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 3oo3_1_A DATA FIRST_RESID 3 DATA SEQUENCE LPLPHQRLRL DPVPEFEELQ KAGPLHEYDT EXXXXXXKQW LVTGHDEVRA DATA SEQUENCE ILADHERFSS MRPVDXXXXX ALLPGILQAY DPPDHTRLRR TVAPAYSARR DATA SEQUENCE MERLRPRIEE IVEECLDDFE SVGAPVDFVR HAAWPIPAYI ACEFLGVPRD DATA SEQUENCE DQAELSRMIR ESRESRLPRQ RTLSGLGIVN YTKRLTSGKR RDPGDGMIGV DATA SEQUENCE IVREHGAEIS DEELAGLAEG NLIMAAEQMA AQLAVAVLLL VTHPDQMALL DATA SEQUENCE REKPELIDSA TEEVLRHASI VEAPAPRVAL ADVRMAGRDI HAGDVLTCSM DATA SEQUENCE LATNRAPGDR FDITREKATH MAFGHGIHHC IGAPLARLQL RVALPAVVGR DATA SEQUENCE FPSLRLAVPE EDLRFKPGRP APFAVEELPL EW 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.918 176.870 0.080 0.000 1.165 3 L CA 0.000 54.870 54.840 0.049 0.000 0.813 3 L CB 0.000 42.087 42.059 0.046 0.000 0.961 4 P HA 0.143 nan 4.420 nan 0.000 0.268 4 P C 0.844 178.164 177.300 0.033 0.000 1.208 4 P CA -0.411 62.807 63.100 0.197 0.000 0.777 4 P CB 0.654 32.531 31.700 0.295 0.000 0.875 5 L N 5.106 126.298 121.223 -0.051 0.000 2.051 5 L HA -0.125 4.216 4.340 0.001 0.000 0.214 5 L C -0.821 175.558 176.870 -0.819 0.000 1.076 5 L CA 2.390 57.012 54.840 -0.365 0.000 0.758 5 L CB -1.847 39.952 42.059 -0.433 0.000 0.890 5 L HN 0.477 nan 8.230 nan 0.000 0.433 6 P HA -0.122 nan 4.420 nan 0.000 0.239 6 P C 0.383 177.120 177.300 -0.938 0.000 1.184 6 P CA 1.390 63.670 63.100 -1.366 0.000 0.760 6 P CB -0.144 30.986 31.700 -0.949 0.000 0.884 7 H N -1.463 117.394 119.070 -0.354 0.000 2.674 7 H HA 0.292 4.849 4.556 0.001 0.000 0.274 7 H C 0.445 175.690 175.328 -0.138 0.000 1.121 7 H CA -0.219 55.719 56.048 -0.183 0.000 1.132 7 H CB 0.656 30.369 29.762 -0.082 0.000 1.606 7 H HN 0.306 nan 8.280 nan 0.000 0.558 8 Q N 1.286 121.013 119.800 -0.120 0.000 2.235 8 Q HA 0.456 4.797 4.340 0.001 0.000 0.250 8 Q C 0.044 175.985 176.000 -0.098 0.000 0.909 8 Q CA -0.189 55.573 55.803 -0.069 0.000 0.910 8 Q CB 1.883 30.576 28.738 -0.074 0.000 1.223 8 Q HN 0.181 nan 8.270 nan 0.000 0.432 9 R N 1.425 121.888 120.500 -0.063 0.000 2.837 9 R HA 0.504 4.845 4.340 0.001 0.000 0.271 9 R C -1.421 174.837 176.300 -0.070 0.000 0.993 9 R CA -1.171 54.858 56.100 -0.118 0.000 0.931 9 R CB 1.189 31.346 30.300 -0.240 0.000 1.206 9 R HN 0.316 nan 8.270 nan 0.000 0.474 10 L N 3.115 124.282 121.223 -0.093 0.000 2.283 10 L HA 0.381 4.722 4.340 0.001 0.000 0.281 10 L C 0.792 177.588 176.870 -0.123 0.000 1.033 10 L CA 0.387 55.189 54.840 -0.063 0.000 0.848 10 L CB 0.407 42.443 42.059 -0.038 0.000 1.226 10 L HN 0.681 nan 8.230 nan 0.000 0.429 11 R N 1.751 122.158 120.500 -0.154 0.000 3.883 11 R HA -0.311 4.030 4.340 0.001 0.000 0.407 11 R C 0.931 176.890 176.300 -0.568 0.000 0.242 11 R CA 2.033 57.885 56.100 -0.414 0.000 1.306 11 R CB -1.265 28.941 30.300 -0.158 0.000 0.973 11 R HN 0.465 nan 8.270 nan 0.000 0.574 12 L N 1.188 122.172 121.223 -0.399 0.000 2.558 12 L HA 0.112 4.452 4.340 0.001 0.000 0.225 12 L C 0.088 176.733 176.870 -0.375 0.000 1.128 12 L CA 0.268 54.888 54.840 -0.366 0.000 0.868 12 L CB -0.232 41.755 42.059 -0.120 0.000 1.006 12 L HN 0.305 nan 8.230 nan 0.000 0.454 13 D N 0.033 120.274 120.400 -0.266 0.000 2.181 13 D HA 0.324 4.964 4.640 0.001 0.000 0.248 13 D C -2.334 173.856 176.300 -0.185 0.000 1.020 13 D CA -1.756 52.117 54.000 -0.210 0.000 0.891 13 D CB 1.373 42.105 40.800 -0.113 0.000 1.187 13 D HN -0.217 nan 8.370 nan 0.000 0.443 14 P HA -0.022 nan 4.420 nan 0.000 0.268 14 P C -0.106 177.183 177.300 -0.018 0.000 1.208 14 P CA -0.425 62.649 63.100 -0.044 0.000 0.777 14 P CB 0.481 32.206 31.700 0.041 0.000 0.875 15 V N 0.367 120.294 119.914 0.022 0.000 2.732 15 V HA 0.248 4.368 4.120 0.001 0.000 0.297 15 V C -1.784 174.329 176.094 0.031 0.000 1.060 15 V CA -1.609 60.699 62.300 0.014 0.000 1.038 15 V CB 0.369 32.196 31.823 0.006 0.000 1.003 15 V HN 0.388 nan 8.190 nan 0.000 0.481 16 P HA -0.157 nan 4.420 nan 0.000 0.216 16 P C 1.582 178.881 177.300 -0.002 0.000 1.150 16 P CA 1.671 64.767 63.100 -0.007 0.000 0.843 16 P CB 0.195 31.890 31.700 -0.009 0.000 0.787 17 E N -1.696 118.515 120.200 0.018 0.000 2.110 17 E HA -0.211 4.140 4.350 0.001 0.000 0.193 17 E C 1.729 178.359 176.600 0.050 0.000 0.988 17 E CA 0.859 57.273 56.400 0.023 0.000 0.804 17 E CB -0.399 29.318 29.700 0.029 0.000 0.745 17 E HN 0.117 nan 8.360 nan 0.000 0.458 18 F N 1.987 121.862 119.950 -0.126 0.000 2.163 18 F HA -0.052 4.476 4.527 0.001 0.000 0.297 18 F C 1.873 177.577 175.800 -0.160 0.000 1.094 18 F CA 1.396 59.290 58.000 -0.177 0.000 1.290 18 F CB -0.221 38.666 39.000 -0.188 0.000 1.017 18 F HN -0.008 nan 8.300 nan 0.000 0.483 19 E N -0.247 119.835 120.200 -0.198 0.000 2.118 19 E HA -0.210 4.140 4.350 0.001 0.000 0.195 19 E C 2.097 178.567 176.600 -0.216 0.000 0.992 19 E CA 1.293 57.530 56.400 -0.271 0.000 0.804 19 E CB -0.174 29.436 29.700 -0.150 0.000 0.741 19 E HN 0.355 nan 8.360 nan 0.000 0.458 20 E N 0.618 120.738 120.200 -0.133 0.000 2.072 20 E HA -0.168 4.182 4.350 0.001 0.000 0.191 20 E C 2.170 178.699 176.600 -0.118 0.000 0.985 20 E CA 0.562 56.904 56.400 -0.097 0.000 0.801 20 E CB -0.185 29.485 29.700 -0.051 0.000 0.750 20 E HN 0.182 nan 8.360 nan 0.000 0.452 21 L N 1.360 122.486 121.223 -0.163 0.000 2.093 21 L HA -0.176 4.164 4.340 0.001 0.000 0.208 21 L C 2.188 178.880 176.870 -0.296 0.000 1.085 21 L CA 1.579 56.282 54.840 -0.229 0.000 0.755 21 L CB -0.242 41.649 42.059 -0.280 0.000 0.904 21 L HN 0.050 nan 8.230 nan 0.000 0.435 22 Q N -0.483 119.097 119.800 -0.366 0.000 2.181 22 Q HA -0.245 4.095 4.340 0.001 0.000 0.205 22 Q C 2.095 178.049 176.000 -0.078 0.000 0.980 22 Q CA 1.751 57.401 55.803 -0.254 0.000 0.862 22 Q CB -0.114 28.376 28.738 -0.413 0.000 0.905 22 Q HN 0.551 nan 8.270 nan 0.000 0.429 23 K N 0.139 120.485 120.400 -0.089 0.000 2.147 23 K HA -0.087 4.233 4.320 0.001 0.000 0.205 23 K C 1.965 178.569 176.600 0.006 0.000 1.049 23 K CA 1.034 57.295 56.287 -0.044 0.000 0.936 23 K CB -0.080 32.390 32.500 -0.050 0.000 0.722 23 K HN 0.124 nan 8.250 nan 0.000 0.446 24 A N 1.200 124.048 122.820 0.046 0.000 2.121 24 A HA 0.115 4.436 4.320 0.001 0.000 0.218 24 A C 0.944 178.586 177.584 0.098 0.000 1.154 24 A CA 1.300 53.387 52.037 0.084 0.000 0.679 24 A CB -0.115 18.956 19.000 0.118 0.000 0.795 24 A HN 0.418 nan 8.150 nan 0.000 0.458 25 G N -2.522 106.352 108.800 0.123 0.000 2.368 25 G HA2 0.300 4.261 3.960 0.001 0.000 0.302 25 G HA3 0.300 4.261 3.960 0.001 0.000 0.302 25 G C -2.836 172.026 174.900 -0.063 0.000 1.329 25 G CA 0.043 45.149 45.100 0.010 0.000 0.935 25 G HN -0.108 nan 8.290 nan 0.000 0.590 26 P HA 0.353 nan 4.420 nan 0.000 0.257 26 P C -0.011 177.110 177.300 -0.300 0.000 1.241 26 P CA 0.309 63.308 63.100 -0.168 0.000 0.816 26 P CB 0.750 32.378 31.700 -0.120 0.000 1.150 27 L N 0.483 121.373 121.223 -0.555 0.000 2.505 27 L HA 0.456 4.797 4.340 0.001 0.000 0.266 27 L C -1.357 175.243 176.870 -0.449 0.000 0.954 27 L CA -0.871 53.755 54.840 -0.358 0.000 0.852 27 L CB 1.617 43.536 42.059 -0.234 0.000 1.282 27 L HN -0.075 nan 8.230 nan 0.000 0.403 28 H N 1.681 120.935 119.070 0.308 0.000 2.768 28 H HA 0.460 5.017 4.556 0.001 0.000 0.371 28 H C -0.918 174.584 175.328 0.290 0.000 1.151 28 H CA -0.751 55.465 56.048 0.280 0.000 1.165 28 H CB 1.580 31.453 29.762 0.185 0.000 1.722 28 H HN 0.443 nan 8.280 nan 0.000 0.543 29 E N 2.279 122.612 120.200 0.222 0.000 1.791 29 E HA 0.082 4.433 4.350 0.001 0.000 0.263 29 E C -1.193 175.455 176.600 0.080 0.000 1.213 29 E CA -0.049 56.306 56.400 -0.076 0.000 0.991 29 E CB 0.207 29.796 29.700 -0.184 0.000 1.068 29 E HN 0.411 nan 8.360 nan 0.000 0.417 30 Y N 1.607 121.896 120.300 -0.018 0.000 2.470 30 Y HA 0.172 4.722 4.550 0.001 0.000 0.341 30 Y C -1.212 174.682 175.900 -0.010 0.000 1.021 30 Y CA -1.208 56.897 58.100 0.007 0.000 1.025 30 Y CB 1.463 39.962 38.460 0.063 0.000 1.266 30 Y HN 0.171 nan 8.280 nan 0.000 0.448 31 D N 3.974 124.072 120.400 -0.504 0.000 2.380 31 D HA 0.210 4.851 4.640 0.001 0.000 0.230 31 D C 0.387 176.581 176.300 -0.177 0.000 1.154 31 D CA 0.094 53.932 54.000 -0.269 0.000 0.859 31 D CB 1.921 42.558 40.800 -0.271 0.000 1.045 31 D HN 0.711 nan 8.370 nan 0.000 0.495 32 T N 0.976 115.602 114.554 0.120 0.000 3.010 32 T HA -0.000 4.350 4.350 0.001 0.000 0.252 32 T C 0.969 175.732 174.700 0.104 0.000 1.047 32 T CA 0.334 62.559 62.100 0.208 0.000 1.140 32 T CB 0.538 69.557 68.868 0.251 0.000 0.885 32 T HN 0.234 nan 8.240 nan 0.000 0.464 41 Q N 2.772 122.446 119.800 -0.211 0.000 2.306 41 Q HA 0.561 4.901 4.340 0.001 0.000 0.265 41 Q C -0.944 174.905 176.000 -0.251 0.000 1.022 41 Q CA -0.772 54.964 55.803 -0.111 0.000 0.853 41 Q CB 1.805 30.525 28.738 -0.029 0.000 1.327 41 Q HN 0.531 nan 8.270 nan 0.000 0.449 42 W N 1.821 123.176 121.300 0.090 0.000 2.736 42 W HA 0.502 5.163 4.660 0.001 0.000 0.335 42 W C -0.986 175.604 176.519 0.119 0.000 1.059 42 W CA -0.684 56.718 57.345 0.095 0.000 1.226 42 W CB 1.137 30.626 29.460 0.047 0.000 1.416 42 W HN 0.363 nan 8.180 nan 0.000 0.505 43 L N 3.760 125.229 121.223 0.411 0.000 2.305 43 L HA 0.689 5.030 4.340 0.001 0.000 0.284 43 L C -0.945 176.105 176.870 0.299 0.000 1.013 43 L CA -0.796 54.234 54.840 0.316 0.000 0.819 43 L CB 1.097 43.328 42.059 0.286 0.000 1.227 43 L HN 0.223 nan 8.230 nan 0.000 0.417 44 V N 4.444 124.461 119.914 0.173 0.000 2.370 44 V HA 0.432 4.553 4.120 0.001 0.000 0.279 44 V C 0.883 177.032 176.094 0.091 0.000 1.029 44 V CA 0.263 62.607 62.300 0.074 0.000 0.870 44 V CB 0.919 32.724 31.823 -0.030 0.000 0.984 44 V HN 0.930 nan 8.190 nan 0.000 0.451 45 T N 0.350 114.961 114.554 0.094 0.000 2.958 45 T HA 0.230 4.580 4.350 0.001 0.000 0.256 45 T C 0.956 175.662 174.700 0.010 0.000 0.983 45 T CA 0.481 62.629 62.100 0.081 0.000 0.924 45 T CB 0.372 69.319 68.868 0.132 0.000 1.136 45 T HN 0.773 nan 8.240 nan 0.000 0.506 46 G N 0.881 109.670 108.800 -0.018 0.000 2.378 46 G HA2 0.255 4.216 3.960 0.001 0.000 0.255 46 G HA3 0.255 4.216 3.960 0.001 0.000 0.255 46 G C 0.530 175.415 174.900 -0.025 0.000 1.270 46 G CA -0.275 44.810 45.100 -0.027 0.000 0.876 46 G HN 0.357 nan 8.290 nan 0.000 0.521 47 H N 1.910 120.933 119.070 -0.077 0.000 2.290 47 H HA -0.131 4.426 4.556 0.001 0.000 0.298 47 H C 1.482 176.747 175.328 -0.105 0.000 1.087 47 H CA 2.192 58.189 56.048 -0.084 0.000 1.291 47 H CB 0.274 29.991 29.762 -0.075 0.000 1.369 47 H HN 0.544 nan 8.280 nan 0.000 0.492 48 D N 0.332 120.694 120.400 -0.063 0.000 2.144 48 D HA -0.114 4.526 4.640 0.001 0.000 0.199 48 D C 2.234 178.435 176.300 -0.165 0.000 0.984 48 D CA 0.994 54.922 54.000 -0.120 0.000 0.834 48 D CB -0.277 40.502 40.800 -0.035 0.000 0.955 48 D HN 0.472 nan 8.370 nan 0.000 0.465 49 E N 0.301 120.415 120.200 -0.143 0.000 2.047 49 E HA -0.082 4.269 4.350 0.001 0.000 0.191 49 E C 2.329 178.811 176.600 -0.197 0.000 0.987 49 E CA 0.258 56.560 56.400 -0.163 0.000 0.799 49 E CB -0.331 29.277 29.700 -0.154 0.000 0.752 49 E HN 0.041 nan 8.360 nan 0.000 0.449 50 V N 0.888 120.686 119.914 -0.193 0.000 2.255 50 V HA -0.305 3.816 4.120 0.001 0.000 0.247 50 V C 2.240 178.201 176.094 -0.223 0.000 1.051 50 V CA 1.989 64.175 62.300 -0.190 0.000 1.018 50 V CB -0.419 31.310 31.823 -0.157 0.000 0.641 50 V HN 0.209 nan 8.190 nan 0.000 0.445 51 R N -0.140 120.153 120.500 -0.345 0.000 2.112 51 R HA -0.256 4.084 4.340 0.001 0.000 0.242 51 R C 2.406 178.604 176.300 -0.171 0.000 1.137 51 R CA 1.847 57.686 56.100 -0.435 0.000 0.944 51 R CB -0.741 29.222 30.300 -0.561 0.000 0.857 51 R HN 0.564 nan 8.270 nan 0.000 0.435 52 A N 1.094 123.822 122.820 -0.153 0.000 1.902 52 A HA -0.157 4.164 4.320 0.001 0.000 0.217 52 A C 2.080 179.617 177.584 -0.078 0.000 1.181 52 A CA 1.251 53.240 52.037 -0.080 0.000 0.623 52 A CB -0.370 18.574 19.000 -0.094 0.000 0.818 52 A HN 0.122 nan 8.150 nan 0.000 0.443 53 I N -0.041 120.404 120.570 -0.207 0.000 2.163 53 I HA -0.200 3.971 4.170 0.001 0.000 0.240 53 I C 2.489 178.542 176.117 -0.106 0.000 1.081 53 I CA 1.217 62.285 61.300 -0.386 0.000 1.353 53 I CB -1.473 36.196 38.000 -0.552 0.000 1.054 53 I HN 0.285 nan 8.210 nan 0.000 0.407 54 L N 0.541 121.757 121.223 -0.012 0.000 2.093 54 L HA -0.133 4.208 4.340 0.001 0.000 0.208 54 L C 2.606 179.604 176.870 0.212 0.000 1.085 54 L CA 1.205 56.118 54.840 0.122 0.000 0.755 54 L CB -0.660 41.494 42.059 0.158 0.000 0.904 54 L HN 0.175 nan 8.230 nan 0.000 0.435 55 A N -1.275 121.688 122.820 0.238 0.000 2.119 55 A HA -0.148 4.173 4.320 0.001 0.000 0.217 55 A C 1.164 178.838 177.584 0.150 0.000 1.153 55 A CA 0.854 53.016 52.037 0.208 0.000 0.692 55 A CB -0.261 18.874 19.000 0.224 0.000 0.799 55 A HN 0.271 nan 8.150 nan 0.000 0.458 56 D N -0.081 120.400 120.400 0.134 0.000 2.767 56 D HA 0.061 4.702 4.640 0.001 0.000 0.241 56 D C 1.250 177.608 176.300 0.097 0.000 1.187 56 D CA -0.350 53.694 54.000 0.073 0.000 0.999 56 D CB -0.375 40.559 40.800 0.222 0.000 1.042 56 D HN 0.636 nan 8.370 nan 0.000 0.510 57 H N 0.197 119.350 119.070 0.137 0.000 2.457 57 H HA -0.001 4.556 4.556 0.001 0.000 0.294 57 H C 0.898 176.276 175.328 0.084 0.000 1.064 57 H CA 0.606 56.728 56.048 0.123 0.000 1.330 57 H CB 0.126 29.928 29.762 0.066 0.000 1.395 57 H HN 0.388 nan 8.280 nan 0.000 0.541 58 E N 0.867 120.918 120.200 -0.248 0.000 2.204 58 E HA -0.045 4.305 4.350 0.001 0.000 0.194 58 E C 1.876 178.408 176.600 -0.113 0.000 0.989 58 E CA 0.385 56.716 56.400 -0.116 0.000 0.824 58 E CB 0.170 29.767 29.700 -0.172 0.000 0.756 58 E HN 0.513 nan 8.360 nan 0.000 0.477 59 R N -0.821 119.575 120.500 -0.173 0.000 2.335 59 R HA 0.154 4.494 4.340 0.001 0.000 0.210 59 R C -0.360 175.538 176.300 -0.672 0.000 0.892 59 R CA -0.008 55.842 56.100 -0.417 0.000 1.048 59 R CB 0.748 30.727 30.300 -0.535 0.000 1.067 59 R HN -0.044 nan 8.270 nan 0.000 0.524 60 F N 0.474 120.432 119.950 0.014 0.000 2.646 60 F HA 0.272 4.800 4.527 0.001 0.000 0.364 60 F C 0.139 175.978 175.800 0.065 0.000 1.137 60 F CA -0.829 57.193 58.000 0.036 0.000 1.085 60 F CB 1.697 40.713 39.000 0.026 0.000 1.331 60 F HN -0.233 nan 8.300 nan 0.000 0.472 61 S N 1.047 116.858 115.700 0.186 0.000 2.580 61 S HA 0.250 4.720 4.470 0.001 0.000 0.274 61 S C 1.035 175.708 174.600 0.122 0.000 1.329 61 S CA -0.353 57.931 58.200 0.141 0.000 1.036 61 S CB 1.108 64.363 63.200 0.091 0.000 0.919 61 S HN 0.545 nan 8.310 nan 0.000 0.515 62 S N 3.330 119.080 115.700 0.083 0.000 2.575 62 S HA 0.241 4.711 4.470 0.001 0.000 0.215 62 S C 0.450 175.063 174.600 0.022 0.000 0.966 62 S CA -0.046 58.154 58.200 0.000 0.000 0.911 62 S CB -0.223 62.867 63.200 -0.184 0.000 0.780 62 S HN 0.685 nan 8.310 nan 0.000 0.514 63 M N 2.552 122.181 119.600 0.050 0.000 2.217 63 M HA 0.227 4.707 4.480 0.001 0.000 0.354 63 M C 0.225 176.550 176.300 0.041 0.000 1.225 63 M CA -0.256 55.069 55.300 0.042 0.000 1.137 63 M CB 0.389 33.010 32.600 0.034 0.000 1.576 63 M HN -0.057 nan 8.290 nan 0.000 0.461 64 R N 3.188 123.710 120.500 0.036 0.000 2.566 64 R HA 0.077 4.418 4.340 0.001 0.000 0.273 64 R C -2.241 174.081 176.300 0.037 0.000 0.981 64 R CA -0.878 55.244 56.100 0.036 0.000 1.091 64 R CB -0.689 29.630 30.300 0.031 0.000 0.924 64 R HN 0.400 nan 8.270 nan 0.000 0.411 65 P HA 0.105 nan 4.420 nan 0.000 0.276 65 P C -0.445 176.874 177.300 0.031 0.000 1.243 65 P CA -0.238 62.887 63.100 0.042 0.000 0.768 65 P CB 0.910 32.642 31.700 0.053 0.000 0.856 66 V N -1.296 118.634 119.914 0.026 0.000 2.914 66 V HA 0.809 4.929 4.120 0.001 0.000 0.314 66 V C -0.006 176.098 176.094 0.017 0.000 1.084 66 V CA -0.765 61.546 62.300 0.019 0.000 0.963 66 V CB 1.184 33.016 31.823 0.015 0.000 1.025 66 V HN 0.563 nan 8.190 nan 0.000 0.432 74 L N 2.222 123.450 121.223 0.009 0.000 2.350 74 L HA 0.516 4.856 4.340 0.001 0.000 0.275 74 L C -0.305 176.587 176.870 0.036 0.000 1.099 74 L CA -0.382 54.461 54.840 0.005 0.000 0.808 74 L CB 1.198 43.256 42.059 -0.001 0.000 1.149 74 L HN 0.690 nan 8.230 nan 0.000 0.442 75 L N 5.101 126.359 121.223 0.058 0.000 2.556 75 L HA 0.310 4.651 4.340 0.001 0.000 0.243 75 L C -2.155 174.840 176.870 0.208 0.000 1.331 75 L CA -1.576 53.334 54.840 0.117 0.000 0.927 75 L CB 1.020 43.155 42.059 0.127 0.000 1.219 75 L HN 0.367 nan 8.230 nan 0.000 0.490 76 P HA 0.072 nan 4.420 nan 0.000 0.264 76 P C 1.027 178.465 177.300 0.231 0.000 1.193 76 P CA 0.901 64.144 63.100 0.237 0.000 0.763 76 P CB 1.140 32.923 31.700 0.138 0.000 0.810 77 G N 3.006 111.957 108.800 0.252 0.000 2.179 77 G HA2 -0.217 3.743 3.960 0.001 0.000 0.260 77 G HA3 -0.217 3.743 3.960 0.001 0.000 0.260 77 G C 0.174 175.059 174.900 -0.024 0.000 0.977 77 G CA -0.363 44.756 45.100 0.031 0.000 0.641 77 G HN 0.520 nan 8.290 nan 0.000 0.533 78 I N 2.135 122.769 120.570 0.107 0.000 2.269 78 I HA 0.285 4.456 4.170 0.001 0.000 0.293 78 I C 1.947 178.103 176.117 0.065 0.000 1.106 78 I CA -0.557 60.806 61.300 0.105 0.000 1.248 78 I CB 0.184 38.286 38.000 0.170 0.000 1.444 78 I HN 0.079 nan 8.210 nan 0.000 0.497 79 L N 4.226 125.412 121.223 -0.062 0.000 2.081 79 L HA -0.275 4.066 4.340 0.001 0.000 0.212 79 L C 2.140 179.202 176.870 0.321 0.000 1.080 79 L CA 1.612 56.440 54.840 -0.020 0.000 0.754 79 L CB -0.213 41.843 42.059 -0.004 0.000 0.893 79 L HN 0.535 nan 8.230 nan 0.000 0.433 80 Q N -0.538 119.387 119.800 0.209 0.000 2.234 80 Q HA -0.148 4.193 4.340 0.001 0.000 0.206 80 Q C 1.953 177.980 176.000 0.046 0.000 0.980 80 Q CA 1.601 57.446 55.803 0.070 0.000 0.869 80 Q CB -0.253 28.502 28.738 0.028 0.000 0.912 80 Q HN 0.533 nan 8.270 nan 0.000 0.436 81 A N -1.246 121.710 122.820 0.226 0.000 2.308 81 A HA 0.130 4.450 4.320 0.001 0.000 0.217 81 A C -0.525 177.239 177.584 0.299 0.000 1.216 81 A CA -0.212 51.952 52.037 0.212 0.000 0.864 81 A CB 0.220 19.338 19.000 0.197 0.000 0.902 81 A HN 0.151 nan 8.150 nan 0.000 0.499 82 Y N 0.801 121.211 120.300 0.183 0.000 2.342 82 Y HA 0.466 5.016 4.550 0.001 0.000 0.334 82 Y C -0.207 175.837 175.900 0.240 0.000 1.067 82 Y CA -1.654 56.577 58.100 0.219 0.000 1.128 82 Y CB 0.843 39.471 38.460 0.280 0.000 1.200 82 Y HN 0.136 nan 8.280 nan 0.000 0.464 83 D N 4.293 124.851 120.400 0.264 0.000 2.277 83 D HA 0.272 4.912 4.640 0.001 0.000 0.250 83 D C -2.193 174.229 176.300 0.203 0.000 1.032 83 D CA -1.935 52.188 54.000 0.205 0.000 0.947 83 D CB 1.396 42.276 40.800 0.133 0.000 1.159 83 D HN 0.227 nan 8.370 nan 0.000 0.460 84 P HA 0.229 nan 4.420 nan 0.000 0.228 84 P C -2.202 175.158 177.300 0.101 0.000 1.764 84 P CA -0.683 62.477 63.100 0.101 0.000 0.929 84 P CB 0.369 32.010 31.700 -0.099 0.000 1.675 85 P HA 0.037 nan 4.420 nan 0.000 0.211 85 P C 1.181 178.545 177.300 0.106 0.000 1.150 85 P CA 0.923 64.075 63.100 0.087 0.000 0.896 85 P CB 0.238 31.978 31.700 0.067 0.000 0.764 86 D N -1.434 119.050 120.400 0.141 0.000 2.178 86 D HA -0.185 4.455 4.640 0.001 0.000 0.202 86 D C 1.876 178.358 176.300 0.303 0.000 0.974 86 D CA 1.023 55.145 54.000 0.204 0.000 0.841 86 D CB -0.886 40.029 40.800 0.191 0.000 0.953 86 D HN 0.303 nan 8.370 nan 0.000 0.478 87 H N 1.015 120.232 119.070 0.245 0.000 2.352 87 H HA -0.104 4.452 4.556 0.001 0.000 0.299 87 H C 1.362 176.673 175.328 -0.029 0.000 1.097 87 H CA 1.966 58.089 56.048 0.125 0.000 1.311 87 H CB 0.152 29.954 29.762 0.067 0.000 1.377 87 H HN 0.052 nan 8.280 nan 0.000 0.504 88 T N 1.501 116.057 114.554 0.003 0.000 2.720 88 T HA -0.190 4.161 4.350 0.001 0.000 0.268 88 T C 2.142 176.769 174.700 -0.122 0.000 1.037 88 T CA 2.028 64.083 62.100 -0.075 0.000 1.144 88 T CB -0.194 68.671 68.868 -0.006 0.000 0.864 88 T HN 0.602 nan 8.240 nan 0.000 0.444 89 R N 0.869 121.329 120.500 -0.066 0.000 2.073 89 R HA 0.120 4.461 4.340 0.001 0.000 0.229 89 R C 2.360 178.579 176.300 -0.135 0.000 1.120 89 R CA 0.821 56.876 56.100 -0.076 0.000 0.967 89 R CB -0.914 29.376 30.300 -0.017 0.000 0.862 89 R HN 0.222 nan 8.270 nan 0.000 0.436 90 L N 1.431 122.567 121.223 -0.144 0.000 2.046 90 L HA -0.042 4.298 4.340 0.001 0.000 0.208 90 L C 2.687 179.389 176.870 -0.280 0.000 1.077 90 L CA 1.785 56.498 54.840 -0.211 0.000 0.747 90 L CB -0.550 41.327 42.059 -0.304 0.000 0.896 90 L HN 0.184 nan 8.230 nan 0.000 0.432 91 R N -0.010 120.256 120.500 -0.390 0.000 2.073 91 R HA -0.196 4.145 4.340 0.001 0.000 0.234 91 R C 2.443 178.606 176.300 -0.228 0.000 1.134 91 R CA 1.877 57.760 56.100 -0.361 0.000 0.952 91 R CB -0.286 29.688 30.300 -0.544 0.000 0.850 91 R HN 0.575 nan 8.270 nan 0.000 0.433 92 R N -1.381 118.983 120.500 -0.227 0.000 2.235 92 R HA 0.041 4.382 4.340 0.001 0.000 0.213 92 R C 1.450 177.532 176.300 -0.364 0.000 1.059 92 R CA 1.584 57.562 56.100 -0.203 0.000 0.997 92 R CB -0.405 29.804 30.300 -0.152 0.000 0.884 92 R HN 0.034 nan 8.270 nan 0.000 0.462 93 T N 0.191 114.491 114.554 -0.424 0.000 2.951 93 T HA 0.041 4.391 4.350 0.001 0.000 0.268 93 T C 1.524 176.054 174.700 -0.284 0.000 1.073 93 T CA 1.080 62.801 62.100 -0.633 0.000 1.134 93 T CB 0.191 68.868 68.868 -0.318 0.000 0.884 93 T HN 0.096 nan 8.240 nan 0.000 0.479 94 V N 0.573 120.406 119.914 -0.135 0.000 3.523 94 V HA 0.268 4.388 4.120 0.001 0.000 0.255 94 V C 2.597 178.766 176.094 0.125 0.000 1.226 94 V CA 0.652 62.962 62.300 0.017 0.000 1.092 94 V CB -0.409 31.433 31.823 0.032 0.000 0.817 94 V HN 0.395 nan 8.190 nan 0.000 0.458 95 A N 1.302 124.168 122.820 0.075 0.000 1.917 95 A HA -0.164 4.157 4.320 0.001 0.000 0.219 95 A C 0.424 178.115 177.584 0.179 0.000 1.182 95 A CA 2.282 54.404 52.037 0.141 0.000 0.633 95 A CB -1.829 17.196 19.000 0.041 0.000 0.819 95 A HN 0.527 nan 8.150 nan 0.000 0.448 96 P HA -0.133 nan 4.420 nan 0.000 0.218 96 P C 1.574 178.918 177.300 0.074 0.000 1.148 96 P CA 1.752 64.918 63.100 0.110 0.000 0.822 96 P CB -0.144 31.629 31.700 0.123 0.000 0.784 97 A N -1.982 120.855 122.820 0.028 0.000 2.070 97 A HA -0.181 4.139 4.320 0.001 0.000 0.220 97 A C 1.368 178.886 177.584 -0.110 0.000 1.159 97 A CA 1.355 53.320 52.037 -0.120 0.000 0.656 97 A CB -1.515 17.311 19.000 -0.290 0.000 0.800 97 A HN 0.227 nan 8.150 nan 0.000 0.453 98 Y N 0.310 120.712 120.300 0.171 0.000 2.467 98 Y HA 0.158 4.708 4.550 0.001 0.000 0.250 98 Y C 1.546 177.486 175.900 0.067 0.000 1.155 98 Y CA -0.094 58.085 58.100 0.132 0.000 1.249 98 Y CB -0.072 38.427 38.460 0.065 0.000 1.146 98 Y HN 0.325 nan 8.280 nan 0.000 0.524 99 S N 0.480 116.283 115.700 0.171 0.000 2.559 99 S HA 0.096 4.566 4.470 0.001 0.000 0.282 99 S C 1.699 176.351 174.600 0.087 0.000 1.336 99 S CA -0.013 58.252 58.200 0.108 0.000 1.037 99 S CB 1.329 64.574 63.200 0.076 0.000 0.853 99 S HN 0.377 nan 8.310 nan 0.000 0.523 100 A N 2.341 125.198 122.820 0.063 0.000 1.978 100 A HA -0.109 4.212 4.320 0.001 0.000 0.220 100 A C 2.332 179.943 177.584 0.045 0.000 1.170 100 A CA 1.656 53.723 52.037 0.049 0.000 0.636 100 A CB -0.717 18.304 19.000 0.035 0.000 0.810 100 A HN 0.955 nan 8.150 nan 0.000 0.448 101 R N -0.878 119.647 120.500 0.042 0.000 2.073 101 R HA -0.027 4.313 4.340 0.001 0.000 0.229 101 R C 2.324 178.647 176.300 0.039 0.000 1.120 101 R CA 0.829 56.949 56.100 0.034 0.000 0.967 101 R CB -0.162 30.154 30.300 0.027 0.000 0.862 101 R HN 0.361 nan 8.270 nan 0.000 0.436 102 R N -0.046 120.482 120.500 0.047 0.000 2.096 102 R HA -0.089 4.251 4.340 0.001 0.000 0.235 102 R C 2.142 178.485 176.300 0.071 0.000 1.127 102 R CA 1.099 57.229 56.100 0.050 0.000 0.968 102 R CB -0.251 30.080 30.300 0.051 0.000 0.861 102 R HN 0.314 nan 8.270 nan 0.000 0.440 103 M N 0.697 120.344 119.600 0.078 0.000 2.099 103 M HA -0.107 4.374 4.480 0.001 0.000 0.262 103 M C 1.847 178.183 176.300 0.059 0.000 1.067 103 M CA 1.444 56.791 55.300 0.077 0.000 1.124 103 M CB -0.693 31.947 32.600 0.067 0.000 1.353 103 M HN -0.035 nan 8.290 nan 0.000 0.410 104 E N 0.209 120.438 120.200 0.048 0.000 2.153 104 E HA -0.130 4.221 4.350 0.001 0.000 0.194 104 E C 2.078 178.700 176.600 0.037 0.000 0.988 104 E CA 0.884 57.307 56.400 0.039 0.000 0.811 104 E CB -0.341 29.379 29.700 0.032 0.000 0.746 104 E HN 0.517 nan 8.360 nan 0.000 0.466 105 R N -0.073 120.450 120.500 0.038 0.000 2.148 105 R HA -0.045 4.295 4.340 0.001 0.000 0.227 105 R C 2.037 178.361 176.300 0.040 0.000 1.103 105 R CA 0.431 56.551 56.100 0.033 0.000 0.983 105 R CB -0.141 30.174 30.300 0.026 0.000 0.874 105 R HN 0.068 nan 8.270 nan 0.000 0.451 106 L N 0.890 122.147 121.223 0.056 0.000 2.240 106 L HA -0.023 4.317 4.340 0.001 0.000 0.211 106 L C 2.397 179.300 176.870 0.056 0.000 1.106 106 L CA 1.212 56.093 54.840 0.067 0.000 0.793 106 L CB -0.667 41.453 42.059 0.102 0.000 0.927 106 L HN 0.068 nan 8.230 nan 0.000 0.446 107 R N 0.124 120.653 120.500 0.048 0.000 2.133 107 R HA -0.240 4.101 4.340 0.001 0.000 0.245 107 R C -0.392 175.932 176.300 0.039 0.000 1.137 107 R CA 2.436 58.561 56.100 0.042 0.000 0.947 107 R CB -1.435 28.887 30.300 0.037 0.000 0.865 107 R HN 0.251 nan 8.270 nan 0.000 0.437 108 P HA -0.170 nan 4.420 nan 0.000 0.216 108 P C 0.851 178.169 177.300 0.029 0.000 1.153 108 P CA 1.585 64.702 63.100 0.028 0.000 0.858 108 P CB -0.190 31.524 31.700 0.023 0.000 0.789 109 R N -0.929 119.592 120.500 0.034 0.000 2.115 109 R HA -0.013 4.327 4.340 0.001 0.000 0.230 109 R C 2.348 178.673 176.300 0.042 0.000 1.111 109 R CA 1.065 57.186 56.100 0.035 0.000 0.976 109 R CB -0.923 29.403 30.300 0.043 0.000 0.870 109 R HN 0.291 nan 8.270 nan 0.000 0.445 110 I N 0.928 121.529 120.570 0.051 0.000 2.179 110 I HA -0.252 3.919 4.170 0.001 0.000 0.242 110 I C 2.055 178.202 176.117 0.050 0.000 1.088 110 I CA 1.467 62.800 61.300 0.056 0.000 1.357 110 I CB -0.270 37.764 38.000 0.056 0.000 1.051 110 I HN 0.180 nan 8.210 nan 0.000 0.409 111 E N 0.503 120.729 120.200 0.043 0.000 2.085 111 E HA -0.287 4.064 4.350 0.001 0.000 0.194 111 E C 2.097 178.718 176.600 0.036 0.000 0.994 111 E CA 1.355 57.779 56.400 0.041 0.000 0.801 111 E CB -0.133 29.587 29.700 0.035 0.000 0.743 111 E HN 0.457 nan 8.360 nan 0.000 0.453 112 E N 0.774 120.991 120.200 0.028 0.000 2.051 112 E HA -0.213 4.138 4.350 0.001 0.000 0.192 112 E C 2.122 178.729 176.600 0.012 0.000 0.991 112 E CA 0.989 57.399 56.400 0.016 0.000 0.799 112 E CB -0.041 29.663 29.700 0.007 0.000 0.748 112 E HN 0.220 nan 8.360 nan 0.000 0.449 113 I N 0.410 120.990 120.570 0.017 0.000 2.179 113 I HA -0.281 3.889 4.170 0.001 0.000 0.242 113 I C 2.447 178.594 176.117 0.050 0.000 1.088 113 I CA 0.744 62.055 61.300 0.017 0.000 1.357 113 I CB -0.217 37.816 38.000 0.056 0.000 1.051 113 I HN 0.064 nan 8.210 nan 0.000 0.409 114 V N 0.637 120.588 119.914 0.062 0.000 2.252 114 V HA -0.299 3.821 4.120 0.001 0.000 0.249 114 V C 2.553 178.698 176.094 0.085 0.000 1.056 114 V CA 1.916 64.262 62.300 0.076 0.000 1.022 114 V CB -0.650 31.219 31.823 0.076 0.000 0.641 114 V HN 0.414 nan 8.190 nan 0.000 0.445 115 E N -0.148 120.093 120.200 0.069 0.000 2.051 115 E HA -0.215 4.136 4.350 0.001 0.000 0.192 115 E C 2.240 178.887 176.600 0.077 0.000 0.991 115 E CA 1.273 57.716 56.400 0.071 0.000 0.799 115 E CB -0.318 29.410 29.700 0.047 0.000 0.748 115 E HN 0.686 nan 8.360 nan 0.000 0.449 116 E N -0.099 120.130 120.200 0.049 0.000 2.070 116 E HA -0.195 4.156 4.350 0.001 0.000 0.197 116 E C 2.236 178.884 176.600 0.079 0.000 1.004 116 E CA 1.513 57.936 56.400 0.037 0.000 0.805 116 E CB -0.114 29.572 29.700 -0.023 0.000 0.744 116 E HN 0.241 nan 8.360 nan 0.000 0.451 117 C N 0.385 119.742 119.300 0.095 0.000 2.457 117 C HA -0.014 4.446 4.460 0.001 0.000 0.278 117 C C 2.599 177.703 174.990 0.191 0.000 1.309 117 C CA 0.136 59.236 59.018 0.138 0.000 1.735 117 C CB -0.770 27.045 27.740 0.126 0.000 1.992 117 C HN 0.393 nan 8.230 nan 0.000 0.493 118 L N 0.695 122.037 121.223 0.198 0.000 2.093 118 L HA -0.135 4.205 4.340 0.001 0.000 0.208 118 L C 2.233 179.337 176.870 0.391 0.000 1.085 118 L CA 1.357 56.399 54.840 0.336 0.000 0.755 118 L CB -0.775 41.492 42.059 0.347 0.000 0.904 118 L HN 0.314 nan 8.230 nan 0.000 0.435 119 D N 0.072 120.616 120.400 0.240 0.000 2.123 119 D HA -0.230 4.411 4.640 0.001 0.000 0.196 119 D C 1.745 178.160 176.300 0.192 0.000 0.992 119 D CA 1.573 55.685 54.000 0.187 0.000 0.833 119 D CB -0.136 40.730 40.800 0.110 0.000 0.954 119 D HN 0.335 nan 8.370 nan 0.000 0.455 120 D N -0.828 119.691 120.400 0.198 0.000 2.097 120 D HA -0.160 4.480 4.640 0.001 0.000 0.197 120 D C 1.914 178.361 176.300 0.245 0.000 0.984 120 D CA 0.541 54.659 54.000 0.197 0.000 0.826 120 D CB -0.227 40.690 40.800 0.195 0.000 0.973 120 D HN 0.106 nan 8.370 nan 0.000 0.460 121 F N 1.523 121.562 119.950 0.148 0.000 2.065 121 F HA -0.183 4.344 4.527 0.001 0.000 0.298 121 F C 2.171 178.006 175.800 0.058 0.000 1.112 121 F CA 2.071 60.126 58.000 0.091 0.000 1.212 121 F CB -0.458 38.592 39.000 0.083 0.000 0.975 121 F HN 0.008 nan 8.300 nan 0.000 0.476 122 E N -0.076 120.217 120.200 0.155 0.000 2.106 122 E HA -0.211 4.139 4.350 0.001 0.000 0.192 122 E C 2.222 178.804 176.600 -0.030 0.000 0.984 122 E CA 1.303 57.749 56.400 0.076 0.000 0.806 122 E CB -0.279 29.657 29.700 0.393 0.000 0.750 122 E HN 0.530 nan 8.360 nan 0.000 0.458 123 S N -0.233 115.477 115.700 0.018 0.000 2.474 123 S HA -0.032 4.439 4.470 0.001 0.000 0.235 123 S C 0.930 175.498 174.600 -0.054 0.000 0.997 123 S CA 0.169 58.370 58.200 0.002 0.000 0.949 123 S CB -0.233 62.990 63.200 0.038 0.000 0.766 123 S HN 0.025 nan 8.310 nan 0.000 0.517 124 V N 2.097 121.928 119.914 -0.138 0.000 3.051 124 V HA 0.502 4.622 4.120 0.001 0.000 0.306 124 V C 1.728 177.713 176.094 -0.183 0.000 1.083 124 V CA -0.374 61.814 62.300 -0.187 0.000 1.104 124 V CB 0.125 31.731 31.823 -0.361 0.000 1.027 124 V HN 0.518 nan 8.190 nan 0.000 0.483 125 G N 1.488 110.205 108.800 -0.138 0.000 2.777 125 G HA2 0.202 4.162 3.960 0.001 0.000 0.286 125 G HA3 0.202 4.162 3.960 0.001 0.000 0.286 125 G C 1.194 176.015 174.900 -0.132 0.000 1.283 125 G CA 0.248 45.282 45.100 -0.110 0.000 1.060 125 G HN 1.207 nan 8.290 nan 0.000 0.641 126 A N 0.880 123.646 122.820 -0.090 0.000 1.912 126 A HA -0.064 4.256 4.320 0.001 0.000 0.217 126 A C -0.391 177.130 177.584 -0.105 0.000 1.309 126 A CA 2.260 54.250 52.037 -0.078 0.000 0.726 126 A CB -1.956 17.015 19.000 -0.049 0.000 0.840 126 A HN 0.671 nan 8.150 nan 0.000 0.473 127 P HA 0.559 nan 4.420 nan 0.000 0.288 127 P C -1.277 175.934 177.300 -0.148 0.000 1.267 127 P CA -0.300 62.740 63.100 -0.099 0.000 0.815 127 P CB 1.649 33.318 31.700 -0.052 0.000 0.989 128 V N 1.808 121.615 119.914 -0.178 0.000 2.656 128 V HA 0.233 4.353 4.120 0.001 0.000 0.307 128 V C -0.176 175.951 176.094 0.056 0.000 1.051 128 V CA -0.675 61.487 62.300 -0.230 0.000 0.893 128 V CB 1.959 33.373 31.823 -0.682 0.000 0.999 128 V HN 0.522 nan 8.190 nan 0.000 0.426 129 D N 2.104 122.559 120.400 0.092 0.000 2.358 129 D HA 0.074 4.715 4.640 0.001 0.000 0.258 129 D C 0.535 177.072 176.300 0.395 0.000 1.223 129 D CA 0.020 54.154 54.000 0.223 0.000 0.886 129 D CB 0.729 41.637 40.800 0.181 0.000 1.120 129 D HN 0.429 nan 8.370 nan 0.000 0.482 130 F N 3.903 123.991 119.950 0.230 0.000 2.234 130 F HA -0.126 4.402 4.527 0.001 0.000 0.299 130 F C 1.777 177.614 175.800 0.062 0.000 1.087 130 F CA 0.804 58.855 58.000 0.085 0.000 1.340 130 F CB 0.211 39.140 39.000 -0.118 0.000 1.031 130 F HN 0.323 nan 8.300 nan 0.000 0.500 131 V N 0.416 120.426 119.914 0.160 0.000 2.270 131 V HA -0.275 3.846 4.120 0.001 0.000 0.245 131 V C 2.504 178.663 176.094 0.110 0.000 1.043 131 V CA 2.129 64.493 62.300 0.106 0.000 1.014 131 V CB -0.739 31.173 31.823 0.147 0.000 0.645 131 V HN 0.190 nan 8.190 nan 0.000 0.447 132 R N -0.148 120.436 120.500 0.141 0.000 2.091 132 R HA -0.141 4.199 4.340 0.001 0.000 0.238 132 R C 2.142 178.413 176.300 -0.048 0.000 1.136 132 R CA 1.878 58.016 56.100 0.064 0.000 0.959 132 R CB -0.652 29.707 30.300 0.099 0.000 0.856 132 R HN 0.677 nan 8.270 nan 0.000 0.437 133 H N -2.198 116.890 119.070 0.031 0.000 2.592 133 H HA 0.378 4.935 4.556 0.001 0.000 0.265 133 H C 0.636 175.923 175.328 -0.069 0.000 0.955 133 H CA 0.743 56.829 56.048 0.063 0.000 1.175 133 H CB 1.006 30.911 29.762 0.238 0.000 1.433 133 H HN 0.388 nan 8.280 nan 0.000 0.537 134 A N 0.069 122.722 122.820 -0.279 0.000 1.690 134 A HA 0.400 4.720 4.320 0.001 0.000 0.213 134 A C 2.117 179.404 177.584 -0.496 0.000 1.785 134 A CA 0.563 52.269 52.037 -0.552 0.000 1.230 134 A CB -0.602 17.623 19.000 -1.292 0.000 1.175 134 A HN 0.189 nan 8.150 nan 0.000 0.468 135 A N -0.932 121.520 122.820 -0.613 0.000 1.902 135 A HA -0.084 4.237 4.320 0.001 0.000 0.217 135 A C 1.903 179.366 177.584 -0.202 0.000 1.181 135 A CA 1.557 53.416 52.037 -0.296 0.000 0.623 135 A CB -0.803 18.126 19.000 -0.119 0.000 0.818 135 A HN 0.724 nan 8.150 nan 0.000 0.443 136 W N -0.114 121.089 121.300 -0.162 0.000 2.444 136 W HA 0.023 4.684 4.660 0.001 0.000 0.308 136 W C -0.652 175.768 176.519 -0.166 0.000 1.183 136 W CA 1.545 58.807 57.345 -0.139 0.000 1.340 136 W CB -0.899 28.478 29.460 -0.138 0.000 1.138 136 W HN 0.267 nan 8.180 nan 0.000 0.510 137 P HA -0.226 nan 4.420 nan 0.000 0.215 137 P C 1.614 178.952 177.300 0.064 0.000 1.153 137 P CA 1.743 64.828 63.100 -0.026 0.000 0.853 137 P CB -0.180 31.563 31.700 0.073 0.000 0.788 138 I N -0.166 120.443 120.570 0.065 0.000 2.058 138 I HA -0.179 3.991 4.170 0.001 0.000 0.235 138 I C -0.553 175.612 176.117 0.080 0.000 1.053 138 I CA 2.456 63.812 61.300 0.093 0.000 1.313 138 I CB -2.800 35.214 38.000 0.024 0.000 1.039 138 I HN 0.028 nan 8.210 nan 0.000 0.396 139 P HA -0.046 nan 4.420 nan 0.000 0.219 139 P C 1.565 178.877 177.300 0.020 0.000 1.150 139 P CA 1.637 64.731 63.100 -0.010 0.000 0.814 139 P CB -0.046 31.591 31.700 -0.104 0.000 0.787 140 A N -1.114 121.715 122.820 0.016 0.000 1.877 140 A HA -0.217 4.103 4.320 0.001 0.000 0.216 140 A C 2.034 179.607 177.584 -0.019 0.000 1.186 140 A CA 1.429 53.471 52.037 0.008 0.000 0.620 140 A CB -1.909 17.085 19.000 -0.010 0.000 0.822 140 A HN 0.086 nan 8.150 nan 0.000 0.443 141 Y N -0.024 120.316 120.300 0.066 0.000 2.224 141 Y HA -0.115 4.435 4.550 0.001 0.000 0.289 141 Y C 2.214 178.151 175.900 0.061 0.000 1.146 141 Y CA 1.033 59.163 58.100 0.051 0.000 1.182 141 Y CB -0.528 37.956 38.460 0.039 0.000 0.983 141 Y HN 0.227 nan 8.280 nan 0.000 0.524 142 I N -0.711 119.985 120.570 0.210 0.000 2.226 142 I HA -0.317 3.854 4.170 0.001 0.000 0.245 142 I C 2.560 178.778 176.117 0.169 0.000 1.100 142 I CA 1.125 62.519 61.300 0.156 0.000 1.374 142 I CB -0.624 37.438 38.000 0.102 0.000 1.057 142 I HN 0.167 nan 8.210 nan 0.000 0.413 143 A N 0.126 123.031 122.820 0.143 0.000 1.883 143 A HA -0.250 4.070 4.320 0.001 0.000 0.217 143 A C 2.483 180.190 177.584 0.205 0.000 1.186 143 A CA 1.939 54.081 52.037 0.176 0.000 0.624 143 A CB -1.287 17.787 19.000 0.124 0.000 0.822 143 A HN 0.541 nan 8.150 nan 0.000 0.444 144 C N -0.526 118.866 119.300 0.153 0.000 2.398 144 C HA -0.119 4.342 4.460 0.001 0.000 0.276 144 C C 2.743 177.816 174.990 0.138 0.000 1.222 144 C CA 1.241 60.339 59.018 0.133 0.000 1.746 144 C CB -1.163 26.655 27.740 0.130 0.000 2.039 144 C HN 0.606 nan 8.230 nan 0.000 0.470 145 E N 0.035 120.328 120.200 0.155 0.000 2.051 145 E HA -0.186 4.165 4.350 0.001 0.000 0.192 145 E C 1.844 178.518 176.600 0.123 0.000 0.991 145 E CA 1.125 57.600 56.400 0.125 0.000 0.799 145 E CB -0.709 29.066 29.700 0.125 0.000 0.748 145 E HN 0.734 nan 8.360 nan 0.000 0.449 146 F N 1.081 121.048 119.950 0.028 0.000 2.154 146 F HA -0.187 4.340 4.527 0.001 0.000 0.301 146 F C 2.112 177.905 175.800 -0.013 0.000 1.087 146 F CA 1.060 59.058 58.000 -0.004 0.000 1.274 146 F CB -0.140 38.858 39.000 -0.002 0.000 1.009 146 F HN -0.050 nan 8.300 nan 0.000 0.485 147 L N -0.082 121.124 121.223 -0.028 0.000 2.492 147 L HA 0.225 4.566 4.340 0.001 0.000 0.223 147 L C 1.494 178.321 176.870 -0.072 0.000 1.132 147 L CA 1.018 55.801 54.840 -0.096 0.000 0.850 147 L CB -0.558 41.534 42.059 0.056 0.000 0.966 147 L HN 0.363 nan 8.230 nan 0.000 0.454 148 G N -0.181 108.601 108.800 -0.031 0.000 2.204 148 G HA2 -0.209 3.752 3.960 0.001 0.000 0.244 148 G HA3 -0.209 3.752 3.960 0.001 0.000 0.244 148 G C -0.012 174.918 174.900 0.050 0.000 1.062 148 G CA 0.018 45.113 45.100 -0.008 0.000 0.798 148 G HN 0.050 nan 8.290 nan 0.000 0.496 149 V N 1.181 121.149 119.914 0.091 0.000 2.488 149 V HA 0.332 4.453 4.120 0.001 0.000 0.277 149 V C -1.171 174.994 176.094 0.119 0.000 1.046 149 V CA -1.317 61.072 62.300 0.148 0.000 0.986 149 V CB 1.264 33.169 31.823 0.138 0.000 0.989 149 V HN 0.211 nan 8.190 nan 0.000 0.475 150 P HA 0.034 nan 4.420 nan 0.000 0.261 150 P C 0.866 178.219 177.300 0.087 0.000 1.173 150 P CA 0.217 63.374 63.100 0.095 0.000 0.760 150 P CB 0.422 32.184 31.700 0.104 0.000 0.783 151 R N 2.822 123.358 120.500 0.060 0.000 2.119 151 R HA -0.229 4.112 4.340 0.001 0.000 0.246 151 R C 0.900 177.233 176.300 0.055 0.000 1.146 151 R CA 1.884 58.013 56.100 0.048 0.000 0.962 151 R CB -0.284 30.026 30.300 0.017 0.000 0.863 151 R HN 0.471 nan 8.270 nan 0.000 0.442 152 D N 0.037 120.469 120.400 0.054 0.000 2.310 152 D HA -0.097 4.544 4.640 0.001 0.000 0.212 152 D C 0.702 177.040 176.300 0.064 0.000 0.965 152 D CA 0.959 54.990 54.000 0.052 0.000 0.879 152 D CB -0.057 40.770 40.800 0.046 0.000 0.921 152 D HN 0.274 nan 8.370 nan 0.000 0.510 153 D N -0.386 120.060 120.400 0.078 0.000 2.360 153 D HA 0.022 4.663 4.640 0.001 0.000 0.210 153 D C 1.829 178.125 176.300 -0.007 0.000 1.047 153 D CA 0.130 54.162 54.000 0.053 0.000 0.854 153 D CB 0.115 40.988 40.800 0.122 0.000 0.936 153 D HN 0.254 nan 8.370 nan 0.000 0.514 154 Q N 0.626 120.465 119.800 0.066 0.000 2.046 154 Q HA -0.049 4.291 4.340 0.001 0.000 0.200 154 Q C 2.189 178.243 176.000 0.091 0.000 0.975 154 Q CA 1.365 57.236 55.803 0.114 0.000 0.836 154 Q CB -0.036 28.877 28.738 0.291 0.000 0.896 154 Q HN 0.207 nan 8.270 nan 0.000 0.428 155 A N 1.781 124.705 122.820 0.173 0.000 1.865 155 A HA -0.300 4.020 4.320 0.001 0.000 0.217 155 A C 2.026 179.582 177.584 -0.047 0.000 1.191 155 A CA 1.851 53.939 52.037 0.085 0.000 0.623 155 A CB -0.822 18.253 19.000 0.125 0.000 0.826 155 A HN 0.526 nan 8.150 nan 0.000 0.444 156 E N -0.481 119.695 120.200 -0.041 0.000 2.065 156 E HA -0.268 4.083 4.350 0.001 0.000 0.201 156 E C 1.934 178.453 176.600 -0.135 0.000 1.016 156 E CA 1.892 58.246 56.400 -0.077 0.000 0.818 156 E CB -0.354 29.314 29.700 -0.054 0.000 0.749 156 E HN 0.424 nan 8.360 nan 0.000 0.453 157 L N 1.072 122.184 121.223 -0.184 0.000 2.093 157 L HA -0.078 4.262 4.340 0.001 0.000 0.208 157 L C 2.405 179.162 176.870 -0.188 0.000 1.085 157 L CA 1.835 56.526 54.840 -0.249 0.000 0.755 157 L CB -0.428 41.391 42.059 -0.400 0.000 0.904 157 L HN 0.059 nan 8.230 nan 0.000 0.435 158 S N -0.456 115.130 115.700 -0.190 0.000 2.368 158 S HA -0.201 4.269 4.470 0.001 0.000 0.225 158 S C 2.044 176.497 174.600 -0.245 0.000 1.030 158 S CA 1.363 59.438 58.200 -0.208 0.000 0.999 158 S CB -0.407 62.585 63.200 -0.347 0.000 0.844 158 S HN 0.464 nan 8.310 nan 0.000 0.459 159 R N 0.978 121.336 120.500 -0.236 0.000 2.080 159 R HA -0.059 4.282 4.340 0.001 0.000 0.236 159 R C 2.386 178.541 176.300 -0.241 0.000 1.137 159 R CA 1.618 57.568 56.100 -0.251 0.000 0.943 159 R CB -0.378 29.813 30.300 -0.181 0.000 0.846 159 R HN 0.361 nan 8.270 nan 0.000 0.431 160 M N 0.276 119.769 119.600 -0.179 0.000 2.144 160 M HA -0.230 4.251 4.480 0.001 0.000 0.260 160 M C 2.246 178.458 176.300 -0.147 0.000 1.067 160 M CA 1.720 56.934 55.300 -0.143 0.000 1.095 160 M CB -0.243 32.290 32.600 -0.111 0.000 1.365 160 M HN 0.256 nan 8.290 nan 0.000 0.406 161 I N -0.816 119.661 120.570 -0.154 0.000 2.142 161 I HA -0.328 3.842 4.170 0.001 0.000 0.240 161 I C 2.647 178.645 176.117 -0.199 0.000 1.078 161 I CA 1.377 62.620 61.300 -0.095 0.000 1.343 161 I CB -0.501 37.505 38.000 0.010 0.000 1.046 161 I HN 0.299 nan 8.210 nan 0.000 0.405 162 R N 1.267 121.447 120.500 -0.533 0.000 2.080 162 R HA -0.212 4.129 4.340 0.001 0.000 0.236 162 R C 2.187 178.209 176.300 -0.462 0.000 1.137 162 R CA 1.941 57.460 56.100 -0.968 0.000 0.943 162 R CB -0.209 29.191 30.300 -1.501 0.000 0.846 162 R HN 0.372 nan 8.270 nan 0.000 0.431 163 E N 0.179 120.171 120.200 -0.347 0.000 2.118 163 E HA -0.194 4.156 4.350 0.001 0.000 0.195 163 E C 1.955 178.476 176.600 -0.132 0.000 0.992 163 E CA 1.630 57.903 56.400 -0.212 0.000 0.804 163 E CB -0.106 29.488 29.700 -0.175 0.000 0.741 163 E HN 0.500 nan 8.360 nan 0.000 0.458 164 S N 0.499 116.133 115.700 -0.110 0.000 2.442 164 S HA -0.076 4.394 4.470 0.001 0.000 0.236 164 S C 1.780 176.366 174.600 -0.024 0.000 1.007 164 S CA 0.642 58.811 58.200 -0.052 0.000 0.965 164 S CB 0.062 63.244 63.200 -0.030 0.000 0.773 164 S HN 0.098 nan 8.310 nan 0.000 0.504 165 R N 0.491 120.976 120.500 -0.025 0.000 2.307 165 R HA 0.368 4.708 4.340 0.001 0.000 0.200 165 R C 1.218 177.530 176.300 0.021 0.000 0.893 165 R CA 0.553 56.672 56.100 0.032 0.000 1.042 165 R CB -0.144 30.230 30.300 0.124 0.000 1.059 165 R HN 0.640 nan 8.270 nan 0.000 0.530 166 E N 0.022 120.203 120.200 -0.032 0.000 2.536 166 E HA 0.090 4.440 4.350 0.001 0.000 0.220 166 E C -0.051 176.517 176.600 -0.053 0.000 0.876 166 E CA -0.096 56.285 56.400 -0.032 0.000 1.190 166 E CB 0.737 30.402 29.700 -0.059 0.000 1.191 166 E HN -0.078 nan 8.360 nan 0.000 0.557 167 S N 1.233 116.891 115.700 -0.070 0.000 2.552 167 S HA 0.008 4.478 4.470 0.001 0.000 0.289 167 S C 1.148 175.723 174.600 -0.041 0.000 1.304 167 S CA -0.080 58.082 58.200 -0.064 0.000 1.063 167 S CB 0.666 63.827 63.200 -0.066 0.000 0.848 167 S HN 0.161 nan 8.310 nan 0.000 0.499 168 R N 2.539 123.016 120.500 -0.038 0.000 2.159 168 R HA -0.007 4.333 4.340 0.001 0.000 0.237 168 R C 0.063 176.349 176.300 -0.024 0.000 1.131 168 R CA 0.962 57.045 56.100 -0.027 0.000 0.982 168 R CB -0.261 30.023 30.300 -0.027 0.000 0.868 168 R HN 0.576 nan 8.270 nan 0.000 0.453 169 L N 1.252 122.458 121.223 -0.028 0.000 2.255 169 L HA 0.209 4.549 4.340 0.001 0.000 0.289 169 L C -1.755 175.101 176.870 -0.022 0.000 1.046 169 L CA -1.926 52.900 54.840 -0.024 0.000 0.816 169 L CB 1.540 43.583 42.059 -0.027 0.000 1.197 169 L HN -0.182 nan 8.230 nan 0.000 0.427 170 P HA -0.178 nan 4.420 nan 0.000 0.215 170 P C 1.593 178.885 177.300 -0.013 0.000 1.153 170 P CA 1.079 64.172 63.100 -0.013 0.000 0.853 170 P CB 0.120 31.814 31.700 -0.009 0.000 0.788 171 R N -0.135 120.358 120.500 -0.013 0.000 2.113 171 R HA -0.237 4.104 4.340 0.001 0.000 0.244 171 R C 2.222 178.512 176.300 -0.017 0.000 1.142 171 R CA 1.702 57.794 56.100 -0.013 0.000 0.953 171 R CB -0.472 29.820 30.300 -0.012 0.000 0.860 171 R HN 0.153 nan 8.270 nan 0.000 0.438 172 Q N 0.007 119.794 119.800 -0.023 0.000 2.119 172 Q HA -0.112 4.229 4.340 0.001 0.000 0.201 172 Q C 2.135 178.115 176.000 -0.034 0.000 0.972 172 Q CA 1.299 57.083 55.803 -0.031 0.000 0.847 172 Q CB -0.198 28.516 28.738 -0.040 0.000 0.903 172 Q HN 0.427 nan 8.270 nan 0.000 0.433 173 R N -0.091 120.391 120.500 -0.030 0.000 2.081 173 R HA -0.074 4.267 4.340 0.001 0.000 0.235 173 R C 2.310 178.601 176.300 -0.016 0.000 1.131 173 R CA 1.700 57.784 56.100 -0.026 0.000 0.960 173 R CB -0.368 29.921 30.300 -0.018 0.000 0.856 173 R HN 0.252 nan 8.270 nan 0.000 0.436 174 T N 1.791 116.339 114.554 -0.010 0.000 2.737 174 T HA -0.081 4.269 4.350 0.001 0.000 0.265 174 T C 1.978 176.676 174.700 -0.004 0.000 1.038 174 T CA 0.988 63.086 62.100 -0.003 0.000 1.144 174 T CB -0.187 68.680 68.868 -0.002 0.000 0.866 174 T HN 0.110 nan 8.240 nan 0.000 0.434 175 L N 0.799 122.016 121.223 -0.009 0.000 1.989 175 L HA -0.127 4.213 4.340 0.001 0.000 0.211 175 L C 2.949 179.813 176.870 -0.010 0.000 1.071 175 L CA 1.222 56.056 54.840 -0.008 0.000 0.749 175 L CB -0.767 41.284 42.059 -0.013 0.000 0.890 175 L HN 0.235 nan 8.230 nan 0.000 0.431 176 S N 0.039 115.725 115.700 -0.023 0.000 2.370 176 S HA -0.156 4.315 4.470 0.001 0.000 0.226 176 S C 1.979 176.570 174.600 -0.015 0.000 1.033 176 S CA 1.273 59.455 58.200 -0.031 0.000 1.011 176 S CB -0.631 62.535 63.200 -0.056 0.000 0.852 176 S HN 0.635 nan 8.310 nan 0.000 0.457 177 G N 1.434 110.230 108.800 -0.006 0.000 2.422 177 G HA2 -0.148 3.812 3.960 0.001 0.000 0.218 177 G HA3 -0.148 3.812 3.960 0.001 0.000 0.218 177 G C 1.317 176.230 174.900 0.022 0.000 1.146 177 G CA 0.667 45.773 45.100 0.010 0.000 0.769 177 G HN 0.453 nan 8.290 nan 0.000 0.547 178 L N 0.698 121.932 121.223 0.018 0.000 2.072 178 L HA 0.086 4.426 4.340 0.001 0.000 0.205 178 L C 3.191 180.083 176.870 0.037 0.000 1.079 178 L CA 0.854 55.709 54.840 0.026 0.000 0.752 178 L CB -0.721 41.349 42.059 0.019 0.000 0.906 178 L HN 0.291 nan 8.230 nan 0.000 0.436 179 G N 0.828 109.647 108.800 0.031 0.000 2.476 179 G HA2 -0.250 3.710 3.960 0.001 0.000 0.218 179 G HA3 -0.250 3.710 3.960 0.001 0.000 0.218 179 G C 1.492 176.439 174.900 0.078 0.000 1.164 179 G CA 0.804 45.932 45.100 0.047 0.000 0.768 179 G HN 0.158 nan 8.290 nan 0.000 0.560 180 I N 0.996 121.598 120.570 0.052 0.000 2.179 180 I HA -0.121 4.050 4.170 0.001 0.000 0.242 180 I C 3.045 179.230 176.117 0.113 0.000 1.088 180 I CA 0.607 61.950 61.300 0.072 0.000 1.357 180 I CB -1.472 36.553 38.000 0.041 0.000 1.051 180 I HN 0.053 nan 8.210 nan 0.000 0.409 181 V N 1.734 121.696 119.914 0.081 0.000 2.287 181 V HA -0.284 3.837 4.120 0.001 0.000 0.248 181 V C 2.339 178.480 176.094 0.078 0.000 1.053 181 V CA 1.985 64.330 62.300 0.075 0.000 1.027 181 V CB -0.953 30.902 31.823 0.054 0.000 0.646 181 V HN 0.396 nan 8.190 nan 0.000 0.447 182 N N -0.753 117.993 118.700 0.077 0.000 2.120 182 N HA -0.186 4.554 4.740 0.001 0.000 0.188 182 N C 1.729 177.281 175.510 0.070 0.000 1.024 182 N CA 1.705 54.792 53.050 0.062 0.000 0.852 182 N CB -0.543 37.977 38.487 0.055 0.000 1.003 182 N HN 0.661 nan 8.380 nan 0.000 0.424 183 Y N 1.731 122.038 120.300 0.011 0.000 2.145 183 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 183 Y C 2.537 178.445 175.900 0.014 0.000 1.145 183 Y CA 2.179 60.286 58.100 0.012 0.000 1.148 183 Y CB -0.466 38.001 38.460 0.013 0.000 0.981 183 Y HN 0.195 nan 8.280 nan 0.000 0.507 184 T N -2.294 112.386 114.554 0.209 0.000 2.904 184 T HA -0.105 4.246 4.350 0.001 0.000 0.267 184 T C 1.736 176.453 174.700 0.027 0.000 1.059 184 T CA 1.257 63.438 62.100 0.135 0.000 1.137 184 T CB -0.276 68.678 68.868 0.144 0.000 0.879 184 T HN 0.264 nan 8.240 nan 0.000 0.467 185 K N 0.920 121.329 120.400 0.015 0.000 2.032 185 K HA -0.035 4.286 4.320 0.001 0.000 0.209 185 K C 2.824 179.393 176.600 -0.053 0.000 1.048 185 K CA 1.291 57.572 56.287 -0.009 0.000 0.927 185 K CB -0.185 32.315 32.500 -0.001 0.000 0.712 185 K HN 0.304 nan 8.250 nan 0.000 0.441 186 R N 0.548 120.985 120.500 -0.106 0.000 2.073 186 R HA -0.138 4.202 4.340 0.001 0.000 0.234 186 R C 2.397 178.588 176.300 -0.182 0.000 1.134 186 R CA 1.118 57.122 56.100 -0.161 0.000 0.952 186 R CB -0.459 29.694 30.300 -0.245 0.000 0.850 186 R HN 0.106 nan 8.270 nan 0.000 0.433 187 L N 0.789 121.871 121.223 -0.234 0.000 2.012 187 L HA -0.175 4.166 4.340 0.001 0.000 0.210 187 L C 2.001 178.829 176.870 -0.071 0.000 1.073 187 L CA 1.972 56.719 54.840 -0.156 0.000 0.748 187 L CB -0.777 41.234 42.059 -0.081 0.000 0.891 187 L HN 0.111 nan 8.230 nan 0.000 0.431 188 T N -0.736 113.791 114.554 -0.045 0.000 2.652 188 T HA -0.182 4.169 4.350 0.001 0.000 0.267 188 T C 1.889 176.570 174.700 -0.031 0.000 1.039 188 T CA 1.863 63.947 62.100 -0.026 0.000 1.153 188 T CB -0.391 68.472 68.868 -0.008 0.000 0.863 188 T HN 0.515 nan 8.240 nan 0.000 0.428 189 S N 1.076 116.752 115.700 -0.039 0.000 2.383 189 S HA -0.006 4.464 4.470 0.001 0.000 0.227 189 S C 2.435 177.011 174.600 -0.040 0.000 1.026 189 S CA 0.961 59.140 58.200 -0.035 0.000 0.981 189 S CB -0.938 62.241 63.200 -0.036 0.000 0.818 189 S HN 0.617 nan 8.310 nan 0.000 0.472 190 G N 2.470 111.237 108.800 -0.055 0.000 2.446 190 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 190 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 190 G C 1.456 176.331 174.900 -0.041 0.000 1.168 190 G CA 0.645 45.713 45.100 -0.052 0.000 0.771 190 G HN 0.327 nan 8.290 nan 0.000 0.551 191 K N 0.141 120.517 120.400 -0.040 0.000 2.296 191 K HA 0.061 4.381 4.320 0.001 0.000 0.200 191 K C 2.416 178.998 176.600 -0.031 0.000 1.048 191 K CA 0.431 56.696 56.287 -0.036 0.000 0.966 191 K CB 0.015 32.492 32.500 -0.039 0.000 0.754 191 K HN 0.202 nan 8.250 nan 0.000 0.466 192 R N 1.772 122.256 120.500 -0.027 0.000 2.075 192 R HA -0.039 4.301 4.340 0.001 0.000 0.232 192 R C 2.197 178.485 176.300 -0.020 0.000 1.126 192 R CA 1.460 57.548 56.100 -0.020 0.000 0.963 192 R CB -0.206 30.084 30.300 -0.015 0.000 0.858 192 R HN 0.069 nan 8.270 nan 0.000 0.435 193 R N -0.619 119.867 120.500 -0.022 0.000 2.062 193 R HA -0.061 4.280 4.340 0.001 0.000 0.229 193 R C -0.172 176.116 176.300 -0.021 0.000 1.128 193 R CA 1.623 57.711 56.100 -0.020 0.000 0.960 193 R CB -0.022 30.266 30.300 -0.021 0.000 0.855 193 R HN 0.121 nan 8.270 nan 0.000 0.432 194 D N 0.838 121.224 120.400 -0.024 0.000 2.434 194 D HA 0.174 4.814 4.640 0.001 0.000 0.275 194 D C -2.440 173.844 176.300 -0.027 0.000 1.172 194 D CA -2.528 51.458 54.000 -0.024 0.000 0.916 194 D CB 1.384 42.171 40.800 -0.022 0.000 1.041 194 D HN 0.086 nan 8.370 nan 0.000 0.501 195 P HA 0.187 nan 4.420 nan 0.000 0.252 195 P C 0.477 177.755 177.300 -0.038 0.000 1.694 195 P CA 0.008 63.087 63.100 -0.035 0.000 1.163 195 P CB 0.566 32.246 31.700 -0.034 0.000 1.934 196 G N 2.245 111.022 108.800 -0.038 0.000 3.022 196 G HA2 0.108 4.068 3.960 0.001 0.000 0.157 196 G HA3 0.108 4.068 3.960 0.001 0.000 0.157 196 G C -0.551 174.319 174.900 -0.049 0.000 1.468 196 G CA -0.292 44.786 45.100 -0.037 0.000 1.058 196 G HN 0.336 nan 8.290 nan 0.000 0.581 197 D N -1.049 119.324 120.400 -0.045 0.000 2.382 197 D HA 0.447 5.088 4.640 0.001 0.000 0.240 197 D C 0.625 176.870 176.300 -0.092 0.000 1.146 197 D CA 1.684 55.650 54.000 -0.057 0.000 0.897 197 D CB 0.458 41.237 40.800 -0.036 0.000 1.197 197 D HN 1.050 nan 8.370 nan 0.000 0.432 198 G N 2.104 110.819 108.800 -0.142 0.000 2.663 198 G HA2 -0.215 3.746 3.960 0.001 0.000 0.686 198 G HA3 -0.215 3.746 3.960 0.001 0.000 0.686 198 G C 0.641 175.335 174.900 -0.342 0.000 1.288 198 G CA -0.044 44.905 45.100 -0.252 0.000 0.836 198 G HN 0.809 nan 8.290 nan 0.000 0.584 199 M N 0.027 119.271 119.600 -0.594 0.000 2.082 199 M HA -0.049 4.431 4.480 0.001 0.000 0.258 199 M C 2.370 178.505 176.300 -0.275 0.000 1.069 199 M CA 2.827 57.774 55.300 -0.589 0.000 1.102 199 M CB -0.413 31.673 32.600 -0.856 0.000 1.336 199 M HN 0.593 nan 8.290 nan 0.000 0.404 200 I N 0.884 121.336 120.570 -0.196 0.000 2.226 200 I HA -0.150 4.021 4.170 0.001 0.000 0.245 200 I C 2.814 178.881 176.117 -0.084 0.000 1.100 200 I CA 1.372 62.611 61.300 -0.101 0.000 1.374 200 I CB -1.331 36.631 38.000 -0.064 0.000 1.057 200 I HN 0.568 nan 8.210 nan 0.000 0.413 201 G N 0.852 109.593 108.800 -0.098 0.000 2.421 201 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 201 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 201 G C 1.730 176.587 174.900 -0.072 0.000 1.171 201 G CA 0.961 46.016 45.100 -0.075 0.000 0.775 201 G HN 0.233 nan 8.290 nan 0.000 0.543 202 V N 1.251 121.108 119.914 -0.096 0.000 2.287 202 V HA -0.200 3.920 4.120 0.001 0.000 0.248 202 V C 2.803 178.874 176.094 -0.039 0.000 1.053 202 V CA 1.777 64.031 62.300 -0.076 0.000 1.027 202 V CB -0.428 31.334 31.823 -0.102 0.000 0.646 202 V HN 0.403 nan 8.190 nan 0.000 0.447 203 I N -0.544 120.010 120.570 -0.027 0.000 2.315 203 I HA -0.182 3.989 4.170 0.001 0.000 0.248 203 I C 2.311 178.449 176.117 0.036 0.000 1.117 203 I CA 1.036 62.360 61.300 0.040 0.000 1.404 203 I CB -0.347 37.666 38.000 0.021 0.000 1.071 203 I HN 0.149 nan 8.210 nan 0.000 0.419 204 V N 0.719 120.631 119.914 -0.004 0.000 2.307 204 V HA -0.227 3.893 4.120 0.001 0.000 0.245 204 V C 2.556 178.635 176.094 -0.023 0.000 1.045 204 V CA 1.719 64.015 62.300 -0.007 0.000 1.024 204 V CB -0.724 31.088 31.823 -0.018 0.000 0.651 204 V HN 0.346 nan 8.190 nan 0.000 0.449 205 R N -0.100 120.375 120.500 -0.040 0.000 2.091 205 R HA -0.183 4.158 4.340 0.001 0.000 0.238 205 R C 2.248 178.494 176.300 -0.090 0.000 1.136 205 R CA 1.907 57.973 56.100 -0.056 0.000 0.959 205 R CB -0.225 30.041 30.300 -0.056 0.000 0.856 205 R HN 0.636 nan 8.270 nan 0.000 0.437 206 E N -1.318 118.805 120.200 -0.127 0.000 2.166 206 E HA -0.010 4.340 4.350 0.001 0.000 0.192 206 E C 0.667 176.972 176.600 -0.491 0.000 0.967 206 E CA 0.566 56.786 56.400 -0.299 0.000 0.840 206 E CB 0.409 29.911 29.700 -0.330 0.000 0.795 206 E HN 0.477 nan 8.360 nan 0.000 0.470 207 H N -1.149 117.911 119.070 -0.017 0.000 2.665 207 H HA 0.202 4.759 4.556 0.001 0.000 0.248 207 H C 1.393 176.714 175.328 -0.011 0.000 1.175 207 H CA 0.305 56.345 56.048 -0.012 0.000 0.952 207 H CB 0.833 30.587 29.762 -0.013 0.000 1.883 207 H HN 0.160 nan 8.280 nan 0.000 0.623 208 G N 1.133 109.963 108.800 0.051 0.000 2.469 208 G HA2 -0.315 3.646 3.960 0.001 0.000 0.220 208 G HA3 -0.315 3.646 3.960 0.001 0.000 0.220 208 G C 1.770 176.691 174.900 0.035 0.000 1.136 208 G CA 1.094 46.213 45.100 0.033 0.000 0.759 208 G HN 0.433 nan 8.290 nan 0.000 0.562 209 A N 0.594 123.435 122.820 0.034 0.000 1.969 209 A HA 0.084 4.404 4.320 0.001 0.000 0.218 209 A C 2.042 179.651 177.584 0.042 0.000 1.169 209 A CA 1.770 53.826 52.037 0.031 0.000 0.635 209 A CB -0.174 18.841 19.000 0.024 0.000 0.810 209 A HN 0.370 nan 8.150 nan 0.000 0.445 210 E N -1.135 119.102 120.200 0.063 0.000 2.494 210 E HA 0.356 4.706 4.350 0.001 0.000 0.193 210 E C -0.175 176.449 176.600 0.040 0.000 1.074 210 E CA 0.066 56.499 56.400 0.055 0.000 0.867 210 E CB 0.196 29.937 29.700 0.068 0.000 0.924 210 E HN 0.631 nan 8.360 nan 0.000 0.502 211 I N 0.406 121.001 120.570 0.040 0.000 2.644 211 I HA 0.186 4.356 4.170 0.001 0.000 0.291 211 I C -0.573 175.563 176.117 0.033 0.000 1.180 211 I CA -0.791 60.529 61.300 0.034 0.000 1.040 211 I CB 1.445 39.460 38.000 0.026 0.000 1.255 211 I HN -0.014 nan 8.210 nan 0.000 0.422 212 S N 4.234 119.956 115.700 0.037 0.000 2.614 212 S HA 0.201 4.671 4.470 0.001 0.000 0.265 212 S C 0.645 175.263 174.600 0.031 0.000 1.303 212 S CA -0.452 57.768 58.200 0.034 0.000 1.000 212 S CB 1.175 64.399 63.200 0.040 0.000 0.935 212 S HN 0.670 nan 8.310 nan 0.000 0.551 213 D N 0.991 121.406 120.400 0.024 0.000 2.178 213 D HA -0.142 4.498 4.640 0.001 0.000 0.201 213 D C 1.929 178.246 176.300 0.028 0.000 0.980 213 D CA 1.718 55.730 54.000 0.020 0.000 0.842 213 D CB -0.132 40.675 40.800 0.013 0.000 0.948 213 D HN 0.950 nan 8.370 nan 0.000 0.472 214 E N 1.242 121.463 120.200 0.035 0.000 2.112 214 E HA -0.129 4.221 4.350 0.001 0.000 0.190 214 E C 1.705 178.341 176.600 0.059 0.000 0.979 214 E CA 0.695 57.122 56.400 0.044 0.000 0.814 214 E CB -0.197 29.530 29.700 0.045 0.000 0.762 214 E HN 0.201 nan 8.360 nan 0.000 0.460 215 E N 0.442 120.682 120.200 0.066 0.000 2.077 215 E HA -0.169 4.182 4.350 0.001 0.000 0.193 215 E C 2.134 178.763 176.600 0.049 0.000 0.989 215 E CA 1.006 57.452 56.400 0.078 0.000 0.800 215 E CB -0.099 29.651 29.700 0.084 0.000 0.746 215 E HN 0.223 nan 8.360 nan 0.000 0.452 216 L N 0.962 122.206 121.223 0.036 0.000 2.046 216 L HA -0.131 4.209 4.340 0.001 0.000 0.208 216 L C 2.180 179.069 176.870 0.032 0.000 1.077 216 L CA 2.003 56.858 54.840 0.025 0.000 0.747 216 L CB -0.628 41.441 42.059 0.017 0.000 0.896 216 L HN 0.015 nan 8.230 nan 0.000 0.432 217 A N -0.734 122.108 122.820 0.035 0.000 1.873 217 A HA -0.033 4.288 4.320 0.001 0.000 0.215 217 A C 2.347 179.965 177.584 0.056 0.000 1.186 217 A CA 1.455 53.517 52.037 0.041 0.000 0.616 217 A CB -1.555 17.466 19.000 0.036 0.000 0.823 217 A HN 0.504 nan 8.150 nan 0.000 0.442 218 G N -0.060 108.777 108.800 0.061 0.000 2.418 218 G HA2 -0.173 3.787 3.960 0.001 0.000 0.217 218 G HA3 -0.173 3.787 3.960 0.001 0.000 0.217 218 G C 1.528 176.471 174.900 0.072 0.000 1.158 218 G CA 1.244 46.388 45.100 0.073 0.000 0.771 218 G HN 0.582 nan 8.290 nan 0.000 0.545 219 L N 1.178 122.435 121.223 0.058 0.000 2.083 219 L HA 0.161 4.502 4.340 0.001 0.000 0.209 219 L C 3.001 179.920 176.870 0.082 0.000 1.083 219 L CA 2.215 57.087 54.840 0.055 0.000 0.752 219 L CB -0.539 41.537 42.059 0.028 0.000 0.899 219 L HN 0.214 nan 8.230 nan 0.000 0.433 220 A N -0.665 122.200 122.820 0.073 0.000 1.877 220 A HA -0.259 4.062 4.320 0.001 0.000 0.216 220 A C 2.347 179.994 177.584 0.105 0.000 1.186 220 A CA 1.818 53.905 52.037 0.085 0.000 0.620 220 A CB -0.835 18.204 19.000 0.065 0.000 0.822 220 A HN 0.631 nan 8.150 nan 0.000 0.443 221 E N -0.502 119.755 120.200 0.096 0.000 2.038 221 E HA -0.154 4.196 4.350 0.001 0.000 0.195 221 E C 2.150 178.809 176.600 0.098 0.000 1.000 221 E CA 1.230 57.688 56.400 0.097 0.000 0.803 221 E CB -0.475 29.276 29.700 0.085 0.000 0.750 221 E HN 0.496 nan 8.360 nan 0.000 0.448 222 G N 1.165 110.023 108.800 0.095 0.000 2.446 222 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 222 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 222 G C 1.501 176.466 174.900 0.109 0.000 1.168 222 G CA 0.928 46.085 45.100 0.094 0.000 0.771 222 G HN 0.273 nan 8.290 nan 0.000 0.551 223 N N -0.043 118.740 118.700 0.138 0.000 2.216 223 N HA -0.056 4.684 4.740 0.001 0.000 0.183 223 N C 2.139 177.759 175.510 0.182 0.000 1.017 223 N CA 0.871 54.033 53.050 0.187 0.000 0.861 223 N CB -0.071 38.588 38.487 0.286 0.000 0.986 223 N HN 0.236 nan 8.380 nan 0.000 0.428 224 L N 1.732 123.054 121.223 0.165 0.000 2.017 224 L HA -0.061 4.279 4.340 0.001 0.000 0.208 224 L C 2.009 178.952 176.870 0.121 0.000 1.073 224 L CA 1.375 56.304 54.840 0.148 0.000 0.745 224 L CB -0.495 41.639 42.059 0.125 0.000 0.894 224 L HN 0.057 nan 8.230 nan 0.000 0.432 225 I N -1.379 119.257 120.570 0.111 0.000 2.202 225 I HA -0.316 3.855 4.170 0.001 0.000 0.242 225 I C 2.513 178.689 176.117 0.098 0.000 1.091 225 I CA 1.574 62.941 61.300 0.111 0.000 1.368 225 I CB -0.227 37.833 38.000 0.099 0.000 1.058 225 I HN 0.294 nan 8.210 nan 0.000 0.410 226 M N 0.026 119.675 119.600 0.082 0.000 2.086 226 M HA -0.214 4.266 4.480 0.001 0.000 0.261 226 M C 2.521 178.838 176.300 0.029 0.000 1.067 226 M CA 2.049 57.382 55.300 0.055 0.000 1.116 226 M CB -0.360 32.274 32.600 0.057 0.000 1.348 226 M HN 0.344 nan 8.290 nan 0.000 0.407 227 A N 0.115 122.961 122.820 0.044 0.000 1.908 227 A HA -0.115 4.205 4.320 0.001 0.000 0.218 227 A C 2.258 179.830 177.584 -0.021 0.000 1.181 227 A CA 2.054 54.097 52.037 0.010 0.000 0.627 227 A CB -0.916 18.098 19.000 0.024 0.000 0.818 227 A HN 0.543 nan 8.150 nan 0.000 0.445 228 A N -0.719 122.105 122.820 0.007 0.000 1.854 228 A HA -0.111 4.210 4.320 0.001 0.000 0.214 228 A C 2.073 179.490 177.584 -0.278 0.000 1.192 228 A CA 1.666 53.682 52.037 -0.034 0.000 0.611 228 A CB -0.522 18.572 19.000 0.157 0.000 0.832 228 A HN 0.619 nan 8.150 nan 0.000 0.442 229 E N -0.869 119.226 120.200 -0.174 0.000 2.072 229 E HA -0.186 4.164 4.350 0.001 0.000 0.190 229 E C 2.218 178.641 176.600 -0.296 0.000 0.982 229 E CA 0.977 57.191 56.400 -0.310 0.000 0.803 229 E CB -0.070 29.645 29.700 0.026 0.000 0.755 229 E HN 0.513 nan 8.360 nan 0.000 0.453 230 Q N -0.227 119.487 119.800 -0.143 0.000 2.084 230 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 230 Q C 2.122 178.045 176.000 -0.128 0.000 0.978 230 Q CA 1.084 56.832 55.803 -0.092 0.000 0.844 230 Q CB -0.186 28.541 28.738 -0.019 0.000 0.898 230 Q HN 0.381 nan 8.270 nan 0.000 0.426 231 M N -0.222 119.290 119.600 -0.147 0.000 2.254 231 M HA -0.005 4.476 4.480 0.001 0.000 0.265 231 M C 2.158 178.329 176.300 -0.216 0.000 1.066 231 M CA 0.985 56.208 55.300 -0.129 0.000 1.123 231 M CB -0.967 31.586 32.600 -0.079 0.000 1.388 231 M HN 0.134 nan 8.290 nan 0.000 0.425 232 A N 0.529 123.098 122.820 -0.419 0.000 1.873 232 A HA -0.141 4.179 4.320 0.001 0.000 0.218 232 A C 2.399 179.745 177.584 -0.396 0.000 1.193 232 A CA 2.514 54.188 52.037 -0.604 0.000 0.629 232 A CB -1.041 17.083 19.000 -1.460 0.000 0.826 232 A HN 0.479 nan 8.150 nan 0.000 0.447 233 A N -1.297 121.319 122.820 -0.339 0.000 1.877 233 A HA -0.203 4.118 4.320 0.001 0.000 0.216 233 A C 2.175 179.712 177.584 -0.078 0.000 1.186 233 A CA 2.222 54.157 52.037 -0.169 0.000 0.620 233 A CB -0.602 18.329 19.000 -0.115 0.000 0.822 233 A HN 0.547 nan 8.150 nan 0.000 0.443 234 Q N -0.737 119.018 119.800 -0.076 0.000 2.084 234 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 234 Q C 1.839 177.831 176.000 -0.014 0.000 0.978 234 Q CA 1.801 57.584 55.803 -0.034 0.000 0.844 234 Q CB -0.471 28.245 28.738 -0.037 0.000 0.898 234 Q HN 0.518 nan 8.270 nan 0.000 0.426 235 L N -0.171 121.039 121.223 -0.021 0.000 2.072 235 L HA 0.085 4.426 4.340 0.001 0.000 0.205 235 L C 2.032 178.960 176.870 0.098 0.000 1.079 235 L CA 2.122 56.986 54.840 0.040 0.000 0.752 235 L CB -1.082 41.000 42.059 0.037 0.000 0.906 235 L HN 0.228 nan 8.230 nan 0.000 0.436 236 A N -1.339 121.532 122.820 0.085 0.000 1.930 236 A HA -0.097 4.223 4.320 0.001 0.000 0.217 236 A C 2.218 179.829 177.584 0.045 0.000 1.175 236 A CA 1.780 53.897 52.037 0.132 0.000 0.627 236 A CB -0.898 18.161 19.000 0.098 0.000 0.815 236 A HN 0.291 nan 8.150 nan 0.000 0.443 237 V N -0.273 119.665 119.914 0.040 0.000 2.453 237 V HA -0.161 3.960 4.120 0.001 0.000 0.247 237 V C 3.016 179.090 176.094 -0.034 0.000 1.048 237 V CA 1.571 63.904 62.300 0.055 0.000 1.049 237 V CB -1.107 30.793 31.823 0.129 0.000 0.672 237 V HN 0.595 nan 8.190 nan 0.000 0.457 238 A N 0.054 122.851 122.820 -0.038 0.000 1.883 238 A HA -0.188 4.133 4.320 0.001 0.000 0.217 238 A C 2.400 179.909 177.584 -0.126 0.000 1.186 238 A CA 2.335 54.329 52.037 -0.072 0.000 0.624 238 A CB -0.734 18.262 19.000 -0.007 0.000 0.822 238 A HN 0.331 nan 8.150 nan 0.000 0.444 239 V N -0.296 119.535 119.914 -0.138 0.000 2.358 239 V HA -0.205 3.916 4.120 0.001 0.000 0.246 239 V C 2.477 178.432 176.094 -0.232 0.000 1.047 239 V CA 1.801 63.945 62.300 -0.261 0.000 1.035 239 V CB -0.816 30.660 31.823 -0.578 0.000 0.658 239 V HN 0.608 nan 8.190 nan 0.000 0.452 240 L N -0.111 121.013 121.223 -0.166 0.000 2.013 240 L HA -0.213 4.127 4.340 0.001 0.000 0.212 240 L C 2.204 179.006 176.870 -0.113 0.000 1.073 240 L CA 2.021 56.806 54.840 -0.093 0.000 0.753 240 L CB -0.623 41.443 42.059 0.012 0.000 0.890 240 L HN 0.211 nan 8.230 nan 0.000 0.432 241 L N -1.439 119.641 121.223 -0.238 0.000 2.017 241 L HA -0.245 4.096 4.340 0.001 0.000 0.208 241 L C 2.540 179.196 176.870 -0.356 0.000 1.073 241 L CA 1.433 55.958 54.840 -0.525 0.000 0.745 241 L CB -0.485 40.871 42.059 -1.172 0.000 0.894 241 L HN 0.321 nan 8.230 nan 0.000 0.432 242 L N -0.606 120.492 121.223 -0.208 0.000 2.056 242 L HA -0.174 4.167 4.340 0.001 0.000 0.207 242 L C 2.569 179.467 176.870 0.047 0.000 1.078 242 L CA 1.191 56.046 54.840 0.025 0.000 0.749 242 L CB -0.553 41.523 42.059 0.029 0.000 0.901 242 L HN 0.258 nan 8.230 nan 0.000 0.433 243 V N -3.424 116.472 119.914 -0.030 0.000 2.667 243 V HA -0.143 3.978 4.120 0.001 0.000 0.252 243 V C 2.170 178.263 176.094 -0.002 0.000 1.065 243 V CA 1.810 64.095 62.300 -0.024 0.000 1.083 243 V CB -1.282 30.496 31.823 -0.075 0.000 0.692 243 V HN 0.599 nan 8.190 nan 0.000 0.468 244 T N -2.525 112.037 114.554 0.013 0.000 3.169 244 T HA 0.166 4.516 4.350 0.001 0.000 0.250 244 T C 0.338 174.915 174.700 -0.204 0.000 1.111 244 T CA 0.479 62.546 62.100 -0.056 0.000 1.010 244 T CB -0.692 68.142 68.868 -0.057 0.000 0.984 244 T HN 0.710 nan 8.240 nan 0.000 0.537 245 H N 0.530 119.612 119.070 0.021 0.000 2.514 245 H HA 0.343 4.899 4.556 0.001 0.000 0.226 245 H C -2.378 172.995 175.328 0.075 0.000 1.421 245 H CA -1.699 54.399 56.048 0.084 0.000 1.394 245 H CB 1.176 31.074 29.762 0.226 0.000 1.701 245 H HN 0.116 nan 8.280 nan 0.000 0.515 246 P HA -0.151 nan 4.420 nan 0.000 0.220 246 P C 1.302 178.646 177.300 0.074 0.000 1.148 246 P CA 1.113 64.257 63.100 0.073 0.000 0.803 246 P CB 0.595 32.317 31.700 0.036 0.000 0.782 247 D N -0.339 120.107 120.400 0.076 0.000 2.084 247 D HA -0.186 4.455 4.640 0.001 0.000 0.194 247 D C 2.003 178.337 176.300 0.057 0.000 0.990 247 D CA 1.311 55.345 54.000 0.056 0.000 0.826 247 D CB -0.401 40.428 40.800 0.049 0.000 0.971 247 D HN 0.130 nan 8.370 nan 0.000 0.453 248 Q N -0.332 119.518 119.800 0.083 0.000 2.096 248 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 248 Q C 2.392 178.431 176.000 0.064 0.000 0.982 248 Q CA 1.020 56.854 55.803 0.052 0.000 0.850 248 Q CB -0.342 28.428 28.738 0.053 0.000 0.901 248 Q HN 0.428 nan 8.270 nan 0.000 0.422 249 M N 0.624 120.284 119.600 0.100 0.000 2.082 249 M HA -0.220 4.261 4.480 0.001 0.000 0.258 249 M C 2.178 178.511 176.300 0.056 0.000 1.069 249 M CA 1.941 57.290 55.300 0.081 0.000 1.102 249 M CB -0.171 32.477 32.600 0.080 0.000 1.336 249 M HN 0.279 nan 8.290 nan 0.000 0.404 250 A N -0.285 122.565 122.820 0.049 0.000 1.969 250 A HA -0.111 4.209 4.320 0.001 0.000 0.218 250 A C 1.855 179.454 177.584 0.025 0.000 1.169 250 A CA 1.179 53.237 52.037 0.036 0.000 0.635 250 A CB -0.721 18.298 19.000 0.032 0.000 0.810 250 A HN 0.482 nan 8.150 nan 0.000 0.445 251 L N -0.991 120.244 121.223 0.020 0.000 2.012 251 L HA -0.166 4.175 4.340 0.001 0.000 0.210 251 L C 2.403 179.277 176.870 0.007 0.000 1.073 251 L CA 1.658 56.502 54.840 0.006 0.000 0.748 251 L CB -0.649 41.405 42.059 -0.009 0.000 0.891 251 L HN 0.455 nan 8.230 nan 0.000 0.431 252 L N -0.754 120.477 121.223 0.013 0.000 2.093 252 L HA -0.170 4.170 4.340 0.001 0.000 0.208 252 L C 2.668 179.552 176.870 0.023 0.000 1.085 252 L CA 1.571 56.421 54.840 0.017 0.000 0.755 252 L CB -0.579 41.496 42.059 0.028 0.000 0.904 252 L HN 0.178 nan 8.230 nan 0.000 0.435 253 R N -0.883 119.633 120.500 0.028 0.000 2.096 253 R HA -0.134 4.206 4.340 0.001 0.000 0.235 253 R C 1.860 178.171 176.300 0.019 0.000 1.127 253 R CA 1.515 57.632 56.100 0.027 0.000 0.968 253 R CB 0.072 30.391 30.300 0.031 0.000 0.861 253 R HN 0.383 nan 8.270 nan 0.000 0.440 254 E N 0.090 120.300 120.200 0.015 0.000 2.216 254 E HA 0.012 4.362 4.350 0.001 0.000 0.192 254 E C 0.068 176.672 176.600 0.008 0.000 0.973 254 E CA 0.815 57.222 56.400 0.011 0.000 0.851 254 E CB 0.459 30.164 29.700 0.010 0.000 0.804 254 E HN 0.194 nan 8.360 nan 0.000 0.477 255 K N 1.457 121.861 120.400 0.007 0.000 2.533 255 K HA 0.228 4.549 4.320 0.001 0.000 0.207 255 K C -2.170 174.434 176.600 0.007 0.000 1.052 255 K CA -1.487 54.803 56.287 0.004 0.000 1.030 255 K CB 1.540 34.040 32.500 -0.001 0.000 1.522 255 K HN -0.179 nan 8.250 nan 0.000 0.543 256 P HA -0.226 nan 4.420 nan 0.000 0.223 256 P C 0.947 178.256 177.300 0.014 0.000 1.144 256 P CA 0.981 64.090 63.100 0.015 0.000 0.783 256 P CB 0.218 31.928 31.700 0.016 0.000 0.771 257 E N 0.211 120.417 120.200 0.010 0.000 2.516 257 E HA -0.101 4.249 4.350 0.001 0.000 0.199 257 E C 1.421 178.025 176.600 0.007 0.000 1.069 257 E CA 0.599 57.005 56.400 0.010 0.000 0.876 257 E CB -0.995 28.709 29.700 0.007 0.000 0.843 257 E HN 0.328 nan 8.360 nan 0.000 0.530 258 L N 0.444 121.669 121.223 0.003 0.000 2.554 258 L HA 0.003 4.344 4.340 0.001 0.000 0.226 258 L C 2.217 179.090 176.870 0.004 0.000 1.137 258 L CA -0.203 54.635 54.840 -0.004 0.000 0.863 258 L CB -0.269 41.781 42.059 -0.016 0.000 0.985 258 L HN 0.087 nan 8.230 nan 0.000 0.451 259 I N 0.632 121.212 120.570 0.017 0.000 2.194 259 I HA -0.331 3.839 4.170 0.001 0.000 0.246 259 I C 1.885 178.023 176.117 0.035 0.000 1.093 259 I CA 1.780 63.097 61.300 0.029 0.000 1.355 259 I CB -0.206 37.815 38.000 0.035 0.000 1.046 259 I HN 0.226 nan 8.210 nan 0.000 0.413 260 D N -0.214 120.207 120.400 0.034 0.000 2.097 260 D HA -0.146 4.494 4.640 0.001 0.000 0.195 260 D C 2.498 178.826 176.300 0.047 0.000 0.989 260 D CA 1.842 55.869 54.000 0.046 0.000 0.827 260 D CB -0.384 40.441 40.800 0.041 0.000 0.966 260 D HN 0.522 nan 8.370 nan 0.000 0.456 261 S N 0.258 115.973 115.700 0.024 0.000 2.428 261 S HA 0.032 4.503 4.470 0.001 0.000 0.230 261 S C 2.111 176.709 174.600 -0.003 0.000 1.014 261 S CA 0.926 59.134 58.200 0.014 0.000 0.957 261 S CB -0.180 63.014 63.200 -0.011 0.000 0.784 261 S HN 0.224 nan 8.310 nan 0.000 0.499 262 A N 2.309 125.124 122.820 -0.009 0.000 1.902 262 A HA -0.048 4.272 4.320 0.001 0.000 0.217 262 A C 2.572 180.182 177.584 0.043 0.000 1.181 262 A CA 2.202 54.232 52.037 -0.011 0.000 0.623 262 A CB -1.718 17.284 19.000 0.003 0.000 0.818 262 A HN 0.759 nan 8.150 nan 0.000 0.443 263 T N -2.124 112.466 114.554 0.059 0.000 2.821 263 T HA -0.129 4.222 4.350 0.001 0.000 0.267 263 T C 1.575 176.320 174.700 0.076 0.000 1.046 263 T CA 1.570 63.716 62.100 0.078 0.000 1.139 263 T CB -0.328 68.596 68.868 0.093 0.000 0.871 263 T HN 0.374 nan 8.240 nan 0.000 0.454 264 E N 1.161 121.419 120.200 0.097 0.000 2.077 264 E HA -0.105 4.245 4.350 0.001 0.000 0.193 264 E C 2.160 178.772 176.600 0.020 0.000 0.989 264 E CA 1.552 58.028 56.400 0.127 0.000 0.800 264 E CB -0.477 29.343 29.700 0.201 0.000 0.746 264 E HN 0.715 nan 8.360 nan 0.000 0.452 265 E N 0.713 120.930 120.200 0.029 0.000 2.072 265 E HA -0.123 4.228 4.350 0.001 0.000 0.191 265 E C 2.126 178.801 176.600 0.125 0.000 0.985 265 E CA 1.377 57.794 56.400 0.029 0.000 0.801 265 E CB -0.111 29.530 29.700 -0.099 0.000 0.750 265 E HN 0.168 nan 8.360 nan 0.000 0.452 266 V N -0.806 119.199 119.914 0.153 0.000 2.427 266 V HA -0.172 3.949 4.120 0.001 0.000 0.248 266 V C 2.322 178.410 176.094 -0.010 0.000 1.051 266 V CA 1.558 63.940 62.300 0.138 0.000 1.048 266 V CB -0.789 31.099 31.823 0.109 0.000 0.666 266 V HN 0.206 nan 8.190 nan 0.000 0.456 267 L N -0.057 121.090 121.223 -0.127 0.000 2.017 267 L HA -0.119 4.221 4.340 0.001 0.000 0.208 267 L C 3.025 179.652 176.870 -0.404 0.000 1.073 267 L CA 2.393 57.037 54.840 -0.327 0.000 0.745 267 L CB -0.736 41.018 42.059 -0.508 0.000 0.894 267 L HN 0.298 nan 8.230 nan 0.000 0.432 268 R N -0.517 119.718 120.500 -0.442 0.000 2.082 268 R HA -0.253 4.088 4.340 0.001 0.000 0.234 268 R C 2.413 178.656 176.300 -0.095 0.000 1.136 268 R CA 2.260 58.202 56.100 -0.264 0.000 0.935 268 R CB -0.412 29.843 30.300 -0.076 0.000 0.842 268 R HN 0.378 nan 8.270 nan 0.000 0.430 269 H N -0.353 118.669 119.070 -0.080 0.000 2.357 269 H HA 0.035 4.592 4.556 0.001 0.000 0.301 269 H C 1.841 177.108 175.328 -0.101 0.000 1.082 269 H CA 1.989 58.010 56.048 -0.045 0.000 1.342 269 H CB -0.075 29.725 29.762 0.064 0.000 1.389 269 H HN 0.420 nan 8.280 nan 0.000 0.511 270 A N -0.182 122.647 122.820 0.015 0.000 1.902 270 A HA -0.098 4.223 4.320 0.001 0.000 0.217 270 A C 1.412 178.926 177.584 -0.117 0.000 1.181 270 A CA 1.198 53.219 52.037 -0.026 0.000 0.623 270 A CB -0.593 18.416 19.000 0.015 0.000 0.818 270 A HN 0.433 nan 8.150 nan 0.000 0.443 271 S N -1.245 114.371 115.700 -0.141 0.000 3.447 271 S HA -0.193 4.278 4.470 0.001 0.000 0.371 271 S C 0.742 175.291 174.600 -0.085 0.000 0.951 271 S CA 0.560 58.675 58.200 -0.143 0.000 1.269 271 S CB -1.446 61.656 63.200 -0.163 0.000 0.919 271 S HN 0.481 nan 8.310 nan 0.000 0.516 272 I N 0.453 121.001 120.570 -0.037 0.000 2.248 272 I HA -0.143 4.027 4.170 0.001 0.000 0.248 272 I C 1.060 177.213 176.117 0.060 0.000 1.107 272 I CA 1.549 62.882 61.300 0.055 0.000 1.373 272 I CB -0.026 37.980 38.000 0.009 0.000 1.055 272 I HN 0.446 nan 8.210 nan 0.000 0.418 273 V N 1.196 121.114 119.914 0.006 0.000 2.318 273 V HA 0.129 4.250 4.120 0.001 0.000 0.271 273 V C 1.053 177.163 176.094 0.025 0.000 1.030 273 V CA -0.376 61.943 62.300 0.032 0.000 0.844 273 V CB 0.919 32.754 31.823 0.020 0.000 1.015 273 V HN 0.255 nan 8.190 nan 0.000 0.460 274 E N 3.290 123.530 120.200 0.067 0.000 2.216 274 E HA 0.273 4.624 4.350 0.001 0.000 0.192 274 E C 0.683 177.279 176.600 -0.007 0.000 0.988 274 E CA 0.868 57.275 56.400 0.013 0.000 0.834 274 E CB 0.472 30.202 29.700 0.051 0.000 0.772 274 E HN 0.786 nan 8.360 nan 0.000 0.479 275 A N 1.550 124.423 122.820 0.089 0.000 2.513 275 A HA 0.405 4.725 4.320 0.001 0.000 0.296 275 A C -2.630 175.004 177.584 0.084 0.000 1.052 275 A CA -1.296 50.785 52.037 0.074 0.000 0.714 275 A CB 0.962 20.020 19.000 0.096 0.000 1.279 275 A HN -0.133 nan 8.150 nan 0.000 0.397 276 P HA 0.487 nan 4.420 nan 0.000 0.293 276 P C 0.399 177.722 177.300 0.039 0.000 1.298 276 P CA -0.016 63.109 63.100 0.043 0.000 0.757 276 P CB 0.442 32.162 31.700 0.034 0.000 1.262 277 A N 0.181 123.008 122.820 0.012 0.000 2.531 277 A HA 0.253 4.573 4.320 0.001 0.000 0.236 277 A C -1.947 175.654 177.584 0.029 0.000 1.062 277 A CA -0.621 51.423 52.037 0.012 0.000 0.760 277 A CB -1.854 17.131 19.000 -0.026 0.000 0.995 277 A HN 0.379 nan 8.150 nan 0.000 0.501 278 P HA 0.121 nan 4.420 nan 0.000 0.265 278 P C -0.453 176.891 177.300 0.074 0.000 1.193 278 P CA 0.258 63.400 63.100 0.069 0.000 0.765 278 P CB 0.367 32.113 31.700 0.077 0.000 0.823 279 R N 2.174 122.730 120.500 0.093 0.000 2.407 279 R HA 0.481 4.821 4.340 0.001 0.000 0.303 279 R C -0.767 175.657 176.300 0.207 0.000 0.981 279 R CA -0.928 55.255 56.100 0.138 0.000 0.905 279 R CB 0.826 31.196 30.300 0.117 0.000 1.099 279 R HN 0.212 nan 8.270 nan 0.000 0.459 280 V N 2.439 122.481 119.914 0.213 0.000 2.370 280 V HA 0.393 4.513 4.120 0.001 0.000 0.283 280 V C 0.408 176.625 176.094 0.204 0.000 1.023 280 V CA -1.163 61.254 62.300 0.193 0.000 0.857 280 V CB 1.497 33.391 31.823 0.118 0.000 0.985 280 V HN 0.861 nan 8.190 nan 0.000 0.443 281 A N 5.245 128.192 122.820 0.211 0.000 2.488 281 A HA 0.454 4.774 4.320 0.001 0.000 0.249 281 A C 0.758 178.293 177.584 -0.081 0.000 1.083 281 A CA 0.033 52.053 52.037 -0.028 0.000 0.768 281 A CB 0.082 19.114 19.000 0.054 0.000 1.017 281 A HN 0.925 nan 8.150 nan 0.000 0.496 282 L N 1.149 122.250 121.223 -0.205 0.000 2.616 282 L HA 0.369 4.710 4.340 0.001 0.000 0.229 282 L C 0.951 177.749 176.870 -0.119 0.000 1.110 282 L CA 0.727 55.497 54.840 -0.118 0.000 0.884 282 L CB -0.173 41.824 42.059 -0.105 0.000 1.115 282 L HN 0.821 nan 8.230 nan 0.000 0.481 283 A N -1.131 121.582 122.820 -0.178 0.000 2.609 283 A HA 0.504 4.824 4.320 0.001 0.000 0.291 283 A C -1.546 175.977 177.584 -0.101 0.000 1.096 283 A CA -0.718 51.247 52.037 -0.120 0.000 0.684 283 A CB 0.950 19.869 19.000 -0.135 0.000 1.282 283 A HN -0.056 nan 8.150 nan 0.000 0.412 284 D N 0.453 120.838 120.400 -0.024 0.000 2.425 284 D HA 0.438 5.078 4.640 0.001 0.000 0.247 284 D C -0.471 175.799 176.300 -0.050 0.000 1.147 284 D CA 0.763 54.771 54.000 0.014 0.000 0.879 284 D CB 1.104 41.956 40.800 0.086 0.000 1.179 284 D HN 0.268 nan 8.370 nan 0.000 0.456 285 V N 2.446 122.322 119.914 -0.063 0.000 2.760 285 V HA 0.360 4.480 4.120 0.001 0.000 0.309 285 V C -0.158 175.889 176.094 -0.078 0.000 1.077 285 V CA -1.008 61.259 62.300 -0.055 0.000 0.910 285 V CB 2.319 34.146 31.823 0.006 0.000 1.008 285 V HN 0.366 nan 8.190 nan 0.000 0.424 286 R N 4.299 124.759 120.500 -0.067 0.000 2.265 286 R HA 0.781 5.122 4.340 0.001 0.000 0.319 286 R C -0.831 175.412 176.300 -0.096 0.000 1.006 286 R CA -0.116 55.929 56.100 -0.091 0.000 0.880 286 R CB 1.002 31.265 30.300 -0.061 0.000 1.077 286 R HN 0.796 nan 8.270 nan 0.000 0.454 287 M N 4.093 123.602 119.600 -0.152 0.000 2.277 287 M HA 0.397 4.878 4.480 0.001 0.000 0.282 287 M C -0.771 175.420 176.300 -0.182 0.000 1.074 287 M CA 0.055 55.261 55.300 -0.157 0.000 0.954 287 M CB 2.105 34.595 32.600 -0.183 0.000 1.672 287 M HN 0.890 nan 8.290 nan 0.000 0.471 288 A N 3.251 125.992 122.820 -0.133 0.000 2.596 288 A HA 0.024 4.344 4.320 0.001 0.000 0.300 288 A C 1.134 178.651 177.584 -0.112 0.000 1.495 288 A CA 1.573 53.539 52.037 -0.118 0.000 0.769 288 A CB -2.579 16.340 19.000 -0.136 0.000 1.047 288 A HN 2.514 nan 8.150 nan 0.000 0.436 289 G N -2.152 106.592 108.800 -0.093 0.000 2.143 289 G HA2 -0.223 3.737 3.960 0.001 0.000 0.248 289 G HA3 -0.223 3.737 3.960 0.001 0.000 0.248 289 G C 0.025 174.880 174.900 -0.075 0.000 0.991 289 G CA 0.728 45.788 45.100 -0.067 0.000 0.689 289 G HN 1.216 nan 8.290 nan 0.000 0.522 290 R N 0.170 120.585 120.500 -0.142 0.000 2.750 290 R HA 0.466 4.807 4.340 0.001 0.000 0.281 290 R C -1.331 174.833 176.300 -0.226 0.000 0.972 290 R CA -0.902 55.085 56.100 -0.189 0.000 0.912 290 R CB 1.269 31.327 30.300 -0.404 0.000 1.187 290 R HN 0.131 nan 8.270 nan 0.000 0.464 291 D N 2.993 123.296 120.400 -0.162 0.000 2.428 291 D HA 0.291 4.932 4.640 0.001 0.000 0.221 291 D C 0.200 176.281 176.300 -0.366 0.000 1.123 291 D CA -0.147 53.714 54.000 -0.232 0.000 0.869 291 D CB 0.981 41.682 40.800 -0.165 0.000 1.032 291 D HN 0.304 nan 8.370 nan 0.000 0.506 292 I N 3.315 123.669 120.570 -0.359 0.000 2.371 292 I HA 0.048 4.219 4.170 0.001 0.000 0.290 292 I C 0.653 176.666 176.117 -0.175 0.000 1.028 292 I CA -0.322 60.834 61.300 -0.240 0.000 1.345 292 I CB 0.656 38.521 38.000 -0.224 0.000 1.407 292 I HN 0.165 nan 8.210 nan 0.000 0.501 293 H N 4.709 123.897 119.070 0.197 0.000 2.479 293 H HA 0.425 4.981 4.556 0.001 0.000 0.335 293 H C 0.070 175.456 175.328 0.096 0.000 1.142 293 H CA -0.938 55.183 56.048 0.122 0.000 1.234 293 H CB 1.610 31.449 29.762 0.128 0.000 1.503 293 H HN 0.689 nan 8.280 nan 0.000 0.510 294 A N 1.145 124.068 122.820 0.172 0.000 2.580 294 A HA 0.305 4.626 4.320 0.001 0.000 0.244 294 A C 1.479 179.129 177.584 0.111 0.000 1.045 294 A CA 1.111 53.197 52.037 0.083 0.000 0.761 294 A CB -0.817 18.208 19.000 0.041 0.000 0.962 294 A HN 1.072 nan 8.150 nan 0.000 0.512 295 G N 2.281 111.140 108.800 0.099 0.000 2.213 295 G HA2 -0.194 3.766 3.960 0.001 0.000 0.236 295 G HA3 -0.194 3.766 3.960 0.001 0.000 0.236 295 G C -0.008 174.978 174.900 0.144 0.000 0.991 295 G CA 0.283 45.444 45.100 0.103 0.000 0.629 295 G HN 0.854 nan 8.290 nan 0.000 0.517 296 D N 0.160 120.687 120.400 0.212 0.000 2.400 296 D HA 0.438 5.078 4.640 0.001 0.000 0.238 296 D C 0.501 176.961 176.300 0.267 0.000 1.157 296 D CA 0.331 54.498 54.000 0.277 0.000 0.889 296 D CB 1.566 42.649 40.800 0.472 0.000 1.199 296 D HN 0.249 nan 8.370 nan 0.000 0.436 297 V N 2.706 122.766 119.914 0.243 0.000 2.378 297 V HA 0.312 4.432 4.120 0.001 0.000 0.288 297 V C -0.287 175.951 176.094 0.239 0.000 1.016 297 V CA -0.760 61.662 62.300 0.204 0.000 0.840 297 V CB 1.185 33.085 31.823 0.128 0.000 0.994 297 V HN 0.258 nan 8.190 nan 0.000 0.431 298 L N 4.215 125.569 121.223 0.219 0.000 2.313 298 L HA 0.583 4.923 4.340 0.001 0.000 0.283 298 L C 0.439 177.382 176.870 0.121 0.000 1.013 298 L CA 0.085 55.039 54.840 0.190 0.000 0.816 298 L CB 1.890 44.002 42.059 0.089 0.000 1.236 298 L HN 0.548 nan 8.230 nan 0.000 0.419 299 T N 1.788 116.424 114.554 0.136 0.000 2.743 299 T HA 0.277 4.627 4.350 0.001 0.000 0.292 299 T C -0.316 174.425 174.700 0.070 0.000 0.972 299 T CA -0.322 61.840 62.100 0.102 0.000 0.967 299 T CB 0.346 69.289 68.868 0.125 0.000 0.926 299 T HN 0.511 nan 8.240 nan 0.000 0.459 300 C N 3.433 122.753 119.300 0.033 0.000 2.394 300 C HA 0.505 4.966 4.460 0.001 0.000 0.362 300 C C 1.246 176.244 174.990 0.013 0.000 1.268 300 C CA -0.721 58.303 59.018 0.010 0.000 1.828 300 C CB -0.305 27.425 27.740 -0.017 0.000 2.442 300 C HN 0.870 nan 8.230 nan 0.000 0.549 301 S N 4.692 120.410 115.700 0.030 0.000 2.411 301 S HA 0.239 4.709 4.470 0.001 0.000 0.294 301 S C 1.222 175.841 174.600 0.031 0.000 1.115 301 S CA -0.671 57.547 58.200 0.029 0.000 1.071 301 S CB 0.195 63.494 63.200 0.165 0.000 0.967 301 S HN 0.633 nan 8.310 nan 0.000 0.488 302 M N 4.795 124.396 119.600 0.001 0.000 2.254 302 M HA 0.019 4.500 4.480 0.001 0.000 0.265 302 M C 1.774 178.071 176.300 -0.006 0.000 1.066 302 M CA 1.109 56.411 55.300 0.003 0.000 1.123 302 M CB -1.229 31.369 32.600 -0.004 0.000 1.388 302 M HN 0.627 nan 8.290 nan 0.000 0.425 303 L N 0.241 121.458 121.223 -0.011 0.000 2.083 303 L HA -0.183 4.158 4.340 0.001 0.000 0.209 303 L C 2.763 179.653 176.870 0.033 0.000 1.083 303 L CA 1.221 56.057 54.840 -0.006 0.000 0.752 303 L CB -0.720 41.344 42.059 0.007 0.000 0.899 303 L HN 0.284 nan 8.230 nan 0.000 0.433 304 A N 0.036 122.912 122.820 0.093 0.000 1.877 304 A HA -0.241 4.079 4.320 0.001 0.000 0.216 304 A C 2.404 179.962 177.584 -0.043 0.000 1.186 304 A CA 2.444 54.448 52.037 -0.055 0.000 0.620 304 A CB -0.938 18.034 19.000 -0.047 0.000 0.822 304 A HN 0.536 nan 8.150 nan 0.000 0.443 305 T N -2.342 112.219 114.554 0.012 0.000 2.896 305 T HA -0.074 4.276 4.350 0.001 0.000 0.263 305 T C 1.488 176.223 174.700 0.059 0.000 1.050 305 T CA 1.356 63.495 62.100 0.065 0.000 1.140 305 T CB -0.444 68.481 68.868 0.095 0.000 0.877 305 T HN 0.371 nan 8.240 nan 0.000 0.457 306 N N 1.142 119.857 118.700 0.025 0.000 2.416 306 N HA 0.104 4.845 4.740 0.001 0.000 0.177 306 N C 0.392 175.879 175.510 -0.039 0.000 1.036 306 N CA 0.486 53.544 53.050 0.013 0.000 0.901 306 N CB 0.037 38.517 38.487 -0.012 0.000 0.976 306 N HN 0.371 nan 8.380 nan 0.000 0.444 307 R N 0.220 120.676 120.500 -0.073 0.000 2.670 307 R HA 0.731 5.071 4.340 0.001 0.000 0.289 307 R C -0.765 175.476 176.300 -0.098 0.000 0.965 307 R CA -0.726 55.308 56.100 -0.110 0.000 0.899 307 R CB 1.933 32.133 30.300 -0.167 0.000 1.173 307 R HN -0.045 nan 8.270 nan 0.000 0.456 308 A N 3.071 125.840 122.820 -0.085 0.000 2.413 308 A HA 0.744 5.064 4.320 0.001 0.000 0.307 308 A C -2.560 174.983 177.584 -0.069 0.000 1.087 308 A CA -1.865 50.123 52.037 -0.080 0.000 0.750 308 A CB 1.461 20.423 19.000 -0.063 0.000 1.296 308 A HN 0.342 nan 8.150 nan 0.000 0.423 309 P HA 0.322 nan 4.420 nan 0.000 0.265 309 P C 1.005 178.287 177.300 -0.030 0.000 1.193 309 P CA 1.910 64.978 63.100 -0.053 0.000 0.765 309 P CB 0.727 32.392 31.700 -0.058 0.000 0.823 310 G N 1.997 110.790 108.800 -0.012 0.000 2.179 310 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 310 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 310 G C -0.040 174.874 174.900 0.024 0.000 0.977 310 G CA 0.199 45.303 45.100 0.006 0.000 0.641 310 G HN 0.746 nan 8.290 nan 0.000 0.533 311 D N 0.203 120.620 120.400 0.027 0.000 2.443 311 D HA 0.457 5.098 4.640 0.001 0.000 0.239 311 D C 0.570 176.951 176.300 0.134 0.000 1.136 311 D CA 0.156 54.194 54.000 0.063 0.000 0.879 311 D CB 0.532 41.363 40.800 0.052 0.000 1.195 311 D HN 0.479 nan 8.370 nan 0.000 0.443 312 R N 0.956 121.530 120.500 0.124 0.000 2.740 312 R HA 0.324 4.665 4.340 0.001 0.000 0.282 312 R C -0.687 175.654 176.300 0.068 0.000 0.969 312 R CA -1.119 55.064 56.100 0.138 0.000 0.918 312 R CB 1.448 31.807 30.300 0.099 0.000 1.175 312 R HN 0.501 nan 8.270 nan 0.000 0.464 313 F N 2.760 122.539 119.950 -0.285 0.000 2.533 313 F HA 0.029 4.557 4.527 0.001 0.000 0.378 313 F C -0.266 175.338 175.800 -0.326 0.000 1.070 313 F CA 0.188 57.858 58.000 -0.550 0.000 1.172 313 F CB 0.236 38.588 39.000 -1.080 0.000 1.085 313 F HN 0.335 nan 8.300 nan 0.000 0.552 314 D N 6.667 126.635 120.400 -0.719 0.000 2.386 314 D HA 0.128 4.768 4.640 0.001 0.000 0.247 314 D C 0.603 176.575 176.300 -0.547 0.000 1.336 314 D CA -0.438 53.243 54.000 -0.532 0.000 0.976 314 D CB 0.418 41.079 40.800 -0.232 0.000 1.257 314 D HN 0.544 nan 8.370 nan 0.000 0.570 315 I N 1.079 121.275 120.570 -0.624 0.000 2.830 315 I HA 0.020 4.191 4.170 0.001 0.000 0.263 315 I C 1.532 177.525 176.117 -0.208 0.000 1.230 315 I CA 1.107 62.159 61.300 -0.414 0.000 1.480 315 I CB -0.341 37.457 38.000 -0.337 0.000 1.095 315 I HN 0.325 nan 8.210 nan 0.000 0.455 316 T N -1.151 113.296 114.554 -0.179 0.000 3.148 316 T HA 0.071 4.421 4.350 0.001 0.000 0.253 316 T C 1.071 175.720 174.700 -0.085 0.000 1.134 316 T CA -0.363 61.674 62.100 -0.105 0.000 1.051 316 T CB -0.410 68.408 68.868 -0.084 0.000 0.959 316 T HN 0.414 nan 8.240 nan 0.000 0.525 317 R N 1.114 121.552 120.500 -0.104 0.000 2.537 317 R HA 0.001 4.342 4.340 0.001 0.000 0.281 317 R C 1.297 177.574 176.300 -0.038 0.000 0.988 317 R CA 0.167 56.226 56.100 -0.068 0.000 1.077 317 R CB 0.433 30.693 30.300 -0.066 0.000 0.932 317 R HN 0.362 nan 8.270 nan 0.000 0.409 318 E N 3.728 123.910 120.200 -0.029 0.000 1.997 318 E HA -0.104 4.246 4.350 0.001 0.000 0.196 318 E C -0.268 176.328 176.600 -0.008 0.000 0.990 318 E CA 1.389 57.778 56.400 -0.019 0.000 0.845 318 E CB 0.091 29.779 29.700 -0.020 0.000 0.795 318 E HN 0.477 nan 8.360 nan 0.000 0.479 319 K N -0.344 120.050 120.400 -0.009 0.000 2.172 319 K HA 0.533 4.854 4.320 0.001 0.000 0.276 319 K C -1.513 175.091 176.600 0.008 0.000 1.013 319 K CA -0.242 56.043 56.287 -0.004 0.000 0.913 319 K CB 1.431 33.921 32.500 -0.015 0.000 1.055 319 K HN 0.247 nan 8.250 nan 0.000 0.461 320 A N 2.459 125.291 122.820 0.019 0.000 2.273 320 A HA 0.273 4.593 4.320 0.001 0.000 0.315 320 A C 0.256 177.826 177.584 -0.024 0.000 1.256 320 A CA -0.594 51.473 52.037 0.049 0.000 0.851 320 A CB 0.579 19.650 19.000 0.119 0.000 1.172 320 A HN 0.846 nan 8.150 nan 0.000 0.508 321 T N -0.595 113.951 114.554 -0.013 0.000 3.132 321 T HA 0.234 4.585 4.350 0.001 0.000 0.274 321 T C 0.494 175.209 174.700 0.025 0.000 1.011 321 T CA 0.161 62.246 62.100 -0.025 0.000 0.899 321 T CB -1.061 67.767 68.868 -0.067 0.000 1.089 321 T HN 0.878 nan 8.240 nan 0.000 0.543 322 H N 0.735 119.848 119.070 0.072 0.000 2.745 322 H HA 0.489 5.046 4.556 0.001 0.000 0.373 322 H C 0.420 175.808 175.328 0.101 0.000 1.226 322 H CA -0.782 55.308 56.048 0.070 0.000 1.435 322 H CB 0.414 30.191 29.762 0.025 0.000 1.461 322 H HN 0.116 nan 8.280 nan 0.000 0.616 323 M N 2.212 121.975 119.600 0.273 0.000 2.876 323 M HA 0.311 4.791 4.480 0.001 0.000 0.367 323 M C 1.277 177.706 176.300 0.215 0.000 1.242 323 M CA -0.102 55.330 55.300 0.220 0.000 0.889 323 M CB 0.771 33.437 32.600 0.109 0.000 1.353 323 M HN 0.897 nan 8.290 nan 0.000 0.511 324 A N -0.044 122.946 122.820 0.283 0.000 2.024 324 A HA -0.103 4.218 4.320 0.001 0.000 0.220 324 A C 1.250 178.711 177.584 -0.205 0.000 1.164 324 A CA 1.656 53.626 52.037 -0.112 0.000 0.643 324 A CB -0.387 18.330 19.000 -0.472 0.000 0.806 324 A HN 0.544 nan 8.150 nan 0.000 0.451 325 F N -0.889 119.137 119.950 0.126 0.000 2.664 325 F HA 0.427 4.954 4.527 0.001 0.000 0.303 325 F C 1.603 177.351 175.800 -0.086 0.000 1.092 325 F CA 0.132 58.095 58.000 -0.061 0.000 1.305 325 F CB -0.226 38.655 39.000 -0.198 0.000 1.054 325 F HN 0.457 nan 8.300 nan 0.000 0.565 326 G N 0.317 109.246 108.800 0.216 0.000 2.593 326 G HA2 -0.182 3.779 3.960 0.001 0.000 0.237 326 G HA3 -0.182 3.779 3.960 0.001 0.000 0.237 326 G C -1.106 174.036 174.900 0.402 0.000 1.312 326 G CA -0.086 45.151 45.100 0.228 0.000 0.896 326 G HN 0.602 nan 8.290 nan 0.000 0.574 327 H N -1.224 117.983 119.070 0.228 0.000 3.094 327 H HA 0.652 5.209 4.556 0.001 0.000 0.335 327 H C 0.470 175.888 175.328 0.150 0.000 1.254 327 H CA 1.765 57.923 56.048 0.183 0.000 1.240 327 H CB 1.093 30.902 29.762 0.078 0.000 1.936 327 H HN 2.695 nan 8.280 nan 0.000 0.536 328 G N 1.889 110.425 108.800 -0.440 0.000 2.568 328 G HA2 -0.254 3.706 3.960 0.001 0.000 0.222 328 G HA3 -0.254 3.706 3.960 0.001 0.000 0.222 328 G C 1.210 176.069 174.900 -0.069 0.000 1.321 328 G CA 0.165 45.146 45.100 -0.199 0.000 0.893 328 G HN 1.293 nan 8.290 nan 0.000 0.569 329 I N -2.761 117.757 120.570 -0.086 0.000 2.567 329 I HA 0.013 4.183 4.170 0.001 0.000 0.257 329 I C 1.754 177.773 176.117 -0.164 0.000 1.184 329 I CA 1.983 63.173 61.300 -0.184 0.000 1.451 329 I CB -0.293 37.450 38.000 -0.429 0.000 1.089 329 I HN 0.479 nan 8.210 nan 0.000 0.441 330 H N 0.233 119.294 119.070 -0.015 0.000 2.539 330 H HA 0.126 4.683 4.556 0.001 0.000 0.269 330 H C 0.024 175.392 175.328 0.067 0.000 0.980 330 H CA -0.148 55.918 56.048 0.030 0.000 1.152 330 H CB -0.465 29.280 29.762 -0.027 0.000 1.407 330 H HN 0.503 nan 8.280 nan 0.000 0.564 331 H N 0.899 120.014 119.070 0.075 0.000 3.167 331 H HA -0.093 4.464 4.556 0.001 0.000 0.306 331 H C 0.213 175.550 175.328 0.015 0.000 0.965 331 H CA -0.185 55.896 56.048 0.056 0.000 1.408 331 H CB 0.230 29.989 29.762 -0.006 0.000 1.406 331 H HN 0.252 nan 8.280 nan 0.000 0.576 332 C N 7.058 126.055 119.300 -0.504 0.000 2.255 332 C HA -0.091 4.369 4.460 0.001 0.000 0.401 332 C C 2.125 176.864 174.990 -0.418 0.000 1.529 332 C CA 0.389 59.187 59.018 -0.366 0.000 1.418 332 C CB -2.355 25.239 27.740 -0.243 0.000 2.522 332 C HN 0.991 nan 8.230 nan 0.000 0.616 333 I N 4.739 125.101 120.570 -0.347 0.000 2.928 333 I HA 0.087 4.257 4.170 0.001 0.000 0.266 333 I C 2.020 177.609 176.117 -0.881 0.000 1.234 333 I CA 1.533 62.530 61.300 -0.505 0.000 1.483 333 I CB -0.093 37.619 38.000 -0.480 0.000 1.097 333 I HN 0.904 nan 8.210 nan 0.000 0.455 334 G N -0.300 108.081 108.800 -0.698 0.000 2.985 334 G HA2 0.047 4.008 3.960 0.001 0.000 0.209 334 G HA3 0.047 4.008 3.960 0.001 0.000 0.209 334 G C 1.619 176.292 174.900 -0.380 0.000 1.165 334 G CA 0.499 45.291 45.100 -0.512 0.000 0.776 334 G HN 0.469 nan 8.290 nan 0.000 0.541 335 A N 2.178 124.643 122.820 -0.592 0.000 1.903 335 A HA -0.068 4.253 4.320 0.001 0.000 0.219 335 A C 0.692 178.029 177.584 -0.411 0.000 1.191 335 A CA 1.970 53.458 52.037 -0.915 0.000 0.638 335 A CB -1.209 17.071 19.000 -1.200 0.000 0.823 335 A HN 0.357 nan 8.150 nan 0.000 0.451 336 P HA -0.148 nan 4.420 nan 0.000 0.216 336 P C 1.632 178.906 177.300 -0.043 0.000 1.150 336 P CA 1.054 64.109 63.100 -0.075 0.000 0.843 336 P CB -0.082 31.618 31.700 0.000 0.000 0.787 337 L N -0.574 120.613 121.223 -0.061 0.000 2.072 337 L HA -0.003 4.338 4.340 0.001 0.000 0.205 337 L C 2.219 179.063 176.870 -0.043 0.000 1.079 337 L CA 1.889 56.684 54.840 -0.074 0.000 0.752 337 L CB -1.532 40.409 42.059 -0.196 0.000 0.906 337 L HN -0.132 nan 8.230 nan 0.000 0.436 338 A N -0.240 122.559 122.820 -0.035 0.000 1.877 338 A HA -0.218 4.102 4.320 0.001 0.000 0.216 338 A C 2.436 180.084 177.584 0.106 0.000 1.186 338 A CA 1.843 53.919 52.037 0.065 0.000 0.620 338 A CB -0.574 18.547 19.000 0.201 0.000 0.822 338 A HN 0.486 nan 8.150 nan 0.000 0.443 339 R N -1.246 119.316 120.500 0.103 0.000 2.081 339 R HA -0.113 4.227 4.340 0.001 0.000 0.235 339 R C 2.117 178.463 176.300 0.076 0.000 1.131 339 R CA 1.372 57.544 56.100 0.120 0.000 0.960 339 R CB -0.618 29.754 30.300 0.119 0.000 0.856 339 R HN 0.487 nan 8.270 nan 0.000 0.436 340 L N 1.724 122.976 121.223 0.047 0.000 2.012 340 L HA -0.222 4.119 4.340 0.001 0.000 0.210 340 L C 2.101 178.998 176.870 0.046 0.000 1.073 340 L CA 1.799 56.664 54.840 0.042 0.000 0.748 340 L CB -0.570 41.508 42.059 0.031 0.000 0.891 340 L HN 0.164 nan 8.230 nan 0.000 0.431 341 Q N -0.780 119.045 119.800 0.042 0.000 2.061 341 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 341 Q C 2.312 178.345 176.000 0.055 0.000 0.984 341 Q CA 1.986 57.816 55.803 0.044 0.000 0.846 341 Q CB -0.347 28.410 28.738 0.033 0.000 0.902 341 Q HN 0.531 nan 8.270 nan 0.000 0.421 342 L N 0.087 121.348 121.223 0.064 0.000 2.093 342 L HA -0.170 4.171 4.340 0.001 0.000 0.208 342 L C 2.491 179.401 176.870 0.066 0.000 1.085 342 L CA 1.097 55.978 54.840 0.068 0.000 0.755 342 L CB -0.287 41.819 42.059 0.079 0.000 0.904 342 L HN 0.140 nan 8.230 nan 0.000 0.435 343 R N -0.821 119.717 120.500 0.064 0.000 2.115 343 R HA -0.101 4.240 4.340 0.001 0.000 0.230 343 R C 2.117 178.449 176.300 0.053 0.000 1.111 343 R CA 1.011 57.145 56.100 0.057 0.000 0.976 343 R CB -0.189 30.143 30.300 0.054 0.000 0.870 343 R HN 0.215 nan 8.270 nan 0.000 0.445 344 V N 0.020 119.967 119.914 0.055 0.000 2.426 344 V HA -0.032 4.089 4.120 0.001 0.000 0.242 344 V C 2.259 178.391 176.094 0.064 0.000 1.036 344 V CA 1.648 63.980 62.300 0.055 0.000 1.044 344 V CB -0.346 31.508 31.823 0.052 0.000 0.688 344 V HN 0.325 nan 8.190 nan 0.000 0.462 345 A N 0.120 122.982 122.820 0.071 0.000 1.873 345 A HA -0.094 4.226 4.320 0.001 0.000 0.215 345 A C 2.200 179.841 177.584 0.094 0.000 1.186 345 A CA 1.582 53.672 52.037 0.088 0.000 0.616 345 A CB -0.555 18.499 19.000 0.091 0.000 0.823 345 A HN 0.463 nan 8.150 nan 0.000 0.442 346 L N -0.542 120.728 121.223 0.079 0.000 2.017 346 L HA -0.125 4.216 4.340 0.001 0.000 0.208 346 L C -0.465 176.447 176.870 0.070 0.000 1.073 346 L CA 1.557 56.440 54.840 0.071 0.000 0.745 346 L CB -1.614 40.483 42.059 0.063 0.000 0.894 346 L HN 0.256 nan 8.230 nan 0.000 0.432 347 P HA -0.111 nan 4.420 nan 0.000 0.219 347 P C 1.462 178.800 177.300 0.064 0.000 1.150 347 P CA 1.544 64.678 63.100 0.056 0.000 0.814 347 P CB 0.014 31.741 31.700 0.046 0.000 0.787 348 A N -0.505 122.359 122.820 0.074 0.000 1.902 348 A HA -0.142 4.178 4.320 0.001 0.000 0.217 348 A C 2.320 179.981 177.584 0.128 0.000 1.181 348 A CA 1.720 53.807 52.037 0.084 0.000 0.623 348 A CB -1.681 17.375 19.000 0.092 0.000 0.818 348 A HN 0.022 nan 8.150 nan 0.000 0.443 349 V N 0.215 120.226 119.914 0.161 0.000 2.270 349 V HA -0.233 3.888 4.120 0.001 0.000 0.245 349 V C 2.732 178.972 176.094 0.243 0.000 1.043 349 V CA 2.093 64.539 62.300 0.244 0.000 1.014 349 V CB -0.865 31.038 31.823 0.134 0.000 0.645 349 V HN 0.614 nan 8.190 nan 0.000 0.447 350 V N -0.614 119.381 119.914 0.134 0.000 2.809 350 V HA 0.068 4.189 4.120 0.001 0.000 0.256 350 V C 2.190 178.336 176.094 0.087 0.000 1.080 350 V CA 1.958 64.324 62.300 0.110 0.000 1.102 350 V CB -1.153 30.714 31.823 0.073 0.000 0.705 350 V HN 0.405 nan 8.190 nan 0.000 0.475 351 G N 0.263 109.101 108.800 0.063 0.000 2.396 351 G HA2 -0.085 3.876 3.960 0.001 0.000 0.214 351 G HA3 -0.085 3.876 3.960 0.001 0.000 0.214 351 G C 1.779 176.658 174.900 -0.035 0.000 1.166 351 G CA 0.517 45.629 45.100 0.019 0.000 0.793 351 G HN 0.478 nan 8.290 nan 0.000 0.533 352 R N -0.865 119.582 120.500 -0.088 0.000 2.115 352 R HA 0.102 4.443 4.340 0.001 0.000 0.226 352 R C -0.079 175.891 176.300 -0.550 0.000 1.100 352 R CA 0.487 56.365 56.100 -0.370 0.000 0.980 352 R CB -0.028 29.942 30.300 -0.549 0.000 0.875 352 R HN 0.369 nan 8.270 nan 0.000 0.445 353 F N 0.007 120.000 119.950 0.073 0.000 2.550 353 F HA 0.329 4.856 4.527 0.001 0.000 0.348 353 F C -1.868 173.962 175.800 0.048 0.000 1.219 353 F CA -2.508 55.538 58.000 0.076 0.000 1.203 353 F CB 1.623 40.691 39.000 0.113 0.000 1.436 353 F HN -0.199 nan 8.300 nan 0.000 0.541 354 P HA -0.100 nan 4.420 nan 0.000 0.218 354 P C 0.877 178.238 177.300 0.102 0.000 1.149 354 P CA 1.228 64.388 63.100 0.099 0.000 0.817 354 P CB 0.276 32.011 31.700 0.057 0.000 0.785 355 S N -0.696 115.076 115.700 0.120 0.000 2.618 355 S HA 0.161 4.631 4.470 0.001 0.000 0.242 355 S C 0.413 175.072 174.600 0.098 0.000 0.972 355 S CA -0.442 57.815 58.200 0.094 0.000 1.004 355 S CB -0.855 62.393 63.200 0.080 0.000 0.778 355 S HN -0.009 nan 8.310 nan 0.000 0.459 356 L N 4.071 125.365 121.223 0.119 0.000 2.513 356 L HA 0.248 4.589 4.340 0.001 0.000 0.272 356 L C 0.394 177.273 176.870 0.014 0.000 1.187 356 L CA 0.812 55.690 54.840 0.063 0.000 0.895 356 L CB 0.033 42.108 42.059 0.028 0.000 1.147 356 L HN 0.406 nan 8.230 nan 0.000 0.483 357 R N 3.521 124.019 120.500 -0.002 0.000 2.733 357 R HA 0.539 4.879 4.340 0.001 0.000 0.272 357 R C -1.505 174.785 176.300 -0.017 0.000 1.029 357 R CA -1.168 54.925 56.100 -0.012 0.000 0.888 357 R CB 0.564 30.866 30.300 0.002 0.000 1.251 357 R HN 0.410 nan 8.270 nan 0.000 0.464 358 L N 1.352 122.564 121.223 -0.018 0.000 2.490 358 L HA 0.198 4.538 4.340 0.001 0.000 0.274 358 L C 1.217 178.083 176.870 -0.006 0.000 1.201 358 L CA 0.268 55.100 54.840 -0.013 0.000 0.869 358 L CB 0.990 43.042 42.059 -0.012 0.000 1.123 358 L HN 1.003 nan 8.230 nan 0.000 0.484 359 A N 3.632 126.450 122.820 -0.004 0.000 2.195 359 A HA 0.308 4.628 4.320 0.001 0.000 0.210 359 A C 0.449 178.029 177.584 -0.007 0.000 1.165 359 A CA 0.316 52.350 52.037 -0.006 0.000 0.806 359 A CB 0.092 19.087 19.000 -0.008 0.000 0.847 359 A HN 0.511 nan 8.150 nan 0.000 0.482 360 V N -4.465 115.445 119.914 -0.007 0.000 3.074 360 V HA 0.657 4.778 4.120 0.001 0.000 0.314 360 V C -3.237 172.855 176.094 -0.004 0.000 1.117 360 V CA -2.957 59.339 62.300 -0.007 0.000 1.014 360 V CB 1.104 32.920 31.823 -0.012 0.000 1.057 360 V HN 0.001 nan 8.190 nan 0.000 0.438 361 P HA 0.138 nan 4.420 nan 0.000 0.266 361 P C 0.696 178.002 177.300 0.011 0.000 1.195 361 P CA 0.307 63.410 63.100 0.005 0.000 0.768 361 P CB 0.522 32.226 31.700 0.007 0.000 0.838 362 E N 2.308 122.521 120.200 0.021 0.000 2.160 362 E HA -0.250 4.100 4.350 0.001 0.000 0.195 362 E C 1.460 178.100 176.600 0.067 0.000 0.991 362 E CA 1.049 57.477 56.400 0.046 0.000 0.810 362 E CB 0.140 29.872 29.700 0.053 0.000 0.742 362 E HN 0.523 nan 8.360 nan 0.000 0.466 363 E N 0.108 120.340 120.200 0.053 0.000 2.427 363 E HA -0.168 4.182 4.350 0.001 0.000 0.196 363 E C 0.680 177.305 176.600 0.043 0.000 1.028 363 E CA 0.811 57.248 56.400 0.062 0.000 0.864 363 E CB 0.065 29.793 29.700 0.047 0.000 0.813 363 E HN 0.240 nan 8.360 nan 0.000 0.514 364 D N 1.074 121.483 120.400 0.015 0.000 2.317 364 D HA 0.105 4.746 4.640 0.001 0.000 0.211 364 D C 0.611 176.880 176.300 -0.051 0.000 0.966 364 D CA 0.250 54.244 54.000 -0.011 0.000 0.876 364 D CB 0.079 40.870 40.800 -0.016 0.000 0.927 364 D HN 0.197 nan 8.370 nan 0.000 0.519 365 L N 1.256 122.433 121.223 -0.076 0.000 2.416 365 L HA 0.213 4.554 4.340 0.001 0.000 0.272 365 L C 0.691 177.327 176.870 -0.389 0.000 1.161 365 L CA 0.087 54.776 54.840 -0.252 0.000 0.845 365 L CB 0.666 42.538 42.059 -0.312 0.000 1.119 365 L HN -0.277 nan 8.230 nan 0.000 0.464 366 R N 3.102 123.313 120.500 -0.481 0.000 2.393 366 R HA 0.555 4.896 4.340 0.001 0.000 0.310 366 R C -1.386 174.555 176.300 -0.599 0.000 0.968 366 R CA -0.547 55.333 56.100 -0.366 0.000 0.867 366 R CB 1.467 31.663 30.300 -0.173 0.000 1.124 366 R HN 0.274 nan 8.270 nan 0.000 0.450 367 F N 1.619 121.534 119.950 -0.057 0.000 2.482 367 F HA 0.323 4.850 4.527 0.001 0.000 0.331 367 F C 0.553 176.253 175.800 -0.166 0.000 1.115 367 F CA -0.898 56.996 58.000 -0.176 0.000 0.955 367 F CB 1.552 40.486 39.000 -0.109 0.000 1.136 367 F HN 0.188 nan 8.300 nan 0.000 0.452 368 K N 6.020 126.360 120.400 -0.100 0.000 2.349 368 K HA 0.255 4.576 4.320 0.001 0.000 0.288 368 K C -2.572 174.008 176.600 -0.034 0.000 1.058 368 K CA -1.533 54.718 56.287 -0.060 0.000 0.953 368 K CB 0.732 33.192 32.500 -0.067 0.000 0.997 368 K HN 0.250 nan 8.250 nan 0.000 0.477 369 P HA 0.014 nan 4.420 nan 0.000 0.272 369 P C 0.289 177.697 177.300 0.180 0.000 1.223 369 P CA -0.093 63.126 63.100 0.199 0.000 0.784 369 P CB 0.730 32.505 31.700 0.124 0.000 0.923 370 G N 2.119 111.094 108.800 0.292 0.000 3.155 370 G HA2 -0.047 3.913 3.960 0.001 0.000 0.213 370 G HA3 -0.047 3.913 3.960 0.001 0.000 0.213 370 G C 0.655 175.579 174.900 0.039 0.000 1.196 370 G CA 0.020 45.264 45.100 0.241 0.000 0.846 370 G HN 0.353 nan 8.290 nan 0.000 0.516 371 R N 0.852 121.287 120.500 -0.109 0.000 2.468 371 R HA 0.287 4.627 4.340 0.001 0.000 0.302 371 R C -2.488 173.737 176.300 -0.126 0.000 1.041 371 R CA -1.176 54.750 56.100 -0.289 0.000 0.899 371 R CB 2.288 32.196 30.300 -0.652 0.000 1.167 371 R HN 0.137 nan 8.270 nan 0.000 0.483 372 P HA 0.220 nan 4.420 nan 0.000 0.274 372 P C -0.488 176.805 177.300 -0.013 0.000 1.256 372 P CA -0.497 62.568 63.100 -0.058 0.000 0.795 372 P CB 0.655 32.343 31.700 -0.019 0.000 1.038 373 A N 1.899 124.727 122.820 0.014 0.000 2.466 373 A HA 0.402 4.723 4.320 0.001 0.000 0.238 373 A C -1.860 175.751 177.584 0.045 0.000 1.074 373 A CA -0.703 51.364 52.037 0.049 0.000 0.774 373 A CB -1.257 17.776 19.000 0.055 0.000 1.015 373 A HN 0.500 nan 8.150 nan 0.000 0.498 374 P HA 0.382 nan 4.420 nan 0.000 0.283 374 P C -0.620 176.749 177.300 0.115 0.000 1.278 374 P CA -0.628 62.517 63.100 0.073 0.000 0.834 374 P CB 0.666 32.385 31.700 0.032 0.000 1.150 375 F N 1.034 120.996 119.950 0.019 0.000 2.529 375 F HA 0.414 4.942 4.527 0.001 0.000 0.365 375 F C -0.287 175.542 175.800 0.049 0.000 1.102 375 F CA 0.478 58.501 58.000 0.038 0.000 1.271 375 F CB 0.132 39.143 39.000 0.018 0.000 1.120 375 F HN 0.518 nan 8.300 nan 0.000 0.579 376 A N 5.284 127.720 122.820 -0.638 0.000 2.594 376 A HA 0.633 4.954 4.320 0.001 0.000 0.291 376 A C -1.677 175.639 177.584 -0.447 0.000 1.105 376 A CA -0.663 51.133 52.037 -0.401 0.000 0.694 376 A CB 1.367 20.270 19.000 -0.161 0.000 1.291 376 A HN 0.895 nan 8.150 nan 0.000 0.410 377 V N 0.862 120.662 119.914 -0.189 0.000 2.407 377 V HA 0.296 4.416 4.120 0.001 0.000 0.278 377 V C 1.046 177.041 176.094 -0.165 0.000 1.037 377 V CA 0.278 62.450 62.300 -0.213 0.000 0.900 377 V CB 1.061 32.797 31.823 -0.145 0.000 0.983 377 V HN 1.089 nan 8.190 nan 0.000 0.459 378 E N 4.061 124.138 120.200 -0.205 0.000 2.072 378 E HA -0.048 4.302 4.350 0.001 0.000 0.191 378 E C 0.629 177.201 176.600 -0.046 0.000 0.985 378 E CA 1.073 57.416 56.400 -0.095 0.000 0.801 378 E CB 0.327 29.961 29.700 -0.110 0.000 0.750 378 E HN 0.810 nan 8.360 nan 0.000 0.452 379 E N -0.433 119.713 120.200 -0.090 0.000 2.321 379 E HA 0.283 4.633 4.350 0.001 0.000 0.278 379 E C -1.918 174.657 176.600 -0.041 0.000 0.902 379 E CA -0.576 55.806 56.400 -0.031 0.000 0.758 379 E CB 1.550 31.230 29.700 -0.034 0.000 1.213 379 E HN 0.008 nan 8.360 nan 0.000 0.426 380 L N 5.745 126.993 121.223 0.042 0.000 2.470 380 L HA 0.438 4.779 4.340 0.001 0.000 0.253 380 L C -2.737 174.192 176.870 0.098 0.000 1.163 380 L CA -1.759 53.112 54.840 0.053 0.000 0.932 380 L CB 1.376 43.494 42.059 0.098 0.000 1.213 380 L HN 0.303 nan 8.230 nan 0.000 0.485 381 P HA 0.231 nan 4.420 nan 0.000 0.270 381 P C -0.846 176.485 177.300 0.052 0.000 1.242 381 P CA 0.366 63.498 63.100 0.054 0.000 0.768 381 P CB 0.565 32.274 31.700 0.014 0.000 0.820 382 L N 2.731 124.009 121.223 0.091 0.000 2.323 382 L HA 0.570 4.910 4.340 0.001 0.000 0.265 382 L C 0.540 177.426 176.870 0.026 0.000 1.012 382 L CA -0.811 54.071 54.840 0.071 0.000 0.820 382 L CB 2.262 44.396 42.059 0.126 0.000 1.334 382 L HN 0.273 nan 8.230 nan 0.000 0.427 383 E N 0.081 120.286 120.200 0.008 0.000 2.392 383 E HA 0.455 4.806 4.350 0.001 0.000 0.269 383 E C -0.801 175.812 176.600 0.022 0.000 0.924 383 E CA 0.097 56.494 56.400 -0.004 0.000 0.784 383 E CB 1.755 31.456 29.700 0.001 0.000 1.292 383 E HN 0.629 nan 8.360 nan 0.000 0.447 384 W N 0.000 121.327 121.300 0.044 0.000 2.388 384 W HA 0.000 4.661 4.660 0.001 0.000 0.303 384 W CA 0.000 57.420 57.345 0.126 0.000 1.226 384 W CB 0.000 29.524 29.460 0.106 0.000 1.126 384 W HN 0.000 nan 8.180 nan 0.000 0.535