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 1yr2_1_A DATA FIRST_RESID 38 DATA SEQUENCE PPYPASPQVP LVEDHFGEKV SDPWRWLEAD VRTDAKVAAW VQAQSAYTAA DATA SEQUENCE YLKQLPERAA LEKRMKALID YERFGLPQRR GASVFYSWNS GLMNQSQLLV DATA SEQUENCE RPADAPVGTK GRVLLDPNTW XXXXATALDA WAASDDGRLL AYSVQDGGSD DATA SEQUENCE WRTVKFVGVA DGKPLADELK WVKFSGLAWL GNDALLYSRF AEPXXXXXXX DATA SEQUENCE XLNYNQTVWL HRLGTPQSAD QPVFATPELP KRGHGASVSS DGRWVVITSS DATA SEQUENCE EGTDPVNTVH VARVTNGKIG PVTALIPDLK AQWDFVDGVG DQLWFVSGDG DATA SEQUENCE APLKKIVRVD LSGSTPRFDT VVPESKDNLE SVGIAGNRLF ASYIHDAKSQ DATA SEQUENCE VLAFDLDGKP AGAVSLPGIG SASGLSGRPG DRHAYLSFSS FTQPATVLAL DATA SEQUENCE DPATAKTTPW EPVHLTFDPA DFRVEQVFYP SKDGTKVPMF IVRRKDAKGP DATA SEQUENCE LPTLLYGYGG FNVALTPWFS AGFMTWIDSG GAFALANLRG GGEYGDAWHD DATA SEQUENCE AGRRDKKQNV FDDFIAAGEW LIANGVTPRH GLAIEGGSNG GLLIGAVTNQ DATA SEQUENCE RPDLFAAASP AVGVMDMLRF DQFTAGRYWV DDYGYPEKEA DWRVLRRYSP DATA SEQUENCE YHNVRSGVDY PAILVTTADT DDRVVPGHSF KYTAALQTAA IGPKPHLIRI DATA SEQUENCE EXXXXXXXXX PIDKQIEETA DVQAFLAHFT GLTPRPWSSV DKLAAALEHH DATA SEQUENCE H 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.329 177.300 0.048 0.000 1.155 38 P CA 0.000 63.123 63.100 0.038 0.000 0.800 38 P CB 0.000 31.736 31.700 0.061 0.000 0.726 39 P HA 0.205 nan 4.420 nan 0.000 0.271 39 P C -0.611 176.638 177.300 -0.086 0.000 1.216 39 P CA -0.026 63.029 63.100 -0.074 0.000 0.776 39 P CB 0.227 31.919 31.700 -0.013 0.000 0.881 40 Y N 1.721 121.934 120.300 -0.145 0.000 2.652 40 Y HA 0.107 4.658 4.550 0.003 0.000 0.344 40 Y C -1.287 174.391 175.900 -0.371 0.000 1.254 40 Y CA -1.307 56.500 58.100 -0.488 0.000 1.480 40 Y CB -1.427 36.838 38.460 -0.325 0.000 1.345 40 Y HN 0.374 nan 8.280 nan 0.000 0.617 41 P HA 0.155 nan 4.420 nan 0.000 0.269 41 P C -0.968 176.306 177.300 -0.044 0.000 1.215 41 P CA -0.278 62.719 63.100 -0.173 0.000 0.780 41 P CB 0.483 32.001 31.700 -0.304 0.000 0.898 42 A N 1.906 124.757 122.820 0.052 0.000 2.498 42 A HA 0.286 4.607 4.320 0.003 0.000 0.239 42 A C 0.264 178.046 177.584 0.330 0.000 1.068 42 A CA 0.433 52.568 52.037 0.162 0.000 0.766 42 A CB -0.316 18.775 19.000 0.152 0.000 1.003 42 A HN 0.411 nan 8.150 nan 0.000 0.497 43 S N 4.026 119.967 115.700 0.401 0.000 2.150 43 S HA 0.395 4.867 4.470 0.003 0.000 0.171 43 S C -2.687 172.342 174.600 0.716 0.000 1.620 43 S CA -0.789 57.784 58.200 0.622 0.000 1.190 43 S CB 0.440 63.880 63.200 0.400 0.000 1.102 43 S HN 0.601 nan 8.310 nan 0.000 0.464 44 P HA 0.051 nan 4.420 nan 0.000 0.265 44 P C -0.416 177.120 177.300 0.393 0.000 1.187 44 P CA 0.124 63.417 63.100 0.322 0.000 0.766 44 P CB 0.398 32.128 31.700 0.051 0.000 0.820 45 Q N 0.787 120.661 119.800 0.123 0.000 2.256 45 Q HA 0.442 4.783 4.340 0.003 0.000 0.257 45 Q C -0.874 175.078 176.000 -0.081 0.000 0.936 45 Q CA -0.911 54.818 55.803 -0.123 0.000 0.903 45 Q CB 1.622 30.187 28.738 -0.288 0.000 1.263 45 Q HN 0.167 nan 8.270 nan 0.000 0.440 46 V N 4.691 124.577 119.914 -0.048 0.000 2.294 46 V HA 0.244 4.366 4.120 0.003 0.000 0.272 46 V C -2.207 173.850 176.094 -0.061 0.000 1.027 46 V CA -1.902 60.374 62.300 -0.039 0.000 0.823 46 V CB 0.743 32.582 31.823 0.027 0.000 1.030 46 V HN 0.649 nan 8.190 nan 0.000 0.457 47 P HA 0.210 nan 4.420 nan 0.000 0.262 47 P C -0.826 176.450 177.300 -0.040 0.000 1.182 47 P CA 0.043 63.095 63.100 -0.079 0.000 0.761 47 P CB 0.495 32.158 31.700 -0.062 0.000 0.795 48 L N 4.696 125.901 121.223 -0.032 0.000 2.639 48 L HA 0.425 4.767 4.340 0.003 0.000 0.264 48 L C -1.686 175.198 176.870 0.023 0.000 0.948 48 L CA -0.378 54.465 54.840 0.006 0.000 0.912 48 L CB 1.875 43.955 42.059 0.035 0.000 1.294 48 L HN 0.061 nan 8.230 nan 0.000 0.412 49 V N 4.328 124.254 119.914 0.020 0.000 2.531 49 V HA 0.601 4.723 4.120 0.003 0.000 0.301 49 V C -0.399 175.704 176.094 0.014 0.000 1.034 49 V CA -0.529 61.791 62.300 0.034 0.000 0.865 49 V CB 1.914 33.748 31.823 0.018 0.000 0.995 49 V HN 0.773 nan 8.190 nan 0.000 0.424 50 E N 2.368 122.587 120.200 0.032 0.000 2.227 50 E HA 0.442 4.794 4.350 0.003 0.000 0.268 50 E C -1.421 175.075 176.600 -0.173 0.000 0.907 50 E CA -0.925 55.422 56.400 -0.087 0.000 0.786 50 E CB 1.906 31.571 29.700 -0.059 0.000 1.191 50 E HN 0.598 nan 8.360 nan 0.000 0.411 51 D N 2.065 122.266 120.400 -0.332 0.000 2.295 51 D HA 0.205 4.847 4.640 0.003 0.000 0.248 51 D C -0.564 175.342 176.300 -0.657 0.000 1.154 51 D CA 0.167 53.961 54.000 -0.343 0.000 0.857 51 D CB 0.644 41.286 40.800 -0.262 0.000 1.117 51 D HN 0.322 nan 8.370 nan 0.000 0.468 52 H N 2.264 121.119 119.070 -0.358 0.000 2.906 52 H HA 0.099 4.657 4.556 0.003 0.000 0.324 52 H C 0.104 175.004 175.328 -0.713 0.000 0.973 52 H CA -0.624 54.983 56.048 -0.736 0.000 1.321 52 H CB 0.702 29.988 29.762 -0.793 0.000 1.535 52 H HN 0.325 nan 8.280 nan 0.000 0.518 53 F N 1.578 121.289 119.950 -0.398 0.000 3.067 53 F HA -0.244 4.285 4.527 0.003 0.000 0.279 53 F C 1.569 177.252 175.800 -0.194 0.000 0.945 53 F CA 1.329 59.142 58.000 -0.311 0.000 0.948 53 F CB -1.957 36.790 39.000 -0.421 0.000 0.898 53 F HN 1.004 nan 8.300 nan 0.000 0.746 54 G N -1.067 107.696 108.800 -0.061 0.000 2.179 54 G HA2 -0.291 3.671 3.960 0.003 0.000 0.260 54 G HA3 -0.291 3.671 3.960 0.003 0.000 0.260 54 G C 0.158 175.059 174.900 0.001 0.000 0.977 54 G CA 0.313 45.400 45.100 -0.022 0.000 0.641 54 G HN 0.540 nan 8.290 nan 0.000 0.533 55 E N 0.077 120.274 120.200 -0.005 0.000 2.235 55 E HA 0.530 4.881 4.350 0.003 0.000 0.265 55 E C -0.314 176.323 176.600 0.063 0.000 0.940 55 E CA -0.980 55.464 56.400 0.074 0.000 0.819 55 E CB 1.094 30.916 29.700 0.203 0.000 1.206 55 E HN 0.026 nan 8.360 nan 0.000 0.409 56 K N 1.271 121.730 120.400 0.098 0.000 2.159 56 K HA 0.445 4.767 4.320 0.003 0.000 0.266 56 K C -0.806 175.900 176.600 0.177 0.000 0.975 56 K CA -0.695 55.649 56.287 0.096 0.000 0.865 56 K CB 1.728 34.264 32.500 0.059 0.000 1.087 56 K HN 0.197 nan 8.250 nan 0.000 0.446 57 V N 1.355 121.401 119.914 0.220 0.000 2.443 57 V HA 0.191 4.313 4.120 0.003 0.000 0.293 57 V C 0.093 176.317 176.094 0.218 0.000 1.021 57 V CA -0.812 61.651 62.300 0.271 0.000 0.848 57 V CB 1.706 33.765 31.823 0.393 0.000 0.998 57 V HN 0.778 nan 8.190 nan 0.000 0.424 58 S N 3.012 118.814 115.700 0.170 0.000 2.537 58 S HA 0.465 4.936 4.470 0.003 0.000 0.275 58 S C -0.459 174.226 174.600 0.141 0.000 1.272 58 S CA -0.255 58.008 58.200 0.105 0.000 1.050 58 S CB 0.799 64.015 63.200 0.027 0.000 0.961 58 S HN 0.851 nan 8.310 nan 0.000 0.496 59 D N 4.104 124.582 120.400 0.130 0.000 2.714 59 D HA 0.341 4.983 4.640 0.003 0.000 0.264 59 D C -2.103 174.256 176.300 0.099 0.000 1.231 59 D CA -1.500 52.642 54.000 0.237 0.000 0.802 59 D CB 1.164 42.164 40.800 0.333 0.000 1.319 59 D HN 0.283 nan 8.370 nan 0.000 0.528 60 P HA 0.072 nan 4.420 nan 0.000 0.233 60 P C 0.610 177.661 177.300 -0.415 0.000 1.167 60 P CA 0.409 63.255 63.100 -0.423 0.000 0.770 60 P CB 0.124 31.254 31.700 -0.950 0.000 0.837 61 W N -0.428 120.934 121.300 0.102 0.000 2.771 61 W HA 0.367 5.029 4.660 0.002 0.000 0.412 61 W C 1.519 177.811 176.519 -0.379 0.000 0.965 61 W CA -0.554 56.648 57.345 -0.237 0.000 2.045 61 W CB -0.431 28.848 29.460 -0.302 0.000 1.176 61 W HN 0.031 nan 8.180 nan 0.000 0.634 62 R N 1.454 121.976 120.500 0.037 0.000 2.159 62 R HA -0.179 4.162 4.340 0.003 0.000 0.237 62 R C 2.259 178.561 176.300 0.003 0.000 1.131 62 R CA 2.337 58.452 56.100 0.025 0.000 0.982 62 R CB -0.567 29.798 30.300 0.109 0.000 0.868 62 R HN 0.309 nan 8.270 nan 0.000 0.453 63 W N -0.043 121.277 121.300 0.033 0.000 2.364 63 W HA -0.164 4.498 4.660 0.002 0.000 0.281 63 W C 0.771 177.288 176.519 -0.004 0.000 1.219 63 W CA 0.395 57.750 57.345 0.017 0.000 1.220 63 W CB -0.704 28.763 29.460 0.011 0.000 1.127 63 W HN 0.087 nan 8.180 nan 0.000 0.556 64 L N 1.199 121.957 121.223 -0.774 0.000 2.622 64 L HA -0.058 4.284 4.340 0.003 0.000 0.233 64 L C 2.183 178.882 176.870 -0.285 0.000 1.156 64 L CA 0.938 55.336 54.840 -0.736 0.000 0.866 64 L CB -0.423 40.962 42.059 -1.124 0.000 0.980 64 L HN 0.001 nan 8.230 nan 0.000 0.448 65 E N 0.307 120.386 120.200 -0.201 0.000 2.358 65 E HA 0.044 4.396 4.350 0.003 0.000 0.195 65 E C 1.025 177.602 176.600 -0.037 0.000 1.010 65 E CA 0.059 56.363 56.400 -0.160 0.000 0.856 65 E CB 0.174 29.856 29.700 -0.030 0.000 0.795 65 E HN 0.439 nan 8.360 nan 0.000 0.504 66 A N 1.765 124.612 122.820 0.044 0.000 2.425 66 A HA -0.018 4.304 4.320 0.003 0.000 0.242 66 A C 0.161 177.800 177.584 0.092 0.000 1.077 66 A CA -0.376 51.716 52.037 0.093 0.000 0.781 66 A CB 0.339 19.423 19.000 0.141 0.000 1.020 66 A HN 0.003 nan 8.150 nan 0.000 0.494 67 D N 1.656 122.108 120.400 0.086 0.000 2.434 67 D HA -0.010 4.632 4.640 0.003 0.000 0.252 67 D C 1.269 177.640 176.300 0.119 0.000 1.185 67 D CA 0.217 54.269 54.000 0.086 0.000 0.886 67 D CB 1.214 42.056 40.800 0.070 0.000 1.148 67 D HN 0.220 nan 8.370 nan 0.000 0.483 68 V N 5.623 125.628 119.914 0.152 0.000 2.568 68 V HA -0.233 3.889 4.120 0.003 0.000 0.253 68 V C 2.195 178.361 176.094 0.121 0.000 1.072 68 V CA 1.762 64.162 62.300 0.167 0.000 1.084 68 V CB -0.221 31.730 31.823 0.212 0.000 0.676 68 V HN 0.520 nan 8.190 nan 0.000 0.469 69 R N -0.068 120.491 120.500 0.099 0.000 2.236 69 R HA -0.021 4.321 4.340 0.003 0.000 0.208 69 R C 1.753 178.095 176.300 0.071 0.000 1.036 69 R CA 1.546 57.693 56.100 0.078 0.000 1.001 69 R CB -0.208 30.131 30.300 0.065 0.000 0.896 69 R HN 0.729 nan 8.270 nan 0.000 0.464 70 T N -3.775 110.824 114.554 0.076 0.000 3.058 70 T HA 0.109 4.460 4.350 0.003 0.000 0.278 70 T C -0.047 174.699 174.700 0.076 0.000 0.974 70 T CA -0.494 61.647 62.100 0.068 0.000 0.893 70 T CB 0.540 69.444 68.868 0.059 0.000 1.138 70 T HN -0.105 nan 8.240 nan 0.000 0.529 71 D N 0.963 121.420 120.400 0.096 0.000 2.462 71 D HA 0.572 5.213 4.640 0.003 0.000 0.245 71 D C 1.194 177.566 176.300 0.120 0.000 1.122 71 D CA -0.229 53.837 54.000 0.111 0.000 0.864 71 D CB 1.965 42.851 40.800 0.143 0.000 1.098 71 D HN 0.127 nan 8.370 nan 0.000 0.541 72 A N 4.732 127.608 122.820 0.093 0.000 1.940 72 A HA -0.200 4.121 4.320 0.003 0.000 0.219 72 A C 2.034 179.686 177.584 0.113 0.000 1.176 72 A CA 1.339 53.428 52.037 0.086 0.000 0.631 72 A CB -0.142 18.891 19.000 0.055 0.000 0.814 72 A HN 0.609 nan 8.150 nan 0.000 0.446 73 K N -0.629 119.843 120.400 0.120 0.000 2.026 73 K HA -0.077 4.244 4.320 0.003 0.000 0.208 73 K C 1.911 178.726 176.600 0.359 0.000 1.048 73 K CA 1.522 57.892 56.287 0.138 0.000 0.929 73 K CB -0.276 32.215 32.500 -0.015 0.000 0.713 73 K HN 0.300 nan 8.250 nan 0.000 0.439 74 V N 1.073 121.218 119.914 0.384 0.000 2.343 74 V HA -0.243 3.879 4.120 0.003 0.000 0.247 74 V C 2.307 178.555 176.094 0.257 0.000 1.051 74 V CA 1.972 64.478 62.300 0.343 0.000 1.036 74 V CB -0.636 31.332 31.823 0.242 0.000 0.654 74 V HN 0.395 nan 8.190 nan 0.000 0.451 75 A N 0.076 123.014 122.820 0.196 0.000 1.908 75 A HA -0.141 4.180 4.320 0.003 0.000 0.218 75 A C 2.411 180.076 177.584 0.135 0.000 1.181 75 A CA 2.188 54.310 52.037 0.142 0.000 0.627 75 A CB -0.739 18.327 19.000 0.111 0.000 0.818 75 A HN 0.575 nan 8.150 nan 0.000 0.445 76 A N -1.871 121.046 122.820 0.161 0.000 1.930 76 A HA -0.109 4.212 4.320 0.003 0.000 0.217 76 A C 1.984 179.664 177.584 0.159 0.000 1.175 76 A CA 1.424 53.541 52.037 0.134 0.000 0.627 76 A CB -0.805 18.270 19.000 0.125 0.000 0.815 76 A HN 0.832 nan 8.150 nan 0.000 0.443 77 W N 0.429 121.762 121.300 0.054 0.000 2.379 77 W HA -0.140 4.521 4.660 0.003 0.000 0.307 77 W C 2.011 178.459 176.519 -0.118 0.000 1.200 77 W CA 2.067 59.420 57.345 0.014 0.000 1.297 77 W CB -0.264 29.249 29.460 0.089 0.000 1.140 77 W HN 0.094 nan 8.180 nan 0.000 0.507 78 V N 0.818 120.792 119.914 0.099 0.000 2.287 78 V HA -0.390 3.731 4.120 0.003 0.000 0.248 78 V C 2.372 178.376 176.094 -0.150 0.000 1.053 78 V CA 2.508 64.733 62.300 -0.125 0.000 1.027 78 V CB -1.154 30.639 31.823 -0.049 0.000 0.646 78 V HN 0.385 nan 8.190 nan 0.000 0.447 79 Q N -0.173 119.592 119.800 -0.058 0.000 2.050 79 Q HA -0.211 4.130 4.340 0.003 0.000 0.202 79 Q C 2.216 178.167 176.000 -0.083 0.000 0.980 79 Q CA 2.141 57.918 55.803 -0.044 0.000 0.840 79 Q CB -0.325 28.414 28.738 0.001 0.000 0.898 79 Q HN 0.624 nan 8.270 nan 0.000 0.424 80 A N 0.427 123.172 122.820 -0.125 0.000 1.877 80 A HA -0.205 4.117 4.320 0.003 0.000 0.216 80 A C 2.075 179.532 177.584 -0.211 0.000 1.186 80 A CA 1.466 53.417 52.037 -0.142 0.000 0.620 80 A CB -0.530 18.378 19.000 -0.153 0.000 0.822 80 A HN 0.437 nan 8.150 nan 0.000 0.443 81 Q N -0.506 119.022 119.800 -0.453 0.000 2.079 81 Q HA -0.105 4.236 4.340 0.003 0.000 0.200 81 Q C 2.451 178.340 176.000 -0.185 0.000 0.974 81 Q CA 1.571 57.085 55.803 -0.482 0.000 0.840 81 Q CB -0.706 27.447 28.738 -0.976 0.000 0.898 81 Q HN 0.624 nan 8.270 nan 0.000 0.430 82 S N 0.422 116.022 115.700 -0.167 0.000 2.368 82 S HA -0.111 4.360 4.470 0.003 0.000 0.225 82 S C 1.941 176.540 174.600 -0.002 0.000 1.030 82 S CA 1.201 59.365 58.200 -0.060 0.000 0.999 82 S CB -0.059 63.115 63.200 -0.044 0.000 0.844 82 S HN 0.432 nan 8.310 nan 0.000 0.459 83 A N -0.218 122.603 122.820 0.001 0.000 1.930 83 A HA -0.019 4.302 4.320 0.003 0.000 0.217 83 A C 1.989 179.609 177.584 0.061 0.000 1.175 83 A CA 1.507 53.560 52.037 0.027 0.000 0.627 83 A CB -1.096 17.916 19.000 0.021 0.000 0.815 83 A HN 0.733 nan 8.150 nan 0.000 0.443 84 Y N 1.106 121.380 120.300 -0.043 0.000 2.181 84 Y HA -0.201 4.351 4.550 0.003 0.000 0.288 84 Y C 2.649 178.572 175.900 0.038 0.000 1.146 84 Y CA 2.415 60.510 58.100 -0.009 0.000 1.164 84 Y CB -0.471 37.966 38.460 -0.039 0.000 0.982 84 Y HN 0.302 nan 8.280 nan 0.000 0.515 85 T N 0.306 114.968 114.554 0.180 0.000 2.857 85 T HA -0.110 4.242 4.350 0.003 0.000 0.266 85 T C 2.076 176.835 174.700 0.099 0.000 1.048 85 T CA 1.167 63.349 62.100 0.137 0.000 1.139 85 T CB -0.629 68.298 68.868 0.099 0.000 0.874 85 T HN 0.482 nan 8.240 nan 0.000 0.455 86 A N 1.467 124.322 122.820 0.058 0.000 1.933 86 A HA 0.168 4.490 4.320 0.003 0.000 0.218 86 A C 2.624 180.221 177.584 0.023 0.000 1.175 86 A CA 1.755 53.817 52.037 0.043 0.000 0.628 86 A CB -1.041 17.975 19.000 0.027 0.000 0.814 86 A HN 0.491 nan 8.150 nan 0.000 0.444 87 A N -1.545 121.271 122.820 -0.008 0.000 1.933 87 A HA -0.134 4.188 4.320 0.003 0.000 0.218 87 A C 2.142 179.698 177.584 -0.046 0.000 1.175 87 A CA 1.709 53.719 52.037 -0.045 0.000 0.628 87 A CB -0.752 18.196 19.000 -0.087 0.000 0.814 87 A HN 0.737 nan 8.150 nan 0.000 0.444 88 Y N 0.279 120.494 120.300 -0.141 0.000 2.184 88 Y HA -0.068 4.484 4.550 0.003 0.000 0.290 88 Y C 1.962 177.853 175.900 -0.015 0.000 1.129 88 Y CA 1.772 59.818 58.100 -0.091 0.000 1.144 88 Y CB -0.213 38.208 38.460 -0.065 0.000 0.995 88 Y HN 0.194 nan 8.280 nan 0.000 0.513 89 L N 0.199 121.501 121.223 0.130 0.000 2.141 89 L HA -0.203 4.139 4.340 0.003 0.000 0.209 89 L C 2.405 179.256 176.870 -0.032 0.000 1.094 89 L CA 1.457 56.356 54.840 0.098 0.000 0.763 89 L CB -0.476 41.681 42.059 0.163 0.000 0.908 89 L HN 0.128 nan 8.230 nan 0.000 0.437 90 K N -0.100 120.272 120.400 -0.046 0.000 2.280 90 K HA -0.197 4.125 4.320 0.003 0.000 0.202 90 K C 2.060 178.596 176.600 -0.106 0.000 1.047 90 K CA 0.963 57.217 56.287 -0.056 0.000 0.942 90 K CB 0.106 32.581 32.500 -0.042 0.000 0.739 90 K HN 0.295 nan 8.250 nan 0.000 0.457 91 Q N -0.019 119.667 119.800 -0.190 0.000 2.389 91 Q HA 0.088 4.430 4.340 0.003 0.000 0.204 91 Q C -0.392 175.445 176.000 -0.271 0.000 0.944 91 Q CA 0.052 55.711 55.803 -0.240 0.000 0.908 91 Q CB 0.334 28.865 28.738 -0.344 0.000 1.002 91 Q HN 0.229 nan 8.270 nan 0.000 0.493 92 L N 2.828 123.888 121.223 -0.272 0.000 2.369 92 L HA 0.092 4.433 4.340 0.003 0.000 0.279 92 L C -1.444 175.347 176.870 -0.131 0.000 1.108 92 L CA -1.158 53.522 54.840 -0.267 0.000 0.852 92 L CB 0.531 42.475 42.059 -0.193 0.000 1.169 92 L HN 0.059 nan 8.230 nan 0.000 0.452 93 P HA -0.063 nan 4.420 nan 0.000 0.233 93 P C 0.619 177.909 177.300 -0.016 0.000 1.167 93 P CA 0.671 63.740 63.100 -0.051 0.000 0.770 93 P CB 0.424 32.099 31.700 -0.042 0.000 0.837 94 E N -0.179 120.022 120.200 0.002 0.000 2.358 94 E HA -0.032 4.319 4.350 0.003 0.000 0.195 94 E C 2.185 178.810 176.600 0.040 0.000 1.010 94 E CA 0.322 56.739 56.400 0.028 0.000 0.856 94 E CB -0.545 29.190 29.700 0.058 0.000 0.795 94 E HN 0.194 nan 8.360 nan 0.000 0.504 95 R N 0.694 121.215 120.500 0.035 0.000 2.081 95 R HA -0.104 4.238 4.340 0.003 0.000 0.235 95 R C 2.103 178.429 176.300 0.043 0.000 1.131 95 R CA 1.334 57.465 56.100 0.052 0.000 0.960 95 R CB -0.228 30.097 30.300 0.041 0.000 0.856 95 R HN 0.245 nan 8.270 nan 0.000 0.436 96 A N 0.769 123.605 122.820 0.026 0.000 1.892 96 A HA -0.190 4.131 4.320 0.003 0.000 0.218 96 A C 2.338 179.940 177.584 0.030 0.000 1.188 96 A CA 2.018 54.069 52.037 0.024 0.000 0.631 96 A CB -0.849 18.159 19.000 0.013 0.000 0.822 96 A HN 0.548 nan 8.150 nan 0.000 0.447 97 A N -0.811 122.027 122.820 0.030 0.000 1.929 97 A HA 0.103 4.425 4.320 0.003 0.000 0.216 97 A C 2.159 179.769 177.584 0.043 0.000 1.176 97 A CA 1.342 53.398 52.037 0.032 0.000 0.628 97 A CB -0.484 18.530 19.000 0.023 0.000 0.816 97 A HN 0.460 nan 8.150 nan 0.000 0.444 98 L N -0.914 120.341 121.223 0.053 0.000 2.072 98 L HA -0.140 4.202 4.340 0.003 0.000 0.205 98 L C 2.594 179.505 176.870 0.068 0.000 1.079 98 L CA 1.656 56.539 54.840 0.072 0.000 0.752 98 L CB -0.438 41.685 42.059 0.106 0.000 0.906 98 L HN 0.549 nan 8.230 nan 0.000 0.436 99 E N 0.679 120.916 120.200 0.061 0.000 2.085 99 E HA -0.300 4.052 4.350 0.003 0.000 0.194 99 E C 2.221 178.850 176.600 0.049 0.000 0.994 99 E CA 1.413 57.844 56.400 0.053 0.000 0.801 99 E CB 0.090 29.817 29.700 0.045 0.000 0.743 99 E HN 0.303 nan 8.360 nan 0.000 0.453 100 K N 0.279 120.707 120.400 0.047 0.000 2.057 100 K HA -0.207 4.115 4.320 0.003 0.000 0.206 100 K C 2.354 178.988 176.600 0.057 0.000 1.050 100 K CA 1.270 57.585 56.287 0.047 0.000 0.935 100 K CB -0.062 32.464 32.500 0.042 0.000 0.715 100 K HN -0.098 nan 8.250 nan 0.000 0.439 101 R N 0.949 121.485 120.500 0.060 0.000 2.073 101 R HA -0.081 4.261 4.340 0.003 0.000 0.234 101 R C 2.267 178.611 176.300 0.072 0.000 1.134 101 R CA 1.956 58.098 56.100 0.069 0.000 0.952 101 R CB -0.445 29.893 30.300 0.063 0.000 0.850 101 R HN 0.323 nan 8.270 nan 0.000 0.433 102 M N 0.117 119.754 119.600 0.062 0.000 2.086 102 M HA -0.167 4.315 4.480 0.003 0.000 0.261 102 M C 1.762 178.103 176.300 0.067 0.000 1.067 102 M CA 1.800 57.134 55.300 0.057 0.000 1.116 102 M CB -0.063 32.562 32.600 0.041 0.000 1.348 102 M HN 0.039 nan 8.290 nan 0.000 0.407 103 K N 0.048 120.483 120.400 0.060 0.000 2.074 103 K HA -0.171 4.151 4.320 0.003 0.000 0.209 103 K C 1.837 178.482 176.600 0.076 0.000 1.048 103 K CA 1.611 57.932 56.287 0.058 0.000 0.926 103 K CB -0.337 32.191 32.500 0.047 0.000 0.713 103 K HN 0.477 nan 8.250 nan 0.000 0.444 104 A N 0.708 123.580 122.820 0.085 0.000 2.119 104 A HA -0.025 4.296 4.320 0.003 0.000 0.217 104 A C 1.865 179.533 177.584 0.139 0.000 1.153 104 A CA 0.877 52.973 52.037 0.098 0.000 0.692 104 A CB -0.246 18.810 19.000 0.094 0.000 0.799 104 A HN 0.165 nan 8.150 nan 0.000 0.458 105 L N -0.403 120.920 121.223 0.167 0.000 2.509 105 L HA 0.017 4.359 4.340 0.003 0.000 0.222 105 L C 1.809 178.888 176.870 0.348 0.000 1.123 105 L CA -0.102 54.892 54.840 0.256 0.000 0.856 105 L CB -0.130 42.069 42.059 0.235 0.000 0.985 105 L HN 0.262 nan 8.230 nan 0.000 0.456 106 I N -0.529 120.181 120.570 0.233 0.000 2.233 106 I HA -0.098 4.074 4.170 0.003 0.000 0.243 106 I C 0.529 176.696 176.117 0.084 0.000 1.093 106 I CA 1.208 62.618 61.300 0.183 0.000 1.380 106 I CB -0.569 37.473 38.000 0.070 0.000 1.067 106 I HN 0.137 nan 8.210 nan 0.000 0.413 107 D N 1.123 121.558 120.400 0.058 0.000 2.349 107 D HA 0.468 5.110 4.640 0.003 0.000 0.232 107 D C -0.856 175.441 176.300 -0.005 0.000 1.071 107 D CA -0.067 53.868 54.000 -0.107 0.000 0.832 107 D CB 1.305 42.065 40.800 -0.068 0.000 1.086 107 D HN 0.151 nan 8.370 nan 0.000 0.504 108 Y N -1.371 118.889 120.300 -0.067 0.000 2.609 108 Y HA 0.312 4.863 4.550 0.003 0.000 0.336 108 Y C -0.004 175.818 175.900 -0.129 0.000 1.129 108 Y CA -1.504 56.544 58.100 -0.086 0.000 1.040 108 Y CB 0.619 39.016 38.460 -0.105 0.000 1.310 108 Y HN 0.200 nan 8.280 nan 0.000 0.460 109 E N 2.282 122.506 120.200 0.039 0.000 2.404 109 E HA 0.513 4.865 4.350 0.003 0.000 0.261 109 E C -1.122 175.452 176.600 -0.042 0.000 1.074 109 E CA -0.709 55.597 56.400 -0.156 0.000 0.917 109 E CB 0.913 30.616 29.700 0.005 0.000 0.965 109 E HN 0.774 nan 8.360 nan 0.000 0.433 110 R N 1.813 122.142 120.500 -0.285 0.000 2.604 110 R HA 0.395 4.737 4.340 0.003 0.000 0.281 110 R C -1.319 174.929 176.300 -0.087 0.000 1.020 110 R CA -0.717 55.360 56.100 -0.038 0.000 0.899 110 R CB 1.222 31.498 30.300 -0.040 0.000 1.205 110 R HN 0.405 nan 8.270 nan 0.000 0.450 111 F N 0.434 120.525 119.950 0.235 0.000 2.450 111 F HA 0.528 5.056 4.527 0.003 0.000 0.332 111 F C 1.252 177.241 175.800 0.314 0.000 1.093 111 F CA -0.330 57.898 58.000 0.381 0.000 1.003 111 F CB 1.866 41.131 39.000 0.442 0.000 1.151 111 F HN 0.625 nan 8.300 nan 0.000 0.474 112 G N 2.198 111.307 108.800 0.515 0.000 2.562 112 G HA2 0.481 4.443 3.960 0.003 0.000 0.275 112 G HA3 0.481 4.443 3.960 0.003 0.000 0.275 112 G C -0.675 174.434 174.900 0.347 0.000 1.196 112 G CA -0.835 44.498 45.100 0.388 0.000 0.908 112 G HN 0.581 nan 8.290 nan 0.000 0.524 113 L N 2.241 123.584 121.223 0.200 0.000 2.499 113 L HA 0.192 4.534 4.340 0.003 0.000 0.273 113 L C -1.515 175.375 176.870 0.035 0.000 1.195 113 L CA -1.144 53.717 54.840 0.035 0.000 0.882 113 L CB 0.798 42.878 42.059 0.035 0.000 1.133 113 L HN 0.333 nan 8.230 nan 0.000 0.483 114 P HA 0.147 nan 4.420 nan 0.000 0.282 114 P C -1.380 175.893 177.300 -0.045 0.000 1.249 114 P CA -0.615 62.379 63.100 -0.177 0.000 0.806 114 P CB 1.081 32.330 31.700 -0.752 0.000 0.984 115 Q N 2.244 122.197 119.800 0.256 0.000 2.333 115 Q HA 0.360 4.701 4.340 0.003 0.000 0.268 115 Q C -0.172 176.044 176.000 0.360 0.000 1.007 115 Q CA -0.367 55.609 55.803 0.288 0.000 0.810 115 Q CB 2.293 31.251 28.738 0.366 0.000 1.264 115 Q HN 0.411 nan 8.270 nan 0.000 0.452 116 R N 2.231 122.886 120.500 0.258 0.000 2.229 116 R HA 0.504 4.846 4.340 0.003 0.000 0.328 116 R C -0.161 176.294 176.300 0.258 0.000 1.009 116 R CA -0.566 55.691 56.100 0.261 0.000 0.864 116 R CB 1.097 31.525 30.300 0.213 0.000 1.085 116 R HN 0.200 nan 8.270 nan 0.000 0.453 117 R N 1.902 122.593 120.500 0.317 0.000 2.574 117 R HA 0.366 4.707 4.340 0.003 0.000 0.288 117 R C 0.397 176.820 176.300 0.206 0.000 1.004 117 R CA -0.205 56.034 56.100 0.231 0.000 0.895 117 R CB 1.864 32.277 30.300 0.188 0.000 1.191 117 R HN 0.845 nan 8.270 nan 0.000 0.444 118 G N 2.318 111.193 108.800 0.126 0.000 2.629 118 G HA2 -0.428 3.534 3.960 0.003 0.000 0.313 118 G HA3 -0.428 3.534 3.960 0.003 0.000 0.313 118 G C 0.539 175.492 174.900 0.088 0.000 1.217 118 G CA 0.739 45.895 45.100 0.094 0.000 0.994 118 G HN 0.724 nan 8.290 nan 0.000 0.549 119 A N -0.304 122.557 122.820 0.069 0.000 2.307 119 A HA 0.675 4.996 4.320 0.003 0.000 0.218 119 A C 1.062 178.655 177.584 0.015 0.000 1.228 119 A CA 1.715 53.778 52.037 0.042 0.000 0.857 119 A CB -0.037 18.978 19.000 0.025 0.000 0.897 119 A HN 1.338 nan 8.150 nan 0.000 0.495 120 S N -1.535 114.177 115.700 0.019 0.000 2.570 120 S HA 0.580 5.052 4.470 0.003 0.000 0.286 120 S C -0.990 173.559 174.600 -0.084 0.000 1.099 120 S CA -0.478 57.648 58.200 -0.124 0.000 0.913 120 S CB 2.040 65.040 63.200 -0.334 0.000 1.085 120 S HN 0.351 nan 8.310 nan 0.000 0.480 121 V N 2.878 122.688 119.914 -0.174 0.000 2.604 121 V HA 0.745 4.867 4.120 0.003 0.000 0.305 121 V C -1.997 174.023 176.094 -0.123 0.000 1.043 121 V CA -0.626 61.680 62.300 0.010 0.000 0.888 121 V CB 1.034 32.928 31.823 0.117 0.000 0.995 121 V HN 0.760 nan 8.190 nan 0.000 0.429 122 F N 7.489 127.579 119.950 0.233 0.000 2.507 122 F HA 0.809 5.337 4.527 0.003 0.000 0.325 122 F C -0.517 175.451 175.800 0.281 0.000 1.116 122 F CA -0.639 57.416 58.000 0.092 0.000 0.930 122 F CB 1.778 40.774 39.000 -0.008 0.000 1.146 122 F HN 0.624 nan 8.300 nan 0.000 0.447 123 Y N -0.708 119.678 120.300 0.144 0.000 2.521 123 Y HA 0.592 5.144 4.550 0.003 0.000 0.332 123 Y C -0.670 175.327 175.900 0.162 0.000 1.121 123 Y CA -2.000 56.256 58.100 0.259 0.000 1.037 123 Y CB 0.451 39.137 38.460 0.377 0.000 1.330 123 Y HN 0.572 nan 8.280 nan 0.000 0.452 124 S N 1.385 117.270 115.700 0.308 0.000 2.585 124 S HA 0.538 5.010 4.470 0.003 0.000 0.273 124 S C -1.040 173.740 174.600 0.299 0.000 1.339 124 S CA -0.104 58.206 58.200 0.182 0.000 1.028 124 S CB 0.947 64.294 63.200 0.245 0.000 0.906 124 S HN 0.981 nan 8.310 nan 0.000 0.528 125 W N 2.411 123.654 121.300 -0.096 0.000 3.259 125 W HA 0.521 5.182 4.660 0.003 0.000 0.331 125 W C -1.580 174.811 176.519 -0.212 0.000 1.144 125 W CA -0.480 56.732 57.345 -0.222 0.000 1.227 125 W CB 1.441 30.716 29.460 -0.309 0.000 1.371 125 W HN 0.783 nan 8.180 nan 0.000 0.491 126 N N 2.247 120.341 118.700 -1.010 0.000 2.284 126 N HA 0.170 4.911 4.740 0.003 0.000 0.300 126 N C 0.780 175.251 175.510 -1.732 0.000 1.047 126 N CA 0.312 52.724 53.050 -1.063 0.000 0.821 126 N CB 2.385 40.530 38.487 -0.569 0.000 1.337 126 N HN 0.499 nan 8.380 nan 0.000 0.482 127 S N 1.598 116.372 115.700 -1.544 0.000 2.474 127 S HA 0.079 4.551 4.470 0.003 0.000 0.235 127 S C 1.314 175.616 174.600 -0.495 0.000 0.997 127 S CA 1.106 58.695 58.200 -1.019 0.000 0.949 127 S CB -0.055 62.881 63.200 -0.439 0.000 0.766 127 S HN 0.939 nan 8.310 nan 0.000 0.517 128 G N 0.788 109.302 108.800 -0.476 0.000 2.278 128 G HA2 -0.192 3.769 3.960 0.003 0.000 0.210 128 G HA3 -0.192 3.769 3.960 0.003 0.000 0.210 128 G C 0.591 175.334 174.900 -0.262 0.000 1.000 128 G CA 0.141 45.033 45.100 -0.347 0.000 0.635 128 G HN 0.490 nan 8.290 nan 0.000 0.495 129 L N 0.462 121.545 121.223 -0.234 0.000 2.590 129 L HA 0.516 4.858 4.340 0.003 0.000 0.227 129 L C 1.238 178.014 176.870 -0.156 0.000 1.099 129 L CA 0.059 54.804 54.840 -0.159 0.000 0.872 129 L CB 0.103 42.096 42.059 -0.111 0.000 1.088 129 L HN 0.194 nan 8.230 nan 0.000 0.479 130 M N -0.030 119.449 119.600 -0.202 0.000 2.318 130 M HA 0.134 4.616 4.480 0.003 0.000 0.347 130 M C 1.259 177.462 176.300 -0.161 0.000 1.175 130 M CA 0.028 55.224 55.300 -0.175 0.000 1.075 130 M CB 1.359 33.835 32.600 -0.207 0.000 1.614 130 M HN 0.002 nan 8.290 nan 0.000 0.456 131 N N 1.451 120.075 118.700 -0.128 0.000 2.166 131 N HA -0.121 4.621 4.740 0.003 0.000 0.186 131 N C -0.276 175.163 175.510 -0.117 0.000 1.019 131 N CA 1.184 54.169 53.050 -0.108 0.000 0.856 131 N CB 0.486 38.923 38.487 -0.084 0.000 0.993 131 N HN 0.649 nan 8.380 nan 0.000 0.426 132 Q N 0.215 119.929 119.800 -0.143 0.000 2.394 132 Q HA 0.326 4.667 4.340 0.003 0.000 0.273 132 Q C -1.034 174.859 176.000 -0.177 0.000 1.089 132 Q CA -0.708 55.005 55.803 -0.150 0.000 0.812 132 Q CB 2.354 30.988 28.738 -0.174 0.000 1.353 132 Q HN -0.006 nan 8.270 nan 0.000 0.438 133 S N 1.579 117.188 115.700 -0.151 0.000 2.572 133 S HA 0.043 4.515 4.470 0.003 0.000 0.279 133 S C -0.189 174.316 174.600 -0.159 0.000 1.341 133 S CA -0.263 57.844 58.200 -0.154 0.000 1.043 133 S CB 0.468 63.616 63.200 -0.086 0.000 0.887 133 S HN 0.365 nan 8.310 nan 0.000 0.516 134 Q N 0.551 120.275 119.800 -0.127 0.000 2.317 134 Q HA 0.435 4.776 4.340 0.003 0.000 0.229 134 Q C -0.805 175.094 176.000 -0.168 0.000 0.984 134 Q CA -0.686 55.029 55.803 -0.147 0.000 0.911 134 Q CB 0.594 29.296 28.738 -0.060 0.000 1.217 134 Q HN 0.396 nan 8.270 nan 0.000 0.501 135 L N 2.302 123.365 121.223 -0.267 0.000 2.265 135 L HA 0.384 4.726 4.340 0.003 0.000 0.289 135 L C -1.413 175.235 176.870 -0.370 0.000 1.033 135 L CA 0.076 54.677 54.840 -0.400 0.000 0.814 135 L CB 0.554 42.273 42.059 -0.566 0.000 1.203 135 L HN 0.464 nan 8.230 nan 0.000 0.423 136 L N 5.347 126.277 121.223 -0.489 0.000 2.344 136 L HA 0.747 5.089 4.340 0.003 0.000 0.272 136 L C -0.553 175.948 176.870 -0.615 0.000 1.035 136 L CA -1.018 53.478 54.840 -0.572 0.000 0.807 136 L CB 1.926 43.512 42.059 -0.788 0.000 1.237 136 L HN 0.426 nan 8.230 nan 0.000 0.442 137 V N 2.526 122.178 119.914 -0.436 0.000 2.971 137 V HA 0.737 4.859 4.120 0.003 0.000 0.309 137 V C -1.148 174.796 176.094 -0.250 0.000 1.130 137 V CA -0.391 61.657 62.300 -0.420 0.000 0.964 137 V CB 2.414 33.953 31.823 -0.473 0.000 1.029 137 V HN 0.978 nan 8.190 nan 0.000 0.427 138 R N 3.967 124.355 120.500 -0.186 0.000 2.752 138 R HA 0.689 5.030 4.340 0.003 0.000 0.271 138 R C -3.222 173.017 176.300 -0.102 0.000 1.026 138 R CA -1.896 54.145 56.100 -0.098 0.000 0.901 138 R CB 1.457 31.756 30.300 -0.001 0.000 1.243 138 R HN 0.424 nan 8.270 nan 0.000 0.463 139 P HA 0.028 nan 4.420 nan 0.000 0.266 139 P C 0.104 177.391 177.300 -0.021 0.000 1.195 139 P CA 0.363 63.434 63.100 -0.049 0.000 0.768 139 P CB 0.917 32.597 31.700 -0.033 0.000 0.838 140 A N 3.429 126.246 122.820 -0.004 0.000 1.972 140 A HA -0.175 4.146 4.320 0.003 0.000 0.219 140 A C 1.484 179.080 177.584 0.021 0.000 1.169 140 A CA 1.829 53.883 52.037 0.027 0.000 0.635 140 A CB -0.960 18.076 19.000 0.060 0.000 0.810 140 A HN 0.683 nan 8.150 nan 0.000 0.446 141 D N -0.290 120.119 120.400 0.015 0.000 2.328 141 D HA 0.319 4.960 4.640 0.003 0.000 0.221 141 D C 0.605 176.900 176.300 -0.009 0.000 1.072 141 D CA 0.506 54.513 54.000 0.010 0.000 0.850 141 D CB -0.220 40.591 40.800 0.019 0.000 0.922 141 D HN 0.329 nan 8.370 nan 0.000 0.516 142 A N 1.817 124.627 122.820 -0.017 0.000 2.462 142 A HA 0.388 4.710 4.320 0.003 0.000 0.243 142 A C -2.209 175.346 177.584 -0.049 0.000 1.076 142 A CA -0.977 51.040 52.037 -0.034 0.000 0.773 142 A CB -0.118 18.859 19.000 -0.038 0.000 1.010 142 A HN 0.036 nan 8.150 nan 0.000 0.493 143 P HA 0.151 nan 4.420 nan 0.000 0.265 143 P C -0.301 176.918 177.300 -0.134 0.000 1.193 143 P CA -0.153 62.898 63.100 -0.081 0.000 0.765 143 P CB 0.304 31.957 31.700 -0.077 0.000 0.823 144 V N 3.116 122.931 119.914 -0.165 0.000 2.644 144 V HA 0.197 4.319 4.120 0.003 0.000 0.305 144 V C 1.699 177.601 176.094 -0.319 0.000 1.053 144 V CA 2.018 64.125 62.300 -0.322 0.000 1.186 144 V CB -0.442 31.179 31.823 -0.336 0.000 0.895 144 V HN 1.058 nan 8.190 nan 0.000 0.490 145 G N 3.574 112.133 108.800 -0.401 0.000 2.176 145 G HA2 -0.218 3.743 3.960 0.003 0.000 0.232 145 G HA3 -0.218 3.743 3.960 0.003 0.000 0.232 145 G C 0.278 175.057 174.900 -0.201 0.000 0.986 145 G CA 0.010 44.935 45.100 -0.291 0.000 0.643 145 G HN 0.755 nan 8.290 nan 0.000 0.522 146 T N 1.598 116.043 114.554 -0.181 0.000 2.814 146 T HA 0.435 4.787 4.350 0.003 0.000 0.297 146 T C 0.538 175.165 174.700 -0.122 0.000 0.956 146 T CA 0.288 62.311 62.100 -0.128 0.000 1.123 146 T CB 1.418 70.226 68.868 -0.100 0.000 0.902 146 T HN 0.456 nan 8.240 nan 0.000 0.528 147 K N 3.101 123.423 120.400 -0.129 0.000 2.472 147 K HA 0.261 4.583 4.320 0.003 0.000 0.280 147 K C 0.777 177.305 176.600 -0.120 0.000 1.028 147 K CA 0.004 56.194 56.287 -0.160 0.000 1.045 147 K CB -0.115 32.273 32.500 -0.186 0.000 0.902 147 K HN 0.703 nan 8.250 nan 0.000 0.478 148 G N 3.619 112.358 108.800 -0.102 0.000 2.572 148 G HA2 0.170 4.132 3.960 0.003 0.000 0.261 148 G HA3 0.170 4.132 3.960 0.003 0.000 0.261 148 G C -0.823 173.976 174.900 -0.169 0.000 1.197 148 G CA -0.657 44.387 45.100 -0.094 0.000 0.870 148 G HN 0.747 nan 8.290 nan 0.000 0.548 149 R N 0.293 120.696 120.500 -0.162 0.000 2.357 149 R HA 0.339 4.680 4.340 0.003 0.000 0.296 149 R C -0.438 175.758 176.300 -0.174 0.000 1.052 149 R CA -0.613 55.399 56.100 -0.147 0.000 0.988 149 R CB 0.865 31.094 30.300 -0.118 0.000 1.025 149 R HN 0.214 nan 8.270 nan 0.000 0.469 150 V N 7.109 126.938 119.914 -0.142 0.000 2.421 150 V HA -0.039 4.083 4.120 0.003 0.000 0.271 150 V C 0.990 177.014 176.094 -0.117 0.000 1.031 150 V CA 0.097 62.314 62.300 -0.138 0.000 1.032 150 V CB 0.773 32.535 31.823 -0.100 0.000 1.009 150 V HN 0.795 nan 8.190 nan 0.000 0.477 151 L N 6.393 127.529 121.223 -0.145 0.000 2.200 151 L HA 0.387 4.728 4.340 0.003 0.000 0.200 151 L C 0.460 177.267 176.870 -0.106 0.000 1.072 151 L CA 1.643 56.418 54.840 -0.107 0.000 0.787 151 L CB 0.238 42.232 42.059 -0.109 0.000 0.957 151 L HN 0.465 nan 8.230 nan 0.000 0.459 152 L N 0.039 121.160 121.223 -0.170 0.000 2.386 152 L HA 0.424 4.766 4.340 0.003 0.000 0.271 152 L C -1.269 175.470 176.870 -0.219 0.000 0.993 152 L CA -0.618 54.132 54.840 -0.150 0.000 0.819 152 L CB 1.850 43.773 42.059 -0.226 0.000 1.294 152 L HN -0.124 nan 8.230 nan 0.000 0.414 153 D N 3.493 123.754 120.400 -0.231 0.000 2.438 153 D HA 0.308 4.950 4.640 0.003 0.000 0.257 153 D C -2.027 173.800 176.300 -0.789 0.000 1.148 153 D CA -1.856 51.927 54.000 -0.361 0.000 0.902 153 D CB 1.982 42.667 40.800 -0.192 0.000 1.062 153 D HN 0.122 nan 8.370 nan 0.000 0.518 154 P HA -0.049 nan 4.420 nan 0.000 0.222 154 P C 1.025 177.817 177.300 -0.845 0.000 1.147 154 P CA 0.592 62.631 63.100 -1.769 0.000 0.790 154 P CB 0.362 31.352 31.700 -1.184 0.000 0.780 155 N N -0.776 117.636 118.700 -0.480 0.000 2.364 155 N HA -0.088 4.654 4.740 0.003 0.000 0.183 155 N C 1.469 176.893 175.510 -0.144 0.000 1.022 155 N CA 1.858 54.765 53.050 -0.239 0.000 0.883 155 N CB -0.793 37.589 38.487 -0.175 0.000 0.965 155 N HN 0.321 nan 8.380 nan 0.000 0.438 156 T N -3.065 111.395 114.554 -0.156 0.000 3.113 156 T HA 0.028 4.379 4.350 0.003 0.000 0.256 156 T C 0.716 175.540 174.700 0.206 0.000 1.131 156 T CA -0.252 61.861 62.100 0.022 0.000 1.074 156 T CB -0.054 68.849 68.868 0.057 0.000 0.944 156 T HN 0.022 nan 8.240 nan 0.000 0.516 163 T N 1.147 115.785 114.554 0.139 0.000 2.890 163 T HA 0.690 5.042 4.350 0.003 0.000 0.295 163 T C -0.415 174.460 174.700 0.291 0.000 0.993 163 T CA 0.392 62.623 62.100 0.219 0.000 0.979 163 T CB 1.425 70.463 68.868 0.284 0.000 0.967 163 T HN 1.169 nan 8.240 nan 0.000 0.441 164 A N 2.880 125.852 122.820 0.252 0.000 2.350 164 A HA 0.828 5.150 4.320 0.003 0.000 0.324 164 A C -0.621 177.151 177.584 0.314 0.000 1.118 164 A CA -0.790 51.364 52.037 0.194 0.000 0.783 164 A CB 0.918 19.984 19.000 0.110 0.000 1.236 164 A HN 0.758 nan 8.150 nan 0.000 0.457 165 L N 1.642 123.003 121.223 0.229 0.000 2.313 165 L HA 0.336 4.677 4.340 0.003 0.000 0.282 165 L C 0.589 177.590 176.870 0.218 0.000 1.092 165 L CA 0.342 55.367 54.840 0.308 0.000 0.831 165 L CB 0.624 42.776 42.059 0.155 0.000 1.159 165 L HN 0.870 nan 8.230 nan 0.000 0.442 166 D N 3.806 124.348 120.400 0.236 0.000 2.394 166 D HA 0.282 4.923 4.640 0.003 0.000 0.237 166 D C -0.081 176.326 176.300 0.178 0.000 1.028 166 D CA 1.120 55.221 54.000 0.169 0.000 0.937 166 D CB 0.538 41.419 40.800 0.135 0.000 1.072 166 D HN 0.641 nan 8.370 nan 0.000 0.457 167 A N -0.894 122.045 122.820 0.199 0.000 2.469 167 A HA 0.701 5.022 4.320 0.003 0.000 0.299 167 A C -1.429 176.322 177.584 0.279 0.000 1.098 167 A CA -0.787 51.334 52.037 0.140 0.000 0.737 167 A CB 1.395 20.429 19.000 0.057 0.000 1.312 167 A HN 0.392 nan 8.150 nan 0.000 0.414 168 W N -1.213 120.163 121.300 0.127 0.000 3.167 168 W HA 0.785 5.447 4.660 0.002 0.000 0.324 168 W C -1.003 175.591 176.519 0.124 0.000 1.230 168 W CA -0.744 56.687 57.345 0.144 0.000 1.184 168 W CB 1.400 30.938 29.460 0.130 0.000 1.414 168 W HN 1.495 nan 8.180 nan 0.000 0.551 169 A N 1.548 124.634 122.820 0.443 0.000 2.456 169 A HA 0.694 5.015 4.320 0.003 0.000 0.288 169 A C -0.914 176.955 177.584 0.475 0.000 1.042 169 A CA -0.368 51.882 52.037 0.356 0.000 0.738 169 A CB 0.841 20.040 19.000 0.331 0.000 1.266 169 A HN 1.290 nan 8.150 nan 0.000 0.407 170 A N 1.907 124.806 122.820 0.132 0.000 2.340 170 A HA 0.676 4.998 4.320 0.003 0.000 0.268 170 A C 0.984 178.287 177.584 -0.468 0.000 1.100 170 A CA 0.361 52.228 52.037 -0.283 0.000 0.803 170 A CB -0.001 18.466 19.000 -0.889 0.000 1.043 170 A HN 2.129 nan 8.150 nan 0.000 0.488 171 S N 1.161 116.247 115.700 -1.023 0.000 2.587 171 S HA 0.065 4.537 4.470 0.003 0.000 0.260 171 S C 0.316 174.606 174.600 -0.517 0.000 1.353 171 S CA 0.269 57.589 58.200 -1.466 0.000 0.995 171 S CB 0.367 62.633 63.200 -1.556 0.000 0.912 171 S HN 0.613 nan 8.310 nan 0.000 0.568 172 D N 1.061 121.282 120.400 -0.299 0.000 2.182 172 D HA -0.083 4.559 4.640 0.003 0.000 0.201 172 D C 1.252 177.525 176.300 -0.046 0.000 0.986 172 D CA 1.716 55.673 54.000 -0.072 0.000 0.847 172 D CB -0.348 40.462 40.800 0.016 0.000 0.942 172 D HN 0.869 nan 8.370 nan 0.000 0.467 173 D N -1.628 118.724 120.400 -0.080 0.000 2.369 173 D HA 0.157 4.798 4.640 0.003 0.000 0.211 173 D C 1.426 177.732 176.300 0.010 0.000 1.077 173 D CA 0.620 54.609 54.000 -0.018 0.000 0.842 173 D CB 0.005 40.796 40.800 -0.015 0.000 0.947 173 D HN 0.169 nan 8.370 nan 0.000 0.509 174 G N 1.038 109.825 108.800 -0.022 0.000 2.159 174 G HA2 -0.372 3.589 3.960 0.003 0.000 0.256 174 G HA3 -0.372 3.589 3.960 0.003 0.000 0.256 174 G C 1.161 176.150 174.900 0.149 0.000 0.977 174 G CA 0.294 45.472 45.100 0.130 0.000 0.652 174 G HN 0.437 nan 8.290 nan 0.000 0.531 175 R N -0.928 119.577 120.500 0.008 0.000 2.246 175 R HA 0.414 4.756 4.340 0.003 0.000 0.199 175 R C 0.857 177.181 176.300 0.041 0.000 0.984 175 R CA 0.536 56.658 56.100 0.037 0.000 1.015 175 R CB 0.256 30.562 30.300 0.011 0.000 0.930 175 R HN 0.432 nan 8.270 nan 0.000 0.475 176 L N 0.569 121.760 121.223 -0.053 0.000 2.371 176 L HA 0.538 4.880 4.340 0.003 0.000 0.262 176 L C -1.249 175.664 176.870 0.072 0.000 1.006 176 L CA -1.123 53.751 54.840 0.056 0.000 0.818 176 L CB 2.445 44.558 42.059 0.090 0.000 1.354 176 L HN -0.092 nan 8.230 nan 0.000 0.415 177 L N 1.668 123.090 121.223 0.332 0.000 2.410 177 L HA 0.868 5.209 4.340 0.003 0.000 0.270 177 L C -0.702 176.529 176.870 0.602 0.000 0.983 177 L CA -0.093 54.980 54.840 0.389 0.000 0.822 177 L CB 1.817 44.009 42.059 0.221 0.000 1.285 177 L HN 0.698 nan 8.230 nan 0.000 0.409 178 A N 3.831 127.022 122.820 0.617 0.000 2.324 178 A HA 0.784 5.106 4.320 0.003 0.000 0.330 178 A C -1.583 176.135 177.584 0.223 0.000 1.165 178 A CA -0.313 51.793 52.037 0.116 0.000 0.813 178 A CB 0.787 19.691 19.000 -0.160 0.000 1.197 178 A HN 0.792 nan 8.150 nan 0.000 0.484 179 Y N -0.450 119.756 120.300 -0.155 0.000 2.571 179 Y HA 0.763 5.314 4.550 0.003 0.000 0.341 179 Y C -0.353 175.498 175.900 -0.082 0.000 1.076 179 Y CA -1.166 56.938 58.100 0.008 0.000 1.029 179 Y CB 1.095 39.651 38.460 0.160 0.000 1.308 179 Y HN 0.503 nan 8.280 nan 0.000 0.461 180 S N 1.571 117.328 115.700 0.095 0.000 2.451 180 S HA 0.796 5.267 4.470 0.003 0.000 0.301 180 S C -1.351 173.323 174.600 0.124 0.000 1.116 180 S CA -0.487 57.712 58.200 -0.002 0.000 1.093 180 S CB 0.711 63.938 63.200 0.046 0.000 1.017 180 S HN 0.614 nan 8.310 nan 0.000 0.482 181 V N 5.348 125.277 119.914 0.025 0.000 2.604 181 V HA 0.520 4.642 4.120 0.003 0.000 0.305 181 V C -0.201 175.927 176.094 0.057 0.000 1.043 181 V CA -0.767 61.594 62.300 0.101 0.000 0.888 181 V CB 1.680 33.482 31.823 -0.034 0.000 0.995 181 V HN 0.877 nan 8.190 nan 0.000 0.429 182 Q N 2.965 122.831 119.800 0.109 0.000 2.322 182 Q HA 0.369 4.711 4.340 0.003 0.000 0.265 182 Q C -1.323 174.722 176.000 0.074 0.000 0.985 182 Q CA -0.625 55.223 55.803 0.075 0.000 0.849 182 Q CB 1.723 30.510 28.738 0.082 0.000 1.274 182 Q HN 0.746 nan 8.270 nan 0.000 0.449 183 D N 3.470 123.896 120.400 0.043 0.000 2.280 183 D HA 0.345 4.987 4.640 0.003 0.000 0.236 183 D C 0.612 176.937 176.300 0.042 0.000 1.082 183 D CA 0.845 54.867 54.000 0.037 0.000 0.834 183 D CB 1.533 42.333 40.800 -0.000 0.000 1.100 183 D HN 0.938 nan 8.370 nan 0.000 0.486 184 G N 2.980 111.808 108.800 0.046 0.000 2.574 184 G HA2 -0.283 3.679 3.960 0.003 0.000 0.286 184 G HA3 -0.283 3.679 3.960 0.003 0.000 0.286 184 G C 0.726 175.650 174.900 0.039 0.000 1.212 184 G CA 0.043 45.167 45.100 0.039 0.000 0.979 184 G HN 0.651 nan 8.290 nan 0.000 0.557 185 G N -0.106 108.713 108.800 0.032 0.000 3.605 185 G HA2 0.494 4.456 3.960 0.003 0.000 0.277 185 G HA3 0.494 4.456 3.960 0.003 0.000 0.277 185 G C 0.586 175.496 174.900 0.017 0.000 1.093 185 G CA 1.567 46.683 45.100 0.025 0.000 0.821 185 G HN 1.343 nan 8.290 nan 0.000 0.532 186 S N -0.105 115.612 115.700 0.028 0.000 2.568 186 S HA 0.071 4.542 4.470 0.003 0.000 0.282 186 S C 1.050 175.624 174.600 -0.043 0.000 1.338 186 S CA -0.295 57.916 58.200 0.017 0.000 1.045 186 S CB 0.733 63.992 63.200 0.100 0.000 0.873 186 S HN 0.259 nan 8.310 nan 0.000 0.516 187 D N 2.384 122.675 120.400 -0.181 0.000 2.323 187 D HA 0.040 4.681 4.640 0.003 0.000 0.209 187 D C 0.050 176.127 176.300 -0.373 0.000 0.973 187 D CA 0.278 54.079 54.000 -0.332 0.000 0.874 187 D CB 0.055 40.510 40.800 -0.576 0.000 0.930 187 D HN 0.592 nan 8.370 nan 0.000 0.521 188 W N 1.439 122.634 121.300 -0.174 0.000 2.137 188 W HA 0.171 4.832 4.660 0.002 0.000 0.344 188 W C 1.191 177.630 176.519 -0.133 0.000 1.286 188 W CA -0.449 56.810 57.345 -0.143 0.000 1.240 188 W CB 0.731 30.126 29.460 -0.107 0.000 1.141 188 W HN -0.413 nan 8.180 nan 0.000 0.579 189 R N 0.700 121.298 120.500 0.163 0.000 2.837 189 R HA 0.478 4.819 4.340 0.003 0.000 0.271 189 R C -1.021 175.221 176.300 -0.097 0.000 0.993 189 R CA -1.019 55.093 56.100 0.020 0.000 0.931 189 R CB 1.641 31.952 30.300 0.019 0.000 1.206 189 R HN 0.278 nan 8.270 nan 0.000 0.474 190 T N 1.000 115.451 114.554 -0.172 0.000 2.792 190 T HA 0.373 4.724 4.350 0.003 0.000 0.280 190 T C -0.202 174.301 174.700 -0.329 0.000 0.990 190 T CA -0.508 61.421 62.100 -0.284 0.000 0.960 190 T CB 1.741 70.426 68.868 -0.305 0.000 0.939 190 T HN 0.120 nan 8.240 nan 0.000 0.439 191 V N 4.791 124.462 119.914 -0.405 0.000 2.407 191 V HA 0.463 4.585 4.120 0.003 0.000 0.278 191 V C 0.244 175.932 176.094 -0.675 0.000 1.037 191 V CA -0.472 61.499 62.300 -0.548 0.000 0.900 191 V CB 1.158 32.643 31.823 -0.564 0.000 0.983 191 V HN 0.742 nan 8.190 nan 0.000 0.459 192 K N 3.473 123.299 120.400 -0.957 0.000 2.378 192 K HA 0.790 5.111 4.320 0.003 0.000 0.244 192 K C -1.625 174.395 176.600 -0.966 0.000 1.039 192 K CA -0.662 55.129 56.287 -0.826 0.000 0.863 192 K CB 2.372 34.320 32.500 -0.920 0.000 1.326 192 K HN 0.418 nan 8.250 nan 0.000 0.460 193 F N -0.030 119.829 119.950 -0.151 0.000 2.588 193 F HA 0.507 5.035 4.527 0.003 0.000 0.310 193 F C -0.686 175.273 175.800 0.265 0.000 1.082 193 F CA -0.996 57.090 58.000 0.143 0.000 0.929 193 F CB 1.935 41.022 39.000 0.146 0.000 1.254 193 F HN 0.065 nan 8.300 nan 0.000 0.455 194 V N 1.300 121.514 119.914 0.501 0.000 2.876 194 V HA 0.859 4.981 4.120 0.003 0.000 0.312 194 V C -0.348 175.913 176.094 0.278 0.000 1.085 194 V CA -0.536 61.967 62.300 0.337 0.000 0.945 194 V CB 1.988 33.976 31.823 0.274 0.000 1.017 194 V HN 0.890 nan 8.190 nan 0.000 0.428 195 G N 3.730 112.648 108.800 0.196 0.000 2.380 195 G HA2 0.423 4.385 3.960 0.003 0.000 0.262 195 G HA3 0.423 4.385 3.960 0.003 0.000 0.262 195 G C 0.668 175.649 174.900 0.134 0.000 1.243 195 G CA 0.093 45.284 45.100 0.152 0.000 0.865 195 G HN 0.787 nan 8.290 nan 0.000 0.513 196 V N 3.043 123.041 119.914 0.140 0.000 2.407 196 V HA -0.138 3.984 4.120 0.003 0.000 0.245 196 V C 3.111 179.248 176.094 0.072 0.000 1.041 196 V CA 2.210 64.596 62.300 0.143 0.000 1.040 196 V CB -0.741 31.219 31.823 0.229 0.000 0.671 196 V HN 0.834 nan 8.190 nan 0.000 0.455 197 A N 1.528 124.383 122.820 0.058 0.000 1.892 197 A HA -0.281 4.041 4.320 0.003 0.000 0.218 197 A C 1.870 179.466 177.584 0.020 0.000 1.188 197 A CA 2.431 54.484 52.037 0.028 0.000 0.631 197 A CB -0.598 18.418 19.000 0.028 0.000 0.822 197 A HN 0.736 nan 8.150 nan 0.000 0.447 198 D N -3.513 116.907 120.400 0.033 0.000 2.417 198 D HA 0.302 4.943 4.640 0.003 0.000 0.207 198 D C 1.161 177.479 176.300 0.031 0.000 1.075 198 D CA 0.921 54.936 54.000 0.026 0.000 0.851 198 D CB -0.597 40.220 40.800 0.028 0.000 0.976 198 D HN 0.933 nan 8.370 nan 0.000 0.505 199 G N 0.476 109.304 108.800 0.046 0.000 2.153 199 G HA2 -0.330 3.631 3.960 0.003 0.000 0.252 199 G HA3 -0.330 3.631 3.960 0.003 0.000 0.252 199 G C -0.031 174.908 174.900 0.066 0.000 0.994 199 G CA 0.312 45.442 45.100 0.050 0.000 0.698 199 G HN 0.455 nan 8.290 nan 0.000 0.521 200 K N 1.331 121.775 120.400 0.073 0.000 2.156 200 K HA 0.491 4.813 4.320 0.003 0.000 0.271 200 K C -2.101 174.563 176.600 0.106 0.000 0.995 200 K CA -2.002 54.331 56.287 0.075 0.000 0.890 200 K CB 1.524 34.058 32.500 0.057 0.000 1.073 200 K HN 0.023 nan 8.250 nan 0.000 0.454 201 P HA -0.051 nan 4.420 nan 0.000 0.266 201 P C -0.448 176.923 177.300 0.118 0.000 1.195 201 P CA 0.290 63.470 63.100 0.133 0.000 0.768 201 P CB 0.490 32.243 31.700 0.088 0.000 0.838 202 L N 1.768 123.085 121.223 0.157 0.000 2.469 202 L HA 0.368 4.710 4.340 0.003 0.000 0.253 202 L C 1.913 178.834 176.870 0.085 0.000 1.143 202 L CA -0.667 54.242 54.840 0.115 0.000 0.804 202 L CB 0.054 42.186 42.059 0.121 0.000 1.214 202 L HN 0.333 nan 8.230 nan 0.000 0.476 203 A N -0.198 122.650 122.820 0.047 0.000 1.970 203 A HA -0.045 4.277 4.320 0.003 0.000 0.216 203 A C 0.430 178.024 177.584 0.018 0.000 1.170 203 A CA 0.383 52.432 52.037 0.020 0.000 0.645 203 A CB -0.540 18.464 19.000 0.007 0.000 0.816 203 A HN 0.809 nan 8.150 nan 0.000 0.447 204 D N 1.386 121.810 120.400 0.039 0.000 2.458 204 D HA 0.355 4.997 4.640 0.003 0.000 0.243 204 D C -0.102 176.237 176.300 0.064 0.000 1.146 204 D CA 0.800 54.817 54.000 0.029 0.000 0.877 204 D CB 0.421 41.191 40.800 -0.050 0.000 1.176 204 D HN 0.467 nan 8.370 nan 0.000 0.461 205 E N 1.233 121.384 120.200 -0.081 0.000 2.308 205 E HA 0.431 4.782 4.350 0.003 0.000 0.275 205 E C -0.842 175.587 176.600 -0.286 0.000 0.890 205 E CA -0.786 55.511 56.400 -0.172 0.000 0.754 205 E CB 1.955 31.536 29.700 -0.199 0.000 1.207 205 E HN 0.241 nan 8.360 nan 0.000 0.426 206 L N 2.816 123.816 121.223 -0.371 0.000 2.313 206 L HA 0.501 4.843 4.340 0.003 0.000 0.283 206 L C -0.125 176.492 176.870 -0.422 0.000 1.013 206 L CA -0.978 53.583 54.840 -0.466 0.000 0.816 206 L CB 0.898 42.530 42.059 -0.712 0.000 1.236 206 L HN 0.203 nan 8.230 nan 0.000 0.419 207 K N 2.189 122.343 120.400 -0.411 0.000 2.185 207 K HA 0.342 4.663 4.320 0.003 0.000 0.240 207 K C -0.497 175.842 176.600 -0.435 0.000 0.983 207 K CA -0.588 55.320 56.287 -0.632 0.000 0.873 207 K CB 1.328 33.261 32.500 -0.945 0.000 1.118 207 K HN 0.654 nan 8.250 nan 0.000 0.441 208 W N -0.997 120.177 121.300 -0.210 0.000 3.750 208 W HA -0.216 4.445 4.660 0.002 0.000 0.329 208 W C -0.116 176.588 176.519 0.309 0.000 1.247 208 W CA -0.342 56.909 57.345 -0.156 0.000 0.698 208 W CB -2.276 27.041 29.460 -0.237 0.000 2.324 208 W HN 0.068 nan 8.180 nan 0.000 1.357 209 V N 1.315 121.434 119.914 0.341 0.000 2.583 209 V HA 0.494 4.616 4.120 0.003 0.000 0.287 209 V C 0.547 176.891 176.094 0.416 0.000 1.051 209 V CA -0.223 62.293 62.300 0.361 0.000 1.010 209 V CB 1.666 33.565 31.823 0.127 0.000 0.988 209 V HN 0.076 nan 8.190 nan 0.000 0.478 210 K N 3.790 124.417 120.400 0.379 0.000 2.569 210 K HA 0.409 4.730 4.320 0.003 0.000 0.259 210 K C -1.087 175.617 176.600 0.173 0.000 0.932 210 K CA -0.740 55.588 56.287 0.069 0.000 0.833 210 K CB 0.940 33.258 32.500 -0.304 0.000 1.340 210 K HN 0.287 nan 8.250 nan 0.000 0.429 211 F N -0.053 120.011 119.950 0.190 0.000 2.943 211 F HA -0.213 4.316 4.527 0.003 0.000 0.258 211 F C -0.058 175.853 175.800 0.185 0.000 0.995 211 F CA 1.021 59.123 58.000 0.171 0.000 0.896 211 F CB -1.945 37.171 39.000 0.194 0.000 0.821 211 F HN 0.378 nan 8.300 nan 0.000 0.828 212 S N -0.765 115.118 115.700 0.305 0.000 2.566 212 S HA 0.866 5.338 4.470 0.003 0.000 0.298 212 S C 0.558 175.271 174.600 0.188 0.000 1.083 212 S CA -0.047 58.301 58.200 0.246 0.000 0.978 212 S CB 1.698 65.048 63.200 0.250 0.000 1.073 212 S HN 0.653 nan 8.310 nan 0.000 0.491 213 G N 1.363 110.266 108.800 0.171 0.000 2.563 213 G HA2 0.595 4.556 3.960 0.003 0.000 0.283 213 G HA3 0.595 4.556 3.960 0.003 0.000 0.283 213 G C -1.263 173.708 174.900 0.117 0.000 1.309 213 G CA -0.577 44.602 45.100 0.133 0.000 1.022 213 G HN 0.698 nan 8.290 nan 0.000 0.501 214 L N 0.096 121.368 121.223 0.081 0.000 2.404 214 L HA 0.636 4.977 4.340 0.003 0.000 0.272 214 L C -0.247 176.657 176.870 0.056 0.000 0.980 214 L CA -0.760 54.101 54.840 0.035 0.000 0.836 214 L CB 2.111 44.171 42.059 0.001 0.000 1.238 214 L HN 0.643 nan 8.230 nan 0.000 0.408 215 A N 2.829 125.674 122.820 0.041 0.000 2.385 215 A HA 0.619 4.941 4.320 0.003 0.000 0.290 215 A C -1.746 175.898 177.584 0.099 0.000 1.094 215 A CA -0.383 51.725 52.037 0.118 0.000 0.729 215 A CB 0.659 19.748 19.000 0.148 0.000 1.194 215 A HN 0.648 nan 8.150 nan 0.000 0.442 216 W N 1.637 123.025 121.300 0.147 0.000 2.238 216 W HA 0.485 5.147 4.660 0.003 0.000 0.321 216 W C 0.165 176.760 176.519 0.127 0.000 1.293 216 W CA 0.125 57.560 57.345 0.150 0.000 1.204 216 W CB 1.206 30.747 29.460 0.135 0.000 1.167 216 W HN 0.543 nan 8.180 nan 0.000 0.553 217 L N 5.236 126.665 121.223 0.343 0.000 2.321 217 L HA 0.571 4.912 4.340 0.003 0.000 0.272 217 L C 0.739 177.760 176.870 0.252 0.000 1.050 217 L CA 0.607 55.587 54.840 0.234 0.000 0.893 217 L CB -0.281 41.870 42.059 0.153 0.000 1.272 217 L HN 0.742 nan 8.230 nan 0.000 0.435 218 G N 3.955 112.890 108.800 0.225 0.000 2.566 218 G HA2 -0.371 3.591 3.960 0.003 0.000 0.280 218 G HA3 -0.371 3.591 3.960 0.003 0.000 0.280 218 G C 0.627 175.651 174.900 0.207 0.000 1.225 218 G CA 0.390 45.594 45.100 0.174 0.000 0.966 218 G HN 0.604 nan 8.290 nan 0.000 0.560 219 N N 1.852 120.632 118.700 0.134 0.000 2.236 219 N HA 0.168 4.909 4.740 0.003 0.000 0.196 219 N C 0.675 176.286 175.510 0.169 0.000 1.114 219 N CA 1.352 54.425 53.050 0.038 0.000 0.859 219 N CB 0.558 39.034 38.487 -0.019 0.000 0.982 219 N HN 0.753 nan 8.380 nan 0.000 0.493 220 D N -0.879 119.705 120.400 0.306 0.000 2.651 220 D HA 0.354 4.995 4.640 0.003 0.000 0.280 220 D C -0.366 176.067 176.300 0.221 0.000 1.496 220 D CA -0.441 53.726 54.000 0.277 0.000 0.792 220 D CB -0.062 40.805 40.800 0.112 0.000 1.144 220 D HN 0.045 nan 8.370 nan 0.000 0.470 221 A N -0.087 122.922 122.820 0.315 0.000 2.594 221 A HA 0.718 5.039 4.320 0.003 0.000 0.295 221 A C -2.185 175.448 177.584 0.081 0.000 1.071 221 A CA -0.891 51.221 52.037 0.124 0.000 0.685 221 A CB 1.632 20.689 19.000 0.095 0.000 1.285 221 A HN 0.188 nan 8.150 nan 0.000 0.405 222 L N 1.407 122.629 121.223 -0.001 0.000 2.438 222 L HA 0.674 5.016 4.340 0.003 0.000 0.270 222 L C -1.433 175.536 176.870 0.164 0.000 0.972 222 L CA -0.239 54.544 54.840 -0.095 0.000 0.831 222 L CB 1.596 43.509 42.059 -0.243 0.000 1.273 222 L HN 0.688 nan 8.230 nan 0.000 0.405 223 L N 5.752 127.056 121.223 0.135 0.000 2.326 223 L HA 0.528 4.870 4.340 0.003 0.000 0.278 223 L C -0.888 176.131 176.870 0.248 0.000 1.092 223 L CA -0.393 54.553 54.840 0.176 0.000 0.810 223 L CB 0.876 43.000 42.059 0.108 0.000 1.153 223 L HN 0.702 nan 8.230 nan 0.000 0.439 224 Y N 0.153 120.527 120.300 0.123 0.000 2.670 224 Y HA 0.689 5.241 4.550 0.003 0.000 0.334 224 Y C -1.022 174.990 175.900 0.186 0.000 1.185 224 Y CA -1.267 56.904 58.100 0.119 0.000 1.053 224 Y CB 1.246 39.750 38.460 0.075 0.000 1.298 224 Y HN 0.344 nan 8.280 nan 0.000 0.459 225 S N 1.724 117.560 115.700 0.227 0.000 2.501 225 S HA 0.865 5.337 4.470 0.003 0.000 0.301 225 S C -0.891 173.873 174.600 0.274 0.000 1.096 225 S CA -1.072 57.225 58.200 0.162 0.000 1.063 225 S CB 1.547 64.850 63.200 0.172 0.000 1.042 225 S HN 0.846 nan 8.310 nan 0.000 0.494 226 R N 0.401 121.010 120.500 0.182 0.000 2.795 226 R HA 0.752 5.094 4.340 0.003 0.000 0.268 226 R C -1.856 174.487 176.300 0.073 0.000 1.041 226 R CA -0.827 55.451 56.100 0.298 0.000 0.927 226 R CB 0.684 31.183 30.300 0.330 0.000 1.235 226 R HN 0.426 nan 8.270 nan 0.000 0.463 227 F N -0.110 120.068 119.950 0.380 0.000 2.618 227 F HA 0.712 5.241 4.527 0.003 0.000 0.332 227 F C 0.351 176.272 175.800 0.202 0.000 1.061 227 F CA -0.869 57.324 58.000 0.322 0.000 0.974 227 F CB 1.955 41.182 39.000 0.378 0.000 1.310 227 F HN 0.829 nan 8.300 nan 0.000 0.491 228 A N 0.662 123.665 122.820 0.305 0.000 2.531 228 A HA 0.232 4.554 4.320 0.003 0.000 0.236 228 A C 0.019 177.463 177.584 -0.233 0.000 1.062 228 A CA -0.354 51.708 52.037 0.041 0.000 0.760 228 A CB -0.322 18.710 19.000 0.053 0.000 0.995 228 A HN 0.776 nan 8.150 nan 0.000 0.501 229 E N 3.658 123.502 120.200 -0.592 0.000 2.328 229 E HA 0.324 4.675 4.350 0.003 0.000 0.265 229 E C -1.768 174.417 176.600 -0.691 0.000 1.057 229 E CA -1.092 54.553 56.400 -1.259 0.000 0.916 229 E CB 0.256 29.210 29.700 -1.243 0.000 0.993 229 E HN 0.514 nan 8.360 nan 0.000 0.446 240 N N 2.856 121.221 118.700 -0.558 0.000 3.115 240 N HA 0.140 4.881 4.740 0.003 0.000 0.305 240 N C -0.739 174.848 175.510 0.128 0.000 1.305 240 N CA 0.088 52.934 53.050 -0.340 0.000 1.154 240 N CB -0.264 38.142 38.487 -0.135 0.000 1.454 240 N HN 0.266 nan 8.380 nan 0.000 0.551 241 Y N 0.135 120.618 120.300 0.304 0.000 2.419 241 Y HA 0.316 4.867 4.550 0.003 0.000 0.328 241 Y C 1.230 177.344 175.900 0.356 0.000 1.162 241 Y CA -1.632 56.646 58.100 0.297 0.000 1.174 241 Y CB 0.719 39.275 38.460 0.159 0.000 1.228 241 Y HN 0.144 nan 8.280 nan 0.000 0.473 242 N N 0.512 119.435 118.700 0.373 0.000 2.754 242 N HA -0.239 4.503 4.740 0.003 0.000 0.248 242 N C -0.197 175.331 175.510 0.029 0.000 1.093 242 N CA 0.645 53.806 53.050 0.186 0.000 0.699 242 N CB -0.712 37.884 38.487 0.182 0.000 1.016 242 N HN 0.868 nan 8.380 nan 0.000 0.552 243 Q N 0.880 120.584 119.800 -0.160 0.000 2.315 243 Q HA 0.134 4.475 4.340 0.003 0.000 0.289 243 Q C 0.139 176.081 176.000 -0.096 0.000 1.044 243 Q CA 0.677 56.130 55.803 -0.583 0.000 0.920 243 Q CB 0.532 28.913 28.738 -0.594 0.000 1.214 243 Q HN 0.387 nan 8.270 nan 0.000 0.392 244 T N -0.296 114.218 114.554 -0.066 0.000 2.900 244 T HA 0.558 4.910 4.350 0.003 0.000 0.295 244 T C -0.643 174.109 174.700 0.087 0.000 1.044 244 T CA -0.942 61.171 62.100 0.021 0.000 0.995 244 T CB 1.497 70.397 68.868 0.054 0.000 1.072 244 T HN 0.308 nan 8.240 nan 0.000 0.473 245 V N 2.580 122.464 119.914 -0.050 0.000 2.407 245 V HA 0.534 4.655 4.120 0.003 0.000 0.278 245 V C -0.858 175.096 176.094 -0.234 0.000 1.037 245 V CA -0.538 61.733 62.300 -0.048 0.000 0.900 245 V CB 0.285 32.110 31.823 0.002 0.000 0.983 245 V HN 0.894 nan 8.190 nan 0.000 0.459 246 W N 4.002 125.056 121.300 -0.411 0.000 2.902 246 W HA 0.746 5.408 4.660 0.003 0.000 0.346 246 W C -0.770 175.581 176.519 -0.280 0.000 1.139 246 W CA -0.853 56.266 57.345 -0.378 0.000 1.139 246 W CB 1.644 30.800 29.460 -0.507 0.000 1.439 246 W HN 0.352 nan 8.180 nan 0.000 0.558 247 L N 2.121 123.479 121.223 0.226 0.000 2.325 247 L HA 0.443 4.785 4.340 0.003 0.000 0.281 247 L C -0.960 176.137 176.870 0.378 0.000 1.004 247 L CA -0.596 54.390 54.840 0.242 0.000 0.823 247 L CB 0.676 42.813 42.059 0.130 0.000 1.236 247 L HN 0.466 nan 8.230 nan 0.000 0.415 248 H N 4.252 123.517 119.070 0.325 0.000 2.488 248 H HA 0.547 5.104 4.556 0.003 0.000 0.322 248 H C -0.756 174.622 175.328 0.084 0.000 1.078 248 H CA -0.306 55.875 56.048 0.221 0.000 1.260 248 H CB 0.830 30.701 29.762 0.182 0.000 1.425 248 H HN 0.595 nan 8.280 nan 0.000 0.471 249 R N 4.710 124.889 120.500 -0.536 0.000 2.265 249 R HA 0.226 4.567 4.340 0.003 0.000 0.319 249 R C -0.417 175.462 176.300 -0.702 0.000 1.006 249 R CA -1.002 54.831 56.100 -0.445 0.000 0.880 249 R CB 0.994 31.177 30.300 -0.196 0.000 1.077 249 R HN 0.483 nan 8.270 nan 0.000 0.454 250 L N 1.927 122.905 121.223 -0.408 0.000 2.456 250 L HA 0.096 4.438 4.340 0.003 0.000 0.272 250 L C 1.472 178.218 176.870 -0.207 0.000 1.189 250 L CA 1.364 55.999 54.840 -0.342 0.000 0.846 250 L CB 0.788 42.738 42.059 -0.182 0.000 1.111 250 L HN 1.059 nan 8.230 nan 0.000 0.475 251 G N 1.999 110.717 108.800 -0.137 0.000 2.157 251 G HA2 -0.244 3.718 3.960 0.003 0.000 0.248 251 G HA3 -0.244 3.718 3.960 0.003 0.000 0.248 251 G C 0.306 175.178 174.900 -0.047 0.000 0.979 251 G CA 0.429 45.489 45.100 -0.066 0.000 0.650 251 G HN 0.856 nan 8.290 nan 0.000 0.529 252 T N -1.692 112.826 114.554 -0.060 0.000 2.930 252 T HA 0.799 5.150 4.350 0.003 0.000 0.290 252 T C -2.814 171.958 174.700 0.119 0.000 1.052 252 T CA -1.597 60.502 62.100 -0.002 0.000 1.017 252 T CB 3.313 72.156 68.868 -0.043 0.000 1.137 252 T HN 0.086 nan 8.240 nan 0.000 0.511 253 P HA 0.193 nan 4.420 nan 0.000 0.274 253 P C 0.542 177.932 177.300 0.151 0.000 1.237 253 P CA -0.396 62.761 63.100 0.095 0.000 0.793 253 P CB 0.769 32.494 31.700 0.042 0.000 0.977 254 Q N 1.499 121.338 119.800 0.064 0.000 2.181 254 Q HA -0.164 4.177 4.340 0.003 0.000 0.205 254 Q C 1.676 177.706 176.000 0.051 0.000 0.980 254 Q CA 2.113 57.938 55.803 0.037 0.000 0.862 254 Q CB -0.331 28.343 28.738 -0.106 0.000 0.905 254 Q HN 0.558 nan 8.270 nan 0.000 0.429 255 S N -0.766 114.953 115.700 0.032 0.000 2.469 255 S HA -0.034 4.438 4.470 0.003 0.000 0.238 255 S C 1.702 176.349 174.600 0.079 0.000 0.998 255 S CA 0.715 58.933 58.200 0.031 0.000 0.957 255 S CB -0.063 63.151 63.200 0.024 0.000 0.764 255 S HN 0.448 nan 8.310 nan 0.000 0.514 256 A N 0.859 123.741 122.820 0.103 0.000 2.251 256 A HA 0.246 4.568 4.320 0.003 0.000 0.209 256 A C 0.277 177.963 177.584 0.172 0.000 1.187 256 A CA -0.183 51.922 52.037 0.113 0.000 0.823 256 A CB -0.246 18.800 19.000 0.076 0.000 0.846 256 A HN 0.404 nan 8.150 nan 0.000 0.486 257 D N 0.413 120.958 120.400 0.241 0.000 2.378 257 D HA 0.204 4.846 4.640 0.003 0.000 0.238 257 D C 0.247 176.836 176.300 0.482 0.000 1.180 257 D CA 0.480 54.702 54.000 0.370 0.000 0.895 257 D CB 0.401 41.464 40.800 0.438 0.000 1.192 257 D HN 0.462 nan 8.370 nan 0.000 0.438 258 Q N 1.507 121.553 119.800 0.409 0.000 2.322 258 Q HA 0.347 4.689 4.340 0.003 0.000 0.265 258 Q C -2.576 173.410 176.000 -0.023 0.000 0.985 258 Q CA -2.095 53.825 55.803 0.195 0.000 0.849 258 Q CB 1.758 30.549 28.738 0.088 0.000 1.274 258 Q HN 0.113 nan 8.270 nan 0.000 0.449 259 P HA -0.024 nan 4.420 nan 0.000 0.271 259 P C -0.302 176.681 177.300 -0.529 0.000 1.216 259 P CA -0.010 62.418 63.100 -1.121 0.000 0.771 259 P CB 1.438 32.442 31.700 -1.160 0.000 0.864 260 V N 2.348 121.986 119.914 -0.460 0.000 3.013 260 V HA 0.273 4.395 4.120 0.003 0.000 0.238 260 V C 0.231 176.267 176.094 -0.097 0.000 1.161 260 V CA 0.975 63.154 62.300 -0.201 0.000 1.170 260 V CB -0.210 31.544 31.823 -0.114 0.000 0.917 260 V HN 0.432 nan 8.190 nan 0.000 0.478 261 F N -0.126 119.596 119.950 -0.380 0.000 2.635 261 F HA 0.774 5.303 4.527 0.003 0.000 0.314 261 F C -0.631 174.911 175.800 -0.431 0.000 1.119 261 F CA -0.503 57.266 58.000 -0.386 0.000 1.000 261 F CB 1.491 40.258 39.000 -0.389 0.000 1.278 261 F HN 0.008 nan 8.300 nan 0.000 0.446 262 A N 1.771 123.905 122.820 -1.143 0.000 2.587 262 A HA 0.742 5.064 4.320 0.003 0.000 0.293 262 A C -1.178 175.787 177.584 -1.033 0.000 1.087 262 A CA -0.330 51.176 52.037 -0.886 0.000 0.692 262 A CB 1.550 20.279 19.000 -0.451 0.000 1.291 262 A HN 0.949 nan 8.150 nan 0.000 0.407 263 T N -0.048 114.200 114.554 -0.510 0.000 3.155 263 T HA 0.535 4.887 4.350 0.003 0.000 0.384 263 T C -2.203 172.420 174.700 -0.128 0.000 1.351 263 T CA -1.363 60.568 62.100 -0.282 0.000 1.198 263 T CB 0.967 69.808 68.868 -0.046 0.000 1.106 263 T HN 0.353 nan 8.240 nan 0.000 0.564 264 P HA 0.059 nan 4.420 nan 0.000 0.237 264 P C 0.619 177.885 177.300 -0.056 0.000 1.178 264 P CA 0.580 63.628 63.100 -0.086 0.000 0.766 264 P CB 0.346 31.988 31.700 -0.097 0.000 0.876 265 E N -0.549 119.620 120.200 -0.052 0.000 2.481 265 E HA 0.194 4.545 4.350 0.003 0.000 0.198 265 E C 0.367 176.950 176.600 -0.028 0.000 1.027 265 E CA 0.015 56.393 56.400 -0.036 0.000 0.900 265 E CB 0.289 29.971 29.700 -0.030 0.000 0.993 265 E HN 0.299 nan 8.360 nan 0.000 0.482 266 L N 2.280 123.491 121.223 -0.019 0.000 2.488 266 L HA 0.243 4.585 4.340 0.003 0.000 0.250 266 L C -1.878 174.994 176.870 0.003 0.000 1.280 266 L CA -1.311 53.527 54.840 -0.003 0.000 0.929 266 L CB 1.291 43.368 42.059 0.031 0.000 1.200 266 L HN -0.114 nan 8.230 nan 0.000 0.495 267 P HA -0.124 nan 4.420 nan 0.000 0.221 267 P C 0.835 178.186 177.300 0.085 0.000 1.150 267 P CA 1.117 64.207 63.100 -0.018 0.000 0.800 267 P CB 0.340 31.923 31.700 -0.196 0.000 0.787 268 K N -0.867 119.562 120.400 0.048 0.000 2.426 268 K HA 0.054 4.376 4.320 0.003 0.000 0.193 268 K C 0.989 177.648 176.600 0.098 0.000 1.028 268 K CA -0.224 56.161 56.287 0.163 0.000 1.047 268 K CB -0.020 32.546 32.500 0.110 0.000 0.821 268 K HN -0.075 nan 8.250 nan 0.000 0.513 269 R N 1.616 122.130 120.500 0.023 0.000 2.401 269 R HA 0.101 4.442 4.340 0.003 0.000 0.299 269 R C -0.171 175.962 176.300 -0.277 0.000 1.064 269 R CA 0.124 56.162 56.100 -0.105 0.000 1.000 269 R CB 0.507 30.755 30.300 -0.087 0.000 0.973 269 R HN 0.154 nan 8.270 nan 0.000 0.438 270 G N 2.834 111.474 108.800 -0.267 0.000 2.412 270 G HA2 0.415 4.377 3.960 0.003 0.000 0.318 270 G HA3 0.415 4.377 3.960 0.003 0.000 0.318 270 G C -1.133 173.515 174.900 -0.420 0.000 1.146 270 G CA -0.321 44.639 45.100 -0.233 0.000 0.882 270 G HN 0.656 nan 8.290 nan 0.000 0.501 271 H N -0.309 118.834 119.070 0.122 0.000 2.877 271 H HA 0.508 5.066 4.556 0.003 0.000 0.347 271 H C -0.096 175.308 175.328 0.127 0.000 1.042 271 H CA -0.539 55.592 56.048 0.138 0.000 1.276 271 H CB 1.844 31.710 29.762 0.174 0.000 1.681 271 H HN 0.811 nan 8.280 nan 0.000 0.521 272 G N 0.759 109.700 108.800 0.236 0.000 2.495 272 G HA2 0.625 4.587 3.960 0.003 0.000 0.318 272 G HA3 0.625 4.587 3.960 0.003 0.000 0.318 272 G C -1.023 173.970 174.900 0.154 0.000 1.257 272 G CA -0.586 44.626 45.100 0.187 0.000 0.962 272 G HN 0.670 nan 8.290 nan 0.000 0.483 273 A N 1.168 124.068 122.820 0.134 0.000 2.342 273 A HA 0.898 5.219 4.320 0.003 0.000 0.323 273 A C 0.024 177.682 177.584 0.123 0.000 1.125 273 A CA -0.508 51.587 52.037 0.097 0.000 0.785 273 A CB 1.640 20.686 19.000 0.076 0.000 1.221 273 A HN 0.820 nan 8.150 nan 0.000 0.463 274 S N -0.309 115.462 115.700 0.118 0.000 2.667 274 S HA 0.785 5.257 4.470 0.003 0.000 0.292 274 S C -0.891 173.810 174.600 0.168 0.000 1.126 274 S CA -0.551 57.764 58.200 0.190 0.000 0.881 274 S CB 1.900 65.305 63.200 0.340 0.000 1.132 274 S HN 0.777 nan 8.310 nan 0.000 0.492 275 V N 1.920 121.985 119.914 0.251 0.000 2.709 275 V HA 0.512 4.634 4.120 0.003 0.000 0.308 275 V C 0.116 176.416 176.094 0.343 0.000 1.062 275 V CA -0.990 61.456 62.300 0.244 0.000 0.901 275 V CB 1.976 33.921 31.823 0.204 0.000 1.003 275 V HN 1.051 nan 8.190 nan 0.000 0.425 276 S N 2.338 118.268 115.700 0.383 0.000 2.573 276 S HA 0.055 4.527 4.470 0.003 0.000 0.277 276 S C 1.463 176.216 174.600 0.255 0.000 1.346 276 S CA 0.183 58.625 58.200 0.404 0.000 1.034 276 S CB 0.975 64.449 63.200 0.457 0.000 0.879 276 S HN 1.222 nan 8.310 nan 0.000 0.528 277 S N 0.579 116.397 115.700 0.196 0.000 2.419 277 S HA -0.172 4.300 4.470 0.003 0.000 0.233 277 S C 1.011 175.692 174.600 0.135 0.000 1.016 277 S CA 0.979 59.265 58.200 0.143 0.000 0.974 277 S CB -0.765 62.494 63.200 0.098 0.000 0.786 277 S HN 0.929 nan 8.310 nan 0.000 0.492 278 D N 0.213 120.701 120.400 0.148 0.000 2.339 278 D HA 0.281 4.922 4.640 0.003 0.000 0.217 278 D C 1.339 177.707 176.300 0.114 0.000 1.050 278 D CA 0.475 54.549 54.000 0.123 0.000 0.856 278 D CB -0.617 40.258 40.800 0.124 0.000 0.922 278 D HN 0.563 nan 8.370 nan 0.000 0.518 279 G N 0.848 109.729 108.800 0.135 0.000 2.159 279 G HA2 -0.382 3.579 3.960 0.003 0.000 0.256 279 G HA3 -0.382 3.579 3.960 0.003 0.000 0.256 279 G C 1.181 176.115 174.900 0.056 0.000 0.977 279 G CA 0.275 45.440 45.100 0.109 0.000 0.652 279 G HN 0.427 nan 8.290 nan 0.000 0.531 280 R N -1.724 118.817 120.500 0.067 0.000 2.161 280 R HA 0.219 4.561 4.340 0.003 0.000 0.213 280 R C 0.272 176.337 176.300 -0.392 0.000 1.055 280 R CA 0.865 56.901 56.100 -0.107 0.000 0.996 280 R CB 0.184 30.493 30.300 0.015 0.000 0.901 280 R HN 0.452 nan 8.270 nan 0.000 0.456 281 W N -0.386 120.944 121.300 0.050 0.000 2.957 281 W HA 0.363 5.025 4.660 0.003 0.000 0.336 281 W C -1.025 175.485 176.519 -0.015 0.000 1.087 281 W CA -0.738 56.610 57.345 0.004 0.000 1.235 281 W CB 1.413 30.867 29.460 -0.010 0.000 1.399 281 W HN -0.366 nan 8.180 nan 0.000 0.480 282 V N 4.063 124.080 119.914 0.172 0.000 2.546 282 V HA 0.486 4.607 4.120 0.003 0.000 0.284 282 V C -0.246 175.854 176.094 0.009 0.000 1.050 282 V CA -0.761 61.582 62.300 0.073 0.000 0.981 282 V CB 1.058 32.897 31.823 0.028 0.000 0.990 282 V HN 0.308 nan 8.190 nan 0.000 0.474 283 V N 6.493 126.331 119.914 -0.127 0.000 2.483 283 V HA 0.510 4.632 4.120 0.003 0.000 0.297 283 V C -0.360 175.655 176.094 -0.132 0.000 1.027 283 V CA -0.385 61.764 62.300 -0.251 0.000 0.855 283 V CB 1.769 33.123 31.823 -0.782 0.000 0.995 283 V HN 0.674 nan 8.190 nan 0.000 0.424 284 I N 3.589 124.096 120.570 -0.106 0.000 2.362 284 I HA 0.434 4.606 4.170 0.003 0.000 0.289 284 I C 0.167 176.312 176.117 0.047 0.000 0.994 284 I CA -0.092 61.172 61.300 -0.060 0.000 1.158 284 I CB 2.053 39.896 38.000 -0.262 0.000 1.315 284 I HN 0.508 nan 8.210 nan 0.000 0.451 285 T N 4.507 119.140 114.554 0.131 0.000 2.795 285 T HA 0.486 4.838 4.350 0.003 0.000 0.282 285 T C -0.313 174.514 174.700 0.213 0.000 0.980 285 T CA -0.512 61.699 62.100 0.185 0.000 1.012 285 T CB 1.150 70.140 68.868 0.205 0.000 0.936 285 T HN 0.524 nan 8.240 nan 0.000 0.457 286 S N 1.991 117.822 115.700 0.218 0.000 2.547 286 S HA 0.814 5.286 4.470 0.003 0.000 0.281 286 S C -0.520 174.147 174.600 0.111 0.000 1.118 286 S CA -0.951 57.362 58.200 0.189 0.000 0.947 286 S CB 1.779 65.198 63.200 0.365 0.000 1.053 286 S HN 0.879 nan 8.310 nan 0.000 0.482 287 S N 1.229 116.950 115.700 0.036 0.000 2.671 287 S HA 0.799 5.271 4.470 0.003 0.000 0.277 287 S C -1.552 173.048 174.600 0.000 0.000 1.165 287 S CA -0.867 57.354 58.200 0.035 0.000 0.822 287 S CB 2.188 65.415 63.200 0.044 0.000 1.150 287 S HN 0.717 nan 8.310 nan 0.000 0.479 288 E N -0.514 119.695 120.200 0.015 0.000 2.287 288 E HA 0.493 4.845 4.350 0.003 0.000 0.274 288 E C -0.145 176.463 176.600 0.014 0.000 0.896 288 E CA -0.181 56.228 56.400 0.014 0.000 0.788 288 E CB 1.125 30.839 29.700 0.024 0.000 1.244 288 E HN 1.758 nan 8.360 nan 0.000 0.408 289 G N 4.005 112.808 108.800 0.005 0.000 2.353 289 G HA2 -0.333 3.629 3.960 0.003 0.000 0.294 289 G HA3 -0.333 3.629 3.960 0.003 0.000 0.294 289 G C 0.678 175.576 174.900 -0.003 0.000 1.077 289 G CA 1.113 46.215 45.100 0.003 0.000 1.098 289 G HN 1.484 nan 8.290 nan 0.000 0.511 290 T N -3.689 110.853 114.554 -0.019 0.000 9.171 290 T HA -0.376 3.976 4.350 0.003 0.000 0.403 290 T C 0.545 175.246 174.700 0.002 0.000 1.560 290 T CA 2.723 64.813 62.100 -0.017 0.000 2.507 290 T CB -1.980 66.875 68.868 -0.022 0.000 2.939 290 T HN 1.364 nan 8.240 nan 0.000 1.240 291 D N 4.507 124.914 120.400 0.012 0.000 2.425 291 D HA 0.402 5.043 4.640 0.003 0.000 0.247 291 D C -1.791 174.524 176.300 0.026 0.000 1.147 291 D CA -0.820 53.193 54.000 0.021 0.000 0.879 291 D CB 0.581 41.397 40.800 0.028 0.000 1.179 291 D HN 0.321 nan 8.370 nan 0.000 0.456 292 P HA 0.049 nan 4.420 nan 0.000 0.218 292 P C -0.881 176.445 177.300 0.043 0.000 1.793 292 P CA -0.204 62.914 63.100 0.031 0.000 0.941 292 P CB -0.200 31.513 31.700 0.021 0.000 1.919 293 V N -0.720 119.229 119.914 0.059 0.000 3.078 293 V HA 0.806 4.927 4.120 0.003 0.000 0.311 293 V C -1.054 175.107 176.094 0.111 0.000 1.138 293 V CA -1.014 61.337 62.300 0.086 0.000 1.007 293 V CB 2.941 34.810 31.823 0.076 0.000 1.045 293 V HN 0.433 nan 8.190 nan 0.000 0.432 294 N N 0.396 119.193 118.700 0.162 0.000 2.710 294 N HA 0.427 5.168 4.740 0.003 0.000 0.257 294 N C -0.695 174.910 175.510 0.158 0.000 1.327 294 N CA 0.059 53.206 53.050 0.162 0.000 0.861 294 N CB 2.231 40.824 38.487 0.176 0.000 1.532 294 N HN 1.017 nan 8.380 nan 0.000 0.499 295 T N -2.083 112.544 114.554 0.122 0.000 2.881 295 T HA 0.681 5.033 4.350 0.003 0.000 0.278 295 T C -0.245 174.475 174.700 0.034 0.000 0.982 295 T CA -0.502 61.628 62.100 0.050 0.000 0.989 295 T CB 1.088 70.031 68.868 0.126 0.000 1.058 295 T HN 0.363 nan 8.240 nan 0.000 0.529 296 V N 1.747 121.579 119.914 -0.137 0.000 2.668 296 V HA 0.437 4.558 4.120 0.003 0.000 0.304 296 V C -1.244 174.668 176.094 -0.304 0.000 1.071 296 V CA -0.902 61.308 62.300 -0.150 0.000 0.894 296 V CB 1.511 33.149 31.823 -0.307 0.000 1.008 296 V HN 1.026 nan 8.190 nan 0.000 0.425 297 H N 2.040 120.976 119.070 -0.224 0.000 2.569 297 H HA 0.839 5.397 4.556 0.003 0.000 0.357 297 H C -0.278 174.903 175.328 -0.245 0.000 1.153 297 H CA -0.602 55.271 56.048 -0.292 0.000 1.193 297 H CB 2.172 31.593 29.762 -0.567 0.000 1.602 297 H HN 0.652 nan 8.280 nan 0.000 0.523 298 V N -0.725 119.150 119.914 -0.064 0.000 2.962 298 V HA 0.998 5.119 4.120 0.003 0.000 0.313 298 V C -0.775 175.401 176.094 0.136 0.000 1.099 298 V CA -0.999 61.313 62.300 0.021 0.000 0.971 298 V CB 1.797 33.601 31.823 -0.031 0.000 1.028 298 V HN 0.978 nan 8.190 nan 0.000 0.430 299 A N 2.818 125.782 122.820 0.241 0.000 2.427 299 A HA 0.777 5.099 4.320 0.003 0.000 0.298 299 A C -0.382 177.218 177.584 0.027 0.000 1.036 299 A CA -0.864 51.259 52.037 0.145 0.000 0.701 299 A CB 1.616 20.625 19.000 0.015 0.000 1.250 299 A HN 1.106 nan 8.150 nan 0.000 0.412 300 R N 1.953 122.275 120.500 -0.296 0.000 2.442 300 R HA 0.435 4.777 4.340 0.003 0.000 0.291 300 R C -1.065 174.943 176.300 -0.487 0.000 1.069 300 R CA 0.018 55.558 56.100 -0.933 0.000 1.022 300 R CB 0.417 30.211 30.300 -0.843 0.000 0.976 300 R HN 0.462 nan 8.270 nan 0.000 0.443 301 V N 4.387 123.999 119.914 -0.503 0.000 2.370 301 V HA 0.295 4.417 4.120 0.003 0.000 0.279 301 V C -0.292 175.659 176.094 -0.240 0.000 1.029 301 V CA -0.409 61.734 62.300 -0.261 0.000 0.870 301 V CB 1.697 33.422 31.823 -0.163 0.000 0.984 301 V HN 0.838 nan 8.190 nan 0.000 0.451 302 T N 4.600 119.058 114.554 -0.160 0.000 2.890 302 T HA 0.382 4.734 4.350 0.003 0.000 0.295 302 T C 0.177 174.834 174.700 -0.071 0.000 0.993 302 T CA -0.500 61.529 62.100 -0.118 0.000 0.979 302 T CB 0.658 69.459 68.868 -0.111 0.000 0.967 302 T HN 0.708 nan 8.240 nan 0.000 0.441 303 N N 2.058 120.728 118.700 -0.050 0.000 2.735 303 N HA -0.225 4.517 4.740 0.003 0.000 0.248 303 N C 1.131 176.630 175.510 -0.018 0.000 1.083 303 N CA 1.475 54.509 53.050 -0.027 0.000 0.703 303 N CB -1.344 37.129 38.487 -0.024 0.000 1.005 303 N HN 1.359 nan 8.380 nan 0.000 0.550 304 G N -1.250 107.540 108.800 -0.017 0.000 2.179 304 G HA2 -0.346 3.616 3.960 0.003 0.000 0.260 304 G HA3 -0.346 3.616 3.960 0.003 0.000 0.260 304 G C -0.045 174.850 174.900 -0.007 0.000 0.977 304 G CA 0.874 45.974 45.100 -0.000 0.000 0.641 304 G HN 0.495 nan 8.290 nan 0.000 0.533 305 K N 0.164 120.547 120.400 -0.028 0.000 2.244 305 K HA 0.607 4.929 4.320 0.003 0.000 0.260 305 K C 0.125 176.693 176.600 -0.053 0.000 0.951 305 K CA -0.860 55.408 56.287 -0.032 0.000 0.826 305 K CB 1.831 34.311 32.500 -0.033 0.000 1.108 305 K HN 0.205 nan 8.250 nan 0.000 0.433 306 I N 2.514 123.058 120.570 -0.044 0.000 2.416 306 I HA 0.083 4.255 4.170 0.003 0.000 0.288 306 I C 1.113 177.193 176.117 -0.061 0.000 1.051 306 I CA -0.077 61.189 61.300 -0.058 0.000 1.375 306 I CB 1.013 38.991 38.000 -0.036 0.000 1.407 306 I HN 0.699 nan 8.210 nan 0.000 0.516 307 G N 6.982 115.732 108.800 -0.083 0.000 2.553 307 G HA2 0.384 4.345 3.960 0.003 0.000 0.278 307 G HA3 0.384 4.345 3.960 0.003 0.000 0.278 307 G C -2.540 172.339 174.900 -0.035 0.000 1.349 307 G CA -0.992 44.069 45.100 -0.065 0.000 1.037 307 G HN 0.367 nan 8.290 nan 0.000 0.508 308 P HA 0.193 nan 4.420 nan 0.000 0.266 308 P C -0.329 176.986 177.300 0.024 0.000 1.195 308 P CA -0.318 62.785 63.100 0.005 0.000 0.768 308 P CB 0.861 32.568 31.700 0.011 0.000 0.838 309 V N 3.832 123.767 119.914 0.035 0.000 2.432 309 V HA 0.295 4.417 4.120 0.003 0.000 0.271 309 V C 0.728 176.874 176.094 0.087 0.000 1.046 309 V CA 0.108 62.428 62.300 0.034 0.000 0.945 309 V CB 0.444 32.271 31.823 0.008 0.000 0.992 309 V HN 0.722 nan 8.190 nan 0.000 0.471 310 T N 2.264 116.863 114.554 0.075 0.000 2.908 310 T HA 0.806 5.157 4.350 0.003 0.000 0.290 310 T C -0.185 174.507 174.700 -0.013 0.000 1.034 310 T CA -0.657 61.483 62.100 0.067 0.000 1.010 310 T CB 1.942 70.825 68.868 0.025 0.000 1.068 310 T HN 0.855 nan 8.240 nan 0.000 0.481 311 A N 2.175 124.933 122.820 -0.102 0.000 2.362 311 A HA 0.579 4.900 4.320 0.003 0.000 0.276 311 A C 0.885 178.262 177.584 -0.345 0.000 1.153 311 A CA -0.785 50.967 52.037 -0.475 0.000 0.813 311 A CB -0.076 18.713 19.000 -0.351 0.000 1.081 311 A HN 1.006 nan 8.150 nan 0.000 0.507 312 L N 2.363 123.337 121.223 -0.415 0.000 2.269 312 L HA 0.263 4.604 4.340 0.003 0.000 0.200 312 L C -0.200 176.452 176.870 -0.363 0.000 1.069 312 L CA 0.720 55.370 54.840 -0.317 0.000 0.804 312 L CB 0.212 42.058 42.059 -0.356 0.000 0.987 312 L HN 0.548 nan 8.230 nan 0.000 0.468 313 I N 1.774 122.044 120.570 -0.500 0.000 2.502 313 I HA 0.215 4.387 4.170 0.003 0.000 0.276 313 I C -1.789 174.109 176.117 -0.366 0.000 1.057 313 I CA -1.821 59.157 61.300 -0.536 0.000 1.163 313 I CB 0.813 38.300 38.000 -0.855 0.000 1.288 313 I HN -0.032 nan 8.210 nan 0.000 0.479 314 P HA 0.049 nan 4.420 nan 0.000 0.231 314 P C -0.033 177.230 177.300 -0.062 0.000 1.168 314 P CA 0.843 63.840 63.100 -0.172 0.000 0.779 314 P CB 0.742 32.367 31.700 -0.125 0.000 0.844 315 D N -0.076 120.284 120.400 -0.066 0.000 2.299 315 D HA 0.300 4.942 4.640 0.003 0.000 0.243 315 D C 0.062 176.373 176.300 0.018 0.000 0.982 315 D CA -0.626 53.368 54.000 -0.010 0.000 0.924 315 D CB 1.874 42.665 40.800 -0.015 0.000 1.238 315 D HN -0.047 nan 8.370 nan 0.000 0.484 316 L N 2.015 123.263 121.223 0.042 0.000 2.302 316 L HA 0.233 4.574 4.340 0.003 0.000 0.285 316 L C 1.336 178.243 176.870 0.061 0.000 1.090 316 L CA 0.210 55.087 54.840 0.063 0.000 0.866 316 L CB 0.317 42.412 42.059 0.060 0.000 1.244 316 L HN 0.232 nan 8.230 nan 0.000 0.435 317 K N 1.691 122.140 120.400 0.083 0.000 2.550 317 K HA 0.428 4.749 4.320 0.003 0.000 0.205 317 K C 0.037 176.688 176.600 0.084 0.000 1.429 317 K CA 0.011 56.343 56.287 0.073 0.000 0.997 317 K CB 1.470 34.011 32.500 0.068 0.000 1.328 317 K HN 0.521 nan 8.250 nan 0.000 0.546 318 A N 1.016 123.921 122.820 0.140 0.000 2.594 318 A HA 0.325 4.646 4.320 0.003 0.000 0.291 318 A C -1.570 176.075 177.584 0.103 0.000 1.105 318 A CA -0.573 51.510 52.037 0.076 0.000 0.694 318 A CB 1.443 20.447 19.000 0.006 0.000 1.291 318 A HN 0.075 nan 8.150 nan 0.000 0.410 319 Q N 0.099 119.880 119.800 -0.032 0.000 2.289 319 Q HA 0.206 4.547 4.340 0.003 0.000 0.273 319 Q C -1.687 174.198 176.000 -0.192 0.000 1.029 319 Q CA 0.665 56.455 55.803 -0.022 0.000 0.896 319 Q CB 0.330 29.043 28.738 -0.041 0.000 1.182 319 Q HN 0.549 nan 8.270 nan 0.000 0.385 320 W N 4.206 125.552 121.300 0.077 0.000 2.533 320 W HA 0.275 4.937 4.660 0.003 0.000 0.291 320 W C -1.206 175.494 176.519 0.302 0.000 1.013 320 W CA -0.721 56.698 57.345 0.123 0.000 1.436 320 W CB 1.218 30.646 29.460 -0.054 0.000 1.291 320 W HN 0.493 nan 8.180 nan 0.000 0.396 321 D N 2.495 123.175 120.400 0.467 0.000 2.274 321 D HA 0.128 4.770 4.640 0.003 0.000 0.239 321 D C -0.436 176.150 176.300 0.477 0.000 1.104 321 D CA -0.484 53.753 54.000 0.395 0.000 0.840 321 D CB 0.981 41.902 40.800 0.201 0.000 1.100 321 D HN 0.052 nan 8.370 nan 0.000 0.477 322 F N 3.350 123.447 119.950 0.246 0.000 2.504 322 F HA 0.055 4.583 4.527 0.003 0.000 0.369 322 F C 0.641 176.381 175.800 -0.100 0.000 1.082 322 F CA -0.252 57.658 58.000 -0.150 0.000 1.216 322 F CB 0.626 39.574 39.000 -0.087 0.000 1.108 322 F HN 0.124 nan 8.300 nan 0.000 0.554 323 V N 3.411 122.935 119.914 -0.650 0.000 2.423 323 V HA 0.140 4.262 4.120 0.003 0.000 0.233 323 V C 0.103 175.659 176.094 -0.897 0.000 1.067 323 V CA 1.150 63.132 62.300 -0.529 0.000 1.073 323 V CB -0.318 31.375 31.823 -0.217 0.000 0.715 323 V HN 0.810 nan 8.190 nan 0.000 0.485 324 D N -2.622 117.246 120.400 -0.887 0.000 2.738 324 D HA 0.489 5.130 4.640 0.003 0.000 0.308 324 D C -0.806 175.488 176.300 -0.010 0.000 1.311 324 D CA 0.418 54.041 54.000 -0.628 0.000 0.799 324 D CB 1.665 42.317 40.800 -0.247 0.000 1.332 324 D HN 0.366 nan 8.370 nan 0.000 0.441 325 G N -0.463 108.499 108.800 0.271 0.000 2.519 325 G HA2 0.610 4.571 3.960 0.003 0.000 0.307 325 G HA3 0.610 4.571 3.960 0.003 0.000 0.307 325 G C -1.396 173.733 174.900 0.381 0.000 1.266 325 G CA -0.477 44.878 45.100 0.426 0.000 0.970 325 G HN 0.299 nan 8.290 nan 0.000 0.481 326 V N 1.616 121.813 119.914 0.472 0.000 2.482 326 V HA 0.755 4.876 4.120 0.003 0.000 0.295 326 V C 0.998 177.273 176.094 0.301 0.000 1.026 326 V CA 0.650 63.152 62.300 0.337 0.000 0.856 326 V CB 0.518 32.526 31.823 0.307 0.000 1.001 326 V HN 1.891 nan 8.190 nan 0.000 0.424 327 G N 4.893 113.845 108.800 0.253 0.000 2.561 327 G HA2 -0.240 3.722 3.960 0.003 0.000 0.289 327 G HA3 -0.240 3.722 3.960 0.003 0.000 0.289 327 G C 0.152 175.248 174.900 0.326 0.000 1.169 327 G CA 0.581 45.820 45.100 0.231 0.000 0.980 327 G HN 0.640 nan 8.290 nan 0.000 0.550 328 D N 2.131 122.683 120.400 0.253 0.000 2.525 328 D HA 0.278 4.919 4.640 0.003 0.000 0.229 328 D C 0.712 176.971 176.300 -0.068 0.000 1.202 328 D CA 0.388 54.555 54.000 0.278 0.000 0.828 328 D CB 0.438 41.402 40.800 0.273 0.000 1.008 328 D HN 0.482 nan 8.370 nan 0.000 0.493 329 Q N 0.444 120.191 119.800 -0.089 0.000 2.337 329 Q HA 0.583 4.925 4.340 0.003 0.000 0.266 329 Q C -0.489 175.287 176.000 -0.373 0.000 1.023 329 Q CA -0.531 55.053 55.803 -0.365 0.000 0.829 329 Q CB 2.778 31.241 28.738 -0.458 0.000 1.306 329 Q HN 0.046 nan 8.270 nan 0.000 0.449 330 L N 1.202 122.127 121.223 -0.497 0.000 2.354 330 L HA 0.586 4.928 4.340 0.003 0.000 0.269 330 L C -0.816 175.853 176.870 -0.336 0.000 1.005 330 L CA -0.860 53.865 54.840 -0.192 0.000 0.819 330 L CB 1.750 43.755 42.059 -0.090 0.000 1.311 330 L HN 0.466 nan 8.230 nan 0.000 0.423 331 W N 1.636 122.870 121.300 -0.110 0.000 2.666 331 W HA 0.556 5.217 4.660 0.003 0.000 0.334 331 W C -1.091 175.292 176.519 -0.227 0.000 1.051 331 W CA -0.463 56.849 57.345 -0.054 0.000 1.224 331 W CB 2.142 31.552 29.460 -0.083 0.000 1.405 331 W HN 0.228 nan 8.180 nan 0.000 0.513 332 F N 0.504 120.659 119.950 0.342 0.000 2.588 332 F HA 0.413 4.941 4.527 0.003 0.000 0.314 332 F C 0.052 175.956 175.800 0.174 0.000 1.069 332 F CA -1.106 57.084 58.000 0.318 0.000 0.931 332 F CB 1.340 40.647 39.000 0.511 0.000 1.260 332 F HN -0.245 nan 8.300 nan 0.000 0.465 333 V N 1.937 122.015 119.914 0.274 0.000 2.385 333 V HA 0.396 4.518 4.120 0.003 0.000 0.269 333 V C -0.124 175.953 176.094 -0.029 0.000 1.043 333 V CA -0.245 62.105 62.300 0.084 0.000 0.906 333 V CB 1.021 32.864 31.823 0.033 0.000 0.995 333 V HN 0.728 nan 8.190 nan 0.000 0.467 334 S N 3.400 118.961 115.700 -0.232 0.000 2.472 334 S HA 0.637 5.109 4.470 0.003 0.000 0.303 334 S C 0.938 175.268 174.600 -0.451 0.000 1.099 334 S CA 0.044 57.851 58.200 -0.655 0.000 1.077 334 S CB 1.673 64.165 63.200 -1.180 0.000 1.031 334 S HN 0.915 nan 8.310 nan 0.000 0.487 335 G N 2.100 110.615 108.800 -0.474 0.000 3.088 335 G HA2 0.117 4.078 3.960 0.003 0.000 0.217 335 G HA3 0.117 4.078 3.960 0.003 0.000 0.217 335 G C 0.008 174.760 174.900 -0.247 0.000 1.159 335 G CA -0.281 44.659 45.100 -0.268 0.000 0.760 335 G HN 0.706 nan 8.290 nan 0.000 0.550 336 D N 0.589 120.766 120.400 -0.372 0.000 2.342 336 D HA 0.383 5.024 4.640 0.003 0.000 0.260 336 D C 1.472 177.703 176.300 -0.115 0.000 1.278 336 D CA 0.869 54.754 54.000 -0.192 0.000 0.910 336 D CB 0.068 40.786 40.800 -0.138 0.000 1.079 336 D HN 0.204 nan 8.370 nan 0.000 0.496 337 G N 3.042 111.803 108.800 -0.065 0.000 2.168 337 G HA2 -0.068 3.894 3.960 0.003 0.000 0.257 337 G HA3 -0.068 3.894 3.960 0.003 0.000 0.257 337 G C 0.263 175.137 174.900 -0.044 0.000 0.997 337 G CA 0.235 45.310 45.100 -0.042 0.000 0.708 337 G HN 1.117 nan 8.290 nan 0.000 0.520 338 A N -0.601 122.183 122.820 -0.060 0.000 2.876 338 A HA 0.777 5.099 4.320 0.003 0.000 0.309 338 A C -1.067 176.493 177.584 -0.040 0.000 1.168 338 A CA -0.250 51.758 52.037 -0.048 0.000 0.762 338 A CB 1.133 20.092 19.000 -0.068 0.000 1.262 338 A HN -0.005 nan 8.150 nan 0.000 0.435 339 P HA -0.137 nan 4.420 nan 0.000 0.218 339 P C 1.054 178.358 177.300 0.007 0.000 1.148 339 P CA 1.059 64.158 63.100 -0.002 0.000 0.822 339 P CB 0.228 31.937 31.700 0.015 0.000 0.784 340 L N -2.600 118.636 121.223 0.021 0.000 2.592 340 L HA 0.120 4.462 4.340 0.003 0.000 0.227 340 L C -0.048 176.846 176.870 0.040 0.000 1.127 340 L CA 0.034 54.901 54.840 0.046 0.000 0.884 340 L CB -0.374 41.731 42.059 0.077 0.000 1.065 340 L HN -0.026 nan 8.230 nan 0.000 0.457 341 K N 1.386 121.783 120.400 -0.004 0.000 4.264 341 K HA -0.134 4.188 4.320 0.003 0.000 0.718 341 K C -0.636 175.951 176.600 -0.021 0.000 2.569 341 K CA 0.634 56.895 56.287 -0.044 0.000 1.807 341 K CB -0.605 31.861 32.500 -0.056 0.000 2.662 341 K HN 0.368 nan 8.250 nan 0.000 0.202 342 K N 0.046 120.408 120.400 -0.062 0.000 2.522 342 K HA 0.703 5.025 4.320 0.003 0.000 0.275 342 K C -0.653 175.919 176.600 -0.046 0.000 1.006 342 K CA -1.109 55.153 56.287 -0.042 0.000 0.890 342 K CB 1.665 34.136 32.500 -0.049 0.000 1.475 342 K HN 0.429 nan 8.250 nan 0.000 0.441 343 I N 2.005 122.562 120.570 -0.022 0.000 2.339 343 I HA 0.284 4.456 4.170 0.003 0.000 0.290 343 I C -0.837 175.342 176.117 0.103 0.000 0.994 343 I CA -1.244 60.083 61.300 0.044 0.000 1.191 343 I CB 1.880 39.883 38.000 0.005 0.000 1.343 343 I HN 0.275 nan 8.210 nan 0.000 0.458 344 V N 6.848 126.879 119.914 0.195 0.000 2.459 344 V HA 0.425 4.547 4.120 0.003 0.000 0.295 344 V C 0.080 176.299 176.094 0.208 0.000 1.029 344 V CA -0.744 61.701 62.300 0.242 0.000 0.874 344 V CB 1.930 33.986 31.823 0.389 0.000 0.985 344 V HN 0.673 nan 8.190 nan 0.000 0.438 345 R N 3.508 124.004 120.500 -0.008 0.000 2.229 345 R HA 0.656 4.997 4.340 0.003 0.000 0.328 345 R C -1.441 174.668 176.300 -0.319 0.000 1.009 345 R CA -0.350 55.499 56.100 -0.419 0.000 0.864 345 R CB 1.478 31.453 30.300 -0.541 0.000 1.085 345 R HN 0.557 nan 8.270 nan 0.000 0.453 346 V N 4.645 124.328 119.914 -0.386 0.000 2.370 346 V HA 0.155 4.276 4.120 0.003 0.000 0.283 346 V C -0.147 175.635 176.094 -0.520 0.000 1.023 346 V CA -0.662 61.324 62.300 -0.524 0.000 0.857 346 V CB 1.435 32.933 31.823 -0.541 0.000 0.985 346 V HN 0.738 nan 8.190 nan 0.000 0.443 347 D N 4.553 124.678 120.400 -0.458 0.000 2.274 347 D HA 0.354 4.996 4.640 0.003 0.000 0.239 347 D C 0.212 176.316 176.300 -0.327 0.000 1.104 347 D CA -0.247 53.546 54.000 -0.345 0.000 0.840 347 D CB 1.832 42.492 40.800 -0.234 0.000 1.100 347 D HN 0.468 nan 8.370 nan 0.000 0.477 348 L N 3.017 124.053 121.223 -0.311 0.000 2.818 348 L HA 0.039 4.381 4.340 0.003 0.000 0.243 348 L C 2.065 178.914 176.870 -0.035 0.000 1.185 348 L CA -0.121 54.568 54.840 -0.253 0.000 0.988 348 L CB 0.210 41.948 42.059 -0.536 0.000 1.292 348 L HN 0.307 nan 8.230 nan 0.000 0.519 349 S N -0.984 114.704 115.700 -0.021 0.000 2.461 349 S HA 0.047 4.519 4.470 0.003 0.000 0.228 349 S C 1.201 175.813 174.600 0.020 0.000 1.005 349 S CA 0.327 58.550 58.200 0.040 0.000 0.942 349 S CB -0.245 62.973 63.200 0.030 0.000 0.776 349 S HN 0.315 nan 8.310 nan 0.000 0.514 350 G N 1.114 109.905 108.800 -0.015 0.000 2.557 350 G HA2 0.423 4.385 3.960 0.003 0.000 0.292 350 G HA3 0.423 4.385 3.960 0.003 0.000 0.292 350 G C 0.885 175.780 174.900 -0.007 0.000 1.237 350 G CA -0.052 45.040 45.100 -0.014 0.000 0.978 350 G HN 0.369 nan 8.290 nan 0.000 0.498 351 S N -1.451 114.246 115.700 -0.006 0.000 2.402 351 S HA 0.003 4.475 4.470 0.003 0.000 0.229 351 S C 0.951 175.543 174.600 -0.013 0.000 1.021 351 S CA 1.154 59.353 58.200 -0.002 0.000 0.974 351 S CB -0.182 63.018 63.200 -0.001 0.000 0.800 351 S HN 0.523 nan 8.310 nan 0.000 0.484 352 T N 3.271 117.809 114.554 -0.027 0.000 2.841 352 T HA 0.588 4.940 4.350 0.003 0.000 0.283 352 T C -2.997 171.655 174.700 -0.080 0.000 1.000 352 T CA -1.584 60.494 62.100 -0.037 0.000 0.977 352 T CB 1.572 70.429 68.868 -0.019 0.000 0.979 352 T HN -0.010 nan 8.240 nan 0.000 0.446 353 P HA 0.197 nan 4.420 nan 0.000 0.265 353 P C -0.429 176.727 177.300 -0.240 0.000 1.193 353 P CA -0.275 62.664 63.100 -0.269 0.000 0.765 353 P CB 0.546 32.034 31.700 -0.354 0.000 0.823 354 R N 2.985 123.292 120.500 -0.323 0.000 2.387 354 R HA 0.472 4.813 4.340 0.003 0.000 0.314 354 R C -1.109 174.987 176.300 -0.340 0.000 0.958 354 R CA -0.571 55.412 56.100 -0.196 0.000 0.846 354 R CB 0.416 30.640 30.300 -0.127 0.000 1.147 354 R HN 0.266 nan 8.270 nan 0.000 0.447 355 F N 2.571 122.474 119.950 -0.078 0.000 2.420 355 F HA 0.364 4.893 4.527 0.003 0.000 0.342 355 F C -0.005 175.779 175.800 -0.026 0.000 1.113 355 F CA -0.383 57.586 58.000 -0.050 0.000 1.059 355 F CB 1.688 40.676 39.000 -0.020 0.000 1.128 355 F HN 0.304 nan 8.300 nan 0.000 0.475 356 D N 1.749 122.214 120.400 0.109 0.000 2.696 356 D HA 0.154 4.795 4.640 0.003 0.000 0.251 356 D C -0.761 175.592 176.300 0.088 0.000 1.188 356 D CA -0.418 53.626 54.000 0.072 0.000 0.876 356 D CB 2.220 43.028 40.800 0.013 0.000 1.334 356 D HN 0.323 nan 8.370 nan 0.000 0.540 357 T N 1.191 115.795 114.554 0.084 0.000 2.743 357 T HA 0.147 4.499 4.350 0.003 0.000 0.290 357 T C 1.803 176.527 174.700 0.040 0.000 0.908 357 T CA -0.354 61.785 62.100 0.065 0.000 1.092 357 T CB 0.606 69.500 68.868 0.043 0.000 0.882 357 T HN 0.272 nan 8.240 nan 0.000 0.531 358 V N 2.244 122.184 119.914 0.044 0.000 3.174 358 V HA 0.275 4.396 4.120 0.003 0.000 0.254 358 V C 0.554 176.606 176.094 -0.070 0.000 1.120 358 V CA 0.262 62.579 62.300 0.029 0.000 1.114 358 V CB -0.028 31.863 31.823 0.112 0.000 0.756 358 V HN 0.499 nan 8.190 nan 0.000 0.467 359 V N 3.619 123.460 119.914 -0.122 0.000 2.447 359 V HA 0.488 4.609 4.120 0.003 0.000 0.292 359 V C -2.556 173.480 176.094 -0.096 0.000 1.021 359 V CA -1.551 60.606 62.300 -0.238 0.000 0.850 359 V CB 1.832 33.330 31.823 -0.542 0.000 1.005 359 V HN 0.247 nan 8.190 nan 0.000 0.426 360 P HA 0.185 nan 4.420 nan 0.000 0.276 360 P C -0.126 177.182 177.300 0.014 0.000 1.252 360 P CA -0.418 62.676 63.100 -0.010 0.000 0.802 360 P CB 0.956 32.656 31.700 -0.000 0.000 1.035 361 E N 0.478 120.689 120.200 0.018 0.000 2.529 361 E HA 0.059 4.411 4.350 0.003 0.000 0.259 361 E C 0.282 176.911 176.600 0.050 0.000 0.966 361 E CA 0.094 56.520 56.400 0.042 0.000 0.937 361 E CB 0.343 30.055 29.700 0.020 0.000 0.923 361 E HN 0.475 nan 8.360 nan 0.000 0.468 362 S N 4.062 119.811 115.700 0.081 0.000 2.718 362 S HA 0.285 4.757 4.470 0.003 0.000 0.292 362 S C 0.828 175.453 174.600 0.040 0.000 1.125 362 S CA -0.689 57.528 58.200 0.029 0.000 1.013 362 S CB 1.264 64.423 63.200 -0.069 0.000 1.192 362 S HN 0.509 nan 8.310 nan 0.000 0.535 363 K N 0.462 120.875 120.400 0.021 0.000 2.365 363 K HA 0.144 4.465 4.320 0.003 0.000 0.199 363 K C -0.437 176.207 176.600 0.074 0.000 1.045 363 K CA 0.661 56.972 56.287 0.040 0.000 0.962 363 K CB -0.479 32.038 32.500 0.028 0.000 0.759 363 K HN 0.577 nan 8.250 nan 0.000 0.469 364 D N 0.979 121.430 120.400 0.085 0.000 2.198 364 D HA 0.061 4.702 4.640 0.003 0.000 0.247 364 D C -0.292 176.165 176.300 0.262 0.000 1.010 364 D CA -0.586 53.510 54.000 0.160 0.000 0.880 364 D CB 0.909 41.810 40.800 0.170 0.000 1.209 364 D HN -0.160 nan 8.370 nan 0.000 0.451 365 N N 1.193 120.019 118.700 0.210 0.000 2.468 365 N HA 0.052 4.794 4.740 0.003 0.000 0.265 365 N C -1.029 174.604 175.510 0.206 0.000 1.199 365 N CA -0.302 52.850 53.050 0.170 0.000 0.928 365 N CB 0.292 38.831 38.487 0.087 0.000 1.059 365 N HN 0.231 nan 8.380 nan 0.000 0.467 366 L N 3.302 124.583 121.223 0.096 0.000 2.261 366 L HA 0.267 4.609 4.340 0.003 0.000 0.289 366 L C 1.185 177.984 176.870 -0.118 0.000 1.059 366 L CA 0.295 55.026 54.840 -0.182 0.000 0.816 366 L CB 0.656 42.557 42.059 -0.262 0.000 1.191 366 L HN 0.726 nan 8.230 nan 0.000 0.431 367 E N 2.336 122.464 120.200 -0.119 0.000 2.102 367 E HA 0.078 4.430 4.350 0.003 0.000 0.190 367 E C -0.243 176.322 176.600 -0.059 0.000 0.971 367 E CA 0.781 57.147 56.400 -0.056 0.000 0.821 367 E CB 0.387 30.073 29.700 -0.023 0.000 0.777 367 E HN 0.768 nan 8.360 nan 0.000 0.460 368 S N -1.376 114.273 115.700 -0.086 0.000 2.578 368 S HA 0.523 4.995 4.470 0.003 0.000 0.272 368 S C -1.183 173.380 174.600 -0.062 0.000 1.145 368 S CA -1.091 57.079 58.200 -0.051 0.000 0.835 368 S CB 2.074 65.263 63.200 -0.018 0.000 1.104 368 S HN -0.057 nan 8.310 nan 0.000 0.458 369 V N 0.650 120.543 119.914 -0.036 0.000 2.888 369 V HA 0.911 5.032 4.120 0.003 0.000 0.309 369 V C 0.468 176.553 176.094 -0.014 0.000 1.114 369 V CA 0.180 62.467 62.300 -0.022 0.000 0.940 369 V CB 1.947 33.747 31.823 -0.038 0.000 1.021 369 V HN 1.448 nan 8.190 nan 0.000 0.426 370 G N 2.852 111.666 108.800 0.024 0.000 2.642 370 G HA2 0.818 4.779 3.960 0.003 0.000 0.293 370 G HA3 0.818 4.779 3.960 0.003 0.000 0.293 370 G C -1.577 173.339 174.900 0.027 0.000 1.341 370 G CA -0.660 44.443 45.100 0.005 0.000 0.916 370 G HN 0.577 nan 8.290 nan 0.000 0.474 371 I N 0.746 121.293 120.570 -0.038 0.000 2.404 371 I HA 0.657 4.829 4.170 0.003 0.000 0.293 371 I C 0.136 176.269 176.117 0.027 0.000 0.992 371 I CA -0.644 60.620 61.300 -0.060 0.000 1.149 371 I CB 2.027 39.885 38.000 -0.238 0.000 1.315 371 I HN 0.656 nan 8.210 nan 0.000 0.446 372 A N 4.197 127.096 122.820 0.132 0.000 2.547 372 A HA 0.805 5.126 4.320 0.003 0.000 0.297 372 A C 0.099 177.757 177.584 0.123 0.000 1.056 372 A CA 0.122 52.217 52.037 0.097 0.000 0.688 372 A CB 1.294 20.305 19.000 0.018 0.000 1.282 372 A HN 1.087 nan 8.150 nan 0.000 0.400 373 G N 1.740 110.560 108.800 0.033 0.000 2.565 373 G HA2 -0.276 3.686 3.960 0.003 0.000 0.295 373 G HA3 -0.276 3.686 3.960 0.003 0.000 0.295 373 G C 0.171 175.069 174.900 -0.005 0.000 1.165 373 G CA 0.623 45.732 45.100 0.015 0.000 0.977 373 G HN 1.218 nan 8.290 nan 0.000 0.546 374 N N 1.842 120.534 118.700 -0.012 0.000 2.351 374 N HA 0.316 5.058 4.740 0.003 0.000 0.254 374 N C 0.392 175.832 175.510 -0.117 0.000 1.241 374 N CA 0.211 53.226 53.050 -0.058 0.000 0.883 374 N CB 0.806 39.271 38.487 -0.036 0.000 1.202 374 N HN 0.539 nan 8.380 nan 0.000 0.512 375 R N -0.231 120.185 120.500 -0.141 0.000 2.771 375 R HA 0.519 4.860 4.340 0.003 0.000 0.274 375 R C -0.717 175.343 176.300 -0.399 0.000 0.987 375 R CA -0.714 55.202 56.100 -0.307 0.000 0.908 375 R CB 2.083 32.110 30.300 -0.454 0.000 1.213 375 R HN -0.047 nan 8.270 nan 0.000 0.468 376 L N 2.176 123.127 121.223 -0.453 0.000 2.312 376 L HA 0.445 4.787 4.340 0.003 0.000 0.281 376 L C -0.916 175.629 176.870 -0.541 0.000 1.070 376 L CA -0.183 54.450 54.840 -0.346 0.000 0.805 376 L CB 0.525 42.477 42.059 -0.178 0.000 1.174 376 L HN 0.391 nan 8.230 nan 0.000 0.434 377 F N 2.106 122.063 119.950 0.012 0.000 2.427 377 F HA 0.589 5.117 4.527 0.003 0.000 0.348 377 F C 0.275 176.103 175.800 0.046 0.000 1.125 377 F CA -0.594 57.427 58.000 0.035 0.000 0.989 377 F CB 1.667 40.657 39.000 -0.017 0.000 1.165 377 F HN 0.392 nan 8.300 nan 0.000 0.442 378 A N 2.216 125.168 122.820 0.221 0.000 2.291 378 A HA 0.663 4.984 4.320 0.003 0.000 0.311 378 A C -0.488 177.105 177.584 0.015 0.000 1.224 378 A CA -0.587 51.493 52.037 0.071 0.000 0.821 378 A CB 0.553 19.648 19.000 0.158 0.000 1.172 378 A HN 0.565 nan 8.150 nan 0.000 0.494 379 S N 2.221 117.875 115.700 -0.077 0.000 2.411 379 S HA 0.491 4.962 4.470 0.003 0.000 0.294 379 S C -0.868 173.662 174.600 -0.116 0.000 1.115 379 S CA 0.079 58.272 58.200 -0.011 0.000 1.071 379 S CB -0.246 62.970 63.200 0.027 0.000 0.967 379 S HN 0.542 nan 8.310 nan 0.000 0.488 380 Y N 1.741 122.105 120.300 0.106 0.000 2.496 380 Y HA 0.489 5.041 4.550 0.003 0.000 0.331 380 Y C 0.349 176.315 175.900 0.110 0.000 1.140 380 Y CA -1.295 56.867 58.100 0.104 0.000 1.166 380 Y CB 0.767 39.298 38.460 0.118 0.000 1.249 380 Y HN 0.385 nan 8.280 nan 0.000 0.479 381 I N 2.422 123.158 120.570 0.278 0.000 2.291 381 I HA 0.104 4.275 4.170 0.003 0.000 0.290 381 I C -0.642 175.597 176.117 0.203 0.000 1.050 381 I CA -0.416 60.993 61.300 0.182 0.000 1.245 381 I CB -0.175 37.872 38.000 0.078 0.000 1.405 381 I HN 0.602 nan 8.210 nan 0.000 0.478 382 H N 6.130 125.263 119.070 0.106 0.000 2.638 382 H HA 0.268 4.826 4.556 0.003 0.000 0.303 382 H C -0.408 174.973 175.328 0.088 0.000 1.034 382 H CA -0.182 55.917 56.048 0.085 0.000 1.225 382 H CB 0.508 30.330 29.762 0.099 0.000 1.394 382 H HN 0.493 nan 8.280 nan 0.000 0.477 383 D N 5.031 125.286 120.400 -0.242 0.000 2.735 383 D HA -0.249 4.393 4.640 0.003 0.000 0.235 383 D C 0.517 176.769 176.300 -0.081 0.000 1.175 383 D CA 1.132 55.058 54.000 -0.125 0.000 0.683 383 D CB -1.211 39.644 40.800 0.092 0.000 1.008 383 D HN 1.014 nan 8.370 nan 0.000 0.416 384 A N -0.588 122.119 122.820 -0.188 0.000 2.887 384 A HA -0.292 4.029 4.320 0.003 0.000 0.257 384 A C 0.655 178.388 177.584 0.248 0.000 1.372 384 A CA 2.322 54.335 52.037 -0.040 0.000 0.879 384 A CB -1.653 17.279 19.000 -0.113 0.000 1.082 384 A HN 0.794 nan 8.150 nan 0.000 0.703 385 K N -2.008 118.527 120.400 0.225 0.000 2.533 385 K HA 0.746 5.068 4.320 0.003 0.000 0.284 385 K C -0.547 176.181 176.600 0.213 0.000 1.025 385 K CA -0.325 56.115 56.287 0.256 0.000 0.900 385 K CB 0.881 33.594 32.500 0.355 0.000 1.519 385 K HN 0.243 nan 8.250 nan 0.000 0.432 386 S N 0.580 116.396 115.700 0.193 0.000 2.545 386 S HA 0.122 4.594 4.470 0.003 0.000 0.275 386 S C -0.883 173.856 174.600 0.232 0.000 1.299 386 S CA -0.540 57.780 58.200 0.200 0.000 1.048 386 S CB 0.720 64.023 63.200 0.172 0.000 0.938 386 S HN 0.480 nan 8.310 nan 0.000 0.496 387 Q N 2.518 122.460 119.800 0.236 0.000 2.310 387 Q HA 0.506 4.848 4.340 0.003 0.000 0.270 387 Q C -1.837 174.294 176.000 0.218 0.000 1.025 387 Q CA -0.578 55.334 55.803 0.182 0.000 0.772 387 Q CB 1.209 29.992 28.738 0.076 0.000 1.253 387 Q HN 0.478 nan 8.270 nan 0.000 0.450 388 V N 6.012 126.030 119.914 0.173 0.000 2.328 388 V HA 0.362 4.483 4.120 0.003 0.000 0.278 388 V C -0.148 176.045 176.094 0.165 0.000 1.021 388 V CA -0.509 61.907 62.300 0.195 0.000 0.838 388 V CB 0.920 32.843 31.823 0.168 0.000 0.999 388 V HN 0.746 nan 8.190 nan 0.000 0.447 389 L N 4.188 125.531 121.223 0.200 0.000 2.325 389 L HA 0.816 5.158 4.340 0.003 0.000 0.279 389 L C 0.496 177.261 176.870 -0.176 0.000 1.054 389 L CA -0.386 54.443 54.840 -0.018 0.000 0.804 389 L CB 1.614 43.668 42.059 -0.007 0.000 1.200 389 L HN 0.683 nan 8.230 nan 0.000 0.436 390 A N 2.894 125.434 122.820 -0.468 0.000 2.312 390 A HA 0.868 5.189 4.320 0.003 0.000 0.326 390 A C -1.131 175.914 177.584 -0.898 0.000 1.172 390 A CA -0.263 51.396 52.037 -0.630 0.000 0.821 390 A CB 0.620 19.355 19.000 -0.441 0.000 1.166 390 A HN 0.507 nan 8.150 nan 0.000 0.493 391 F N 0.323 120.059 119.950 -0.358 0.000 2.601 391 F HA 0.326 4.855 4.527 0.003 0.000 0.309 391 F C -0.126 175.525 175.800 -0.248 0.000 1.089 391 F CA -0.777 57.094 58.000 -0.214 0.000 0.940 391 F CB 1.664 40.584 39.000 -0.133 0.000 1.273 391 F HN 0.502 nan 8.300 nan 0.000 0.450 392 D N 1.414 121.832 120.400 0.030 0.000 2.364 392 D HA 0.089 4.731 4.640 0.003 0.000 0.236 392 D C 1.445 177.744 176.300 -0.002 0.000 1.221 392 D CA 0.162 54.155 54.000 -0.012 0.000 0.891 392 D CB 0.829 41.643 40.800 0.023 0.000 1.190 392 D HN 0.489 nan 8.370 nan 0.000 0.449 393 L N 0.635 121.828 121.223 -0.050 0.000 2.265 393 L HA -0.178 4.163 4.340 0.003 0.000 0.215 393 L C 1.651 178.684 176.870 0.271 0.000 1.117 393 L CA 1.058 55.866 54.840 -0.054 0.000 0.782 393 L CB -0.368 41.628 42.059 -0.105 0.000 0.914 393 L HN 0.424 nan 8.230 nan 0.000 0.441 394 D N -0.879 119.638 120.400 0.195 0.000 2.339 394 D HA 0.033 4.675 4.640 0.003 0.000 0.217 394 D C 1.410 177.793 176.300 0.139 0.000 1.050 394 D CA 0.836 54.950 54.000 0.190 0.000 0.856 394 D CB 0.514 41.393 40.800 0.131 0.000 0.922 394 D HN 0.252 nan 8.370 nan 0.000 0.518 395 G N 0.643 109.517 108.800 0.124 0.000 2.195 395 G HA2 -0.276 3.686 3.960 0.003 0.000 0.224 395 G HA3 -0.276 3.686 3.960 0.003 0.000 0.224 395 G C 0.181 175.196 174.900 0.193 0.000 0.990 395 G CA 0.001 45.147 45.100 0.077 0.000 0.639 395 G HN 0.545 nan 8.290 nan 0.000 0.514 396 K N 1.869 122.369 120.400 0.167 0.000 2.412 396 K HA 0.384 4.706 4.320 0.003 0.000 0.284 396 K C -2.123 174.593 176.600 0.195 0.000 1.046 396 K CA -1.405 54.973 56.287 0.151 0.000 0.999 396 K CB 0.540 33.088 32.500 0.080 0.000 0.941 396 K HN 0.044 nan 8.250 nan 0.000 0.474 397 P HA -0.080 nan 4.420 nan 0.000 0.265 397 P C -1.008 176.210 177.300 -0.136 0.000 1.187 397 P CA 0.304 63.387 63.100 -0.028 0.000 0.766 397 P CB 0.939 32.634 31.700 -0.008 0.000 0.820 398 A N 2.678 125.320 122.820 -0.297 0.000 2.594 398 A HA 0.604 4.926 4.320 0.003 0.000 0.292 398 A C 0.697 178.150 177.584 -0.219 0.000 1.026 398 A CA 0.278 52.190 52.037 -0.209 0.000 0.983 398 A CB -0.593 18.290 19.000 -0.195 0.000 1.233 398 A HN 0.774 nan 8.150 nan 0.000 0.519 399 G N -0.617 108.033 108.800 -0.249 0.000 2.725 399 G HA2 0.395 4.357 3.960 0.003 0.000 0.220 399 G HA3 0.395 4.357 3.960 0.003 0.000 0.220 399 G C 0.118 174.902 174.900 -0.193 0.000 1.357 399 G CA -0.369 44.621 45.100 -0.182 0.000 0.866 399 G HN 1.832 nan 8.290 nan 0.000 0.548 400 A N -1.047 121.706 122.820 -0.112 0.000 2.303 400 A HA 0.780 5.102 4.320 0.003 0.000 0.317 400 A C 0.515 178.092 177.584 -0.012 0.000 1.149 400 A CA 0.128 52.126 52.037 -0.065 0.000 0.822 400 A CB 1.406 20.375 19.000 -0.052 0.000 1.131 400 A HN 1.919 nan 8.150 nan 0.000 0.493 401 V N 2.595 122.531 119.914 0.037 0.000 2.572 401 V HA 0.185 4.306 4.120 0.003 0.000 0.291 401 V C 1.024 177.120 176.094 0.004 0.000 1.039 401 V CA 0.333 62.658 62.300 0.042 0.000 1.055 401 V CB 0.795 32.657 31.823 0.064 0.000 0.969 401 V HN 1.001 nan 8.190 nan 0.000 0.482 402 S N 6.988 122.677 115.700 -0.019 0.000 2.488 402 S HA 0.516 4.987 4.470 0.003 0.000 0.278 402 S C -0.594 173.958 174.600 -0.079 0.000 1.259 402 S CA -0.579 57.600 58.200 -0.035 0.000 1.061 402 S CB 0.114 63.292 63.200 -0.036 0.000 0.910 402 S HN 0.487 nan 8.310 nan 0.000 0.491 403 L N 3.428 124.593 121.223 -0.096 0.000 2.322 403 L HA 0.446 4.787 4.340 0.003 0.000 0.269 403 L C -1.357 175.356 176.870 -0.261 0.000 1.012 403 L CA -2.543 52.153 54.840 -0.239 0.000 0.815 403 L CB 1.317 43.261 42.059 -0.191 0.000 1.295 403 L HN 0.400 nan 8.230 nan 0.000 0.438 404 P HA 0.015 nan 4.420 nan 0.000 0.220 404 P C 0.311 177.570 177.300 -0.070 0.000 1.148 404 P CA 0.588 63.541 63.100 -0.244 0.000 0.803 404 P CB 0.300 31.819 31.700 -0.303 0.000 0.782 405 G N -1.793 106.995 108.800 -0.020 0.000 2.341 405 G HA2 0.329 4.290 3.960 0.003 0.000 0.299 405 G HA3 0.329 4.290 3.960 0.003 0.000 0.299 405 G C -1.506 173.567 174.900 0.288 0.000 1.274 405 G CA -0.874 44.323 45.100 0.160 0.000 0.853 405 G HN -0.030 nan 8.290 nan 0.000 0.493 406 I N 1.486 122.227 120.570 0.285 0.000 2.683 406 I HA 0.442 4.614 4.170 0.003 0.000 0.286 406 I C 1.158 177.426 176.117 0.253 0.000 1.175 406 I CA 1.658 63.127 61.300 0.282 0.000 1.429 406 I CB 0.582 38.746 38.000 0.274 0.000 1.371 406 I HN 0.967 nan 8.210 nan 0.000 0.569 407 G N 3.748 112.660 108.800 0.186 0.000 2.428 407 G HA2 0.372 4.333 3.960 0.003 0.000 0.305 407 G HA3 0.372 4.333 3.960 0.003 0.000 0.305 407 G C -1.688 173.127 174.900 -0.141 0.000 1.260 407 G CA -0.470 44.525 45.100 -0.175 0.000 0.853 407 G HN 0.427 nan 8.290 nan 0.000 0.480 408 S N -0.460 115.020 115.700 -0.367 0.000 2.502 408 S HA 0.760 5.231 4.470 0.003 0.000 0.304 408 S C 0.034 174.580 174.600 -0.089 0.000 1.097 408 S CA 0.058 58.169 58.200 -0.149 0.000 1.045 408 S CB 1.492 64.605 63.200 -0.145 0.000 1.019 408 S HN 1.394 nan 8.310 nan 0.000 0.481 409 A N 2.576 125.440 122.820 0.073 0.000 2.276 409 A HA 0.751 5.072 4.320 0.003 0.000 0.316 409 A C 0.523 178.147 177.584 0.068 0.000 1.229 409 A CA -0.497 51.617 52.037 0.129 0.000 0.851 409 A CB 0.632 19.735 19.000 0.171 0.000 1.165 409 A HN 0.702 nan 8.150 nan 0.000 0.513 410 S N 1.537 117.274 115.700 0.062 0.000 3.757 410 S HA 0.576 5.048 4.470 0.003 0.000 0.190 410 S C 1.188 175.816 174.600 0.047 0.000 0.948 410 S CA 0.212 58.438 58.200 0.044 0.000 1.592 410 S CB -0.418 62.806 63.200 0.039 0.000 0.656 410 S HN 1.096 nan 8.310 nan 0.000 0.640 411 G N 0.360 109.186 108.800 0.044 0.000 2.616 411 G HA2 0.522 4.484 3.960 0.003 0.000 0.268 411 G HA3 0.522 4.484 3.960 0.003 0.000 0.268 411 G C -1.266 173.652 174.900 0.030 0.000 1.213 411 G CA -0.229 44.890 45.100 0.033 0.000 0.926 411 G HN 0.369 nan 8.290 nan 0.000 0.523 412 L N 0.048 121.279 121.223 0.014 0.000 2.381 412 L HA 0.706 5.048 4.340 0.003 0.000 0.268 412 L C 0.113 176.987 176.870 0.007 0.000 0.997 412 L CA -0.445 54.391 54.840 -0.007 0.000 0.818 412 L CB 2.369 44.416 42.059 -0.020 0.000 1.310 412 L HN 0.715 nan 8.230 nan 0.000 0.416 413 S N 2.386 118.103 115.700 0.028 0.000 2.542 413 S HA 1.052 5.523 4.470 0.003 0.000 0.293 413 S C -0.420 174.230 174.600 0.084 0.000 1.089 413 S CA -0.078 58.158 58.200 0.059 0.000 0.961 413 S CB 1.888 65.129 63.200 0.067 0.000 1.062 413 S HN 1.413 nan 8.310 nan 0.000 0.483 414 G N 1.298 110.143 108.800 0.075 0.000 2.352 414 G HA2 0.417 4.379 3.960 0.003 0.000 0.302 414 G HA3 0.417 4.379 3.960 0.003 0.000 0.302 414 G C -1.991 172.935 174.900 0.043 0.000 1.370 414 G CA -1.106 44.031 45.100 0.062 0.000 0.918 414 G HN 0.803 nan 8.290 nan 0.000 0.610 415 R N -0.038 120.486 120.500 0.040 0.000 2.771 415 R HA 0.583 4.924 4.340 0.003 0.000 0.274 415 R C -2.801 173.510 176.300 0.018 0.000 0.987 415 R CA -1.779 54.342 56.100 0.035 0.000 0.908 415 R CB 2.650 32.985 30.300 0.059 0.000 1.213 415 R HN 0.351 nan 8.270 nan 0.000 0.468 416 P HA 0.001 nan 4.420 nan 0.000 0.265 416 P C 0.561 177.869 177.300 0.013 0.000 1.193 416 P CA 0.922 64.019 63.100 -0.005 0.000 0.765 416 P CB 0.612 32.310 31.700 -0.004 0.000 0.823 417 G N 1.522 110.324 108.800 0.004 0.000 2.205 417 G HA2 -0.221 3.741 3.960 0.003 0.000 0.261 417 G HA3 -0.221 3.741 3.960 0.003 0.000 0.261 417 G C 0.095 174.994 174.900 -0.002 0.000 0.980 417 G CA 0.101 45.205 45.100 0.007 0.000 0.632 417 G HN 0.638 nan 8.290 nan 0.000 0.533 418 D N 0.225 120.623 120.400 -0.003 0.000 2.198 418 D HA 0.411 5.053 4.640 0.003 0.000 0.245 418 D C 1.783 178.036 176.300 -0.079 0.000 1.079 418 D CA -0.556 53.435 54.000 -0.015 0.000 0.854 418 D CB 0.631 41.453 40.800 0.036 0.000 1.148 418 D HN 0.443 nan 8.370 nan 0.000 0.456 419 R N 2.903 123.295 120.500 -0.181 0.000 2.299 419 R HA 0.016 4.358 4.340 0.003 0.000 0.197 419 R C -0.187 175.882 176.300 -0.386 0.000 0.971 419 R CA 0.328 56.259 56.100 -0.281 0.000 1.030 419 R CB -0.003 30.093 30.300 -0.340 0.000 0.932 419 R HN 0.329 nan 8.270 nan 0.000 0.477 420 H N 0.985 119.994 119.070 -0.102 0.000 2.556 420 H HA 0.579 5.137 4.556 0.003 0.000 0.310 420 H C -0.377 174.745 175.328 -0.343 0.000 1.057 420 H CA -0.485 55.428 56.048 -0.226 0.000 1.264 420 H CB 1.596 31.319 29.762 -0.064 0.000 1.404 420 H HN 0.316 nan 8.280 nan 0.000 0.462 421 A N 3.569 126.080 122.820 -0.515 0.000 2.437 421 A HA 0.789 5.110 4.320 0.003 0.000 0.292 421 A C -1.620 175.290 177.584 -1.123 0.000 1.173 421 A CA -0.633 51.061 52.037 -0.571 0.000 0.785 421 A CB 1.591 20.352 19.000 -0.398 0.000 1.351 421 A HN 0.571 nan 8.150 nan 0.000 0.431 422 Y N -1.332 118.821 120.300 -0.244 0.000 2.544 422 Y HA 0.645 5.196 4.550 0.003 0.000 0.342 422 Y C -0.822 174.964 175.900 -0.191 0.000 1.062 422 Y CA -0.722 57.219 58.100 -0.265 0.000 1.023 422 Y CB 2.275 40.517 38.460 -0.363 0.000 1.308 422 Y HN 0.640 nan 8.280 nan 0.000 0.457 423 L N 1.660 122.876 121.223 -0.012 0.000 2.436 423 L HA 0.677 5.019 4.340 0.003 0.000 0.268 423 L C -0.640 176.282 176.870 0.086 0.000 0.974 423 L CA -0.351 54.493 54.840 0.005 0.000 0.826 423 L CB 2.276 44.307 42.059 -0.048 0.000 1.291 423 L HN 0.577 nan 8.230 nan 0.000 0.406 424 S N 4.168 119.933 115.700 0.107 0.000 2.489 424 S HA 0.653 5.124 4.470 0.003 0.000 0.277 424 S C -0.966 173.756 174.600 0.205 0.000 1.230 424 S CA -0.241 58.046 58.200 0.146 0.000 1.053 424 S CB 0.067 63.333 63.200 0.110 0.000 0.955 424 S HN 0.472 nan 8.310 nan 0.000 0.488 425 F N 4.206 124.184 119.950 0.046 0.000 2.556 425 F HA 0.698 5.227 4.527 0.003 0.000 0.314 425 F C -0.403 175.416 175.800 0.032 0.000 1.106 425 F CA -0.236 57.784 58.000 0.034 0.000 0.911 425 F CB 1.907 40.925 39.000 0.029 0.000 1.190 425 F HN 0.643 nan 8.300 nan 0.000 0.448 426 S N 3.579 118.807 115.700 -0.785 0.000 2.607 426 S HA 0.895 5.366 4.470 0.003 0.000 0.273 426 S C -1.189 172.919 174.600 -0.819 0.000 1.148 426 S CA -0.447 57.411 58.200 -0.570 0.000 0.833 426 S CB 1.796 64.876 63.200 -0.200 0.000 1.130 426 S HN 0.972 nan 8.310 nan 0.000 0.470 427 S N -0.836 114.584 115.700 -0.468 0.000 2.703 427 S HA 0.562 5.033 4.470 0.003 0.000 0.273 427 S C -0.449 173.952 174.600 -0.331 0.000 1.178 427 S CA -0.650 57.250 58.200 -0.501 0.000 0.838 427 S CB -0.093 62.908 63.200 -0.331 0.000 1.178 427 S HN 0.615 nan 8.310 nan 0.000 0.494 428 F N 1.793 121.644 119.950 -0.166 0.000 2.269 428 F HA 0.016 4.545 4.527 0.003 0.000 0.301 428 F C 2.254 178.005 175.800 -0.082 0.000 1.082 428 F CA 1.587 59.444 58.000 -0.237 0.000 1.360 428 F CB -0.335 38.512 39.000 -0.256 0.000 1.041 428 F HN 0.640 nan 8.300 nan 0.000 0.512 429 T N -3.416 111.236 114.554 0.164 0.000 3.252 429 T HA 0.290 4.641 4.350 0.003 0.000 0.286 429 T C 0.078 174.905 174.700 0.211 0.000 1.013 429 T CA -0.348 61.814 62.100 0.102 0.000 0.914 429 T CB 0.132 68.984 68.868 -0.028 0.000 1.131 429 T HN 0.033 nan 8.240 nan 0.000 0.529 430 Q N 1.921 121.811 119.800 0.151 0.000 2.533 430 Q HA 0.453 4.794 4.340 0.003 0.000 0.251 430 Q C -3.216 172.666 176.000 -0.198 0.000 0.966 430 Q CA -2.031 53.771 55.803 -0.002 0.000 0.714 430 Q CB 1.884 30.700 28.738 0.131 0.000 1.284 430 Q HN 0.087 nan 8.270 nan 0.000 0.478 431 P HA 0.077 nan 4.420 nan 0.000 0.267 431 P C -0.803 176.407 177.300 -0.150 0.000 1.200 431 P CA 0.042 62.803 63.100 -0.564 0.000 0.772 431 P CB 0.585 31.690 31.700 -0.992 0.000 0.855 432 A N 2.199 125.023 122.820 0.006 0.000 2.584 432 A HA 0.302 4.623 4.320 0.003 0.000 0.239 432 A C 0.573 178.222 177.584 0.109 0.000 1.043 432 A CA 1.049 53.123 52.037 0.062 0.000 0.756 432 A CB -0.791 18.268 19.000 0.098 0.000 0.963 432 A HN 0.525 nan 8.150 nan 0.000 0.511 433 T N 1.736 116.379 114.554 0.148 0.000 2.916 433 T HA 0.477 4.828 4.350 0.003 0.000 0.305 433 T C -0.828 174.005 174.700 0.221 0.000 1.119 433 T CA -0.454 61.760 62.100 0.190 0.000 1.008 433 T CB 1.077 70.038 68.868 0.155 0.000 1.129 433 T HN 0.643 nan 8.240 nan 0.000 0.480 434 V N 5.747 125.813 119.914 0.254 0.000 2.432 434 V HA 0.410 4.531 4.120 0.003 0.000 0.271 434 V C 0.178 176.416 176.094 0.240 0.000 1.046 434 V CA -0.414 62.030 62.300 0.240 0.000 0.945 434 V CB 0.573 32.564 31.823 0.280 0.000 0.992 434 V HN 0.680 nan 8.190 nan 0.000 0.471 435 L N 4.193 125.512 121.223 0.159 0.000 2.343 435 L HA 0.734 5.076 4.340 0.003 0.000 0.275 435 L C 0.593 177.489 176.870 0.043 0.000 1.056 435 L CA -0.516 54.384 54.840 0.100 0.000 0.804 435 L CB 1.424 43.485 42.059 0.003 0.000 1.203 435 L HN 0.684 nan 8.230 nan 0.000 0.440 436 A N 2.821 125.651 122.820 0.017 0.000 2.331 436 A HA 0.582 4.903 4.320 0.003 0.000 0.283 436 A C -0.795 176.641 177.584 -0.247 0.000 1.142 436 A CA -0.298 51.618 52.037 -0.202 0.000 0.812 436 A CB 0.748 19.711 19.000 -0.062 0.000 1.074 436 A HN 0.532 nan 8.150 nan 0.000 0.497 437 L N 2.142 123.124 121.223 -0.403 0.000 2.333 437 L HA 0.526 4.868 4.340 0.003 0.000 0.280 437 L C -0.854 175.821 176.870 -0.325 0.000 1.004 437 L CA -0.377 54.256 54.840 -0.345 0.000 0.820 437 L CB 1.793 43.590 42.059 -0.438 0.000 1.247 437 L HN 0.644 nan 8.230 nan 0.000 0.416 438 D N 6.936 127.209 120.400 -0.211 0.000 2.380 438 D HA 0.331 4.972 4.640 0.003 0.000 0.230 438 D C -1.888 174.343 176.300 -0.115 0.000 1.154 438 D CA -2.173 51.735 54.000 -0.152 0.000 0.859 438 D CB 1.763 42.508 40.800 -0.091 0.000 1.045 438 D HN 0.402 nan 8.370 nan 0.000 0.495 439 P HA -0.062 nan 4.420 nan 0.000 0.221 439 P C 0.973 178.372 177.300 0.165 0.000 1.150 439 P CA 0.526 63.687 63.100 0.102 0.000 0.800 439 P CB 0.279 32.046 31.700 0.113 0.000 0.787 440 A N 0.308 123.152 122.820 0.040 0.000 2.014 440 A HA -0.076 4.246 4.320 0.003 0.000 0.218 440 A C 2.086 179.679 177.584 0.015 0.000 1.163 440 A CA 2.189 54.237 52.037 0.019 0.000 0.652 440 A CB -1.480 17.511 19.000 -0.014 0.000 0.808 440 A HN 0.384 nan 8.150 nan 0.000 0.449 441 T N -5.546 109.014 114.554 0.010 0.000 2.985 441 T HA 0.493 4.845 4.350 0.003 0.000 0.254 441 T C 0.856 175.566 174.700 0.017 0.000 1.021 441 T CA 1.040 63.141 62.100 0.002 0.000 0.957 441 T CB 0.137 68.996 68.868 -0.015 0.000 1.047 441 T HN 1.741 nan 8.240 nan 0.000 0.511 442 A N 0.861 123.713 122.820 0.054 0.000 2.846 442 A HA -0.147 4.174 4.320 0.003 0.000 0.287 442 A C 0.088 177.673 177.584 0.001 0.000 1.469 442 A CA 0.880 52.972 52.037 0.091 0.000 0.757 442 A CB -2.516 16.560 19.000 0.126 0.000 1.033 442 A HN 0.661 nan 8.150 nan 0.000 0.516 443 K N 0.449 120.823 120.400 -0.042 0.000 2.270 443 K HA 0.583 4.905 4.320 0.003 0.000 0.255 443 K C 0.359 176.903 176.600 -0.094 0.000 0.936 443 K CA 0.072 56.324 56.287 -0.059 0.000 0.809 443 K CB 1.738 34.212 32.500 -0.044 0.000 1.131 443 K HN 0.576 nan 8.250 nan 0.000 0.427 444 T N -0.967 113.527 114.554 -0.099 0.000 2.928 444 T HA 0.571 4.922 4.350 0.003 0.000 0.284 444 T C 0.147 174.797 174.700 -0.083 0.000 1.008 444 T CA -0.615 61.417 62.100 -0.113 0.000 1.057 444 T CB 1.402 70.187 68.868 -0.138 0.000 1.018 444 T HN 0.651 nan 8.240 nan 0.000 0.493 445 T N -0.947 113.570 114.554 -0.062 0.000 2.843 445 T HA 0.658 5.009 4.350 0.003 0.000 0.302 445 T C -3.275 171.429 174.700 0.007 0.000 1.232 445 T CA -1.977 60.106 62.100 -0.029 0.000 1.009 445 T CB 0.987 69.847 68.868 -0.015 0.000 1.254 445 T HN 0.409 nan 8.240 nan 0.000 0.504 446 P HA 0.211 nan 4.420 nan 0.000 0.268 446 P C -0.862 176.510 177.300 0.121 0.000 1.205 446 P CA -0.294 62.835 63.100 0.048 0.000 0.771 446 P CB 0.556 32.258 31.700 0.003 0.000 0.858 447 W N 2.729 123.982 121.300 -0.077 0.000 3.349 447 W HA 0.218 4.879 4.660 0.003 0.000 0.645 447 W C -0.087 176.309 176.519 -0.205 0.000 2.564 447 W CA 0.202 57.484 57.345 -0.105 0.000 1.006 447 W CB -0.311 29.123 29.460 -0.043 0.000 2.966 447 W HN 0.156 nan 8.180 nan 0.000 0.601 448 E N 2.200 121.841 120.200 -0.932 0.000 2.415 448 E HA 0.069 4.421 4.350 0.003 0.000 0.263 448 E C -2.025 174.248 176.600 -0.545 0.000 0.995 448 E CA -1.138 54.600 56.400 -1.104 0.000 0.915 448 E CB -0.187 28.304 29.700 -2.016 0.000 0.951 448 E HN 0.007 nan 8.360 nan 0.000 0.449 449 P HA 0.014 nan 4.420 nan 0.000 0.266 449 P C -0.683 176.604 177.300 -0.022 0.000 1.195 449 P CA 0.003 63.015 63.100 -0.147 0.000 0.768 449 P CB 0.581 32.217 31.700 -0.107 0.000 0.838 450 V N 2.964 122.907 119.914 0.049 0.000 2.487 450 V HA 0.183 4.305 4.120 0.003 0.000 0.298 450 V C -0.246 175.907 176.094 0.099 0.000 1.028 450 V CA -0.589 61.804 62.300 0.156 0.000 0.860 450 V CB 1.227 33.123 31.823 0.122 0.000 0.991 450 V HN 0.561 nan 8.190 nan 0.000 0.427 451 H N 5.685 124.788 119.070 0.056 0.000 2.782 451 H HA 0.611 5.168 4.556 0.003 0.000 0.285 451 H C -0.820 174.474 175.328 -0.057 0.000 1.093 451 H CA 0.110 56.157 56.048 -0.001 0.000 1.410 451 H CB 0.281 30.067 29.762 0.040 0.000 1.439 451 H HN 0.539 nan 8.280 nan 0.000 0.469 452 L N 3.057 123.952 121.223 -0.548 0.000 2.286 452 L HA 0.303 4.644 4.340 0.003 0.000 0.265 452 L C 1.324 177.833 176.870 -0.602 0.000 1.012 452 L CA -0.552 53.899 54.840 -0.649 0.000 0.818 452 L CB 1.985 43.502 42.059 -0.903 0.000 1.337 452 L HN 0.692 nan 8.230 nan 0.000 0.438 453 T N -2.774 111.572 114.554 -0.347 0.000 3.148 453 T HA 0.171 4.522 4.350 0.003 0.000 0.253 453 T C -0.079 174.688 174.700 0.112 0.000 1.134 453 T CA 0.113 62.168 62.100 -0.074 0.000 1.051 453 T CB -0.533 68.379 68.868 0.073 0.000 0.959 453 T HN 0.363 nan 8.240 nan 0.000 0.525 454 F N -1.257 118.685 119.950 -0.012 0.000 2.664 454 F HA 0.782 5.310 4.527 0.003 0.000 0.317 454 F C -1.478 174.382 175.800 0.099 0.000 1.108 454 F CA -1.950 56.113 58.000 0.105 0.000 0.957 454 F CB 0.927 40.040 39.000 0.189 0.000 1.365 454 F HN -0.221 nan 8.300 nan 0.000 0.475 455 D N 1.643 122.255 120.400 0.352 0.000 2.392 455 D HA 0.439 5.081 4.640 0.003 0.000 0.228 455 D C -2.036 174.562 176.300 0.497 0.000 1.074 455 D CA -2.611 51.524 54.000 0.225 0.000 0.838 455 D CB 1.945 42.846 40.800 0.167 0.000 1.067 455 D HN 0.180 nan 8.370 nan 0.000 0.511 456 P HA -0.149 nan 4.420 nan 0.000 0.217 456 P C 0.879 178.452 177.300 0.456 0.000 1.148 456 P CA 1.316 64.695 63.100 0.466 0.000 0.834 456 P CB 0.219 32.060 31.700 0.236 0.000 0.783 457 A N -0.742 122.256 122.820 0.296 0.000 2.216 457 A HA -0.143 4.179 4.320 0.003 0.000 0.214 457 A C 1.515 179.229 177.584 0.216 0.000 1.160 457 A CA 1.353 53.525 52.037 0.225 0.000 0.725 457 A CB -1.046 18.037 19.000 0.139 0.000 0.784 457 A HN 0.073 nan 8.150 nan 0.000 0.472 458 D N -1.301 119.245 120.400 0.243 0.000 2.336 458 D HA 0.241 4.883 4.640 0.003 0.000 0.229 458 D C -0.552 175.531 176.300 -0.362 0.000 1.061 458 D CA 0.527 54.540 54.000 0.021 0.000 0.875 458 D CB -0.037 40.736 40.800 -0.045 0.000 0.904 458 D HN 0.400 nan 8.370 nan 0.000 0.525 459 F N -0.536 119.537 119.950 0.205 0.000 2.613 459 F HA 0.462 4.991 4.527 0.003 0.000 0.314 459 F C 0.305 176.190 175.800 0.141 0.000 1.075 459 F CA -1.191 56.900 58.000 0.151 0.000 0.945 459 F CB 1.840 40.926 39.000 0.145 0.000 1.310 459 F HN -0.523 nan 8.300 nan 0.000 0.467 460 R N 1.007 121.685 120.500 0.297 0.000 2.532 460 R HA 0.751 5.093 4.340 0.003 0.000 0.297 460 R C -2.049 174.391 176.300 0.233 0.000 0.984 460 R CA -0.636 55.599 56.100 0.226 0.000 0.884 460 R CB 1.982 32.373 30.300 0.151 0.000 1.182 460 R HN 0.556 nan 8.270 nan 0.000 0.442 461 V N 4.063 124.121 119.914 0.240 0.000 2.383 461 V HA 0.318 4.440 4.120 0.003 0.000 0.275 461 V C -0.075 176.160 176.094 0.235 0.000 1.036 461 V CA -0.344 62.107 62.300 0.251 0.000 0.889 461 V CB 1.419 33.412 31.823 0.283 0.000 0.985 461 V HN 0.796 nan 8.190 nan 0.000 0.459 462 E N 3.174 123.506 120.200 0.220 0.000 2.263 462 E HA 0.593 4.944 4.350 0.003 0.000 0.264 462 E C -0.926 175.793 176.600 0.197 0.000 0.923 462 E CA -0.762 55.750 56.400 0.187 0.000 0.802 462 E CB 2.685 32.467 29.700 0.137 0.000 1.228 462 E HN 0.676 nan 8.360 nan 0.000 0.417 463 Q N 1.614 121.476 119.800 0.104 0.000 2.347 463 Q HA 0.512 4.853 4.340 0.003 0.000 0.271 463 Q C -1.415 174.420 176.000 -0.275 0.000 1.064 463 Q CA -0.735 54.999 55.803 -0.115 0.000 0.800 463 Q CB 1.991 30.656 28.738 -0.122 0.000 1.304 463 Q HN 0.445 nan 8.270 nan 0.000 0.438 464 V N -0.095 119.508 119.914 -0.518 0.000 3.126 464 V HA 0.766 4.888 4.120 0.003 0.000 0.314 464 V C -1.331 174.262 176.094 -0.836 0.000 1.138 464 V CA -0.832 61.172 62.300 -0.492 0.000 1.034 464 V CB 1.869 33.388 31.823 -0.507 0.000 1.075 464 V HN 0.698 nan 8.190 nan 0.000 0.442 465 F N 2.339 122.171 119.950 -0.197 0.000 2.536 465 F HA 0.753 5.282 4.527 0.003 0.000 0.322 465 F C -0.538 175.147 175.800 -0.192 0.000 1.144 465 F CA -0.569 57.310 58.000 -0.200 0.000 0.924 465 F CB 1.721 40.639 39.000 -0.136 0.000 1.181 465 F HN 0.766 nan 8.300 nan 0.000 0.438 466 Y N 2.000 122.190 120.300 -0.183 0.000 2.485 466 Y HA 0.836 5.387 4.550 0.003 0.000 0.345 466 Y C -3.170 172.728 175.900 -0.003 0.000 0.998 466 Y CA -3.837 54.149 58.100 -0.190 0.000 1.059 466 Y CB 1.370 39.489 38.460 -0.569 0.000 1.234 466 Y HN 0.250 nan 8.280 nan 0.000 0.461 467 P HA 0.108 nan 4.420 nan 0.000 0.281 467 P C -0.188 177.217 177.300 0.175 0.000 1.252 467 P CA -0.007 63.147 63.100 0.090 0.000 0.778 467 P CB 1.881 33.648 31.700 0.112 0.000 0.895 468 S N 2.124 117.861 115.700 0.061 0.000 2.652 468 S HA 0.128 4.600 4.470 0.003 0.000 0.267 468 S C 1.571 176.217 174.600 0.077 0.000 1.201 468 S CA -0.450 57.814 58.200 0.108 0.000 0.996 468 S CB 0.306 63.523 63.200 0.028 0.000 1.054 468 S HN 0.472 nan 8.310 nan 0.000 0.561 469 K N 0.435 120.874 120.400 0.064 0.000 2.044 469 K HA -0.188 4.134 4.320 0.003 0.000 0.210 469 K C 1.092 177.705 176.600 0.022 0.000 1.049 469 K CA 2.273 58.586 56.287 0.043 0.000 0.927 469 K CB -0.430 32.089 32.500 0.032 0.000 0.713 469 K HN 0.753 nan 8.250 nan 0.000 0.443 470 D N -1.729 118.672 120.400 0.003 0.000 2.336 470 D HA 0.038 4.680 4.640 0.003 0.000 0.229 470 D C 1.022 177.317 176.300 -0.007 0.000 1.061 470 D CA 0.839 54.833 54.000 -0.010 0.000 0.875 470 D CB 0.328 41.109 40.800 -0.030 0.000 0.904 470 D HN 0.483 nan 8.370 nan 0.000 0.525 471 G N -0.652 108.150 108.800 0.005 0.000 2.213 471 G HA2 -0.265 3.696 3.960 0.003 0.000 0.236 471 G HA3 -0.265 3.696 3.960 0.003 0.000 0.236 471 G C 0.471 175.365 174.900 -0.009 0.000 0.991 471 G CA 0.185 45.289 45.100 0.006 0.000 0.629 471 G HN 0.453 nan 8.290 nan 0.000 0.517 472 T N 3.342 117.882 114.554 -0.023 0.000 2.902 472 T HA 0.378 4.730 4.350 0.003 0.000 0.301 472 T C 0.454 175.130 174.700 -0.041 0.000 1.012 472 T CA 0.275 62.360 62.100 -0.024 0.000 1.151 472 T CB 0.899 69.741 68.868 -0.043 0.000 0.946 472 T HN 0.174 nan 8.240 nan 0.000 0.542 473 K N 3.465 123.847 120.400 -0.031 0.000 2.312 473 K HA 0.354 4.676 4.320 0.003 0.000 0.287 473 K C -0.482 176.103 176.600 -0.025 0.000 1.062 473 K CA -0.289 55.959 56.287 -0.066 0.000 0.934 473 K CB 1.079 33.549 32.500 -0.049 0.000 1.027 473 K HN 0.310 nan 8.250 nan 0.000 0.478 474 V N 5.652 125.389 119.914 -0.296 0.000 2.513 474 V HA 0.296 4.418 4.120 0.003 0.000 0.299 474 V C -2.257 173.653 176.094 -0.306 0.000 1.035 474 V CA -2.373 59.796 62.300 -0.218 0.000 0.889 474 V CB 1.747 33.241 31.823 -0.548 0.000 0.988 474 V HN 0.575 nan 8.190 nan 0.000 0.440 475 P HA 0.429 nan 4.420 nan 0.000 0.279 475 P C -0.783 176.308 177.300 -0.349 0.000 1.239 475 P CA -0.393 62.464 63.100 -0.406 0.000 0.789 475 P CB 0.720 32.202 31.700 -0.365 0.000 0.933 476 M N 2.872 122.166 119.600 -0.511 0.000 2.378 476 M HA 0.515 4.997 4.480 0.003 0.000 0.289 476 M C -1.743 174.237 176.300 -0.534 0.000 1.136 476 M CA -0.726 54.335 55.300 -0.399 0.000 0.917 476 M CB 1.321 33.787 32.600 -0.223 0.000 1.669 476 M HN 0.001 nan 8.290 nan 0.000 0.461 477 F N 4.696 124.542 119.950 -0.173 0.000 2.404 477 F HA 0.622 5.150 4.527 0.003 0.000 0.339 477 F C -0.296 175.357 175.800 -0.245 0.000 1.105 477 F CA -0.430 57.476 58.000 -0.156 0.000 1.087 477 F CB 1.102 40.046 39.000 -0.093 0.000 1.143 477 F HN 0.365 nan 8.300 nan 0.000 0.491 478 I N 3.269 123.870 120.570 0.051 0.000 2.466 478 I HA 0.486 4.658 4.170 0.003 0.000 0.289 478 I C -1.289 174.872 176.117 0.074 0.000 1.026 478 I CA -0.799 60.498 61.300 -0.006 0.000 1.078 478 I CB 2.038 40.058 38.000 0.032 0.000 1.249 478 I HN 0.156 nan 8.210 nan 0.000 0.429 479 V N 6.529 126.492 119.914 0.081 0.000 2.483 479 V HA 0.602 4.724 4.120 0.003 0.000 0.297 479 V C -0.326 175.881 176.094 0.189 0.000 1.027 479 V CA -0.605 61.791 62.300 0.160 0.000 0.855 479 V CB 1.909 33.836 31.823 0.173 0.000 0.995 479 V HN 0.695 nan 8.190 nan 0.000 0.424 480 R N 2.432 123.049 120.500 0.195 0.000 2.626 480 R HA 0.531 4.873 4.340 0.003 0.000 0.274 480 R C -0.540 175.869 176.300 0.181 0.000 1.031 480 R CA -0.978 55.220 56.100 0.163 0.000 0.898 480 R CB 2.871 33.216 30.300 0.075 0.000 1.222 480 R HN 0.689 nan 8.270 nan 0.000 0.455 481 R N 1.309 121.890 120.500 0.135 0.000 2.734 481 R HA 0.006 4.348 4.340 0.003 0.000 0.266 481 R C 0.371 176.462 176.300 -0.348 0.000 1.044 481 R CA 0.374 56.364 56.100 -0.185 0.000 1.128 481 R CB 0.615 30.777 30.300 -0.231 0.000 1.010 481 R HN 0.508 nan 8.270 nan 0.000 0.461 482 K N 1.358 121.456 120.400 -0.502 0.000 2.525 482 K HA -0.072 4.249 4.320 0.003 0.000 0.192 482 K C 0.678 176.809 176.600 -0.781 0.000 1.029 482 K CA 0.871 56.895 56.287 -0.438 0.000 1.029 482 K CB 0.172 32.583 32.500 -0.149 0.000 0.814 482 K HN 0.608 nan 8.250 nan 0.000 0.503 483 D N 0.628 120.222 120.400 -1.343 0.000 2.347 483 D HA -0.065 4.577 4.640 0.003 0.000 0.215 483 D C 0.378 176.363 176.300 -0.524 0.000 0.976 483 D CA 0.054 53.373 54.000 -1.135 0.000 0.884 483 D CB -0.096 39.708 40.800 -1.660 0.000 0.915 483 D HN -0.034 nan 8.370 nan 0.000 0.526 484 A N 0.830 123.422 122.820 -0.381 0.000 2.484 484 A HA 0.224 4.545 4.320 0.003 0.000 0.268 484 A C 0.664 178.158 177.584 -0.149 0.000 1.114 484 A CA -0.177 51.737 52.037 -0.206 0.000 0.780 484 A CB 0.215 19.139 19.000 -0.128 0.000 1.061 484 A HN 0.003 nan 8.150 nan 0.000 0.505 485 K N 2.116 122.444 120.400 -0.120 0.000 2.860 485 K HA 0.352 4.673 4.320 0.003 0.000 0.204 485 K C 0.256 176.819 176.600 -0.062 0.000 1.127 485 K CA 0.588 56.826 56.287 -0.082 0.000 1.050 485 K CB 0.905 33.356 32.500 -0.082 0.000 0.745 485 K HN 1.028 nan 8.250 nan 0.000 0.459 486 G N 1.279 110.043 108.800 -0.059 0.000 2.321 486 G HA2 0.242 4.204 3.960 0.003 0.000 0.296 486 G HA3 0.242 4.204 3.960 0.003 0.000 0.296 486 G C -3.182 171.692 174.900 -0.044 0.000 1.287 486 G CA -0.799 44.272 45.100 -0.049 0.000 0.846 486 G HN -0.221 nan 8.290 nan 0.000 0.508 487 P HA 0.443 nan 4.420 nan 0.000 0.265 487 P C -0.521 176.765 177.300 -0.024 0.000 1.193 487 P CA 0.194 63.273 63.100 -0.035 0.000 0.765 487 P CB 0.626 32.300 31.700 -0.043 0.000 0.823 488 L N 4.763 125.985 121.223 -0.002 0.000 2.371 488 L HA 0.466 4.808 4.340 0.003 0.000 0.262 488 L C -2.418 174.488 176.870 0.061 0.000 1.006 488 L CA -2.891 51.953 54.840 0.008 0.000 0.818 488 L CB 2.484 44.545 42.059 0.003 0.000 1.354 488 L HN 0.105 nan 8.230 nan 0.000 0.415 489 P HA 0.012 nan 4.420 nan 0.000 0.261 489 P C -1.028 176.491 177.300 0.364 0.000 1.173 489 P CA 0.421 63.633 63.100 0.188 0.000 0.760 489 P CB 0.415 32.191 31.700 0.127 0.000 0.783 490 T N 3.861 118.660 114.554 0.408 0.000 2.886 490 T HA 0.466 4.818 4.350 0.003 0.000 0.292 490 T C -0.674 174.154 174.700 0.213 0.000 1.012 490 T CA -0.531 61.783 62.100 0.356 0.000 0.982 490 T CB 0.814 69.770 68.868 0.146 0.000 1.018 490 T HN 0.227 nan 8.240 nan 0.000 0.451 491 L N 4.410 125.629 121.223 -0.008 0.000 2.280 491 L HA 0.688 5.030 4.340 0.003 0.000 0.287 491 L C -1.299 175.426 176.870 -0.242 0.000 1.023 491 L CA -1.018 53.609 54.840 -0.354 0.000 0.819 491 L CB 0.734 42.192 42.059 -1.002 0.000 1.212 491 L HN 0.485 nan 8.230 nan 0.000 0.420 492 L N 5.997 127.118 121.223 -0.170 0.000 2.287 492 L HA 0.447 4.788 4.340 0.003 0.000 0.287 492 L C -1.427 175.468 176.870 0.042 0.000 1.022 492 L CA -0.084 54.644 54.840 -0.187 0.000 0.814 492 L CB 1.291 43.217 42.059 -0.223 0.000 1.217 492 L HN 0.534 nan 8.230 nan 0.000 0.420 493 Y N 4.205 124.428 120.300 -0.128 0.000 2.409 493 Y HA 0.835 5.387 4.550 0.003 0.000 0.339 493 Y C 0.129 176.161 175.900 0.220 0.000 1.033 493 Y CA 0.011 58.152 58.100 0.068 0.000 1.094 493 Y CB 1.966 40.416 38.460 -0.017 0.000 1.210 493 Y HN 0.759 nan 8.280 nan 0.000 0.456 494 G N 3.026 111.531 108.800 -0.491 0.000 2.684 494 G HA2 0.292 4.254 3.960 0.003 0.000 0.290 494 G HA3 0.292 4.254 3.960 0.003 0.000 0.290 494 G C -1.970 172.615 174.900 -0.527 0.000 1.425 494 G CA -0.431 44.450 45.100 -0.366 0.000 0.822 494 G HN 0.636 nan 8.290 nan 0.000 0.482 495 Y N -0.036 120.071 120.300 -0.322 0.000 3.183 495 Y HA 0.464 5.016 4.550 0.003 0.000 0.200 495 Y C 1.518 177.324 175.900 -0.157 0.000 0.912 495 Y CA 1.528 59.493 58.100 -0.225 0.000 1.642 495 Y CB 0.597 39.019 38.460 -0.063 0.000 1.447 495 Y HN 1.657 nan 8.280 nan 0.000 0.421 496 G N 0.925 109.765 108.800 0.066 0.000 2.643 496 G HA2 0.346 4.308 3.960 0.003 0.000 0.280 496 G HA3 0.346 4.308 3.960 0.003 0.000 0.280 496 G C -0.036 174.795 174.900 -0.115 0.000 1.120 496 G CA 0.391 45.462 45.100 -0.047 0.000 1.165 496 G HN 1.335 nan 8.290 nan 0.000 0.540 497 G N -1.239 107.594 108.800 0.055 0.000 2.340 497 G HA2 0.623 4.585 3.960 0.003 0.000 0.298 497 G HA3 0.623 4.585 3.960 0.003 0.000 0.298 497 G C -0.034 174.978 174.900 0.185 0.000 1.498 497 G CA 0.209 45.303 45.100 -0.011 0.000 0.847 497 G HN 1.492 nan 8.290 nan 0.000 0.594 498 F N -0.290 119.644 119.950 -0.027 0.000 3.057 498 F HA -0.243 4.286 4.527 0.003 0.000 0.287 498 F C 1.338 176.912 175.800 -0.376 0.000 0.834 498 F CA 1.204 59.124 58.000 -0.133 0.000 1.147 498 F CB -1.537 37.450 39.000 -0.022 0.000 1.245 498 F HN 1.048 nan 8.300 nan 0.000 0.509 499 N N -1.237 117.081 118.700 -0.637 0.000 2.753 499 N HA -0.197 4.544 4.740 0.003 0.000 0.251 499 N C -0.383 175.064 175.510 -0.105 0.000 1.097 499 N CA 0.969 53.744 53.050 -0.458 0.000 0.786 499 N CB -0.833 37.354 38.487 -0.499 0.000 1.137 499 N HN 0.259 nan 8.380 nan 0.000 0.566 500 V N 0.642 120.556 119.914 -0.000 0.000 2.479 500 V HA 0.493 4.615 4.120 0.003 0.000 0.281 500 V C 1.006 177.124 176.094 0.040 0.000 1.031 500 V CA 0.157 62.450 62.300 -0.011 0.000 1.038 500 V CB 0.835 32.603 31.823 -0.091 0.000 0.981 500 V HN 0.381 nan 8.190 nan 0.000 0.478 501 A N 6.706 129.529 122.820 0.007 0.000 2.252 501 A HA 0.654 4.975 4.320 0.003 0.000 0.309 501 A C -0.165 177.460 177.584 0.067 0.000 1.285 501 A CA -0.499 51.564 52.037 0.044 0.000 0.900 501 A CB 0.196 19.200 19.000 0.006 0.000 1.157 501 A HN 0.855 nan 8.150 nan 0.000 0.536 502 L N 4.383 125.712 121.223 0.175 0.000 2.466 502 L HA 0.180 4.522 4.340 0.003 0.000 0.248 502 L C 0.793 177.924 176.870 0.436 0.000 1.240 502 L CA -0.376 54.644 54.840 0.300 0.000 1.180 502 L CB -0.427 41.903 42.059 0.452 0.000 1.413 502 L HN 0.892 nan 8.230 nan 0.000 0.406 503 T N -1.077 113.647 114.554 0.283 0.000 2.828 503 T HA 0.373 4.724 4.350 0.003 0.000 0.290 503 T C -2.419 172.409 174.700 0.214 0.000 1.019 503 T CA -1.844 60.413 62.100 0.262 0.000 1.031 503 T CB 0.830 69.769 68.868 0.117 0.000 1.001 503 T HN 0.061 nan 8.240 nan 0.000 0.531 504 P HA 0.286 nan 4.420 nan 0.000 0.266 504 P C -0.959 176.127 177.300 -0.356 0.000 1.195 504 P CA -0.138 62.503 63.100 -0.766 0.000 0.768 504 P CB 0.163 31.282 31.700 -0.968 0.000 0.838 505 W N 3.266 124.076 121.300 -0.816 0.000 3.025 505 W HA 0.609 5.270 4.660 0.003 0.000 0.343 505 W C -2.323 174.021 176.519 -0.291 0.000 1.246 505 W CA -1.196 55.914 57.345 -0.391 0.000 1.178 505 W CB 0.568 29.917 29.460 -0.185 0.000 1.463 505 W HN 0.169 nan 8.180 nan 0.000 0.578 506 F N 3.283 123.084 119.950 -0.248 0.000 2.391 506 F HA 0.587 5.116 4.527 0.003 0.000 0.359 506 F C -0.236 175.423 175.800 -0.235 0.000 1.122 506 F CA -0.486 57.346 58.000 -0.278 0.000 1.120 506 F CB 1.200 40.136 39.000 -0.106 0.000 1.142 506 F HN 0.384 nan 8.300 nan 0.000 0.483 507 S N 5.136 120.109 115.700 -1.212 0.000 2.456 507 S HA 0.621 5.093 4.470 0.003 0.000 0.316 507 S C 0.758 174.647 174.600 -1.186 0.000 1.089 507 S CA -0.137 57.492 58.200 -0.951 0.000 1.101 507 S CB 1.195 63.807 63.200 -0.979 0.000 0.995 507 S HN 0.960 nan 8.310 nan 0.000 0.468 508 A N 4.864 127.217 122.820 -0.778 0.000 1.933 508 A HA 0.105 4.427 4.320 0.003 0.000 0.218 508 A C 2.073 179.448 177.584 -0.347 0.000 1.175 508 A CA 1.903 53.681 52.037 -0.431 0.000 0.628 508 A CB -1.426 17.548 19.000 -0.043 0.000 0.814 508 A HN 1.049 nan 8.150 nan 0.000 0.444 509 G N -0.929 107.634 108.800 -0.395 0.000 2.446 509 G HA2 -0.163 3.798 3.960 0.003 0.000 0.217 509 G HA3 -0.163 3.798 3.960 0.003 0.000 0.217 509 G C 1.283 176.016 174.900 -0.279 0.000 1.168 509 G CA 1.173 46.076 45.100 -0.328 0.000 0.771 509 G HN 0.397 nan 8.290 nan 0.000 0.551 510 F N 0.038 119.713 119.950 -0.458 0.000 2.186 510 F HA 0.120 4.649 4.527 0.003 0.000 0.299 510 F C 2.540 178.057 175.800 -0.471 0.000 1.090 510 F CA 0.835 58.455 58.000 -0.633 0.000 1.307 510 F CB -0.760 37.495 39.000 -1.243 0.000 1.019 510 F HN 0.106 nan 8.300 nan 0.000 0.489 511 M N 0.079 119.468 119.600 -0.352 0.000 2.213 511 M HA -0.147 4.335 4.480 0.003 0.000 0.263 511 M C 2.019 178.213 176.300 -0.177 0.000 1.062 511 M CA 1.728 56.820 55.300 -0.346 0.000 1.105 511 M CB -1.020 31.314 32.600 -0.443 0.000 1.385 511 M HN 0.026 nan 8.290 nan 0.000 0.417 512 T N -0.450 114.056 114.554 -0.080 0.000 2.684 512 T HA -0.219 4.133 4.350 0.003 0.000 0.267 512 T C 1.468 176.236 174.700 0.113 0.000 1.036 512 T CA 1.716 63.830 62.100 0.023 0.000 1.148 512 T CB -0.615 68.284 68.868 0.053 0.000 0.863 512 T HN 0.650 nan 8.240 nan 0.000 0.436 513 W N 1.645 122.931 121.300 -0.024 0.000 2.354 513 W HA -0.106 4.556 4.660 0.003 0.000 0.315 513 W C 1.865 178.402 176.519 0.029 0.000 1.206 513 W CA 1.010 58.373 57.345 0.030 0.000 1.290 513 W CB -0.536 28.966 29.460 0.070 0.000 1.152 513 W HN 0.248 nan 8.180 nan 0.000 0.489 514 I N 0.672 121.360 120.570 0.196 0.000 2.226 514 I HA -0.288 3.883 4.170 0.003 0.000 0.245 514 I C 1.668 177.865 176.117 0.134 0.000 1.100 514 I CA 1.891 63.272 61.300 0.136 0.000 1.374 514 I CB -0.746 37.309 38.000 0.091 0.000 1.057 514 I HN -0.184 nan 8.210 nan 0.000 0.413 515 D N -0.172 120.281 120.400 0.089 0.000 2.319 515 D HA 0.009 4.651 4.640 0.003 0.000 0.230 515 D C 1.328 177.680 176.300 0.087 0.000 1.094 515 D CA 0.370 54.475 54.000 0.175 0.000 0.856 515 D CB 0.148 41.010 40.800 0.103 0.000 0.915 515 D HN 0.042 nan 8.370 nan 0.000 0.517 516 S N -1.276 114.417 115.700 -0.011 0.000 2.554 516 S HA 0.366 4.837 4.470 0.003 0.000 0.226 516 S C 1.337 175.845 174.600 -0.154 0.000 0.980 516 S CA 0.174 58.328 58.200 -0.077 0.000 0.939 516 S CB 1.079 64.205 63.200 -0.124 0.000 0.832 516 S HN 0.405 nan 8.310 nan 0.000 0.486 517 G N 1.243 109.962 108.800 -0.135 0.000 2.141 517 G HA2 -0.139 3.823 3.960 0.003 0.000 0.231 517 G HA3 -0.139 3.823 3.960 0.003 0.000 0.231 517 G C 0.234 174.985 174.900 -0.247 0.000 0.984 517 G CA -0.330 44.674 45.100 -0.161 0.000 0.660 517 G HN 0.779 nan 8.290 nan 0.000 0.525 518 G N -0.515 108.033 108.800 -0.420 0.000 2.437 518 G HA2 0.832 4.794 3.960 0.003 0.000 0.319 518 G HA3 0.832 4.794 3.960 0.003 0.000 0.319 518 G C 0.159 175.077 174.900 0.029 0.000 1.158 518 G CA 0.377 45.192 45.100 -0.475 0.000 0.899 518 G HN 1.466 nan 8.290 nan 0.000 0.502 519 A N 0.024 123.014 122.820 0.283 0.000 2.306 519 A HA 0.697 5.019 4.320 0.003 0.000 0.314 519 A C -1.222 176.641 177.584 0.465 0.000 1.164 519 A CA -0.522 51.695 52.037 0.300 0.000 0.822 519 A CB 0.900 20.002 19.000 0.171 0.000 1.130 519 A HN 0.819 nan 8.150 nan 0.000 0.496 520 F N 1.842 121.864 119.950 0.119 0.000 2.495 520 F HA 0.696 5.225 4.527 0.003 0.000 0.327 520 F C -0.013 175.688 175.800 -0.166 0.000 1.103 520 F CA -0.588 57.359 58.000 -0.088 0.000 0.949 520 F CB 1.641 40.520 39.000 -0.201 0.000 1.142 520 F HN 0.768 nan 8.300 nan 0.000 0.457 521 A N 6.789 128.988 122.820 -1.034 0.000 2.414 521 A HA 0.768 5.090 4.320 0.003 0.000 0.306 521 A C -2.232 174.722 177.584 -1.049 0.000 1.054 521 A CA -0.724 50.821 52.037 -0.820 0.000 0.724 521 A CB 1.560 20.329 19.000 -0.385 0.000 1.267 521 A HN 0.982 nan 8.150 nan 0.000 0.418 522 L N 2.117 122.947 121.223 -0.654 0.000 2.439 522 L HA 0.792 5.134 4.340 0.003 0.000 0.270 522 L C -0.222 176.644 176.870 -0.008 0.000 0.972 522 L CA -0.492 54.191 54.840 -0.262 0.000 0.836 522 L CB 1.653 43.644 42.059 -0.114 0.000 1.255 522 L HN 0.926 nan 8.230 nan 0.000 0.404 523 A N 3.388 126.277 122.820 0.115 0.000 2.292 523 A HA 0.485 4.807 4.320 0.003 0.000 0.319 523 A C -0.467 177.260 177.584 0.238 0.000 1.206 523 A CA -0.573 51.570 52.037 0.176 0.000 0.835 523 A CB 0.330 19.497 19.000 0.279 0.000 1.164 523 A HN 0.853 nan 8.150 nan 0.000 0.505 524 N N 2.114 120.931 118.700 0.194 0.000 3.298 524 N HA 0.323 5.064 4.740 0.003 0.000 0.292 524 N C -0.515 175.258 175.510 0.438 0.000 1.271 524 N CA -0.104 53.103 53.050 0.262 0.000 1.184 524 N CB -0.053 38.501 38.487 0.112 0.000 1.452 524 N HN 0.654 nan 8.380 nan 0.000 0.534 525 L N 0.589 122.012 121.223 0.334 0.000 2.499 525 L HA 0.091 4.432 4.340 0.003 0.000 0.281 525 L C 1.268 178.192 176.870 0.090 0.000 1.234 525 L CA -0.140 54.825 54.840 0.208 0.000 0.839 525 L CB 0.363 42.482 42.059 0.100 0.000 1.104 525 L HN 0.301 nan 8.230 nan 0.000 0.500 526 R N 0.849 121.085 120.500 -0.440 0.000 2.861 526 R HA 0.132 4.473 4.340 0.003 0.000 0.268 526 R C 1.192 177.240 176.300 -0.419 0.000 1.027 526 R CA 0.889 56.397 56.100 -0.987 0.000 1.163 526 R CB -0.046 29.630 30.300 -1.041 0.000 1.060 526 R HN 0.951 nan 8.270 nan 0.000 0.483 527 G N -0.027 108.579 108.800 -0.323 0.000 2.299 527 G HA2 -0.251 3.711 3.960 0.003 0.000 0.237 527 G HA3 -0.251 3.711 3.960 0.003 0.000 0.237 527 G C 0.529 175.480 174.900 0.084 0.000 1.027 527 G CA -0.119 44.931 45.100 -0.084 0.000 0.619 527 G HN 0.899 nan 8.290 nan 0.000 0.513 528 G N -0.498 108.398 108.800 0.160 0.000 2.588 528 G HA2 0.562 4.523 3.960 0.003 0.000 0.278 528 G HA3 0.562 4.523 3.960 0.003 0.000 0.278 528 G C 1.037 176.144 174.900 0.344 0.000 1.307 528 G CA 0.231 45.493 45.100 0.270 0.000 1.016 528 G HN 1.315 nan 8.290 nan 0.000 0.503 529 G N -1.491 107.431 108.800 0.205 0.000 3.393 529 G HA2 0.263 4.224 3.960 0.003 0.000 0.255 529 G HA3 0.263 4.224 3.960 0.003 0.000 0.255 529 G C 0.950 175.884 174.900 0.056 0.000 1.097 529 G CA 0.120 45.301 45.100 0.135 0.000 0.780 529 G HN 0.539 nan 8.290 nan 0.000 0.540 530 E N 0.000 120.183 120.200 -0.029 0.000 2.153 530 E HA -0.088 4.264 4.350 0.003 0.000 0.194 530 E C 0.278 176.483 176.600 -0.658 0.000 0.988 530 E CA 0.994 57.160 56.400 -0.389 0.000 0.811 530 E CB -0.114 29.272 29.700 -0.524 0.000 0.746 530 E HN 0.577 nan 8.360 nan 0.000 0.466 531 Y N -0.368 119.686 120.300 -0.410 0.000 2.699 531 Y HA 0.410 4.962 4.550 0.003 0.000 0.282 531 Y C 0.873 176.780 175.900 0.011 0.000 1.058 531 Y CA -0.064 57.871 58.100 -0.275 0.000 1.194 531 Y CB 0.719 38.864 38.460 -0.526 0.000 1.193 531 Y HN 0.104 nan 8.280 nan 0.000 0.562 532 G N 0.240 109.130 108.800 0.151 0.000 2.598 532 G HA2 -0.325 3.637 3.960 0.003 0.000 0.244 532 G HA3 -0.325 3.637 3.960 0.003 0.000 0.244 532 G C 0.518 175.559 174.900 0.235 0.000 1.302 532 G CA 0.198 45.397 45.100 0.165 0.000 0.903 532 G HN 0.261 nan 8.290 nan 0.000 0.575 533 D N 0.263 120.775 120.400 0.186 0.000 2.178 533 D HA 0.108 4.750 4.640 0.003 0.000 0.202 533 D C 2.760 179.173 176.300 0.187 0.000 0.974 533 D CA 2.039 56.157 54.000 0.197 0.000 0.841 533 D CB -0.652 40.228 40.800 0.133 0.000 0.953 533 D HN 0.856 nan 8.370 nan 0.000 0.478 534 A N 0.490 123.417 122.820 0.179 0.000 1.972 534 A HA -0.171 4.151 4.320 0.003 0.000 0.219 534 A C 2.127 179.839 177.584 0.213 0.000 1.169 534 A CA 0.870 52.998 52.037 0.152 0.000 0.635 534 A CB -1.043 18.042 19.000 0.141 0.000 0.810 534 A HN 0.414 nan 8.150 nan 0.000 0.446 535 W N -0.291 121.063 121.300 0.091 0.000 2.381 535 W HA -0.166 4.496 4.660 0.003 0.000 0.301 535 W C 2.176 178.759 176.519 0.108 0.000 1.205 535 W CA 1.672 59.080 57.345 0.106 0.000 1.285 535 W CB -0.473 29.096 29.460 0.183 0.000 1.133 535 W HN 0.715 nan 8.180 nan 0.000 0.521 536 H N 0.111 119.276 119.070 0.158 0.000 2.293 536 H HA -0.189 4.369 4.556 0.003 0.000 0.300 536 H C 1.676 176.948 175.328 -0.093 0.000 1.082 536 H CA 1.892 57.946 56.048 0.009 0.000 1.308 536 H CB -0.183 29.605 29.762 0.043 0.000 1.375 536 H HN -0.065 nan 8.280 nan 0.000 0.495 537 D N 0.525 120.846 120.400 -0.131 0.000 2.178 537 D HA -0.098 4.543 4.640 0.003 0.000 0.201 537 D C 2.007 178.190 176.300 -0.195 0.000 0.980 537 D CA 1.062 54.924 54.000 -0.230 0.000 0.842 537 D CB -0.383 40.342 40.800 -0.125 0.000 0.948 537 D HN 0.496 nan 8.370 nan 0.000 0.472 538 A N 0.036 122.751 122.820 -0.175 0.000 2.209 538 A HA 0.206 4.528 4.320 0.003 0.000 0.212 538 A C 1.737 179.138 177.584 -0.306 0.000 1.158 538 A CA 1.236 53.134 52.037 -0.231 0.000 0.742 538 A CB -0.074 18.770 19.000 -0.260 0.000 0.790 538 A HN 0.232 nan 8.150 nan 0.000 0.472 539 G N -0.053 108.563 108.800 -0.306 0.000 4.543 539 G HA2 0.464 4.426 3.960 0.003 0.000 0.286 539 G HA3 0.464 4.426 3.960 0.003 0.000 0.286 539 G C 0.018 174.730 174.900 -0.314 0.000 1.112 539 G CA -0.137 44.760 45.100 -0.338 0.000 0.870 539 G HN 0.655 nan 8.290 nan 0.000 0.540 540 R N -1.516 118.812 120.500 -0.286 0.000 2.817 540 R HA 0.768 5.110 4.340 0.003 0.000 0.268 540 R C 0.540 176.729 176.300 -0.186 0.000 1.027 540 R CA -0.818 55.121 56.100 -0.269 0.000 0.928 540 R CB 1.277 31.368 30.300 -0.349 0.000 1.228 540 R HN -0.084 nan 8.270 nan 0.000 0.469 541 R N -0.108 120.325 120.500 -0.111 0.000 3.934 541 R HA -0.212 4.130 4.340 0.003 0.000 0.384 541 R C 0.681 176.971 176.300 -0.017 0.000 0.241 541 R CA 1.973 58.055 56.100 -0.031 0.000 1.241 541 R CB -2.023 28.252 30.300 -0.041 0.000 0.999 541 R HN 0.955 nan 8.270 nan 0.000 0.562 542 D N 1.591 121.978 120.400 -0.022 0.000 2.264 542 D HA -0.034 4.608 4.640 0.003 0.000 0.208 542 D C 1.133 177.398 176.300 -0.058 0.000 0.966 542 D CA 1.226 55.217 54.000 -0.015 0.000 0.864 542 D CB -0.048 40.743 40.800 -0.015 0.000 0.933 542 D HN 0.344 nan 8.370 nan 0.000 0.499 543 K N 0.195 120.526 120.400 -0.114 0.000 2.410 543 K HA 0.068 4.389 4.320 0.003 0.000 0.200 543 K C 1.479 177.913 176.600 -0.276 0.000 1.023 543 K CA -0.148 56.036 56.287 -0.172 0.000 1.149 543 K CB 0.596 32.992 32.500 -0.174 0.000 0.859 543 K HN -0.155 nan 8.250 nan 0.000 0.514 544 K N 2.025 122.242 120.400 -0.305 0.000 2.152 544 K HA -0.233 4.088 4.320 0.003 0.000 0.206 544 K C 2.078 178.142 176.600 -0.895 0.000 1.048 544 K CA 1.511 57.457 56.287 -0.568 0.000 0.933 544 K CB -0.019 32.157 32.500 -0.541 0.000 0.721 544 K HN -0.013 nan 8.250 nan 0.000 0.447 545 Q N 0.678 120.126 119.800 -0.587 0.000 2.234 545 Q HA -0.109 4.233 4.340 0.003 0.000 0.206 545 Q C 1.304 177.087 176.000 -0.361 0.000 0.980 545 Q CA 1.674 57.209 55.803 -0.446 0.000 0.869 545 Q CB -0.350 28.328 28.738 -0.098 0.000 0.912 545 Q HN 0.380 nan 8.270 nan 0.000 0.436 546 N N -0.690 117.811 118.700 -0.332 0.000 2.137 546 N HA -0.142 4.599 4.740 0.003 0.000 0.190 546 N C 1.549 176.894 175.510 -0.276 0.000 1.017 546 N CA 1.485 54.381 53.050 -0.257 0.000 0.859 546 N CB -0.338 37.988 38.487 -0.268 0.000 1.002 546 N HN 0.173 nan 8.380 nan 0.000 0.428 547 V N 0.801 120.443 119.914 -0.454 0.000 2.343 547 V HA -0.195 3.927 4.120 0.003 0.000 0.247 547 V C 1.843 177.871 176.094 -0.110 0.000 1.051 547 V CA 1.352 63.426 62.300 -0.377 0.000 1.036 547 V CB -0.642 30.826 31.823 -0.590 0.000 0.654 547 V HN 0.090 nan 8.190 nan 0.000 0.451 548 F N 0.528 120.399 119.950 -0.132 0.000 2.163 548 F HA -0.045 4.484 4.527 0.003 0.000 0.297 548 F C 2.290 178.117 175.800 0.045 0.000 1.094 548 F CA 0.728 58.695 58.000 -0.054 0.000 1.290 548 F CB -1.206 37.720 39.000 -0.124 0.000 1.017 548 F HN 0.216 nan 8.300 nan 0.000 0.483 549 D N 0.337 120.832 120.400 0.158 0.000 2.117 549 D HA -0.149 4.493 4.640 0.003 0.000 0.197 549 D C 1.767 178.160 176.300 0.154 0.000 0.987 549 D CA 1.358 55.432 54.000 0.124 0.000 0.829 549 D CB -0.449 40.380 40.800 0.049 0.000 0.961 549 D HN 0.190 nan 8.370 nan 0.000 0.460 550 D N -0.306 120.177 120.400 0.138 0.000 2.144 550 D HA -0.143 4.499 4.640 0.003 0.000 0.199 550 D C 1.770 178.278 176.300 0.347 0.000 0.984 550 D CA 0.491 54.623 54.000 0.220 0.000 0.834 550 D CB -0.359 40.514 40.800 0.121 0.000 0.955 550 D HN 0.182 nan 8.370 nan 0.000 0.465 551 F N 0.819 120.849 119.950 0.132 0.000 2.234 551 F HA 0.057 4.586 4.527 0.003 0.000 0.296 551 F C 2.161 178.032 175.800 0.119 0.000 1.089 551 F CA 0.513 58.577 58.000 0.107 0.000 1.343 551 F CB -0.173 38.870 39.000 0.071 0.000 1.040 551 F HN -0.153 nan 8.300 nan 0.000 0.498 552 I N 0.003 120.701 120.570 0.212 0.000 2.179 552 I HA -0.322 3.849 4.170 0.003 0.000 0.242 552 I C 2.610 178.731 176.117 0.006 0.000 1.088 552 I CA 1.327 62.696 61.300 0.116 0.000 1.357 552 I CB -0.757 37.329 38.000 0.144 0.000 1.051 552 I HN 0.177 nan 8.210 nan 0.000 0.409 553 A N 0.514 123.375 122.820 0.069 0.000 1.972 553 A HA -0.160 4.162 4.320 0.003 0.000 0.219 553 A C 2.500 179.968 177.584 -0.194 0.000 1.169 553 A CA 1.741 53.814 52.037 0.060 0.000 0.635 553 A CB -0.733 18.421 19.000 0.256 0.000 0.810 553 A HN 0.453 nan 8.150 nan 0.000 0.446 554 A N -0.329 122.254 122.820 -0.396 0.000 1.877 554 A HA 0.120 4.442 4.320 0.003 0.000 0.216 554 A C 2.446 179.799 177.584 -0.385 0.000 1.186 554 A CA 1.923 53.501 52.037 -0.765 0.000 0.620 554 A CB -1.456 17.227 19.000 -0.528 0.000 0.822 554 A HN 0.730 nan 8.150 nan 0.000 0.443 555 G N -0.448 108.169 108.800 -0.304 0.000 2.440 555 G HA2 -0.245 3.716 3.960 0.003 0.000 0.218 555 G HA3 -0.245 3.716 3.960 0.003 0.000 0.218 555 G C 1.422 176.228 174.900 -0.156 0.000 1.154 555 G CA 1.070 46.052 45.100 -0.198 0.000 0.767 555 G HN 0.666 nan 8.290 nan 0.000 0.552 556 E N -0.855 119.261 120.200 -0.140 0.000 2.077 556 E HA -0.167 4.184 4.350 0.003 0.000 0.193 556 E C 2.059 178.611 176.600 -0.081 0.000 0.989 556 E CA 0.882 57.215 56.400 -0.112 0.000 0.800 556 E CB -0.225 29.431 29.700 -0.073 0.000 0.746 556 E HN 0.663 nan 8.360 nan 0.000 0.452 557 W N 1.295 122.453 121.300 -0.237 0.000 2.381 557 W HA -0.122 4.539 4.660 0.003 0.000 0.301 557 W C 1.771 178.182 176.519 -0.180 0.000 1.205 557 W CA 1.158 58.378 57.345 -0.209 0.000 1.285 557 W CB -0.094 29.171 29.460 -0.325 0.000 1.133 557 W HN -0.040 nan 8.180 nan 0.000 0.521 558 L N 0.026 121.321 121.223 0.121 0.000 2.093 558 L HA -0.220 4.122 4.340 0.003 0.000 0.208 558 L C 2.293 179.083 176.870 -0.133 0.000 1.085 558 L CA 1.250 56.124 54.840 0.057 0.000 0.755 558 L CB -0.721 41.362 42.059 0.040 0.000 0.904 558 L HN 0.029 nan 8.230 nan 0.000 0.435 559 I N -0.314 120.164 120.570 -0.153 0.000 2.286 559 I HA -0.209 3.962 4.170 0.003 0.000 0.245 559 I C 2.735 178.718 176.117 -0.224 0.000 1.104 559 I CA 1.053 62.249 61.300 -0.174 0.000 1.397 559 I CB -0.431 37.466 38.000 -0.172 0.000 1.072 559 I HN 0.157 nan 8.210 nan 0.000 0.417 560 A N 0.437 123.090 122.820 -0.278 0.000 2.015 560 A HA -0.112 4.209 4.320 0.003 0.000 0.219 560 A C 1.773 179.117 177.584 -0.400 0.000 1.163 560 A CA 1.382 53.234 52.037 -0.308 0.000 0.646 560 A CB -0.432 18.384 19.000 -0.307 0.000 0.806 560 A HN 0.446 nan 8.150 nan 0.000 0.448 561 N N -1.000 117.352 118.700 -0.579 0.000 2.214 561 N HA 0.193 4.934 4.740 0.003 0.000 0.214 561 N C 0.894 176.174 175.510 -0.384 0.000 1.132 561 N CA 0.746 53.400 53.050 -0.659 0.000 0.856 561 N CB 0.706 38.330 38.487 -1.437 0.000 1.020 561 N HN 0.564 nan 8.380 nan 0.000 0.509 562 G N 0.594 109.236 108.800 -0.263 0.000 2.148 562 G HA2 -0.283 3.679 3.960 0.003 0.000 0.254 562 G HA3 -0.283 3.679 3.960 0.003 0.000 0.254 562 G C 0.954 175.792 174.900 -0.103 0.000 0.981 562 G CA 0.508 45.514 45.100 -0.156 0.000 0.670 562 G HN 0.236 nan 8.290 nan 0.000 0.528 563 V N -0.154 119.703 119.914 -0.094 0.000 2.591 563 V HA 0.142 4.264 4.120 0.003 0.000 0.249 563 V C 1.496 177.583 176.094 -0.012 0.000 1.053 563 V CA 2.249 64.538 62.300 -0.017 0.000 1.068 563 V CB 0.076 31.929 31.823 0.050 0.000 0.689 563 V HN 0.517 nan 8.190 nan 0.000 0.462 564 T N 0.579 115.111 114.554 -0.036 0.000 2.916 564 T HA 0.455 4.807 4.350 0.003 0.000 0.298 564 T C -2.822 171.848 174.700 -0.049 0.000 1.031 564 T CA -1.062 61.027 62.100 -0.018 0.000 0.993 564 T CB 2.399 71.261 68.868 -0.010 0.000 1.045 564 T HN -0.041 nan 8.240 nan 0.000 0.454 565 P HA 0.259 nan 4.420 nan 0.000 0.269 565 P C 0.812 178.051 177.300 -0.103 0.000 1.215 565 P CA -0.505 62.562 63.100 -0.055 0.000 0.780 565 P CB 0.722 32.414 31.700 -0.014 0.000 0.898 566 R N 1.830 122.220 120.500 -0.184 0.000 2.119 566 R HA -0.200 4.142 4.340 0.003 0.000 0.246 566 R C 1.153 177.180 176.300 -0.454 0.000 1.146 566 R CA 2.040 57.923 56.100 -0.361 0.000 0.962 566 R CB -0.885 29.118 30.300 -0.495 0.000 0.863 566 R HN 0.560 nan 8.270 nan 0.000 0.442 567 H N -2.174 116.888 119.070 -0.013 0.000 2.488 567 H HA 0.351 4.909 4.556 0.003 0.000 0.294 567 H C 0.426 175.782 175.328 0.046 0.000 1.088 567 H CA 0.556 56.611 56.048 0.012 0.000 1.086 567 H CB 0.620 30.390 29.762 0.014 0.000 1.569 567 H HN 0.385 nan 8.280 nan 0.000 0.548 568 G N 0.728 109.586 108.800 0.097 0.000 3.774 568 G HA2 0.152 4.114 3.960 0.003 0.000 0.287 568 G HA3 0.152 4.114 3.960 0.003 0.000 0.287 568 G C -0.211 174.777 174.900 0.146 0.000 1.030 568 G CA -0.129 45.046 45.100 0.125 0.000 0.824 568 G HN 0.098 nan 8.290 nan 0.000 0.518 569 L N 2.085 123.386 121.223 0.131 0.000 2.264 569 L HA 0.815 5.157 4.340 0.003 0.000 0.289 569 L C 0.088 177.089 176.870 0.217 0.000 1.044 569 L CA -0.920 54.010 54.840 0.150 0.000 0.807 569 L CB 1.011 43.134 42.059 0.107 0.000 1.192 569 L HN 0.060 nan 8.230 nan 0.000 0.425 570 A N 6.444 129.366 122.820 0.170 0.000 2.340 570 A HA 0.857 5.179 4.320 0.003 0.000 0.331 570 A C -0.716 176.891 177.584 0.038 0.000 1.140 570 A CA -0.626 51.490 52.037 0.132 0.000 0.801 570 A CB 0.921 19.980 19.000 0.098 0.000 1.234 570 A HN 0.784 nan 8.150 nan 0.000 0.469 571 I N -1.479 119.095 120.570 0.007 0.000 2.689 571 I HA 0.842 5.014 4.170 0.003 0.000 0.299 571 I C -0.648 175.488 176.117 0.032 0.000 1.059 571 I CA -0.598 60.696 61.300 -0.011 0.000 1.055 571 I CB 2.157 40.064 38.000 -0.155 0.000 1.243 571 I HN 0.734 nan 8.210 nan 0.000 0.425 572 E N 2.743 123.002 120.200 0.098 0.000 2.367 572 E HA 0.822 5.174 4.350 0.003 0.000 0.273 572 E C -1.156 175.469 176.600 0.042 0.000 0.903 572 E CA -0.955 55.523 56.400 0.132 0.000 0.764 572 E CB 2.672 32.538 29.700 0.277 0.000 1.252 572 E HN 1.081 nan 8.360 nan 0.000 0.446 573 G N 0.378 109.175 108.800 -0.004 0.000 2.579 573 G HA2 0.563 4.525 3.960 0.003 0.000 0.292 573 G HA3 0.563 4.525 3.960 0.003 0.000 0.292 573 G C -1.320 173.566 174.900 -0.023 0.000 1.484 573 G CA -0.247 44.758 45.100 -0.159 0.000 0.813 573 G HN 0.572 nan 8.290 nan 0.000 0.515 574 G N -0.623 108.197 108.800 0.033 0.000 2.617 574 G HA2 0.724 4.685 3.960 0.003 0.000 0.306 574 G HA3 0.724 4.685 3.960 0.003 0.000 0.306 574 G C 0.223 175.134 174.900 0.020 0.000 1.360 574 G CA 0.924 46.055 45.100 0.052 0.000 0.983 574 G HN 1.754 nan 8.290 nan 0.000 0.496 575 S N 1.157 116.811 115.700 -0.077 0.000 4.142 575 S HA -0.352 4.120 4.470 0.003 0.000 0.624 575 S C 1.889 176.300 174.600 -0.315 0.000 1.892 575 S CA 1.367 59.468 58.200 -0.165 0.000 4.236 575 S CB -1.312 61.840 63.200 -0.081 0.000 0.204 575 S HN 1.140 nan 8.310 nan 0.000 0.486 576 N N 1.926 120.363 118.700 -0.438 0.000 2.192 576 N HA -0.063 4.678 4.740 0.003 0.000 0.188 576 N C 1.593 176.758 175.510 -0.575 0.000 1.013 576 N CA 2.468 55.200 53.050 -0.530 0.000 0.863 576 N CB -0.895 37.200 38.487 -0.654 0.000 0.990 576 N HN 0.636 nan 8.380 nan 0.000 0.430 577 G N -1.117 107.335 108.800 -0.580 0.000 2.443 577 G HA2 -0.102 3.859 3.960 0.003 0.000 0.219 577 G HA3 -0.102 3.859 3.960 0.003 0.000 0.219 577 G C 1.429 176.134 174.900 -0.324 0.000 1.131 577 G CA 0.640 45.501 45.100 -0.399 0.000 0.775 577 G HN 0.448 nan 8.290 nan 0.000 0.547 578 G N 0.899 109.543 108.800 -0.260 0.000 2.403 578 G HA2 -0.068 3.894 3.960 0.003 0.000 0.216 578 G HA3 -0.068 3.894 3.960 0.003 0.000 0.216 578 G C 1.707 176.411 174.900 -0.326 0.000 1.154 578 G CA 0.927 45.874 45.100 -0.256 0.000 0.784 578 G HN 0.425 nan 8.290 nan 0.000 0.538 579 L N 0.547 121.569 121.223 -0.334 0.000 2.012 579 L HA -0.015 4.326 4.340 0.003 0.000 0.210 579 L C 2.502 179.148 176.870 -0.373 0.000 1.073 579 L CA 1.933 56.575 54.840 -0.330 0.000 0.748 579 L CB -0.678 41.217 42.059 -0.274 0.000 0.891 579 L HN 0.188 nan 8.230 nan 0.000 0.431 580 L N -0.418 120.599 121.223 -0.342 0.000 1.990 580 L HA -0.230 4.112 4.340 0.003 0.000 0.213 580 L C 2.377 178.966 176.870 -0.469 0.000 1.072 580 L CA 1.980 56.586 54.840 -0.390 0.000 0.755 580 L CB -0.752 41.023 42.059 -0.473 0.000 0.889 580 L HN 0.300 nan 8.230 nan 0.000 0.432 581 I N 0.186 120.512 120.570 -0.406 0.000 2.226 581 I HA -0.167 4.004 4.170 0.003 0.000 0.245 581 I C 2.643 178.590 176.117 -0.283 0.000 1.100 581 I CA 1.440 62.548 61.300 -0.319 0.000 1.374 581 I CB -2.390 35.465 38.000 -0.242 0.000 1.057 581 I HN 0.435 nan 8.210 nan 0.000 0.413 582 G N 0.542 109.147 108.800 -0.326 0.000 2.418 582 G HA2 -0.174 3.787 3.960 0.003 0.000 0.217 582 G HA3 -0.174 3.787 3.960 0.003 0.000 0.217 582 G C 1.845 176.607 174.900 -0.229 0.000 1.158 582 G CA 1.028 45.952 45.100 -0.293 0.000 0.771 582 G HN 0.497 nan 8.290 nan 0.000 0.545 583 A N 0.494 123.059 122.820 -0.425 0.000 1.872 583 A HA 0.119 4.441 4.320 0.003 0.000 0.214 583 A C 2.671 180.030 177.584 -0.376 0.000 1.187 583 A CA 2.251 53.971 52.037 -0.529 0.000 0.614 583 A CB -0.791 17.430 19.000 -1.299 0.000 0.826 583 A HN 0.885 nan 8.150 nan 0.000 0.442 584 V N -2.861 116.850 119.914 -0.338 0.000 2.667 584 V HA -0.115 4.007 4.120 0.003 0.000 0.252 584 V C 2.060 178.194 176.094 0.067 0.000 1.065 584 V CA 2.545 64.816 62.300 -0.049 0.000 1.083 584 V CB -1.600 30.299 31.823 0.127 0.000 0.692 584 V HN 0.381 nan 8.190 nan 0.000 0.468 585 T N 1.421 115.940 114.554 -0.057 0.000 2.777 585 T HA -0.111 4.240 4.350 0.003 0.000 0.266 585 T C 1.876 176.477 174.700 -0.164 0.000 1.040 585 T CA 1.978 64.057 62.100 -0.036 0.000 1.141 585 T CB -0.478 68.379 68.868 -0.018 0.000 0.868 585 T HN 0.552 nan 8.240 nan 0.000 0.444 586 N N 1.311 119.977 118.700 -0.058 0.000 2.142 586 N HA -0.051 4.690 4.740 0.003 0.000 0.186 586 N C 2.044 177.531 175.510 -0.039 0.000 1.023 586 N CA 1.078 54.124 53.050 -0.007 0.000 0.852 586 N CB -0.235 38.312 38.487 0.101 0.000 0.998 586 N HN 0.549 nan 8.380 nan 0.000 0.424 587 Q N -0.383 119.406 119.800 -0.018 0.000 2.137 587 Q HA 0.120 4.462 4.340 0.003 0.000 0.198 587 Q C 0.156 176.153 176.000 -0.004 0.000 0.960 587 Q CA 0.811 56.620 55.803 0.009 0.000 0.847 587 Q CB 0.442 29.198 28.738 0.029 0.000 0.915 587 Q HN 0.050 nan 8.270 nan 0.000 0.448 588 R N 0.196 120.701 120.500 0.007 0.000 2.674 588 R HA 0.182 4.523 4.340 0.003 0.000 0.270 588 R C -2.233 174.014 176.300 -0.088 0.000 1.492 588 R CA -1.474 54.595 56.100 -0.053 0.000 1.624 588 R CB 0.690 30.941 30.300 -0.082 0.000 1.307 588 R HN 0.129 nan 8.270 nan 0.000 0.683 589 P HA -0.166 nan 4.420 nan 0.000 0.220 589 P C 0.691 177.926 177.300 -0.108 0.000 1.148 589 P CA 1.201 64.184 63.100 -0.194 0.000 0.803 589 P CB 0.266 31.667 31.700 -0.499 0.000 0.782 590 D N -0.376 119.949 120.400 -0.125 0.000 2.310 590 D HA -0.130 4.512 4.640 0.003 0.000 0.212 590 D C 1.809 177.997 176.300 -0.187 0.000 0.965 590 D CA 0.510 54.452 54.000 -0.096 0.000 0.879 590 D CB -0.808 39.949 40.800 -0.072 0.000 0.921 590 D HN 0.122 nan 8.370 nan 0.000 0.510 591 L N -0.621 120.337 121.223 -0.442 0.000 2.341 591 L HA 0.204 4.546 4.340 0.003 0.000 0.214 591 L C -0.255 176.174 176.870 -0.735 0.000 1.115 591 L CA 0.600 55.002 54.840 -0.731 0.000 0.820 591 L CB -0.221 41.150 42.059 -1.147 0.000 0.944 591 L HN -0.194 nan 8.230 nan 0.000 0.452 592 F N -1.584 118.362 119.950 -0.007 0.000 2.482 592 F HA 0.556 5.085 4.527 0.003 0.000 0.331 592 F C 1.101 176.940 175.800 0.066 0.000 1.115 592 F CA -0.515 57.496 58.000 0.018 0.000 0.955 592 F CB 0.972 39.977 39.000 0.008 0.000 1.136 592 F HN -0.173 nan 8.300 nan 0.000 0.452 593 A N 2.271 125.250 122.820 0.265 0.000 1.970 593 A HA 0.591 4.913 4.320 0.003 0.000 0.216 593 A C 0.853 178.567 177.584 0.216 0.000 1.170 593 A CA 1.222 53.397 52.037 0.230 0.000 0.645 593 A CB -0.197 18.946 19.000 0.240 0.000 0.816 593 A HN 0.866 nan 8.150 nan 0.000 0.447 594 A N -2.263 120.706 122.820 0.250 0.000 2.606 594 A HA 0.754 5.076 4.320 0.003 0.000 0.293 594 A C -0.738 176.980 177.584 0.224 0.000 1.082 594 A CA 0.047 52.228 52.037 0.240 0.000 0.685 594 A CB 0.688 19.867 19.000 0.298 0.000 1.284 594 A HN 1.658 nan 8.150 nan 0.000 0.408 595 A N -0.099 122.859 122.820 0.231 0.000 2.549 595 A HA 0.851 5.173 4.320 0.003 0.000 0.297 595 A C -0.617 177.056 177.584 0.148 0.000 1.061 595 A CA 0.027 52.138 52.037 0.122 0.000 0.690 595 A CB 1.601 20.620 19.000 0.031 0.000 1.287 595 A HN 1.864 nan 8.150 nan 0.000 0.402 596 S N 2.698 118.450 115.700 0.086 0.000 2.652 596 S HA 0.643 5.114 4.470 0.003 0.000 0.252 596 S C -3.074 171.542 174.600 0.025 0.000 1.219 596 S CA -1.178 57.058 58.200 0.061 0.000 1.151 596 S CB 1.081 64.330 63.200 0.082 0.000 1.080 596 S HN 0.507 nan 8.310 nan 0.000 0.481 597 P HA 0.386 nan 4.420 nan 0.000 0.287 597 P C -0.951 176.330 177.300 -0.032 0.000 1.294 597 P CA -0.345 62.721 63.100 -0.058 0.000 0.776 597 P CB 1.070 32.693 31.700 -0.127 0.000 0.889 598 A N 4.410 127.220 122.820 -0.017 0.000 2.301 598 A HA 0.476 4.798 4.320 0.003 0.000 0.298 598 A C 0.871 178.433 177.584 -0.038 0.000 1.185 598 A CA -0.411 51.625 52.037 -0.003 0.000 0.830 598 A CB 0.057 19.079 19.000 0.037 0.000 1.112 598 A HN 0.742 nan 8.150 nan 0.000 0.508 599 V N 0.101 119.992 119.914 -0.037 0.000 5.359 599 V HA -0.205 3.917 4.120 0.003 0.000 0.278 599 V C 0.538 176.563 176.094 -0.116 0.000 0.622 599 V CA 0.637 62.903 62.300 -0.057 0.000 0.649 599 V CB -2.423 29.384 31.823 -0.027 0.000 0.408 599 V HN 1.883 nan 8.190 nan 0.000 0.918 600 G N -0.199 108.505 108.800 -0.160 0.000 2.444 600 G HA2 0.545 4.507 3.960 0.003 0.000 0.268 600 G HA3 0.545 4.507 3.960 0.003 0.000 0.268 600 G C -0.131 174.570 174.900 -0.332 0.000 1.203 600 G CA -0.218 44.730 45.100 -0.253 0.000 0.835 600 G HN 1.298 nan 8.290 nan 0.000 0.543 601 V N 4.185 123.848 119.914 -0.418 0.000 2.287 601 V HA 0.015 4.137 4.120 0.003 0.000 0.246 601 V C 0.896 176.735 176.094 -0.425 0.000 1.165 601 V CA -0.161 61.776 62.300 -0.606 0.000 1.088 601 V CB 0.450 31.995 31.823 -0.464 0.000 1.242 601 V HN 0.664 nan 8.190 nan 0.000 0.497 602 M N 0.722 120.146 119.600 -0.294 0.000 2.486 602 M HA 0.199 4.681 4.480 0.003 0.000 0.264 602 M C 0.813 177.185 176.300 0.121 0.000 1.125 602 M CA 0.636 55.860 55.300 -0.128 0.000 1.144 602 M CB -0.367 32.111 32.600 -0.203 0.000 1.353 602 M HN 0.488 nan 8.290 nan 0.000 0.466 603 D N 1.152 121.775 120.400 0.371 0.000 2.485 603 D HA 0.192 4.834 4.640 0.003 0.000 0.221 603 D C 0.597 177.163 176.300 0.443 0.000 1.112 603 D CA -0.023 54.214 54.000 0.394 0.000 0.911 603 D CB 0.778 41.722 40.800 0.239 0.000 1.019 603 D HN -0.043 nan 8.370 nan 0.000 0.516 604 M N 2.957 122.724 119.600 0.278 0.000 2.618 604 M HA 0.063 4.544 4.480 0.003 0.000 0.240 604 M C 1.440 177.896 176.300 0.260 0.000 1.123 604 M CA 0.343 55.771 55.300 0.213 0.000 1.060 604 M CB -0.047 32.462 32.600 -0.152 0.000 1.535 604 M HN 0.454 nan 8.290 nan 0.000 0.507 605 L N -1.074 120.257 121.223 0.179 0.000 2.416 605 L HA 0.002 4.344 4.340 0.003 0.000 0.216 605 L C 1.636 178.568 176.870 0.103 0.000 1.098 605 L CA 0.507 55.378 54.840 0.052 0.000 0.840 605 L CB -0.106 41.895 42.059 -0.097 0.000 0.981 605 L HN 0.245 nan 8.230 nan 0.000 0.462 606 R N -0.703 119.920 120.500 0.205 0.000 2.565 606 R HA 0.104 4.445 4.340 0.003 0.000 0.347 606 R C 1.668 178.076 176.300 0.180 0.000 1.010 606 R CA -0.143 56.024 56.100 0.110 0.000 1.126 606 R CB 0.290 30.701 30.300 0.184 0.000 1.331 606 R HN 0.225 nan 8.270 nan 0.000 0.552 607 F N 1.483 121.663 119.950 0.383 0.000 2.216 607 F HA -0.117 4.412 4.527 0.003 0.000 0.300 607 F C 1.604 177.603 175.800 0.332 0.000 1.085 607 F CA 1.069 59.403 58.000 0.557 0.000 1.326 607 F CB -0.293 39.042 39.000 0.559 0.000 1.027 607 F HN -0.080 nan 8.300 nan 0.000 0.497 608 D N -0.070 119.896 120.400 -0.723 0.000 2.349 608 D HA -0.113 4.528 4.640 0.003 0.000 0.224 608 D C 1.223 177.310 176.300 -0.355 0.000 1.029 608 D CA 0.328 54.023 54.000 -0.509 0.000 0.879 608 D CB -0.597 39.791 40.800 -0.687 0.000 0.906 608 D HN 0.483 nan 8.370 nan 0.000 0.528 609 Q N -0.413 119.111 119.800 -0.459 0.000 2.425 609 Q HA 0.126 4.468 4.340 0.003 0.000 0.204 609 Q C -0.237 175.289 176.000 -0.790 0.000 0.933 609 Q CA 0.300 55.695 55.803 -0.681 0.000 0.939 609 Q CB 0.243 28.392 28.738 -0.982 0.000 1.044 609 Q HN 0.329 nan 8.270 nan 0.000 0.513 610 F N 0.133 120.038 119.950 -0.076 0.000 2.556 610 F HA 0.189 4.717 4.527 0.002 0.000 0.327 610 F C 1.756 177.506 175.800 -0.083 0.000 1.059 610 F CA -0.514 57.450 58.000 -0.061 0.000 0.953 610 F CB 0.697 39.678 39.000 -0.031 0.000 1.227 610 F HN -0.004 nan 8.300 nan 0.000 0.478 611 T N 0.118 114.760 114.554 0.147 0.000 1.694 611 T HA -0.451 3.900 4.350 0.003 0.000 0.107 611 T C 1.344 176.039 174.700 -0.008 0.000 1.851 611 T CA 2.148 64.283 62.100 0.057 0.000 0.800 611 T CB -1.374 67.531 68.868 0.062 0.000 0.771 611 T HN 0.981 nan 8.240 nan 0.000 0.400 612 A N 1.007 123.787 122.820 -0.066 0.000 2.390 612 A HA 0.677 4.998 4.320 0.003 0.000 0.232 612 A C 2.421 179.725 177.584 -0.466 0.000 1.233 612 A CA 0.981 52.951 52.037 -0.113 0.000 0.907 612 A CB -0.490 18.456 19.000 -0.089 0.000 0.967 612 A HN 1.131 nan 8.150 nan 0.000 0.512 613 G N -0.013 108.433 108.800 -0.589 0.000 2.484 613 G HA2 -0.149 3.812 3.960 0.003 0.000 0.218 613 G HA3 -0.149 3.812 3.960 0.003 0.000 0.218 613 G C 1.514 176.175 174.900 -0.398 0.000 1.130 613 G CA 0.826 45.322 45.100 -1.007 0.000 0.784 613 G HN 0.422 nan 8.290 nan 0.000 0.543 614 R N 0.011 120.340 120.500 -0.285 0.000 2.200 614 R HA -0.067 4.274 4.340 0.003 0.000 0.234 614 R C 1.747 177.907 176.300 -0.234 0.000 1.127 614 R CA 0.837 56.799 56.100 -0.230 0.000 0.989 614 R CB -0.791 29.327 30.300 -0.303 0.000 0.869 614 R HN 0.476 nan 8.270 nan 0.000 0.459 615 Y N -1.830 118.375 120.300 -0.158 0.000 2.509 615 Y HA -0.145 4.407 4.550 0.002 0.000 0.293 615 Y C 1.183 177.181 175.900 0.163 0.000 1.133 615 Y CA 0.735 58.816 58.100 -0.031 0.000 1.283 615 Y CB -0.115 38.311 38.460 -0.057 0.000 1.001 615 Y HN 0.123 nan 8.280 nan 0.000 0.555 616 W N -0.782 120.672 121.300 0.257 0.000 3.180 616 W HA 0.076 4.738 4.660 0.003 0.000 0.254 616 W C 2.139 178.665 176.519 0.012 0.000 1.318 616 W CA 0.448 57.870 57.345 0.128 0.000 1.608 616 W CB -1.225 28.223 29.460 -0.021 0.000 1.124 616 W HN -0.003 nan 8.180 nan 0.000 0.694 617 V N -1.399 118.689 119.914 0.289 0.000 2.568 617 V HA -0.263 3.859 4.120 0.003 0.000 0.253 617 V C 1.742 177.765 176.094 -0.118 0.000 1.072 617 V CA 2.305 64.595 62.300 -0.017 0.000 1.084 617 V CB -0.624 30.873 31.823 -0.544 0.000 0.676 617 V HN -0.116 nan 8.190 nan 0.000 0.469 618 D N 0.569 120.976 120.400 0.011 0.000 2.178 618 D HA -0.105 4.537 4.640 0.003 0.000 0.201 618 D C 1.754 177.992 176.300 -0.103 0.000 0.980 618 D CA 1.744 55.752 54.000 0.013 0.000 0.842 618 D CB -0.115 40.749 40.800 0.106 0.000 0.948 618 D HN 0.612 nan 8.370 nan 0.000 0.472 619 D N -1.805 118.443 120.400 -0.254 0.000 2.323 619 D HA -0.015 4.626 4.640 0.003 0.000 0.218 619 D C 1.289 177.478 176.300 -0.186 0.000 0.973 619 D CA 0.442 54.171 54.000 -0.453 0.000 0.890 619 D CB 0.182 40.261 40.800 -1.201 0.000 1.011 619 D HN 0.172 nan 8.370 nan 0.000 0.499 620 Y N 0.241 120.457 120.300 -0.140 0.000 2.503 620 Y HA 0.387 4.939 4.550 0.003 0.000 0.278 620 Y C 1.621 177.527 175.900 0.011 0.000 1.111 620 Y CA 0.431 58.473 58.100 -0.097 0.000 1.270 620 Y CB -0.069 38.221 38.460 -0.284 0.000 1.063 620 Y HN -0.057 nan 8.280 nan 0.000 0.548 621 G N -0.430 108.449 108.800 0.131 0.000 2.610 621 G HA2 -0.216 3.746 3.960 0.003 0.000 0.304 621 G HA3 -0.216 3.746 3.960 0.003 0.000 0.304 621 G C -1.519 173.385 174.900 0.006 0.000 1.309 621 G CA -0.956 44.193 45.100 0.082 0.000 0.906 621 G HN 0.063 nan 8.290 nan 0.000 0.521 622 Y N 0.517 120.949 120.300 0.220 0.000 2.345 622 Y HA 0.494 5.046 4.550 0.003 0.000 0.331 622 Y C -1.383 174.626 175.900 0.183 0.000 0.959 622 Y CA -1.738 56.471 58.100 0.182 0.000 1.204 622 Y CB 2.254 40.785 38.460 0.118 0.000 1.135 622 Y HN 0.276 nan 8.280 nan 0.000 0.477 623 P HA -0.208 nan 4.420 nan 0.000 0.219 623 P C 1.254 178.813 177.300 0.431 0.000 1.146 623 P CA 1.449 64.749 63.100 0.334 0.000 0.808 623 P CB 0.376 32.182 31.700 0.176 0.000 0.779 624 E N 0.428 120.818 120.200 0.317 0.000 2.418 624 E HA -0.131 4.221 4.350 0.003 0.000 0.197 624 E C 0.649 177.465 176.600 0.360 0.000 1.026 624 E CA 0.633 57.217 56.400 0.307 0.000 0.862 624 E CB -0.341 29.462 29.700 0.171 0.000 0.799 624 E HN 0.220 nan 8.360 nan 0.000 0.518 625 K N 1.605 122.166 120.400 0.268 0.000 2.234 625 K HA 0.050 4.372 4.320 0.003 0.000 0.277 625 K C 0.851 177.361 176.600 -0.149 0.000 1.038 625 K CA -0.243 56.106 56.287 0.103 0.000 0.888 625 K CB 1.371 33.930 32.500 0.099 0.000 1.091 625 K HN -0.062 nan 8.250 nan 0.000 0.467 626 E N 3.722 123.613 120.200 -0.515 0.000 2.033 626 E HA -0.291 4.061 4.350 0.003 0.000 0.199 626 E C 1.481 177.802 176.600 -0.464 0.000 1.011 626 E CA 2.004 57.701 56.400 -1.173 0.000 0.815 626 E CB -0.090 29.114 29.700 -0.826 0.000 0.755 626 E HN 0.804 nan 8.360 nan 0.000 0.451 627 A N 0.861 123.557 122.820 -0.206 0.000 1.908 627 A HA -0.232 4.089 4.320 0.003 0.000 0.218 627 A C 1.814 179.397 177.584 -0.000 0.000 1.181 627 A CA 2.065 54.061 52.037 -0.069 0.000 0.627 627 A CB -0.604 18.375 19.000 -0.036 0.000 0.818 627 A HN 0.341 nan 8.150 nan 0.000 0.445 628 D N -1.832 118.591 120.400 0.038 0.000 2.149 628 D HA -0.130 4.512 4.640 0.003 0.000 0.201 628 D C 1.509 177.868 176.300 0.099 0.000 0.972 628 D CA 0.933 54.993 54.000 0.101 0.000 0.835 628 D CB -0.428 40.487 40.800 0.192 0.000 0.966 628 D HN 0.743 nan 8.370 nan 0.000 0.476 629 W N 1.852 123.103 121.300 -0.082 0.000 2.338 629 W HA -0.151 4.510 4.660 0.003 0.000 0.304 629 W C 2.215 178.684 176.519 -0.083 0.000 1.212 629 W CA 1.414 58.722 57.345 -0.061 0.000 1.264 629 W CB 0.083 29.526 29.460 -0.028 0.000 1.142 629 W HN -0.153 nan 8.180 nan 0.000 0.512 630 R N -0.525 120.083 120.500 0.180 0.000 2.092 630 R HA -0.138 4.203 4.340 0.003 0.000 0.231 630 R C 1.992 178.233 176.300 -0.099 0.000 1.119 630 R CA 1.672 57.817 56.100 0.075 0.000 0.970 630 R CB -0.963 29.417 30.300 0.133 0.000 0.864 630 R HN 0.169 nan 8.270 nan 0.000 0.440 631 V N 1.592 121.470 119.914 -0.061 0.000 2.295 631 V HA -0.237 3.885 4.120 0.003 0.000 0.246 631 V C 2.280 178.254 176.094 -0.199 0.000 1.049 631 V CA 1.679 63.956 62.300 -0.039 0.000 1.024 631 V CB -0.348 31.494 31.823 0.032 0.000 0.648 631 V HN 0.267 nan 8.190 nan 0.000 0.447 632 L N -0.413 120.589 121.223 -0.368 0.000 2.093 632 L HA -0.149 4.193 4.340 0.003 0.000 0.208 632 L C 2.689 179.076 176.870 -0.805 0.000 1.085 632 L CA 1.480 55.888 54.840 -0.721 0.000 0.755 632 L CB -0.553 41.222 42.059 -0.474 0.000 0.904 632 L HN 0.248 nan 8.230 nan 0.000 0.435 633 R N 0.770 120.804 120.500 -0.776 0.000 2.152 633 R HA -0.129 4.212 4.340 0.003 0.000 0.232 633 R C 2.189 178.264 176.300 -0.375 0.000 1.117 633 R CA 1.385 57.038 56.100 -0.746 0.000 0.981 633 R CB -0.289 29.354 30.300 -1.094 0.000 0.870 633 R HN 0.206 nan 8.270 nan 0.000 0.451 634 R N -1.051 119.295 120.500 -0.258 0.000 2.189 634 R HA -0.113 4.229 4.340 0.003 0.000 0.223 634 R C 0.939 177.273 176.300 0.057 0.000 1.092 634 R CA 1.638 57.707 56.100 -0.051 0.000 0.989 634 R CB -0.093 30.232 30.300 0.041 0.000 0.876 634 R HN 0.534 nan 8.270 nan 0.000 0.457 635 Y N -3.750 116.532 120.300 -0.030 0.000 2.499 635 Y HA 0.350 4.902 4.550 0.003 0.000 0.253 635 Y C 0.255 176.123 175.900 -0.054 0.000 1.105 635 Y CA -0.914 57.177 58.100 -0.015 0.000 1.240 635 Y CB -0.117 38.413 38.460 0.118 0.000 1.289 635 Y HN -0.241 nan 8.280 nan 0.000 0.534 636 S N 4.249 119.827 115.700 -0.204 0.000 2.887 636 S HA 0.046 4.518 4.470 0.003 0.000 0.337 636 S C -1.413 173.249 174.600 0.103 0.000 1.209 636 S CA -0.698 57.479 58.200 -0.038 0.000 1.186 636 S CB 0.447 63.685 63.200 0.063 0.000 0.925 636 S HN 0.252 nan 8.310 nan 0.000 0.522 637 P HA -0.153 nan 4.420 nan 0.000 0.216 637 P C 1.007 178.453 177.300 0.243 0.000 1.150 637 P CA 1.031 64.181 63.100 0.083 0.000 0.843 637 P CB -0.078 31.539 31.700 -0.139 0.000 0.787 638 Y N -0.236 120.112 120.300 0.080 0.000 2.293 638 Y HA -0.189 4.363 4.550 0.003 0.000 0.291 638 Y C 1.664 177.477 175.900 -0.144 0.000 1.137 638 Y CA 1.722 59.822 58.100 -0.000 0.000 1.202 638 Y CB -0.891 37.486 38.460 -0.139 0.000 0.990 638 Y HN 0.142 nan 8.280 nan 0.000 0.537 639 H N -1.367 117.702 119.070 -0.002 0.000 2.551 639 H HA 0.230 4.788 4.556 0.003 0.000 0.271 639 H C 0.713 176.010 175.328 -0.052 0.000 0.984 639 H CA 0.526 56.508 56.048 -0.110 0.000 1.164 639 H CB 0.139 29.864 29.762 -0.061 0.000 1.437 639 H HN 0.252 nan 8.280 nan 0.000 0.550 640 N N 0.543 119.291 118.700 0.080 0.000 2.238 640 N HA 0.077 4.819 4.740 0.003 0.000 0.235 640 N C -0.632 174.940 175.510 0.104 0.000 1.209 640 N CA 0.089 53.190 53.050 0.086 0.000 0.879 640 N CB 1.632 40.172 38.487 0.090 0.000 1.136 640 N HN -0.008 nan 8.380 nan 0.000 0.517 641 V N 1.832 121.782 119.914 0.060 0.000 2.585 641 V HA 0.060 4.182 4.120 0.003 0.000 0.296 641 V C 0.695 176.805 176.094 0.028 0.000 1.035 641 V CA 0.193 62.513 62.300 0.033 0.000 1.084 641 V CB 0.315 32.051 31.823 -0.146 0.000 0.953 641 V HN 0.070 nan 8.190 nan 0.000 0.483 642 R N 3.409 123.972 120.500 0.104 0.000 2.275 642 R HA 0.396 4.737 4.340 0.003 0.000 0.326 642 R C 0.209 176.541 176.300 0.053 0.000 0.973 642 R CA -0.190 55.977 56.100 0.111 0.000 0.854 642 R CB 1.285 31.706 30.300 0.202 0.000 1.156 642 R HN 0.870 nan 8.270 nan 0.000 0.487 643 S N 0.900 116.606 115.700 0.010 0.000 2.593 643 S HA 0.446 4.918 4.470 0.003 0.000 0.269 643 S C 1.238 175.864 174.600 0.043 0.000 1.334 643 S CA 0.219 58.419 58.200 -0.000 0.000 1.015 643 S CB 1.457 64.655 63.200 -0.005 0.000 0.912 643 S HN 0.890 nan 8.310 nan 0.000 0.541 644 G N -0.174 108.654 108.800 0.046 0.000 2.175 644 G HA2 -0.189 3.773 3.960 0.003 0.000 0.244 644 G HA3 -0.189 3.773 3.960 0.003 0.000 0.244 644 G C -0.115 174.836 174.900 0.084 0.000 0.982 644 G CA 0.000 45.136 45.100 0.059 0.000 0.641 644 G HN 1.198 nan 8.290 nan 0.000 0.527 645 V N 1.377 121.368 119.914 0.128 0.000 2.540 645 V HA 0.471 4.592 4.120 0.003 0.000 0.302 645 V C -0.601 175.641 176.094 0.246 0.000 1.035 645 V CA -1.141 61.263 62.300 0.173 0.000 0.873 645 V CB 1.885 33.838 31.823 0.216 0.000 0.992 645 V HN 0.216 nan 8.190 nan 0.000 0.428 646 D N 3.441 123.956 120.400 0.192 0.000 2.371 646 D HA 0.230 4.871 4.640 0.003 0.000 0.256 646 D C -0.516 175.961 176.300 0.294 0.000 1.193 646 D CA 0.407 54.538 54.000 0.219 0.000 0.881 646 D CB 0.587 41.466 40.800 0.131 0.000 1.143 646 D HN 0.320 nan 8.370 nan 0.000 0.473 647 Y N 2.400 122.765 120.300 0.109 0.000 2.354 647 Y HA 0.274 4.825 4.550 0.003 0.000 0.322 647 Y C -1.565 174.440 175.900 0.175 0.000 1.253 647 Y CA -2.434 55.727 58.100 0.103 0.000 1.272 647 Y CB 0.357 38.790 38.460 -0.045 0.000 1.255 647 Y HN 0.239 nan 8.280 nan 0.000 0.500 648 P HA 0.122 nan 4.420 nan 0.000 0.271 648 P C -1.129 176.315 177.300 0.239 0.000 1.244 648 P CA -0.401 62.819 63.100 0.200 0.000 0.793 648 P CB 0.355 32.177 31.700 0.204 0.000 0.984 649 A N 1.405 124.212 122.820 -0.021 0.000 2.477 649 A HA 0.400 4.722 4.320 0.003 0.000 0.246 649 A C 0.119 177.896 177.584 0.322 0.000 1.078 649 A CA 0.174 52.127 52.037 -0.141 0.000 0.770 649 A CB -0.815 17.472 19.000 -1.188 0.000 1.011 649 A HN 0.442 nan 8.150 nan 0.000 0.494 650 I N 2.143 123.005 120.570 0.486 0.000 2.534 650 I HA 0.288 4.460 4.170 0.003 0.000 0.288 650 I C -1.164 174.986 176.117 0.055 0.000 1.077 650 I CA -0.563 60.929 61.300 0.321 0.000 1.051 650 I CB 2.067 40.213 38.000 0.244 0.000 1.234 650 I HN 0.517 nan 8.210 nan 0.000 0.425 651 L N 8.257 129.369 121.223 -0.184 0.000 2.366 651 L HA 0.490 4.831 4.340 0.003 0.000 0.266 651 L C -0.635 176.159 176.870 -0.126 0.000 1.010 651 L CA -0.434 54.152 54.840 -0.423 0.000 0.879 651 L CB 1.361 42.862 42.059 -0.930 0.000 1.228 651 L HN 0.291 nan 8.230 nan 0.000 0.439 652 V N 3.272 123.169 119.914 -0.029 0.000 2.572 652 V HA 0.470 4.592 4.120 0.003 0.000 0.291 652 V C 0.675 176.786 176.094 0.028 0.000 1.039 652 V CA 0.088 62.418 62.300 0.049 0.000 1.055 652 V CB 0.962 32.870 31.823 0.141 0.000 0.969 652 V HN 0.865 nan 8.190 nan 0.000 0.482 653 T N 0.816 115.390 114.554 0.033 0.000 2.876 653 T HA 0.766 5.118 4.350 0.003 0.000 0.289 653 T C -0.506 174.224 174.700 0.051 0.000 1.014 653 T CA -0.582 61.543 62.100 0.041 0.000 0.986 653 T CB 1.971 70.855 68.868 0.028 0.000 1.021 653 T HN 0.875 nan 8.240 nan 0.000 0.458 654 T N 0.257 114.856 114.554 0.075 0.000 2.827 654 T HA 0.640 4.991 4.350 0.003 0.000 0.328 654 T C -0.937 173.817 174.700 0.091 0.000 1.598 654 T CA -0.111 62.026 62.100 0.062 0.000 1.043 654 T CB 1.044 69.933 68.868 0.036 0.000 1.447 654 T HN 1.274 nan 8.240 nan 0.000 0.491 655 A N 1.428 124.288 122.820 0.066 0.000 2.272 655 A HA 0.547 4.869 4.320 0.003 0.000 0.275 655 A C 1.235 178.896 177.584 0.127 0.000 1.096 655 A CA 0.355 52.443 52.037 0.086 0.000 0.822 655 A CB 0.167 19.201 19.000 0.056 0.000 1.088 655 A HN 0.953 nan 8.150 nan 0.000 0.495 656 D N -0.734 119.766 120.400 0.167 0.000 2.323 656 D HA -0.023 4.618 4.640 0.003 0.000 0.209 656 D C 0.582 176.984 176.300 0.169 0.000 0.973 656 D CA 1.363 55.529 54.000 0.277 0.000 0.874 656 D CB -0.433 40.515 40.800 0.248 0.000 0.930 656 D HN 0.526 nan 8.370 nan 0.000 0.521 657 T N -2.773 111.831 114.554 0.083 0.000 2.907 657 T HA 0.552 4.904 4.350 0.003 0.000 0.292 657 T C -1.309 173.396 174.700 0.009 0.000 1.043 657 T CA -0.956 61.162 62.100 0.032 0.000 1.003 657 T CB 2.921 71.815 68.868 0.043 0.000 1.084 657 T HN -0.044 nan 8.240 nan 0.000 0.483 658 D N 0.461 120.854 120.400 -0.011 0.000 2.726 658 D HA 0.177 4.819 4.640 0.003 0.000 0.203 658 D C -0.425 175.880 176.300 0.009 0.000 1.297 658 D CA -0.331 53.668 54.000 -0.002 0.000 0.863 658 D CB 2.025 42.815 40.800 -0.017 0.000 1.669 658 D HN 0.483 nan 8.370 nan 0.000 0.561 659 D N 1.883 122.299 120.400 0.027 0.000 2.277 659 D HA -0.032 4.610 4.640 0.003 0.000 0.208 659 D C 1.608 177.946 176.300 0.063 0.000 0.962 659 D CA 0.499 54.522 54.000 0.037 0.000 0.865 659 D CB 0.714 41.533 40.800 0.033 0.000 0.939 659 D HN 0.402 nan 8.370 nan 0.000 0.510 660 R N 0.128 120.680 120.500 0.086 0.000 2.051 660 R HA 0.077 4.419 4.340 0.003 0.000 0.218 660 R C 0.138 176.602 176.300 0.273 0.000 1.188 660 R CA 0.588 56.783 56.100 0.159 0.000 0.992 660 R CB 0.397 30.780 30.300 0.138 0.000 0.883 660 R HN -0.157 nan 8.270 nan 0.000 0.444 661 V N 3.663 123.706 119.914 0.214 0.000 2.334 661 V HA 0.214 4.336 4.120 0.003 0.000 0.281 661 V C -0.157 176.000 176.094 0.105 0.000 1.016 661 V CA -0.984 61.470 62.300 0.257 0.000 0.832 661 V CB 1.253 33.154 31.823 0.131 0.000 0.999 661 V HN 0.210 nan 8.190 nan 0.000 0.439 662 V N 4.150 124.106 119.914 0.071 0.000 2.763 662 V HA 0.189 4.311 4.120 0.003 0.000 0.306 662 V C -1.415 174.503 176.094 -0.293 0.000 1.059 662 V CA -0.686 61.508 62.300 -0.176 0.000 1.138 662 V CB 0.417 31.988 31.823 -0.421 0.000 0.940 662 V HN 0.652 nan 8.190 nan 0.000 0.489 663 P HA 0.047 nan 4.420 nan 0.000 0.223 663 P C 1.695 178.316 177.300 -1.131 0.000 1.151 663 P CA 1.503 64.151 63.100 -0.753 0.000 0.787 663 P CB -0.044 31.114 31.700 -0.903 0.000 0.788 664 G N -0.215 108.030 108.800 -0.924 0.000 2.507 664 G HA2 -0.301 3.661 3.960 0.003 0.000 0.221 664 G HA3 -0.301 3.661 3.960 0.003 0.000 0.221 664 G C 1.448 175.989 174.900 -0.599 0.000 1.119 664 G CA 0.828 45.476 45.100 -0.753 0.000 0.751 664 G HN 0.321 nan 8.290 nan 0.000 0.574 665 H N 0.665 119.445 119.070 -0.482 0.000 2.289 665 H HA -0.065 4.493 4.556 0.003 0.000 0.296 665 H C 3.028 178.212 175.328 -0.241 0.000 1.091 665 H CA 1.702 57.553 56.048 -0.327 0.000 1.274 665 H CB -0.462 29.165 29.762 -0.225 0.000 1.364 665 H HN 0.331 nan 8.280 nan 0.000 0.490 666 S N 0.524 116.171 115.700 -0.087 0.000 2.383 666 S HA -0.097 4.374 4.470 0.003 0.000 0.227 666 S C 2.002 176.711 174.600 0.182 0.000 1.026 666 S CA 0.734 58.961 58.200 0.045 0.000 0.981 666 S CB -0.207 63.014 63.200 0.035 0.000 0.818 666 S HN 0.183 nan 8.310 nan 0.000 0.472 667 F N 1.965 121.845 119.950 -0.117 0.000 2.102 667 F HA 0.019 4.547 4.527 0.002 0.000 0.298 667 F C 2.208 177.728 175.800 -0.467 0.000 1.105 667 F CA 0.665 58.501 58.000 -0.273 0.000 1.239 667 F CB -0.985 37.691 39.000 -0.541 0.000 0.991 667 F HN 0.170 nan 8.300 nan 0.000 0.474 668 K N -1.036 119.186 120.400 -0.298 0.000 2.097 668 K HA -0.212 4.109 4.320 0.003 0.000 0.205 668 K C 2.074 178.550 176.600 -0.207 0.000 1.050 668 K CA 1.351 57.378 56.287 -0.433 0.000 0.938 668 K CB -0.676 31.371 32.500 -0.754 0.000 0.718 668 K HN 0.251 nan 8.250 nan 0.000 0.442 669 Y N 2.315 122.503 120.300 -0.186 0.000 2.181 669 Y HA -0.237 4.315 4.550 0.003 0.000 0.288 669 Y C 2.228 178.057 175.900 -0.118 0.000 1.146 669 Y CA 1.737 59.818 58.100 -0.033 0.000 1.164 669 Y CB -0.484 37.960 38.460 -0.027 0.000 0.982 669 Y HN -0.056 nan 8.280 nan 0.000 0.515 670 T N 0.735 115.206 114.554 -0.137 0.000 2.746 670 T HA -0.180 4.172 4.350 0.003 0.000 0.267 670 T C 2.141 176.623 174.700 -0.362 0.000 1.039 670 T CA 1.470 63.435 62.100 -0.225 0.000 1.142 670 T CB -0.805 68.104 68.868 0.068 0.000 0.866 670 T HN 0.493 nan 8.240 nan 0.000 0.444 671 A N 1.513 124.070 122.820 -0.438 0.000 1.908 671 A HA 0.072 4.394 4.320 0.003 0.000 0.218 671 A C 2.637 179.570 177.584 -1.086 0.000 1.181 671 A CA 1.978 53.518 52.037 -0.828 0.000 0.627 671 A CB -1.134 16.961 19.000 -1.509 0.000 0.818 671 A HN 0.516 nan 8.150 nan 0.000 0.445 672 A N -0.259 121.979 122.820 -0.971 0.000 1.877 672 A HA -0.041 4.281 4.320 0.003 0.000 0.216 672 A C 2.187 179.490 177.584 -0.469 0.000 1.186 672 A CA 1.508 53.162 52.037 -0.639 0.000 0.620 672 A CB -0.645 18.193 19.000 -0.271 0.000 0.822 672 A HN 0.475 nan 8.150 nan 0.000 0.443 673 L N -0.961 119.921 121.223 -0.568 0.000 2.046 673 L HA -0.259 4.083 4.340 0.003 0.000 0.208 673 L C 2.885 179.506 176.870 -0.416 0.000 1.077 673 L CA 1.693 56.187 54.840 -0.577 0.000 0.747 673 L CB -0.609 41.039 42.059 -0.684 0.000 0.896 673 L HN 0.492 nan 8.230 nan 0.000 0.432 674 Q N -0.943 118.579 119.800 -0.465 0.000 2.172 674 Q HA -0.129 4.212 4.340 0.003 0.000 0.200 674 Q C 2.102 177.993 176.000 -0.181 0.000 0.964 674 Q CA 1.687 57.168 55.803 -0.537 0.000 0.855 674 Q CB -0.008 28.208 28.738 -0.870 0.000 0.918 674 Q HN 0.468 nan 8.270 nan 0.000 0.444 675 T N 0.686 115.149 114.554 -0.152 0.000 2.942 675 T HA 0.085 4.437 4.350 0.003 0.000 0.265 675 T C 0.698 175.417 174.700 0.032 0.000 1.062 675 T CA 0.515 62.635 62.100 0.032 0.000 1.139 675 T CB -0.007 68.972 68.868 0.184 0.000 0.883 675 T HN 0.274 nan 8.240 nan 0.000 0.468 676 A N 1.120 123.903 122.820 -0.062 0.000 2.366 676 A HA 0.677 4.999 4.320 0.003 0.000 0.249 676 A C 0.610 178.169 177.584 -0.041 0.000 1.084 676 A CA -0.319 51.673 52.037 -0.075 0.000 0.794 676 A CB 0.073 18.951 19.000 -0.205 0.000 1.034 676 A HN 0.399 nan 8.150 nan 0.000 0.491 677 A N 1.658 124.464 122.820 -0.024 0.000 2.922 677 A HA 0.500 4.822 4.320 0.003 0.000 0.298 677 A C 0.393 177.975 177.584 -0.003 0.000 1.588 677 A CA -0.101 51.942 52.037 0.010 0.000 1.288 677 A CB -1.193 17.822 19.000 0.025 0.000 1.130 677 A HN 1.230 nan 8.150 nan 0.000 0.557 678 I N -0.859 119.712 120.570 0.002 0.000 3.491 678 I HA 0.596 4.767 4.170 0.003 0.000 0.332 678 I C 0.522 176.751 176.117 0.186 0.000 1.565 678 I CA -0.047 61.256 61.300 0.005 0.000 1.050 678 I CB -0.074 37.685 38.000 -0.401 0.000 1.348 678 I HN 0.712 nan 8.210 nan 0.000 0.506 679 G N 3.149 112.035 108.800 0.144 0.000 2.728 679 G HA2 -0.171 3.791 3.960 0.003 0.000 0.294 679 G HA3 -0.171 3.791 3.960 0.003 0.000 0.294 679 G C -2.236 172.724 174.900 0.101 0.000 1.342 679 G CA -0.118 45.060 45.100 0.130 0.000 0.866 679 G HN 0.228 nan 8.290 nan 0.000 0.534 680 P HA 0.163 nan 4.420 nan 0.000 0.251 680 P C 0.540 177.798 177.300 -0.070 0.000 1.223 680 P CA 0.412 63.512 63.100 -0.000 0.000 0.796 680 P CB 0.256 31.970 31.700 0.023 0.000 1.068 681 K N 1.559 121.879 120.400 -0.134 0.000 2.295 681 K HA 0.246 4.568 4.320 0.003 0.000 0.270 681 K C -2.302 173.969 176.600 -0.549 0.000 1.011 681 K CA -1.804 54.319 56.287 -0.274 0.000 0.953 681 K CB -0.245 32.105 32.500 -0.250 0.000 0.956 681 K HN 0.017 nan 8.250 nan 0.000 0.477 682 P HA 0.019 nan 4.420 nan 0.000 0.267 682 P C -1.220 175.969 177.300 -0.184 0.000 1.205 682 P CA 0.219 63.180 63.100 -0.232 0.000 0.765 682 P CB 0.301 31.885 31.700 -0.193 0.000 0.828 683 H N 2.398 121.557 119.070 0.147 0.000 2.786 683 H HA 0.443 5.000 4.556 0.003 0.000 0.284 683 H C -0.258 175.000 175.328 -0.117 0.000 1.104 683 H CA -0.605 55.429 56.048 -0.023 0.000 1.339 683 H CB 0.473 30.155 29.762 -0.134 0.000 1.427 683 H HN 0.194 nan 8.280 nan 0.000 0.497 684 L N 3.052 124.289 121.223 0.022 0.000 2.333 684 L HA 0.553 4.894 4.340 0.003 0.000 0.263 684 L C -0.675 176.162 176.870 -0.056 0.000 1.014 684 L CA -1.087 53.741 54.840 -0.019 0.000 0.820 684 L CB 2.840 44.887 42.059 -0.020 0.000 1.352 684 L HN 0.503 nan 8.230 nan 0.000 0.421 685 I N 1.834 122.378 120.570 -0.044 0.000 2.466 685 I HA 0.390 4.562 4.170 0.003 0.000 0.289 685 I C -0.639 175.475 176.117 -0.006 0.000 1.026 685 I CA -0.544 60.752 61.300 -0.006 0.000 1.078 685 I CB 1.661 39.697 38.000 0.060 0.000 1.249 685 I HN 0.641 nan 8.210 nan 0.000 0.429 686 R N 8.545 129.050 120.500 0.008 0.000 2.207 686 R HA 0.551 4.893 4.340 0.003 0.000 0.334 686 R C -1.520 174.814 176.300 0.057 0.000 1.013 686 R CA -0.471 55.641 56.100 0.021 0.000 0.858 686 R CB 0.708 31.013 30.300 0.008 0.000 1.094 686 R HN 0.634 nan 8.270 nan 0.000 0.457 687 I N 3.633 124.239 120.570 0.060 0.000 2.355 687 I HA 0.252 4.423 4.170 0.003 0.000 0.288 687 I C 0.223 176.387 176.117 0.079 0.000 0.999 687 I CA -0.581 60.781 61.300 0.104 0.000 1.163 687 I CB 1.840 39.908 38.000 0.114 0.000 1.316 687 I HN 0.615 nan 8.210 nan 0.000 0.454 699 I N 1.706 122.271 120.570 -0.008 0.000 2.361 699 I HA -0.132 4.039 4.170 0.003 0.000 0.251 699 I C 1.756 177.873 176.117 -0.001 0.000 1.133 699 I CA 2.036 63.332 61.300 -0.008 0.000 1.413 699 I CB -0.412 37.580 38.000 -0.013 0.000 1.073 699 I HN 0.213 nan 8.210 nan 0.000 0.424 700 D N 0.191 120.592 120.400 0.002 0.000 2.123 700 D HA -0.209 4.433 4.640 0.003 0.000 0.196 700 D C 1.920 178.227 176.300 0.011 0.000 0.992 700 D CA 1.056 55.061 54.000 0.007 0.000 0.833 700 D CB 0.213 41.017 40.800 0.007 0.000 0.954 700 D HN 0.288 nan 8.370 nan 0.000 0.455 701 K N 0.657 121.064 120.400 0.011 0.000 2.057 701 K HA -0.154 4.167 4.320 0.003 0.000 0.207 701 K C 2.121 178.730 176.600 0.014 0.000 1.049 701 K CA 0.605 56.900 56.287 0.015 0.000 0.931 701 K CB -0.532 31.977 32.500 0.015 0.000 0.714 701 K HN 0.376 nan 8.250 nan 0.000 0.440 702 Q N 0.755 120.559 119.800 0.007 0.000 2.079 702 Q HA -0.089 4.252 4.340 0.003 0.000 0.200 702 Q C 2.171 178.173 176.000 0.004 0.000 0.974 702 Q CA 0.994 56.798 55.803 0.001 0.000 0.840 702 Q CB -0.019 28.712 28.738 -0.012 0.000 0.898 702 Q HN 0.263 nan 8.270 nan 0.000 0.430 703 I N 0.780 121.355 120.570 0.008 0.000 2.226 703 I HA -0.287 3.885 4.170 0.003 0.000 0.245 703 I C 2.096 178.230 176.117 0.029 0.000 1.100 703 I CA 1.455 62.765 61.300 0.017 0.000 1.374 703 I CB -0.213 37.799 38.000 0.020 0.000 1.057 703 I HN 0.271 nan 8.210 nan 0.000 0.413 704 E N 0.376 120.593 120.200 0.028 0.000 2.077 704 E HA -0.275 4.076 4.350 0.003 0.000 0.193 704 E C 2.086 178.712 176.600 0.044 0.000 0.989 704 E CA 1.247 57.668 56.400 0.036 0.000 0.800 704 E CB -0.105 29.613 29.700 0.031 0.000 0.746 704 E HN 0.468 nan 8.360 nan 0.000 0.452 705 E N 0.297 120.520 120.200 0.037 0.000 2.051 705 E HA -0.169 4.183 4.350 0.003 0.000 0.192 705 E C 1.893 178.526 176.600 0.054 0.000 0.991 705 E CA 1.572 57.998 56.400 0.042 0.000 0.799 705 E CB 0.119 29.839 29.700 0.032 0.000 0.748 705 E HN 0.101 nan 8.360 nan 0.000 0.449 706 T N 0.579 115.160 114.554 0.044 0.000 2.708 706 T HA -0.143 4.209 4.350 0.003 0.000 0.266 706 T C 1.840 176.597 174.700 0.095 0.000 1.037 706 T CA 1.324 63.456 62.100 0.053 0.000 1.146 706 T CB -0.328 68.550 68.868 0.017 0.000 0.865 706 T HN 0.343 nan 8.240 nan 0.000 0.435 707 A N 1.864 124.735 122.820 0.086 0.000 1.902 707 A HA -0.168 4.154 4.320 0.003 0.000 0.217 707 A C 2.137 179.800 177.584 0.133 0.000 1.181 707 A CA 1.844 53.944 52.037 0.105 0.000 0.623 707 A CB -0.712 18.335 19.000 0.078 0.000 0.818 707 A HN 0.341 nan 8.150 nan 0.000 0.443 708 D N -0.324 120.147 120.400 0.118 0.000 2.084 708 D HA -0.112 4.529 4.640 0.003 0.000 0.194 708 D C 2.130 178.550 176.300 0.200 0.000 0.990 708 D CA 1.569 55.654 54.000 0.142 0.000 0.826 708 D CB -0.525 40.336 40.800 0.101 0.000 0.971 708 D HN 0.185 nan 8.370 nan 0.000 0.453 709 V N 0.809 120.822 119.914 0.164 0.000 2.261 709 V HA -0.250 3.871 4.120 0.003 0.000 0.246 709 V C 2.482 178.755 176.094 0.299 0.000 1.047 709 V CA 1.694 64.109 62.300 0.192 0.000 1.015 709 V CB -0.513 31.386 31.823 0.127 0.000 0.642 709 V HN 0.230 nan 8.190 nan 0.000 0.446 710 Q N -0.509 119.457 119.800 0.276 0.000 2.167 710 Q HA -0.129 4.213 4.340 0.003 0.000 0.202 710 Q C 2.408 178.666 176.000 0.431 0.000 0.970 710 Q CA 1.514 57.546 55.803 0.383 0.000 0.855 710 Q CB -0.362 28.616 28.738 0.400 0.000 0.911 710 Q HN 0.685 nan 8.270 nan 0.000 0.438 711 A N 0.623 123.638 122.820 0.325 0.000 1.902 711 A HA -0.207 4.115 4.320 0.003 0.000 0.217 711 A C 1.839 179.640 177.584 0.361 0.000 1.181 711 A CA 1.135 53.339 52.037 0.277 0.000 0.623 711 A CB -0.787 18.326 19.000 0.189 0.000 0.818 711 A HN 0.439 nan 8.150 nan 0.000 0.443 712 F N 0.679 120.799 119.950 0.282 0.000 2.075 712 F HA -0.164 4.364 4.527 0.003 0.000 0.297 712 F C 2.012 178.109 175.800 0.495 0.000 1.113 712 F CA 1.961 60.204 58.000 0.406 0.000 1.218 712 F CB -0.245 38.978 39.000 0.372 0.000 0.984 712 F HN 0.144 nan 8.300 nan 0.000 0.472 713 L N -0.070 121.536 121.223 0.638 0.000 2.042 713 L HA -0.227 4.115 4.340 0.003 0.000 0.210 713 L C 2.801 179.985 176.870 0.523 0.000 1.076 713 L CA 1.173 56.321 54.840 0.514 0.000 0.749 713 L CB -1.411 40.855 42.059 0.346 0.000 0.893 713 L HN 0.270 nan 8.230 nan 0.000 0.432 714 A N -0.401 122.756 122.820 0.562 0.000 1.902 714 A HA -0.302 4.019 4.320 0.003 0.000 0.217 714 A C 2.129 179.816 177.584 0.172 0.000 1.181 714 A CA 2.019 54.274 52.037 0.363 0.000 0.623 714 A CB -0.873 18.255 19.000 0.213 0.000 0.818 714 A HN 0.513 nan 8.150 nan 0.000 0.443 715 H N -1.624 117.448 119.070 0.002 0.000 2.352 715 H HA -0.120 4.438 4.556 0.003 0.000 0.299 715 H C 1.300 176.393 175.328 -0.391 0.000 1.097 715 H CA 2.186 58.075 56.048 -0.264 0.000 1.311 715 H CB -0.279 29.218 29.762 -0.442 0.000 1.377 715 H HN 0.457 nan 8.280 nan 0.000 0.504 716 F N -0.536 119.406 119.950 -0.012 0.000 2.789 716 F HA 0.071 4.599 4.527 0.003 0.000 0.300 716 F C 2.144 177.956 175.800 0.019 0.000 1.132 716 F CA 1.085 59.046 58.000 -0.065 0.000 1.404 716 F CB 0.075 39.020 39.000 -0.092 0.000 1.114 716 F HN 0.310 nan 8.300 nan 0.000 0.584 717 T N -4.192 110.479 114.554 0.196 0.000 3.054 717 T HA 0.410 4.762 4.350 0.003 0.000 0.255 717 T C 1.624 176.378 174.700 0.090 0.000 1.035 717 T CA 0.418 62.632 62.100 0.189 0.000 0.941 717 T CB 0.243 69.290 68.868 0.299 0.000 1.026 717 T HN 0.309 nan 8.240 nan 0.000 0.533 718 G N 1.280 110.080 108.800 -0.000 0.000 2.137 718 G HA2 -0.187 3.775 3.960 0.003 0.000 0.237 718 G HA3 -0.187 3.775 3.960 0.003 0.000 0.237 718 G C -0.220 174.653 174.900 -0.045 0.000 1.002 718 G CA 0.026 45.099 45.100 -0.046 0.000 0.702 718 G HN 0.708 nan 8.290 nan 0.000 0.515 719 L N 1.970 123.167 121.223 -0.043 0.000 2.313 719 L HA 0.675 5.017 4.340 0.003 0.000 0.282 719 L C 0.420 177.225 176.870 -0.107 0.000 1.092 719 L CA 0.089 54.856 54.840 -0.123 0.000 0.831 719 L CB 1.071 42.959 42.059 -0.284 0.000 1.159 719 L HN 0.075 nan 8.230 nan 0.000 0.442 720 T N 7.482 121.975 114.554 -0.101 0.000 2.753 720 T HA 0.374 4.726 4.350 0.003 0.000 0.297 720 T C -2.408 172.238 174.700 -0.089 0.000 0.981 720 T CA -0.960 61.096 62.100 -0.074 0.000 0.956 720 T CB 0.727 69.564 68.868 -0.053 0.000 0.936 720 T HN 0.461 nan 8.240 nan 0.000 0.463 721 P HA 0.209 nan 4.420 nan 0.000 0.262 721 P C -0.214 177.064 177.300 -0.037 0.000 1.199 721 P CA 0.064 63.117 63.100 -0.078 0.000 0.763 721 P CB 0.494 32.169 31.700 -0.042 0.000 0.790 722 R N 4.167 124.650 120.500 -0.029 0.000 2.673 722 R HA 0.494 4.836 4.340 0.003 0.000 0.281 722 R C -2.569 173.766 176.300 0.058 0.000 0.991 722 R CA -1.931 54.177 56.100 0.015 0.000 0.896 722 R CB 2.135 32.443 30.300 0.015 0.000 1.201 722 R HN 0.323 nan 8.270 nan 0.000 0.457 723 P HA 0.281 nan 4.420 nan 0.000 0.279 723 P C -1.354 176.085 177.300 0.231 0.000 1.252 723 P CA -0.431 62.750 63.100 0.135 0.000 0.811 723 P CB 0.982 32.739 31.700 0.095 0.000 1.035 724 W N 0.831 122.135 121.300 0.007 0.000 3.419 724 W HA 0.457 5.118 4.660 0.003 0.000 0.298 724 W C -1.721 174.787 176.519 -0.017 0.000 1.260 724 W CA -0.073 57.263 57.345 -0.015 0.000 1.199 724 W CB 1.471 30.905 29.460 -0.044 0.000 1.349 724 W HN 0.628 nan 8.180 nan 0.000 0.557 725 S N 1.305 116.518 115.700 -0.812 0.000 2.570 725 S HA 0.381 4.853 4.470 0.003 0.000 0.270 725 S C 0.348 174.056 174.600 -1.486 0.000 1.149 725 S CA -0.105 57.555 58.200 -0.900 0.000 0.837 725 S CB 1.230 64.237 63.200 -0.321 0.000 1.124 725 S HN 1.042 nan 8.310 nan 0.000 0.465 726 S N 1.040 116.115 115.700 -1.041 0.000 2.402 726 S HA -0.091 4.381 4.470 0.003 0.000 0.229 726 S C 1.729 176.106 174.600 -0.371 0.000 1.021 726 S CA 1.231 59.060 58.200 -0.617 0.000 0.974 726 S CB -0.947 62.132 63.200 -0.202 0.000 0.800 726 S HN 0.723 nan 8.310 nan 0.000 0.484 727 V N 3.012 122.750 119.914 -0.294 0.000 2.287 727 V HA -0.199 3.922 4.120 0.003 0.000 0.248 727 V C 2.439 178.410 176.094 -0.204 0.000 1.053 727 V CA 2.356 64.545 62.300 -0.185 0.000 1.027 727 V CB -0.782 30.967 31.823 -0.122 0.000 0.646 727 V HN 0.477 nan 8.190 nan 0.000 0.447 728 D N -0.589 119.637 120.400 -0.290 0.000 2.183 728 D HA -0.136 4.506 4.640 0.003 0.000 0.203 728 D C 2.134 178.292 176.300 -0.237 0.000 0.969 728 D CA 1.064 54.918 54.000 -0.243 0.000 0.842 728 D CB -0.177 40.478 40.800 -0.240 0.000 0.957 728 D HN 0.428 nan 8.370 nan 0.000 0.484 729 K N 0.804 120.992 120.400 -0.353 0.000 2.026 729 K HA -0.114 4.208 4.320 0.003 0.000 0.208 729 K C 2.115 178.677 176.600 -0.063 0.000 1.048 729 K CA 0.592 56.778 56.287 -0.169 0.000 0.929 729 K CB -0.116 32.305 32.500 -0.131 0.000 0.713 729 K HN 0.045 nan 8.250 nan 0.000 0.439 730 L N 0.984 122.157 121.223 -0.083 0.000 2.012 730 L HA -0.172 4.170 4.340 0.003 0.000 0.210 730 L C 2.318 179.179 176.870 -0.015 0.000 1.073 730 L CA 2.169 56.992 54.840 -0.029 0.000 0.748 730 L CB -1.113 40.921 42.059 -0.041 0.000 0.891 730 L HN 0.341 nan 8.230 nan 0.000 0.431 731 A N -0.059 122.733 122.820 -0.045 0.000 1.883 731 A HA -0.184 4.137 4.320 0.003 0.000 0.217 731 A C 2.503 180.070 177.584 -0.028 0.000 1.186 731 A CA 2.068 54.083 52.037 -0.036 0.000 0.624 731 A CB -0.930 18.038 19.000 -0.054 0.000 0.822 731 A HN 0.586 nan 8.150 nan 0.000 0.444 732 A N -0.134 122.665 122.820 -0.034 0.000 1.908 732 A HA 0.077 4.399 4.320 0.003 0.000 0.218 732 A C 2.527 180.126 177.584 0.025 0.000 1.181 732 A CA 2.427 54.447 52.037 -0.030 0.000 0.627 732 A CB -1.115 17.887 19.000 0.002 0.000 0.818 732 A HN 1.166 nan 8.150 nan 0.000 0.445 733 A N -0.950 121.928 122.820 0.096 0.000 1.933 733 A HA -0.041 4.280 4.320 0.003 0.000 0.218 733 A C 2.115 179.831 177.584 0.220 0.000 1.175 733 A CA 1.776 53.931 52.037 0.197 0.000 0.628 733 A CB -0.520 18.567 19.000 0.146 0.000 0.814 733 A HN 0.593 nan 8.150 nan 0.000 0.444 734 L N 0.022 121.334 121.223 0.148 0.000 2.156 734 L HA -0.052 4.290 4.340 0.003 0.000 0.208 734 L C 2.118 179.062 176.870 0.124 0.000 1.095 734 L CA 1.853 56.812 54.840 0.198 0.000 0.770 734 L CB -0.614 41.501 42.059 0.093 0.000 0.914 734 L HN 0.489 nan 8.230 nan 0.000 0.439 735 E N -1.151 119.037 120.200 -0.019 0.000 2.171 735 E HA -0.273 4.079 4.350 0.003 0.000 0.197 735 E C 1.917 178.432 176.600 -0.143 0.000 0.997 735 E CA 1.357 57.691 56.400 -0.111 0.000 0.810 735 E CB -0.220 29.349 29.700 -0.219 0.000 0.738 735 E HN 0.649 nan 8.360 nan 0.000 0.467 736 H N -0.224 118.800 119.070 -0.075 0.000 2.421 736 H HA -0.053 4.504 4.556 0.003 0.000 0.298 736 H C 1.032 176.236 175.328 -0.207 0.000 1.087 736 H CA 0.920 56.866 56.048 -0.170 0.000 1.330 736 H CB -0.046 29.557 29.762 -0.265 0.000 1.388 736 H HN 0.292 nan 8.280 nan 0.000 0.526 737 H N -0.191 118.941 119.070 0.103 0.000 3.109 737 H HA 0.172 4.730 4.556 0.003 0.000 0.298 737 H C 0.857 176.201 175.328 0.026 0.000 1.248 737 H CA 0.708 56.789 56.048 0.055 0.000 1.204 737 H CB -0.856 28.931 29.762 0.041 0.000 1.367 737 H HN 0.615 nan 8.280 nan 0.000 0.592 738 H N 0.000 119.116 119.070 0.077 0.000 2.539 738 H HA 0.000 4.558 4.556 0.003 0.000 0.296 738 H CA 0.000 56.075 56.048 0.044 0.000 1.023 738 H CB 0.000 nan 29.762 nan 0.000 1.292 738 H HN 0.000 nan 8.280 nan 0.000 0.496