 0.315 30.596 30.300 -0.032 0.000 0.963 418 R HN 0.863 nan 8.270 nan 0.000 0.426 419 I N 2.888 123.320 120.570 -0.229 0.000 2.571 419 I HA 0.539 4.709 4.170 -0.000 0.000 0.289 419 I C -1.599 174.413 176.117 -0.175 0.000 1.115 419 I CA -0.383 60.714 61.300 -0.338 0.000 1.045 419 I CB 1.947 39.585 38.000 -0.603 0.000 1.238 419 I HN 0.815 nan 8.210 nan 0.000 0.424 420 A N 5.513 128.249 122.820 -0.140 0.000 2.469 420 A HA 1.029 5.349 4.320 -0.000 0.000 0.299 420 A C -1.320 176.238 177.584 -0.044 0.000 1.098 420 A CA -0.143 51.854 52.037 -0.066 0.000 0.737 420 A CB 1.862 20.838 19.000 -0.041 0.000 1.312 420 A HN 1.170 nan 8.150 nan 0.000 0.414 421 A N -0.149 122.674 122.820 0.006 0.000 2.609 421 A HA 0.797 5.117 4.320 -0.000 0.000 0.291 421 A C -1.759 175.895 177.584 0.115 0.000 1.096 421 A CA -0.396 51.664 52.037 0.038 0.000 0.684 421 A CB 1.157 20.163 19.000 0.010 0.000 1.282 421 A HN 2.023 nan 8.150 nan 0.000 0.412 422 Y N 0.062 120.353 120.300 -0.015 0.000 2.504 422 Y HA 0.599 5.149 4.550 -0.000 0.000 0.344 422 Y C 0.212 176.107 175.900 -0.008 0.000 1.023 422 Y CA 0.572 58.667 58.100 -0.008 0.000 1.020 422 Y CB 1.659 40.117 38.460 -0.005 0.000 1.282 422 Y HN 2.441 nan 8.280 nan 0.000 0.454 423 G N 4.093 112.377 108.800 -0.859 0.000 2.483 423 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.521 423 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.521 423 G C -3.145 171.572 174.900 -0.305 0.000 1.278 423 G CA -1.013 43.707 45.100 -0.633 0.000 0.965 423 G HN 0.568 nan 8.290 nan 0.000 0.504 424 P HA 0.239 nan 4.420 nan 0.000 0.261 424 P C 0.335 177.617 177.300 -0.030 0.000 1.183 424 P CA 1.089 64.098 63.100 -0.151 0.000 0.761 424 P CB -0.041 31.628 31.700 -0.051 0.000 0.785 425 H N 1.044 120.070 119.070 -0.074 0.000 3.237 425 H HA -0.214 4.342 4.556 -0.000 0.000 0.231 425 H C 1.295 176.599 175.328 -0.040 0.000 1.148 425 H CA 0.869 56.890 56.048 -0.046 0.000 1.155 425 H CB -1.747 27.995 29.762 -0.033 0.000 1.210 425 H HN 0.563 nan 8.280 nan 0.000 0.317 426 A N 0.756 123.577 122.820 0.001 0.000 2.125 426 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 426 A C 2.516 180.106 177.584 0.010 0.000 1.156 426 A CA 1.673 53.709 52.037 -0.002 0.000 0.671 426 A CB -0.455 18.520 19.000 -0.042 0.000 0.794 426 A HN 0.579 nan 8.150 nan 0.000 0.459 427 A N 0.525 123.349 122.820 0.006 0.000 2.019 427 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 427 A C 1.603 179.209 177.584 0.037 0.000 1.164 427 A CA 1.454 53.499 52.037 0.014 0.000 0.644 427 A CB -0.520 18.482 19.000 0.003 0.000 0.805 427 A HN 0.540 nan 8.150 nan 0.000 0.449 428 N N 0.094 118.829 118.700 0.059 0.000 2.609 428 N HA -0.071 4.669 4.740 -0.000 0.000 0.190 428 N C 1.295 176.843 175.510 0.064 0.000 1.157 428 N CA 1.372 54.464 53.050 0.069 0.000 0.918 428 N CB 0.113 38.653 38.487 0.088 0.000 0.978 428 N HN 0.598 nan 8.380 nan 0.000 0.448 429 V N -3.401 116.537 119.914 0.041 0.000 3.578 429 V HA 0.256 4.376 4.120 -0.000 0.000 0.290 429 V C 0.726 176.832 176.094 0.021 0.000 1.376 429 V CA -0.190 62.124 62.300 0.024 0.000 1.083 429 V CB -0.130 31.679 31.823 -0.024 0.000 0.911 429 V HN -0.230 nan 8.190 nan 0.000 0.433 430 V N 2.541 122.472 119.914 0.028 0.000 2.775 430 V HA 0.741 4.861 4.120 -0.000 0.000 0.299 430 V C 1.331 177.449 176.094 0.040 0.000 1.062 430 V CA 0.894 63.211 62.300 0.028 0.000 1.063 430 V CB 0.009 31.847 31.823 0.024 0.000 0.994 430 V HN 1.048 nan 8.190 nan 0.000 0.483 431 G N 3.076 111.900 108.800 0.040 0.000 2.593 431 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.237 431 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.237 431 G C -0.805 174.135 174.900 0.067 0.000 1.312 431 G CA 0.024 45.154 45.100 0.048 0.000 0.896 431 G HN 1.150 nan 8.290 nan 0.000 0.574 432 L N 1.640 122.906 121.223 0.073 0.000 2.290 432 L HA 0.756 5.096 4.340 -0.000 0.000 0.284 432 L C 1.023 177.960 176.870 0.111 0.000 1.078 432 L CA 1.119 56.016 54.840 0.096 0.000 0.815 432 L CB 1.123 43.232 42.059 0.083 0.000 1.162 432 L HN 1.607 nan 8.230 nan 0.000 0.435 433 T N 0.342 114.990 114.554 0.157 0.000 2.812 433 T HA 0.553 4.903 4.350 -0.000 0.000 0.294 433 T C -1.023 173.794 174.700 0.194 0.000 1.159 433 T CA -0.868 61.334 62.100 0.169 0.000 1.008 433 T CB 1.350 70.332 68.868 0.189 0.000 1.289 433 T HN 0.585 nan 8.240 nan 0.000 0.514 434 D N -0.964 119.525 120.400 0.149 0.000 2.272 434 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 434 D C 1.229 177.541 176.300 0.020 0.000 0.990 434 D CA -0.646 53.379 54.000 0.042 0.000 0.931 434 D CB 2.121 42.927 40.800 0.010 0.000 1.195 434 D HN 0.679 nan 8.370 nan 0.000 0.477 435 Q N 0.277 119.912 119.800 -0.274 0.000 2.181 435 Q HA -0.176 4.164 4.340 -0.000 0.000 0.205 435 Q C 1.481 177.548 176.000 0.112 0.000 0.980 435 Q CA 2.115 57.756 55.803 -0.270 0.000 0.862 435 Q CB -0.045 28.461 28.738 -0.386 0.000 0.905 435 Q HN 0.737 nan 8.270 nan 0.000 0.429 436 T N -2.130 112.463 114.554 0.065 0.000 2.962 436 T HA -0.108 4.242 4.350 -0.000 0.000 0.270 436 T C 1.213 176.129 174.700 0.360 0.000 1.088 436 T CA 1.101 63.312 62.100 0.186 0.000 1.127 436 T CB -0.165 68.766 68.868 0.105 0.000 0.883 436 T HN 0.237 nan 8.240 nan 0.000 0.493 437 D N 0.986 121.552 120.400 0.276 0.000 2.218 437 D HA -0.031 4.609 4.640 -0.000 0.000 0.204 437 D C 1.944 178.439 176.300 0.325 0.000 0.976 437 D CA 0.610 54.786 54.000 0.294 0.000 0.853 437 D CB -0.147 40.774 40.800 0.201 0.000 0.939 437 D HN 0.291 nan 8.370 nan 0.000 0.481 438 L N 0.528 121.954 121.223 0.338 0.000 2.083 438 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 438 L C 2.015 179.050 176.870 0.275 0.000 1.083 438 L CA 1.297 56.316 54.840 0.297 0.000 0.752 438 L CB -0.870 41.400 42.059 0.352 0.000 0.899 438 L HN -0.067 nan 8.230 nan 0.000 0.433 439 F N -0.732 119.330 119.950 0.187 0.000 2.102 439 F HA -0.277 4.250 4.527 -0.000 0.000 0.298 439 F C 2.082 177.824 175.800 -0.098 0.000 1.105 439 F CA 1.796 59.813 58.000 0.028 0.000 1.239 439 F CB -0.658 38.285 39.000 -0.094 0.000 0.991 439 F HN 0.144 nan 8.300 nan 0.000 0.474 440 Y N 0.197 120.485 120.300 -0.021 0.000 2.293 440 Y HA -0.155 4.395 4.550 -0.000 0.000 0.291 440 Y C 2.677 178.485 175.900 -0.154 0.000 1.137 440 Y CA 1.756 59.766 58.100 -0.150 0.000 1.202 440 Y CB -1.157 37.330 38.460 0.046 0.000 0.990 440 Y HN 0.021 nan 8.280 nan 0.000 0.537 441 T N 0.054 114.650 114.554 0.069 0.000 2.746 441 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 441 T C 1.909 176.561 174.700 -0.081 0.000 1.039 441 T CA 1.605 63.711 62.100 0.011 0.000 1.142 441 T CB -0.268 68.641 68.868 0.068 0.000 0.866 441 T HN 0.293 nan 8.240 nan 0.000 0.444 442 M N 0.514 120.058 119.600 -0.093 0.000 2.156 442 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 442 M C 2.421 178.595 176.300 -0.210 0.000 1.067 442 M CA 1.395 56.635 55.300 -0.100 0.000 1.131 442 M CB -0.356 32.233 32.600 -0.019 0.000 1.368 442 M HN 0.102 nan 8.290 nan 0.000 0.416 443 K N 0.897 121.063 120.400 -0.391 0.000 2.009 443 K HA -0.158 4.162 4.320 -0.000 0.000 0.210 443 K C 1.997 178.446 176.600 -0.252 0.000 1.049 443 K CA 1.751 57.785 56.287 -0.421 0.000 0.929 443 K CB -0.132 31.949 32.500 -0.699 0.000 0.714 443 K HN 0.265 nan 8.250 nan 0.000 0.440 444 A N 0.808 123.495 122.820 -0.220 0.000 1.930 444 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 444 A C 2.297 179.706 177.584 -0.292 0.000 1.175 444 A CA 1.731 53.649 52.037 -0.198 0.000 0.627 444 A CB -0.773 18.132 19.000 -0.159 0.000 0.815 444 A HN 0.499 nan 8.150 nan 0.000 0.443 445 A N -0.126 122.487 122.820 -0.345 0.000 1.883 445 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 445 A C 2.110 179.597 177.584 -0.161 0.000 1.186 445 A CA 1.627 53.434 52.037 -0.384 0.000 0.624 445 A CB -0.600 18.288 19.000 -0.187 0.000 0.822 445 A HN 0.477 nan 8.150 nan 0.000 0.444 446 L N -1.380 119.772 121.223 -0.118 0.000 2.313 446 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 446 L C 1.584 178.414 176.870 -0.067 0.000 1.119 446 L CA 0.540 55.339 54.840 -0.068 0.000 0.809 446 L CB -0.460 41.567 42.059 -0.054 0.000 0.933 446 L HN 0.626 nan 8.230 nan 0.000 0.449 447 G N 1.196 109.938 108.800 -0.097 0.000 2.289 447 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.280 447 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.280 447 G C 0.036 174.901 174.900 -0.058 0.000 1.089 447 G CA -0.329 44.728 45.100 -0.072 0.000 0.939 447 G HN 0.193 nan 8.290 nan 0.000 0.499 448 L N -0.101 121.074 121.223 -0.080 0.000 2.453 448 L HA 0.387 4.726 4.340 -0.000 0.000 0.272 448 L C 1.147 177.991 176.870 -0.043 0.000 1.182 448 L CA -0.108 54.693 54.840 -0.066 0.000 0.858 448 L CB 0.897 42.895 42.059 -0.101 0.000 1.120 448 L HN 0.473 nan 8.230 nan 0.000 0.474 449 K N 0.000 120.387 120.400 -0.022 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 449 K CB 0.000 32.500 32.500 0.000 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543