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 2ffy_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDAKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 4.108 4.320 -0.353 0.000 0.244 4 A C 0.000 177.440 177.584 -0.240 0.000 1.274 4 A CA 0.000 51.889 52.037 -0.247 0.000 0.836 4 A CB 0.000 18.828 19.000 -0.286 0.000 0.831 5 P HA 0.095 4.418 4.420 -0.162 0.000 0.266 5 P C 0.446 177.626 177.300 -0.200 0.000 1.195 5 P CA -0.841 62.107 63.100 -0.254 0.000 0.768 5 P CB 0.868 32.358 31.700 -0.350 0.000 0.838 6 Q N 4.075 123.802 119.800 -0.122 0.000 2.112 6 Q HA -0.433 3.871 4.340 -0.059 0.000 0.206 6 Q C 1.715 177.658 176.000 -0.095 0.000 0.987 6 Q CA 4.143 59.899 55.803 -0.079 0.000 0.858 6 Q CB -0.157 28.551 28.738 -0.051 0.000 0.905 6 Q HN 0.531 8.738 8.270 -0.106 0.000 0.420 7 Q N -3.826 115.891 119.800 -0.138 0.000 2.135 7 Q HA -0.232 4.051 4.340 -0.094 0.000 0.204 7 Q C 2.333 178.233 176.000 -0.167 0.000 0.981 7 Q CA 2.812 58.529 55.803 -0.143 0.000 0.856 7 Q CB -0.838 27.799 28.738 -0.168 0.000 0.902 7 Q HN 0.464 8.628 8.270 -0.153 0.014 0.425 8 I N 0.988 121.416 120.570 -0.238 0.000 2.277 8 I HA -0.478 3.570 4.170 -0.202 0.000 0.243 8 I C 1.619 177.688 176.117 -0.081 0.000 1.094 8 I CA 3.503 64.683 61.300 -0.201 0.000 1.393 8 I CB -0.208 37.622 38.000 -0.283 0.000 1.078 8 I HN -0.647 7.372 8.210 -0.290 0.017 0.417 9 N N -0.566 118.135 118.700 0.002 0.000 2.104 9 N HA -0.389 4.488 4.740 0.229 0.000 0.190 9 N C 1.671 177.219 175.510 0.062 0.000 1.024 9 N CA 2.939 56.052 53.050 0.105 0.000 0.853 9 N CB -0.560 37.981 38.487 0.089 0.000 1.008 9 N HN -0.474 7.880 8.380 -0.044 0.000 0.424 10 D N -1.219 119.195 120.400 0.025 0.000 2.084 10 D HA -0.235 4.463 4.640 0.097 0.000 0.194 10 D C 1.796 178.117 176.300 0.035 0.000 0.990 10 D CA 3.005 57.033 54.000 0.047 0.000 0.826 10 D CB 0.346 41.153 40.800 0.012 0.000 0.971 10 D HN -0.316 8.037 8.370 -0.008 0.012 0.453 11 I N -0.414 120.145 120.570 -0.018 0.000 2.353 11 I HA -0.362 3.802 4.170 -0.011 0.000 0.248 11 I C 1.345 177.445 176.117 -0.028 0.000 1.119 11 I CA 1.641 62.925 61.300 -0.026 0.000 1.417 11 I CB 0.012 37.984 38.000 -0.048 0.000 1.078 11 I HN -0.783 7.402 8.210 -0.042 0.000 0.421 12 V N 1.688 121.553 119.914 -0.082 0.000 2.295 12 V HA -0.674 3.384 4.120 -0.104 0.000 0.246 12 V C 2.208 178.359 176.094 0.095 0.000 1.049 12 V CA 4.459 66.687 62.300 -0.121 0.000 1.024 12 V CB -0.692 30.794 31.823 -0.562 0.000 0.648 12 V HN -0.134 7.990 8.190 -0.110 0.000 0.447 13 H N 1.755 120.851 119.070 0.044 0.000 2.387 13 H HA -0.066 4.651 4.556 0.269 0.000 0.299 13 H C 2.595 177.975 175.328 0.087 0.000 1.090 13 H CA 1.425 57.558 56.048 0.143 0.000 1.332 13 H CB -0.062 29.773 29.762 0.120 0.000 1.386 13 H HN 0.238 nan 8.280 nan 0.000 0.516 14 R N -1.545 118.955 120.500 0.000 0.000 2.189 14 R HA -0.174 4.066 4.340 -0.167 0.000 0.218 14 R C 1.319 177.585 176.300 -0.057 0.000 1.074 14 R CA 2.311 58.363 56.100 -0.080 0.000 0.991 14 R CB 0.297 30.577 30.300 -0.034 0.000 0.883 14 R HN -0.065 8.244 8.270 0.066 0.000 0.457 15 T N -0.000 114.539 114.554 -0.025 0.000 3.044 15 T HA -0.101 4.236 4.350 -0.021 0.000 0.237 15 T C 0.853 175.515 174.700 -0.062 0.000 1.001 15 T CA 3.490 65.576 62.100 -0.023 0.000 1.160 15 T CB 1.255 70.126 68.868 0.005 0.000 0.889 15 T HN -0.487 7.599 8.240 -0.002 0.153 0.442 16 I N 0.533 121.054 120.570 -0.081 0.000 2.333 16 I HA -0.222 3.804 4.170 -0.240 0.000 0.246 16 I C 1.516 177.407 176.117 -0.377 0.000 1.106 16 I CA 1.847 62.992 61.300 -0.257 0.000 1.411 16 I CB -1.208 36.567 38.000 -0.374 0.000 1.082 16 I HN 0.261 8.456 8.210 -0.025 0.000 0.420 17 T N 2.210 116.672 114.554 -0.153 0.000 2.708 17 T HA -0.198 3.961 4.350 -0.319 0.000 0.266 17 T C -0.865 173.744 174.700 -0.152 0.000 1.037 17 T CA 6.732 68.776 62.100 -0.094 0.000 1.146 17 T CB -1.752 67.283 68.868 0.279 0.000 0.865 17 T HN -0.586 7.661 8.240 0.013 0.000 0.435 18 P HA -0.067 4.296 4.420 -0.094 0.000 0.219 18 P C 0.770 177.992 177.300 -0.131 0.000 1.150 18 P CA 2.310 65.344 63.100 -0.111 0.000 0.814 18 P CB -0.344 31.303 31.700 -0.088 0.000 0.787 19 L N -0.678 120.448 121.223 -0.162 0.000 2.012 19 L HA -0.274 4.162 4.340 -0.130 -0.173 0.210 19 L C 1.751 178.466 176.870 -0.258 0.000 1.073 19 L CA 3.126 57.856 54.840 -0.183 0.000 0.748 19 L CB -0.267 41.683 42.059 -0.182 0.000 0.891 19 L HN -0.829 7.303 8.230 -0.163 0.000 0.431 20 I N -2.027 118.349 120.570 -0.323 0.000 2.226 20 I HA -0.592 3.363 4.170 -0.359 0.000 0.245 20 I C 2.110 178.109 176.117 -0.197 0.000 1.100 20 I CA 4.396 65.505 61.300 -0.319 0.000 1.374 20 I CB -0.448 37.313 38.000 -0.398 0.000 1.057 20 I HN -0.177 7.819 8.210 -0.357 0.000 0.413 21 E N -1.579 118.534 120.200 -0.145 0.000 2.072 21 E HA -0.282 4.024 4.350 -0.075 0.000 0.191 21 E C 2.911 179.461 176.600 -0.082 0.000 0.985 21 E CA 2.457 58.804 56.400 -0.088 0.000 0.801 21 E CB -0.717 28.946 29.700 -0.061 0.000 0.750 21 E HN -0.666 7.522 8.360 -0.155 0.079 0.452 22 Q N -0.556 119.189 119.800 -0.092 0.000 2.084 22 Q HA -0.245 4.066 4.340 -0.050 0.000 0.202 22 Q C 2.201 178.160 176.000 -0.068 0.000 0.978 22 Q CA 2.653 58.415 55.803 -0.067 0.000 0.844 22 Q CB 0.168 28.871 28.738 -0.059 0.000 0.898 22 Q HN -0.155 8.050 8.270 -0.108 0.000 0.426 23 Q N -4.745 114.985 119.800 -0.117 0.000 2.360 23 Q HA 0.077 4.386 4.340 -0.052 0.000 0.202 23 Q C -0.861 175.081 176.000 -0.097 0.000 0.915 23 Q CA -0.585 55.150 55.803 -0.113 0.000 0.943 23 Q CB 0.607 29.192 28.738 -0.255 0.000 1.064 23 Q HN -0.494 7.681 8.270 -0.158 0.000 0.511 24 K N -4.304 116.037 120.400 -0.097 0.000 3.148 24 K HA -0.414 3.912 4.320 -0.073 -0.050 0.267 24 K C -0.644 175.910 176.600 -0.077 0.000 0.996 24 K CA 0.770 57.014 56.287 -0.072 0.000 0.737 24 K CB -3.171 29.305 32.500 -0.041 0.000 1.308 24 K HN -0.502 7.515 8.250 -0.104 0.171 0.470 25 I N -0.529 119.966 120.570 -0.124 0.000 2.471 25 I HA -0.068 4.069 4.170 -0.055 0.000 0.286 25 I C -1.123 174.969 176.117 -0.040 0.000 1.079 25 I CA -1.874 59.366 61.300 -0.099 0.000 1.398 25 I CB 0.331 38.206 38.000 -0.209 0.000 1.403 25 I HN -0.692 7.420 8.210 -0.163 0.000 0.530 26 P HA -0.022 4.380 4.420 -0.030 0.000 0.217 26 P C -1.113 176.242 177.300 0.092 0.000 1.151 26 P CA 0.830 63.928 63.100 -0.004 0.000 0.828 26 P CB 0.815 32.434 31.700 -0.136 0.000 0.788 27 G N -4.756 104.154 108.800 0.184 0.000 2.719 27 G HA2 0.656 4.949 3.960 0.265 0.000 0.298 27 G HA3 0.656 4.981 3.960 0.356 -0.151 0.298 27 G C -3.366 171.771 174.900 0.395 0.000 1.411 27 G CA -0.285 44.997 45.100 0.304 0.000 0.991 27 G HN -0.482 8.067 8.290 0.183 -0.150 0.509 28 M N 2.439 122.307 119.600 0.446 0.000 2.413 28 M HA 0.913 5.774 4.480 0.314 -0.192 0.287 28 M C -3.131 173.490 176.300 0.536 0.000 1.186 28 M CA -0.654 54.874 55.300 0.379 0.000 0.927 28 M CB 5.029 37.698 32.600 0.115 0.000 1.715 28 M HN 0.371 8.947 8.290 0.476 0.000 0.478 29 A N 3.320 126.322 122.820 0.304 0.000 2.371 29 A HA 1.037 5.856 4.320 0.540 -0.176 0.311 29 A C -2.691 175.108 177.584 0.357 0.000 1.068 29 A CA -2.196 50.069 52.037 0.379 0.000 0.744 29 A CB 3.581 22.754 19.000 0.288 0.000 1.239 29 A HN 0.757 8.926 8.150 0.031 0.000 0.435 30 V N 1.910 122.152 119.914 0.546 0.000 2.735 30 V HA 0.913 5.468 4.120 0.365 -0.216 0.310 30 V C -2.055 174.374 176.094 0.559 0.000 1.061 30 V CA -2.455 60.145 62.300 0.500 0.000 0.913 30 V CB 4.677 36.822 31.823 0.538 0.000 1.005 30 V HN 0.436 9.012 8.190 0.642 0.000 0.428 31 A N 5.129 128.196 122.820 0.412 0.000 2.355 31 A HA 1.039 5.777 4.320 0.333 -0.218 0.317 31 A C -1.781 175.964 177.584 0.269 0.000 1.094 31 A CA -2.438 49.788 52.037 0.317 0.000 0.764 31 A CB 3.571 22.704 19.000 0.222 0.000 1.230 31 A HN 0.546 8.900 8.150 0.340 0.000 0.448 32 V N 3.346 123.442 119.914 0.304 0.000 2.417 32 V HA 0.626 5.017 4.120 0.184 -0.161 0.291 32 V C -1.450 174.766 176.094 0.203 0.000 1.024 32 V CA -1.963 60.489 62.300 0.253 0.000 0.861 32 V CB 2.548 34.550 31.823 0.297 0.000 0.985 32 V HN 0.286 8.707 8.190 0.386 0.000 0.436 33 I N 7.688 128.334 120.570 0.127 0.000 2.321 33 I HA 0.432 4.851 4.170 0.059 -0.214 0.291 33 I C -1.368 174.853 176.117 0.174 0.000 0.998 33 I CA -3.315 58.033 61.300 0.081 0.000 1.227 33 I CB -0.638 37.343 38.000 -0.031 0.000 1.368 33 I HN 0.588 8.748 8.210 0.102 0.111 0.466 34 Y N 8.195 128.561 120.300 0.110 0.000 2.354 34 Y HA 0.313 4.883 4.550 0.034 0.000 0.330 34 Y C -1.026 174.925 175.900 0.085 0.000 1.011 34 Y CA -1.219 56.943 58.100 0.103 0.000 1.099 34 Y CB 3.721 42.274 38.460 0.155 0.000 1.179 34 Y HN 0.444 8.907 8.280 0.305 0.000 0.442 35 Q N 7.073 126.597 119.800 -0.461 0.000 2.434 35 Q HA -0.525 3.751 4.340 -0.336 -0.138 0.299 35 Q C -0.347 175.565 176.000 -0.146 0.000 1.286 35 Q CA 1.081 56.681 55.803 -0.337 0.000 0.872 35 Q CB -2.404 26.114 28.738 -0.367 0.000 1.193 35 Q HN 1.005 8.918 8.270 -0.595 0.000 0.466 36 G N -2.920 105.805 108.800 -0.124 0.000 2.184 36 G HA2 -0.528 3.360 3.960 -0.121 0.000 0.264 36 G HA3 -0.528 3.367 3.960 -0.109 0.000 0.264 36 G C -1.583 173.261 174.900 -0.093 0.000 0.975 36 G CA 0.230 45.266 45.100 -0.107 0.000 0.642 36 G HN 0.197 8.391 8.290 -0.135 0.015 0.536 37 K N 1.369 121.729 120.400 -0.068 0.000 2.164 37 K HA 0.424 4.640 4.320 -0.172 0.000 0.258 37 K C -2.232 174.159 176.600 -0.347 0.000 0.951 37 K CA -3.225 52.958 56.287 -0.174 0.000 0.844 37 K CB 2.488 34.902 32.500 -0.144 0.000 1.099 37 K HN -0.272 7.796 8.250 -0.007 0.178 0.435 38 P HA 0.593 4.930 4.420 -0.403 -0.159 0.290 38 P C -1.433 175.206 177.300 -1.101 0.000 1.275 38 P CA -1.205 61.523 63.100 -0.620 0.000 0.841 38 P CB 1.190 32.599 31.700 -0.485 0.000 1.042 39 Y N 0.152 120.153 120.300 -0.499 0.000 2.442 39 Y HA 0.195 4.452 4.550 -0.488 0.000 0.344 39 Y C -1.661 173.823 175.900 -0.693 0.000 0.976 39 Y CA -1.630 56.173 58.100 -0.495 0.000 1.040 39 Y CB 4.247 42.615 38.460 -0.153 0.000 1.228 39 Y HN 0.318 8.369 8.280 -0.382 0.000 0.451 40 Y N -0.571 119.513 120.300 -0.360 0.000 2.468 40 Y HA 0.878 5.588 4.550 -0.030 -0.179 0.342 40 Y C -0.099 175.346 175.900 -0.759 0.000 1.021 40 Y CA -2.409 55.494 58.100 -0.327 0.000 1.079 40 Y CB 3.644 42.022 38.460 -0.136 0.000 1.226 40 Y HN 0.123 8.167 8.280 -0.394 0.000 0.460 41 F N -0.500 119.552 119.950 0.171 0.000 2.581 41 F HA 0.408 4.804 4.527 -0.219 0.000 0.311 41 F C -1.585 174.114 175.800 -0.168 0.000 1.113 41 F CA -0.597 57.326 58.000 -0.128 0.000 0.935 41 F CB 4.469 43.393 39.000 -0.126 0.000 1.232 41 F HN 0.338 8.866 8.300 0.380 0.000 0.445 42 T N -1.959 112.405 114.554 -0.316 0.000 2.903 42 T HA 0.813 5.496 4.350 0.283 -0.163 0.299 42 T C -1.554 172.993 174.700 -0.256 0.000 1.093 42 T CA -1.610 60.459 62.100 -0.052 0.000 1.002 42 T CB 2.965 71.872 68.868 0.065 0.000 1.127 42 T HN 0.103 8.061 8.240 -0.469 0.000 0.488 43 W N 0.934 122.310 121.300 0.127 0.000 3.127 43 W HA 0.121 4.800 4.660 0.031 0.000 0.330 43 W C -0.595 175.934 176.519 0.017 0.000 1.187 43 W CA -0.308 57.073 57.345 0.059 0.000 1.198 43 W CB 3.993 33.490 29.460 0.062 0.000 1.408 43 W HN 0.665 9.206 8.180 0.602 0.000 0.529 44 G N 1.832 110.692 108.800 0.099 0.000 2.569 44 G HA2 -0.359 3.364 3.960 -0.394 0.000 0.259 44 G HA3 -0.359 3.778 3.960 -0.005 -0.180 0.259 44 G C -2.248 172.553 174.900 -0.164 0.000 1.263 44 G CA 0.038 45.055 45.100 -0.138 0.000 0.928 44 G HN 0.280 8.602 8.290 0.054 0.000 0.572 45 Y N -0.437 119.950 120.300 0.146 0.000 2.409 45 Y HA 0.205 4.956 4.550 0.125 -0.126 0.343 45 Y C 0.223 176.221 175.900 0.164 0.000 0.973 45 Y CA -1.789 56.386 58.100 0.125 0.000 1.064 45 Y CB 2.777 41.277 38.460 0.066 0.000 1.207 45 Y HN -0.259 7.974 8.280 0.092 0.103 0.452 46 A N 2.207 125.231 122.820 0.340 0.000 1.929 46 A HA -0.129 4.311 4.320 0.200 0.000 0.216 46 A C -1.527 176.262 177.584 0.341 0.000 1.176 46 A CA 1.757 53.938 52.037 0.241 0.000 0.628 46 A CB 0.898 19.976 19.000 0.129 0.000 0.816 46 A HN 0.679 9.037 8.150 0.346 0.000 0.444 47 D N -4.061 116.533 120.400 0.324 0.000 2.476 47 D HA 0.441 5.393 4.640 0.521 0.000 0.251 47 D C 0.228 176.593 176.300 0.108 0.000 1.291 47 D CA -1.589 52.617 54.000 0.342 0.000 0.939 47 D CB 1.249 42.241 40.800 0.319 0.000 1.221 47 D HN -0.825 7.718 8.370 0.288 0.000 0.567 48 I N 5.708 126.323 120.570 0.075 0.000 2.179 48 I HA -0.508 3.502 4.170 -0.267 0.000 0.242 48 I C 1.806 177.781 176.117 -0.236 0.000 1.088 48 I CA 3.816 65.012 61.300 -0.174 0.000 1.357 48 I CB -0.021 37.822 38.000 -0.262 0.000 1.051 48 I HN 0.379 8.739 8.210 0.250 0.000 0.409 49 A N -0.528 122.219 122.820 -0.121 0.000 1.902 49 A HA -0.207 4.032 4.320 -0.135 0.000 0.217 49 A C 0.889 178.391 177.584 -0.137 0.000 1.181 49 A CA 2.709 54.669 52.037 -0.128 0.000 0.623 49 A CB -0.673 18.262 19.000 -0.109 0.000 0.818 49 A HN -0.130 8.061 8.150 -0.052 -0.072 0.443 50 K N -5.110 115.224 120.400 -0.109 0.000 2.487 50 K HA -0.038 4.236 4.320 -0.077 0.000 0.192 50 K C -0.749 175.752 176.600 -0.166 0.000 1.027 50 K CA -0.311 55.923 56.287 -0.088 0.000 1.054 50 K CB 0.319 32.815 32.500 -0.006 0.000 0.824 50 K HN -0.674 7.824 8.250 -0.073 -0.292 0.510 51 K N -3.553 116.620 120.400 -0.379 0.000 3.077 51 K HA -0.393 2.975 4.320 -1.587 0.000 0.264 51 K C -0.858 175.596 176.600 -0.244 0.000 1.008 51 K CA 0.869 56.727 56.287 -0.713 0.000 0.740 51 K CB -2.598 29.654 32.500 -0.413 0.000 1.273 51 K HN -0.622 7.195 8.250 -0.398 0.194 0.477 52 Q N -0.447 119.316 119.800 -0.061 0.000 2.322 52 Q HA 0.359 4.769 4.340 0.116 0.000 0.256 52 Q C -2.350 173.839 176.000 0.314 0.000 0.960 52 Q CA -3.012 52.868 55.803 0.130 0.000 0.934 52 Q CB 0.877 29.684 28.738 0.114 0.000 1.200 52 Q HN -0.389 7.804 8.270 -0.117 0.006 0.435 53 P HA 0.076 4.881 4.420 0.386 -0.154 0.272 53 P C -0.918 176.509 177.300 0.212 0.000 1.223 53 P CA -0.910 62.365 63.100 0.292 0.000 0.784 53 P CB 0.874 32.679 31.700 0.176 0.000 0.923 54 V N 2.423 122.467 119.914 0.216 0.000 2.599 54 V HA -0.276 3.967 4.120 0.205 0.000 0.300 54 V C 0.554 176.751 176.094 0.171 0.000 1.034 54 V CA 1.093 63.531 62.300 0.230 0.000 1.115 54 V CB -0.452 31.586 31.823 0.359 0.000 0.934 54 V HN -0.150 8.170 8.190 0.216 0.000 0.485 55 T N 2.249 116.890 114.554 0.145 0.000 2.831 55 T HA 0.492 4.881 4.350 0.065 0.000 0.287 55 T C 1.204 175.951 174.700 0.078 0.000 1.070 55 T CA -2.459 59.688 62.100 0.079 0.000 1.010 55 T CB 2.364 71.250 68.868 0.030 0.000 1.264 55 T HN 0.238 8.570 8.240 0.154 0.000 0.532 56 Q N -0.609 119.179 119.800 -0.021 0.000 2.291 56 Q HA -0.318 3.979 4.340 -0.073 0.000 0.206 56 Q C 1.357 177.310 176.000 -0.078 0.000 0.976 56 Q CA 3.753 59.494 55.803 -0.102 0.000 0.875 56 Q CB -0.596 27.981 28.738 -0.270 0.000 0.927 56 Q HN 0.604 8.846 8.270 -0.046 0.000 0.450 57 Q N -4.042 115.715 119.800 -0.072 0.000 2.424 57 Q HA -0.020 4.197 4.340 -0.205 0.000 0.204 57 Q C 0.202 176.181 176.000 -0.035 0.000 0.933 57 Q CA -0.061 55.671 55.803 -0.119 0.000 0.929 57 Q CB 0.851 29.506 28.738 -0.140 0.000 1.037 57 Q HN -0.697 7.474 8.270 -0.048 0.070 0.511 58 T N 3.495 118.078 114.554 0.049 0.000 2.870 58 T HA -0.197 4.330 4.350 -0.003 -0.180 0.300 58 T C -0.731 174.012 174.700 0.071 0.000 0.989 58 T CA 2.207 64.326 62.100 0.032 0.000 1.139 58 T CB 0.566 69.443 68.868 0.016 0.000 0.920 58 T HN -0.703 7.359 8.240 0.081 0.226 0.537 59 L N 6.560 127.786 121.223 0.005 0.000 2.305 59 L HA 0.031 4.526 4.340 0.123 -0.082 0.281 59 L C -1.073 175.794 176.870 -0.006 0.000 1.085 59 L CA 0.228 55.087 54.840 0.030 0.000 0.813 59 L CB 0.546 42.543 42.059 -0.103 0.000 1.157 59 L HN 0.412 8.636 8.230 -0.010 0.000 0.436 60 F N 1.596 121.588 119.950 0.069 0.000 2.522 60 F HA 0.328 4.934 4.527 0.131 0.000 0.324 60 F C -0.386 175.215 175.800 -0.332 0.000 1.077 60 F CA -1.430 56.581 58.000 0.019 0.000 0.944 60 F CB 3.750 42.889 39.000 0.231 0.000 1.175 60 F HN 0.600 9.115 8.300 0.358 0.000 0.468 61 E N 1.814 121.537 120.200 -0.795 0.000 2.324 61 E HA -0.032 4.128 4.350 -0.316 0.000 0.271 61 E C -0.436 176.087 176.600 -0.128 0.000 1.028 61 E CA 0.717 56.806 56.400 -0.518 0.000 0.890 61 E CB -0.125 29.140 29.700 -0.724 0.000 1.004 61 E HN 0.288 7.512 8.360 -1.893 0.000 0.431 62 L N 2.679 123.899 121.223 -0.005 0.000 2.418 62 L HA -0.022 4.405 4.340 0.146 0.000 0.218 62 L C 1.140 178.102 176.870 0.153 0.000 1.125 62 L CA 0.722 55.627 54.840 0.107 0.000 0.835 62 L CB 0.520 42.642 42.059 0.105 0.000 0.953 62 L HN 0.109 8.312 8.230 -0.047 0.000 0.454 63 G N -2.978 105.912 108.800 0.151 0.000 2.596 63 G HA2 -0.556 3.657 3.960 0.242 0.000 0.295 63 G HA3 -0.556 3.628 3.960 0.189 -0.110 0.295 63 G C 0.458 175.499 174.900 0.235 0.000 1.240 63 G CA 1.105 46.329 45.100 0.207 0.000 0.985 63 G HN -0.330 7.983 8.290 0.110 0.043 0.555 64 S N 2.855 118.695 115.700 0.233 0.000 2.547 64 S HA 0.002 4.821 4.470 0.279 -0.181 0.235 64 S C 2.655 177.383 174.600 0.214 0.000 0.980 64 S CA 1.829 60.183 58.200 0.257 0.000 0.941 64 S CB -0.566 62.817 63.200 0.304 0.000 0.763 64 S HN 0.272 8.785 8.310 0.207 -0.078 0.532 65 V N 3.549 123.578 119.914 0.192 0.000 2.720 65 V HA -0.412 3.772 4.120 0.107 0.000 0.256 65 V C 1.625 177.839 176.094 0.200 0.000 1.082 65 V CA 2.307 64.706 62.300 0.165 0.000 1.101 65 V CB -1.611 30.332 31.823 0.201 0.000 0.693 65 V HN -0.391 7.877 8.190 0.196 0.040 0.479 66 S N 0.691 116.530 115.700 0.232 0.000 2.402 66 S HA -0.385 4.320 4.470 0.391 0.000 0.233 66 S C 1.083 175.838 174.600 0.258 0.000 1.030 66 S CA 4.040 62.402 58.200 0.271 0.000 1.003 66 S CB -0.590 62.708 63.200 0.164 0.000 0.813 66 S HN 0.008 8.414 8.310 0.210 0.030 0.477 67 K N 0.230 120.740 120.400 0.182 0.000 2.209 67 K HA -0.241 4.182 4.320 0.172 0.000 0.204 67 K C 2.177 178.810 176.600 0.055 0.000 1.048 67 K CA 3.009 59.386 56.287 0.149 0.000 0.940 67 K CB -0.251 32.359 32.500 0.184 0.000 0.729 67 K HN -0.416 7.799 8.250 0.185 0.146 0.451 68 T N -1.796 112.696 114.554 -0.103 0.000 2.821 68 T HA -0.202 3.851 4.350 -0.495 0.000 0.267 68 T C 1.505 176.217 174.700 0.020 0.000 1.046 68 T CA 3.620 65.487 62.100 -0.388 0.000 1.139 68 T CB -0.015 68.206 68.868 -1.078 0.000 0.871 68 T HN -0.292 7.878 8.240 -0.072 0.027 0.454 69 F N 1.819 121.825 119.950 0.092 0.000 2.146 69 F HA -0.235 4.361 4.527 0.114 0.000 0.298 69 F C 1.962 177.819 175.800 0.096 0.000 1.096 69 F CA 3.998 62.014 58.000 0.027 0.000 1.275 69 F CB -0.403 38.493 39.000 -0.174 0.000 1.008 69 F HN -0.850 7.564 8.300 0.190 0.000 0.480 70 T N 2.244 116.988 114.554 0.317 0.000 2.746 70 T HA -0.461 4.096 4.350 0.346 0.000 0.267 70 T C 2.071 176.949 174.700 0.298 0.000 1.039 70 T CA 5.382 67.676 62.100 0.323 0.000 1.142 70 T CB -0.329 68.730 68.868 0.319 0.000 0.866 70 T HN -0.237 8.196 8.240 0.321 0.000 0.444 71 G N 0.832 109.778 108.800 0.243 0.000 2.418 71 G HA2 -0.254 3.880 3.960 0.291 0.000 0.217 71 G HA3 -0.254 3.909 3.960 0.151 -0.112 0.217 71 G C 0.823 175.874 174.900 0.252 0.000 1.158 71 G CA 1.935 47.174 45.100 0.232 0.000 0.771 71 G HN -0.179 8.225 8.290 0.189 0.000 0.545 72 V N 4.093 124.164 119.914 0.261 0.000 2.358 72 V HA -0.406 3.860 4.120 0.243 0.000 0.246 72 V C 1.823 178.029 176.094 0.188 0.000 1.047 72 V CA 3.485 65.946 62.300 0.268 0.000 1.035 72 V CB 0.039 32.108 31.823 0.410 0.000 0.658 72 V HN -0.422 7.928 8.190 0.267 0.000 0.452 73 L N 0.162 121.471 121.223 0.143 0.000 2.042 73 L HA -0.330 4.002 4.340 -0.012 0.000 0.210 73 L C 1.389 178.265 176.870 0.010 0.000 1.076 73 L CA 2.950 57.796 54.840 0.011 0.000 0.749 73 L CB -0.639 41.347 42.059 -0.121 0.000 0.893 73 L HN 0.063 8.399 8.230 0.177 0.000 0.432 74 G N -2.683 106.174 108.800 0.096 0.000 2.418 74 G HA2 -0.385 3.521 3.960 -0.089 0.000 0.217 74 G HA3 -0.385 3.764 3.960 0.316 0.000 0.217 74 G C 1.115 176.109 174.900 0.156 0.000 1.158 74 G CA 2.184 47.349 45.100 0.109 0.000 0.771 74 G HN 0.102 8.495 8.290 0.172 0.000 0.545 75 G N 1.163 110.072 108.800 0.181 0.000 2.469 75 G HA2 -0.455 3.592 3.960 0.146 0.000 0.219 75 G HA3 -0.455 3.750 3.960 0.149 -0.156 0.219 75 G C 0.350 175.301 174.900 0.085 0.000 1.150 75 G CA 1.869 47.053 45.100 0.140 0.000 0.763 75 G HN 0.007 8.424 8.290 0.212 0.000 0.561 76 D N 2.549 122.987 120.400 0.063 0.000 2.144 76 D HA -0.233 4.598 4.640 0.032 -0.171 0.199 76 D C 1.896 178.196 176.300 -0.000 0.000 0.984 76 D CA 3.185 57.201 54.000 0.026 0.000 0.834 76 D CB 0.193 40.999 40.800 0.011 0.000 0.955 76 D HN -0.064 8.352 8.370 0.076 0.000 0.465 77 A N -0.681 122.128 122.820 -0.019 0.000 1.930 77 A HA -0.238 4.053 4.320 -0.048 0.000 0.217 77 A C 1.875 179.450 177.584 -0.014 0.000 1.175 77 A CA 2.921 54.931 52.037 -0.044 0.000 0.627 77 A CB -0.368 18.569 19.000 -0.105 0.000 0.815 77 A HN -0.493 7.563 8.150 -0.016 0.085 0.443 78 I N -0.820 119.761 120.570 0.018 0.000 2.179 78 I HA -0.388 4.017 4.170 0.034 -0.214 0.242 78 I C 2.916 179.054 176.117 0.034 0.000 1.088 78 I CA 3.701 65.025 61.300 0.039 0.000 1.357 78 I CB -0.106 37.937 38.000 0.072 0.000 1.051 78 I HN -0.281 7.948 8.210 0.032 0.000 0.409 79 A N -0.444 122.396 122.820 0.032 0.000 1.972 79 A HA -0.190 4.146 4.320 0.028 0.000 0.219 79 A C 1.314 178.907 177.584 0.014 0.000 1.169 79 A CA 2.536 54.588 52.037 0.025 0.000 0.635 79 A CB -0.297 18.718 19.000 0.025 0.000 0.810 79 A HN -0.127 8.045 8.150 0.037 0.000 0.446 80 R N -3.365 117.139 120.500 0.006 0.000 2.316 80 R HA -0.062 4.278 4.340 -0.001 0.000 0.202 80 R C 0.201 176.505 176.300 0.007 0.000 1.029 80 R CA 0.109 56.209 56.100 -0.000 0.000 1.018 80 R CB 0.050 30.341 30.300 -0.014 0.000 0.888 80 R HN -0.118 8.140 8.270 0.004 0.014 0.471 81 G N -1.848 106.962 108.800 0.017 0.000 2.143 81 G HA2 -0.371 3.610 3.960 0.035 0.000 0.248 81 G HA3 -0.371 3.603 3.960 0.025 0.000 0.248 81 G C 0.319 175.241 174.900 0.036 0.000 0.991 81 G CA 0.617 45.734 45.100 0.028 0.000 0.689 81 G HN -0.263 7.848 8.290 0.018 0.190 0.522 82 E N -0.825 119.390 120.200 0.024 0.000 2.170 82 E HA -0.060 4.318 4.350 0.047 0.000 0.191 82 E C 0.333 176.975 176.600 0.071 0.000 0.981 82 E CA 0.960 57.379 56.400 0.033 0.000 0.830 82 E CB 0.952 30.645 29.700 -0.011 0.000 0.775 82 E HN -0.192 8.130 8.360 0.011 0.044 0.470 83 I N -8.891 111.696 120.570 0.028 0.000 2.969 83 I HA 0.450 4.724 4.170 0.174 0.000 0.307 83 I C -1.937 174.225 176.117 0.076 0.000 1.149 83 I CA -2.187 59.118 61.300 0.010 0.000 1.008 83 I CB 4.201 42.021 38.000 -0.299 0.000 1.232 83 I HN -0.869 7.347 8.210 0.011 0.000 0.435 84 K N 1.682 122.173 120.400 0.152 0.000 2.324 84 K HA 0.337 4.715 4.320 0.097 0.000 0.253 84 K C 0.809 177.484 176.600 0.125 0.000 0.932 84 K CA -1.540 54.825 56.287 0.130 0.000 0.799 84 K CB 2.300 34.883 32.500 0.140 0.000 1.154 84 K HN -0.059 8.351 8.250 0.267 0.000 0.425 85 L N 2.156 123.432 121.223 0.088 0.000 2.265 85 L HA -0.327 4.059 4.340 0.077 0.000 0.215 85 L C 0.731 177.630 176.870 0.049 0.000 1.117 85 L CA 2.779 57.651 54.840 0.054 0.000 0.782 85 L CB -0.587 41.461 42.059 -0.018 0.000 0.914 85 L HN 0.431 8.710 8.230 0.081 0.000 0.441 86 S N -6.389 109.353 115.700 0.070 0.000 2.561 86 S HA -0.073 4.415 4.470 0.031 0.000 0.225 86 S C 0.121 174.787 174.600 0.110 0.000 0.977 86 S CA 0.128 58.367 58.200 0.065 0.000 0.926 86 S CB -0.827 62.410 63.200 0.061 0.000 0.769 86 S HN -0.023 8.258 8.310 0.079 0.077 0.533 87 D N 4.687 125.193 120.400 0.177 0.000 2.341 87 D HA 0.402 5.134 4.640 0.153 0.000 0.245 87 D C -2.599 173.847 176.300 0.244 0.000 1.106 87 D CA -1.339 52.794 54.000 0.222 0.000 0.905 87 D CB -0.040 40.986 40.800 0.376 0.000 1.202 87 D HN -0.577 7.629 8.370 0.192 0.278 0.426 88 P HA 0.028 4.709 4.420 0.237 -0.119 0.268 88 P C 1.083 178.543 177.300 0.266 0.000 1.205 88 P CA 0.548 63.773 63.100 0.209 0.000 0.771 88 P CB 0.775 32.559 31.700 0.140 0.000 0.858 89 T N 5.437 120.179 114.554 0.312 0.000 2.685 89 T HA -0.447 4.121 4.350 0.363 0.000 0.268 89 T C 1.893 176.731 174.700 0.230 0.000 1.034 89 T CA 5.481 67.767 62.100 0.311 0.000 1.149 89 T CB -0.239 68.817 68.868 0.313 0.000 0.860 89 T HN 0.466 8.905 8.240 0.332 0.000 0.449 90 T N 0.590 115.227 114.554 0.138 0.000 3.007 90 T HA -0.313 4.210 4.350 0.020 -0.160 0.270 90 T C 0.708 175.412 174.700 0.006 0.000 1.107 90 T CA 3.236 65.366 62.100 0.050 0.000 1.118 90 T CB -0.390 68.490 68.868 0.020 0.000 0.889 90 T HN 0.130 8.449 8.240 0.169 0.023 0.506 91 K N 1.358 121.708 120.400 -0.083 0.000 2.147 91 K HA -0.282 3.908 4.320 -0.217 0.000 0.205 91 K C 1.177 177.529 176.600 -0.413 0.000 1.049 91 K CA 2.583 58.671 56.287 -0.331 0.000 0.936 91 K CB 0.127 32.283 32.500 -0.574 0.000 0.722 91 K HN -0.554 7.544 8.250 -0.022 0.139 0.446 92 Y N -6.912 113.428 120.300 0.067 0.000 2.462 92 Y HA -0.043 4.521 4.550 0.024 0.000 0.261 92 Y C -0.882 175.077 175.900 0.099 0.000 1.146 92 Y CA 0.315 58.441 58.100 0.043 0.000 1.283 92 Y CB 1.349 39.809 38.460 0.001 0.000 1.090 92 Y HN -0.716 7.556 8.280 0.033 0.028 0.526 93 W N 0.120 121.416 121.300 -0.007 0.000 2.237 93 W HA 0.559 5.187 4.660 -0.054 0.000 0.289 93 W C -2.146 174.320 176.519 -0.088 0.000 0.988 93 W CA -4.194 53.109 57.345 -0.071 0.000 1.671 93 W CB 0.514 29.886 29.460 -0.146 0.000 1.746 93 W HN -0.753 7.407 8.180 0.247 0.168 0.380 94 P HA 0.033 4.583 4.420 -0.004 -0.133 0.222 94 P C -0.827 176.435 177.300 -0.064 0.000 1.147 94 P CA 1.461 64.577 63.100 0.026 0.000 0.790 94 P CB 0.276 31.995 31.700 0.030 0.000 0.780 95 E N -4.390 115.754 120.200 -0.093 0.000 2.347 95 E HA -0.147 4.126 4.350 -0.127 0.000 0.196 95 E C 0.186 176.506 176.600 -0.466 0.000 1.008 95 E CA 0.570 56.841 56.400 -0.215 0.000 0.852 95 E CB -0.790 28.852 29.700 -0.096 0.000 0.783 95 E HN 0.021 8.369 8.360 0.053 0.044 0.505 96 L N -0.190 120.608 121.223 -0.708 0.000 2.384 96 L HA 0.080 4.046 4.340 -0.825 -0.121 0.258 96 L C -0.148 176.493 176.870 -0.382 0.000 1.266 96 L CA -0.274 54.090 54.840 -0.793 0.000 1.162 96 L CB -0.793 40.566 42.059 -1.168 0.000 1.375 96 L HN -0.677 6.992 8.230 -0.667 0.161 0.420 97 T N -0.506 113.912 114.554 -0.226 0.000 3.044 97 T HA -0.058 4.256 4.350 -0.060 0.000 0.250 97 T C 0.519 175.225 174.700 0.011 0.000 1.081 97 T CA -0.559 61.493 62.100 -0.080 0.000 1.040 97 T CB 0.775 69.602 68.868 -0.068 0.000 0.962 97 T HN -0.497 7.655 8.240 -0.253 -0.064 0.506 98 A N 2.772 125.624 122.820 0.053 0.000 2.483 98 A HA -0.045 4.320 4.320 0.075 0.000 0.238 98 A C 0.550 178.253 177.584 0.198 0.000 1.070 98 A CA 0.090 52.210 52.037 0.138 0.000 0.770 98 A CB 0.973 20.084 19.000 0.185 0.000 1.008 98 A HN -0.374 8.083 8.150 -0.006 -0.311 0.497 99 K N 3.804 124.267 120.400 0.106 0.000 2.209 99 K HA -0.325 4.045 4.320 0.083 0.000 0.204 99 K C 1.660 178.295 176.600 0.058 0.000 1.048 99 K CA 2.325 58.655 56.287 0.072 0.000 0.940 99 K CB -0.452 32.061 32.500 0.022 0.000 0.729 99 K HN 0.387 8.680 8.250 0.072 0.000 0.451 100 Q N -1.277 118.527 119.800 0.008 0.000 2.437 100 Q HA -0.196 4.062 4.340 -0.136 0.000 0.210 100 Q C 0.304 176.194 176.000 -0.183 0.000 0.972 100 Q CA 1.592 57.304 55.803 -0.152 0.000 0.903 100 Q CB -1.796 26.745 28.738 -0.328 0.000 0.967 100 Q HN 0.290 8.547 8.270 0.034 0.034 0.486 101 W N -2.503 118.849 121.300 0.087 0.000 2.905 101 W HA -0.061 4.711 4.660 0.187 0.000 0.251 101 W C -0.809 175.773 176.519 0.105 0.000 1.305 101 W CA 0.787 58.208 57.345 0.126 0.000 1.465 101 W CB 0.177 29.691 29.460 0.089 0.000 1.122 101 W HN -0.643 7.659 8.180 0.296 0.055 0.659 102 N N -0.284 118.547 118.700 0.217 0.000 2.468 102 N HA -0.149 4.700 4.740 0.183 0.000 0.265 102 N C 0.781 176.378 175.510 0.145 0.000 1.199 102 N CA 1.446 54.593 53.050 0.162 0.000 0.928 102 N CB -0.498 38.052 38.487 0.104 0.000 1.059 102 N HN -0.716 7.713 8.380 0.175 0.056 0.467 103 G N 0.728 109.634 108.800 0.176 0.000 2.213 103 G HA2 -0.330 3.744 3.960 0.190 0.000 0.236 103 G HA3 -0.330 3.715 3.960 0.142 0.000 0.236 103 G C -0.609 174.455 174.900 0.274 0.000 0.991 103 G CA -0.212 45.001 45.100 0.187 0.000 0.629 103 G HN 0.191 8.592 8.290 0.184 0.000 0.517 104 I N 3.786 124.543 120.570 0.311 0.000 2.312 104 I HA 0.101 4.606 4.170 0.559 0.000 0.291 104 I C -1.018 175.397 176.117 0.496 0.000 1.031 104 I CA -0.521 61.047 61.300 0.447 0.000 1.293 104 I CB -0.028 38.173 38.000 0.334 0.000 1.403 104 I HN -0.489 7.830 8.210 0.293 0.067 0.484 105 T N 3.322 118.190 114.554 0.523 0.000 2.936 105 T HA 0.655 5.294 4.350 0.270 -0.127 0.282 105 T C 1.212 176.034 174.700 0.203 0.000 1.003 105 T CA -2.731 59.511 62.100 0.236 0.000 1.005 105 T CB 3.063 71.941 68.868 0.016 0.000 1.097 105 T HN -0.344 8.456 8.240 0.935 0.000 0.532 106 L N -0.568 120.767 121.223 0.187 0.000 2.127 106 L HA -0.289 4.209 4.340 0.265 0.000 0.211 106 L C 2.145 179.022 176.870 0.012 0.000 1.089 106 L CA 3.196 58.154 54.840 0.196 0.000 0.757 106 L CB -0.599 41.596 42.059 0.226 0.000 0.899 106 L HN 0.198 8.551 8.230 0.206 0.000 0.434 107 L N 0.187 121.353 121.223 -0.095 0.000 2.013 107 L HA -0.469 3.678 4.340 -0.321 0.000 0.212 107 L C 2.072 178.881 176.870 -0.102 0.000 1.073 107 L CA 3.075 57.791 54.840 -0.207 0.000 0.753 107 L CB -1.202 40.742 42.059 -0.192 0.000 0.890 107 L HN -0.323 7.857 8.230 -0.065 0.011 0.432 108 H N -0.920 118.212 119.070 0.104 0.000 2.319 108 H HA -0.135 4.486 4.556 0.108 0.000 0.299 108 H C 3.299 178.626 175.328 -0.001 0.000 1.092 108 H CA 1.497 57.600 56.048 0.091 0.000 1.302 108 H CB -0.424 29.418 29.762 0.132 0.000 1.373 108 H HN 0.047 nan 8.280 nan 0.000 0.497 109 L N 0.245 121.554 121.223 0.143 0.000 2.012 109 L HA -0.262 4.144 4.340 0.109 0.000 0.210 109 L C 2.707 179.492 176.870 -0.142 0.000 1.073 109 L CA 2.345 57.232 54.840 0.078 0.000 0.748 109 L CB -0.184 41.987 42.059 0.188 0.000 0.891 109 L HN -0.234 8.111 8.230 0.190 0.000 0.431 110 A N -2.558 120.005 122.820 -0.429 0.000 2.019 110 A HA -0.279 3.569 4.320 -0.786 0.000 0.219 110 A C 0.598 177.757 177.584 -0.708 0.000 1.164 110 A CA 3.021 54.553 52.037 -0.841 0.000 0.644 110 A CB -0.304 17.806 19.000 -1.482 0.000 0.805 110 A HN 0.012 7.927 8.150 -0.392 0.000 0.449 111 T N -7.614 106.635 114.554 -0.510 0.000 3.132 111 T HA 0.135 4.098 4.350 -0.644 0.000 0.274 111 T C -0.361 174.122 174.700 -0.362 0.000 1.011 111 T CA -1.467 60.369 62.100 -0.440 0.000 0.899 111 T CB 1.227 70.130 68.868 0.059 0.000 1.089 111 T HN -0.764 7.223 8.240 -0.336 0.051 0.543 112 Y N -5.343 114.943 120.300 -0.024 0.000 4.272 112 Y HA -0.385 4.157 4.550 -0.013 0.000 0.232 112 Y C -0.759 175.103 175.900 -0.063 0.000 1.149 112 Y CA 0.728 58.813 58.100 -0.026 0.000 1.961 112 Y CB -3.554 34.906 38.460 0.000 0.000 1.611 112 Y HN -0.508 7.556 8.280 -0.360 0.000 0.682 113 T N -5.709 108.839 114.554 -0.010 0.000 3.228 113 T HA 0.612 5.099 4.350 -0.159 -0.232 0.278 113 T C 0.351 175.012 174.700 -0.066 0.000 1.014 113 T CA -2.667 59.343 62.100 -0.151 0.000 0.904 113 T CB 0.762 69.304 68.868 -0.543 0.000 1.110 113 T HN -0.177 8.043 8.240 0.005 0.023 0.541 114 A N 1.804 124.652 122.820 0.047 0.000 2.121 114 A HA 0.012 4.284 4.320 -0.080 0.000 0.218 114 A C -0.044 177.604 177.584 0.107 0.000 1.154 114 A CA 1.406 53.459 52.037 0.026 0.000 0.679 114 A CB -0.142 18.880 19.000 0.037 0.000 0.795 114 A HN -0.098 8.103 8.150 0.085 0.000 0.458 115 G N -5.032 103.906 108.800 0.229 0.000 2.247 115 G HA2 -0.158 4.088 3.960 0.477 0.000 0.111 115 G HA3 -0.158 4.124 3.960 0.285 -0.151 0.111 115 G C -0.892 174.314 174.900 0.510 0.000 1.045 115 G CA -0.513 44.821 45.100 0.391 0.000 0.715 115 G HN -0.147 8.222 8.290 0.208 0.045 0.485 116 G N -2.720 106.407 108.800 0.544 0.000 2.167 116 G HA2 -0.394 3.893 3.960 0.545 0.000 0.194 116 G HA3 -0.394 3.688 3.960 0.204 0.000 0.194 116 G C -0.387 174.783 174.900 0.450 0.000 1.027 116 G CA -0.529 44.842 45.100 0.452 0.000 0.717 116 G HN 0.155 8.726 8.290 0.469 0.000 0.501 117 L N 0.113 121.464 121.223 0.213 0.000 2.514 117 L HA -0.072 4.045 4.340 -0.373 0.000 0.280 117 L C -1.308 175.633 176.870 0.118 0.000 1.223 117 L CA -1.359 53.413 54.840 -0.114 0.000 0.864 117 L CB -0.021 41.885 42.059 -0.255 0.000 1.118 117 L HN -0.259 8.079 8.230 0.181 0.000 0.494 118 P HA 0.100 4.627 4.420 0.180 0.000 0.274 118 P C 0.001 177.370 177.300 0.115 0.000 1.231 118 P CA -1.265 61.938 63.100 0.172 0.000 0.790 118 P CB 0.945 32.773 31.700 0.213 0.000 0.951 119 L N -0.965 120.317 121.223 0.099 0.000 2.013 119 L HA -0.285 4.081 4.340 0.043 0.000 0.212 119 L C -0.910 175.989 176.870 0.048 0.000 1.073 119 L CA 2.569 57.450 54.840 0.068 0.000 0.753 119 L CB 0.467 42.579 42.059 0.089 0.000 0.890 119 L HN 0.170 8.468 8.230 0.113 0.000 0.432 120 Q N -3.287 116.538 119.800 0.042 0.000 2.342 120 Q HA 0.003 4.361 4.340 0.029 0.000 0.267 120 Q C -1.673 174.299 176.000 -0.048 0.000 1.038 120 Q CA -1.394 54.416 55.803 0.012 0.000 0.832 120 Q CB 1.256 29.993 28.738 -0.002 0.000 1.323 120 Q HN -0.330 7.970 8.270 0.050 0.000 0.448 121 V N 3.530 123.384 119.914 -0.100 0.000 2.811 121 V HA 0.005 3.795 4.120 -0.549 0.000 0.302 121 V C -1.386 174.537 176.094 -0.285 0.000 1.063 121 V CA -1.848 60.247 62.300 -0.342 0.000 1.088 121 V CB -0.137 31.505 31.823 -0.302 0.000 0.982 121 V HN 0.229 8.400 8.190 -0.031 0.000 0.485 122 P HA 0.059 4.408 4.420 -0.118 0.000 0.275 122 P C -0.149 177.071 177.300 -0.133 0.000 1.228 122 P CA -0.280 62.710 63.100 -0.183 0.000 0.786 122 P CB 0.793 32.404 31.700 -0.149 0.000 0.927 123 D N 2.011 122.372 120.400 -0.064 0.000 2.190 123 D HA -0.379 4.246 4.640 -0.026 0.000 0.200 123 D C 0.615 176.896 176.300 -0.032 0.000 0.992 123 D CA 3.203 57.183 54.000 -0.033 0.000 0.854 123 D CB -0.284 40.511 40.800 -0.009 0.000 0.936 123 D HN 0.369 8.708 8.370 -0.051 0.000 0.462 124 E N -3.454 116.725 120.200 -0.036 0.000 2.347 124 E HA -0.154 4.190 4.350 -0.009 0.000 0.196 124 E C 0.261 176.847 176.600 -0.024 0.000 1.008 124 E CA 0.493 56.881 56.400 -0.019 0.000 0.852 124 E CB 0.089 29.786 29.700 -0.005 0.000 0.783 124 E HN 0.028 8.283 8.360 -0.042 0.080 0.505 125 V N 0.288 120.164 119.914 -0.063 0.000 2.521 125 V HA -0.332 3.776 4.120 -0.021 0.000 0.286 125 V C -0.937 175.136 176.094 -0.036 0.000 1.034 125 V CA 0.995 63.260 62.300 -0.059 0.000 1.045 125 V CB -0.973 30.751 31.823 -0.165 0.000 0.974 125 V HN -0.483 7.469 8.190 -0.095 0.181 0.480 126 K N 4.807 125.204 120.400 -0.004 0.000 2.606 126 K HA 0.163 4.478 4.320 -0.008 0.000 0.199 126 K C 0.101 176.707 176.600 0.011 0.000 1.403 126 K CA 0.329 56.617 56.287 0.001 0.000 1.011 126 K CB 2.336 34.840 32.500 0.006 0.000 1.623 126 K HN 0.087 8.623 8.250 0.010 -0.280 0.512 127 S N 0.120 115.836 115.700 0.028 0.000 2.645 127 S HA 0.234 4.717 4.470 0.021 0.000 0.266 127 S C 1.366 176.002 174.600 0.059 0.000 1.258 127 S CA -0.796 57.425 58.200 0.035 0.000 0.990 127 S CB 1.728 64.951 63.200 0.039 0.000 0.967 127 S HN -0.538 8.068 8.310 0.030 -0.277 0.556 128 S N 0.773 116.506 115.700 0.055 0.000 2.382 128 S HA -0.241 4.281 4.470 0.085 0.000 0.228 128 S C 2.335 177.032 174.600 0.161 0.000 1.027 128 S CA 3.178 61.431 58.200 0.089 0.000 0.991 128 S CB -0.809 62.421 63.200 0.051 0.000 0.823 128 S HN 0.372 8.705 8.310 0.037 0.000 0.469 129 S N 3.203 118.976 115.700 0.122 0.000 2.368 129 S HA -0.321 4.241 4.470 0.154 0.000 0.224 129 S C 1.987 176.673 174.600 0.142 0.000 1.029 129 S CA 3.453 61.731 58.200 0.129 0.000 0.988 129 S CB -0.713 62.539 63.200 0.087 0.000 0.838 129 S HN 0.088 8.446 8.310 0.092 0.008 0.462 130 D N 2.361 122.834 120.400 0.121 0.000 2.117 130 D HA -0.227 4.482 4.640 0.115 0.000 0.197 130 D C 2.188 178.602 176.300 0.190 0.000 0.987 130 D CA 3.276 57.350 54.000 0.123 0.000 0.829 130 D CB -0.509 40.338 40.800 0.077 0.000 0.961 130 D HN -0.306 8.125 8.370 0.101 0.000 0.460 131 L N -0.821 120.541 121.223 0.232 0.000 2.056 131 L HA -0.317 4.223 4.340 0.333 0.000 0.207 131 L C 2.042 179.253 176.870 0.569 0.000 1.078 131 L CA 2.927 57.999 54.840 0.387 0.000 0.749 131 L CB -0.036 42.261 42.059 0.397 0.000 0.901 131 L HN -0.168 8.178 8.230 0.192 0.000 0.433 132 L N -1.041 120.481 121.223 0.497 0.000 2.012 132 L HA -0.442 4.021 4.340 0.205 0.000 0.210 132 L C 1.654 178.606 176.870 0.137 0.000 1.073 132 L CA 3.526 58.538 54.840 0.287 0.000 0.748 132 L CB -0.448 41.733 42.059 0.203 0.000 0.891 132 L HN -0.201 8.292 8.230 0.439 0.000 0.431 133 R N -2.025 118.570 120.500 0.158 0.000 2.081 133 R HA -0.415 3.965 4.340 0.067 0.000 0.235 133 R C 2.479 178.864 176.300 0.143 0.000 1.131 133 R CA 3.446 59.615 56.100 0.116 0.000 0.960 133 R CB -0.344 30.021 30.300 0.109 0.000 0.856 133 R HN -0.442 7.936 8.270 0.180 0.000 0.436 134 F N 1.638 121.622 119.950 0.056 0.000 2.069 134 F HA -0.427 4.113 4.527 0.022 0.000 0.298 134 F C 1.531 177.362 175.800 0.051 0.000 1.113 134 F CA 3.419 61.414 58.000 -0.009 0.000 1.214 134 F CB -0.048 38.860 39.000 -0.154 0.000 0.978 134 F HN -0.406 8.087 8.300 0.322 0.000 0.474 135 Y N -3.489 116.774 120.300 -0.062 0.000 2.263 135 Y HA -0.417 4.046 4.550 -0.146 0.000 0.292 135 Y C 2.801 178.802 175.900 0.169 0.000 1.130 135 Y CA 3.697 61.775 58.100 -0.036 0.000 1.179 135 Y CB -0.367 38.068 38.460 -0.042 0.000 0.998 135 Y HN -0.374 8.021 8.280 0.192 0.000 0.532 136 Q N -3.057 116.819 119.800 0.126 0.000 2.170 136 Q HA -0.290 4.150 4.340 0.167 0.000 0.203 136 Q C 1.141 177.238 176.000 0.160 0.000 0.976 136 Q CA 2.875 58.749 55.803 0.119 0.000 0.858 136 Q CB -0.289 28.439 28.738 -0.016 0.000 0.907 136 Q HN -0.131 8.170 8.270 0.052 0.000 0.433 137 N N -4.025 114.733 118.700 0.098 0.000 2.373 137 N HA 0.019 4.782 4.740 0.038 0.000 0.181 137 N C -0.324 175.204 175.510 0.030 0.000 1.082 137 N CA 0.411 53.490 53.050 0.048 0.000 0.885 137 N CB 0.953 39.462 38.487 0.036 0.000 0.977 137 N HN -0.514 7.879 8.380 0.070 0.029 0.462 138 W N 2.558 123.763 121.300 -0.159 0.000 2.251 138 W HA -0.189 4.329 4.660 -0.236 0.000 0.327 138 W C -1.827 174.595 176.519 -0.161 0.000 1.361 138 W CA 1.192 58.406 57.345 -0.219 0.000 1.234 138 W CB 0.556 29.832 29.460 -0.307 0.000 1.212 138 W HN -0.804 7.342 8.180 0.198 0.153 0.557 139 Q N 7.215 126.413 119.800 -1.004 0.000 2.331 139 Q HA 0.290 4.019 4.340 -1.018 0.000 0.267 139 Q C -1.963 173.144 176.000 -1.488 0.000 1.006 139 Q CA -3.300 51.871 55.803 -1.054 0.000 0.818 139 Q CB 1.544 29.959 28.738 -0.538 0.000 1.276 139 Q HN -0.148 7.632 8.270 -0.816 0.000 0.450 140 P HA -0.020 3.794 4.420 -1.119 -0.065 0.272 140 P C -1.232 175.671 177.300 -0.661 0.000 1.223 140 P CA -0.410 62.037 63.100 -1.089 0.000 0.784 140 P CB 0.867 32.102 31.700 -0.774 0.000 0.923 141 A N 0.750 123.187 122.820 -0.638 0.000 2.021 141 A HA 0.000 3.840 4.320 -0.800 0.000 0.216 141 A C -0.754 176.143 177.584 -1.146 0.000 1.163 141 A CA 1.166 52.581 52.037 -1.037 0.000 0.676 141 A CB 0.973 18.916 19.000 -1.761 0.000 0.818 141 A HN 0.345 8.203 8.150 -0.488 0.000 0.453 142 W N -5.010 116.242 121.300 -0.079 0.000 3.062 142 W HA 0.210 4.826 4.660 -0.075 0.000 0.336 142 W C -1.466 174.996 176.519 -0.095 0.000 1.224 142 W CA -1.687 55.615 57.345 -0.073 0.000 1.159 142 W CB 1.926 31.356 29.460 -0.049 0.000 1.454 142 W HN -0.701 7.305 8.180 -0.290 0.000 0.569 143 A N 1.239 124.145 122.820 0.144 0.000 2.406 143 A HA 0.071 4.383 4.320 -0.013 0.000 0.243 143 A C -2.249 175.340 177.584 0.008 0.000 1.082 143 A CA -0.952 51.107 52.037 0.037 0.000 0.786 143 A CB -0.616 18.404 19.000 0.033 0.000 1.029 143 A HN 0.341 8.602 8.150 0.185 0.000 0.495 144 P HA -0.313 4.157 4.420 -0.314 -0.239 0.269 144 P C 0.496 177.651 177.300 -0.241 0.000 1.209 144 P CA 0.492 63.411 63.100 -0.302 0.000 0.776 144 P CB 0.150 31.600 31.700 -0.416 0.000 0.876 145 G N 3.164 111.764 108.800 -0.333 0.000 2.160 145 G HA2 -0.401 3.459 3.960 -0.167 0.000 0.251 145 G HA3 -0.401 3.729 3.960 0.283 0.000 0.251 145 G C -0.439 174.405 174.900 -0.094 0.000 1.008 145 G CA 1.063 46.135 45.100 -0.047 0.000 0.724 145 G HN 0.711 8.722 8.290 -0.466 0.000 0.514 146 T N -8.091 106.364 114.554 -0.165 0.000 2.989 146 T HA 0.094 4.404 4.350 -0.066 0.000 0.250 146 T C -1.045 173.505 174.700 -0.250 0.000 0.981 146 T CA -0.376 61.648 62.100 -0.127 0.000 0.980 146 T CB 2.424 71.263 68.868 -0.048 0.000 1.133 146 T HN -0.700 7.431 8.240 -0.182 0.000 0.489 147 Q N -0.643 118.963 119.800 -0.323 0.000 2.359 147 Q HA 0.505 4.874 4.340 -0.419 -0.280 0.274 147 Q C -2.238 173.565 176.000 -0.329 0.000 1.074 147 Q CA -1.407 54.126 55.803 -0.449 0.000 0.810 147 Q CB 4.061 32.241 28.738 -0.930 0.000 1.342 147 Q HN -0.358 7.757 8.270 -0.258 0.000 0.427 148 R N 3.848 124.184 120.500 -0.274 0.000 2.229 148 R HA 0.382 4.848 4.340 -0.099 -0.185 0.328 148 R C -2.232 174.041 176.300 -0.044 0.000 1.009 148 R CA -0.943 55.084 56.100 -0.121 0.000 0.864 148 R CB 1.801 32.065 30.300 -0.060 0.000 1.085 148 R HN 0.606 8.707 8.270 -0.281 0.000 0.453 149 L N 7.476 128.743 121.223 0.074 0.000 2.415 149 L HA 0.337 4.722 4.340 0.075 0.000 0.268 149 L C -2.447 174.467 176.870 0.073 0.000 0.984 149 L CA -0.880 54.028 54.840 0.114 0.000 0.853 149 L CB 2.628 44.842 42.059 0.258 0.000 1.215 149 L HN -0.016 8.288 8.230 0.122 0.000 0.419 150 Y N 7.549 127.724 120.300 -0.210 0.000 2.810 150 Y HA -0.294 3.484 4.550 -1.287 0.000 0.332 150 Y C -1.345 174.372 175.900 -0.305 0.000 1.243 150 Y CA 1.280 59.019 58.100 -0.602 0.000 1.537 150 Y CB 0.911 39.084 38.460 -0.479 0.000 1.265 150 Y HN -0.081 8.246 8.280 0.080 0.000 0.572 151 A N 6.264 128.614 122.820 -0.783 0.000 2.512 151 A HA 0.104 4.312 4.320 -0.188 0.000 0.294 151 A C -1.512 175.958 177.584 -0.189 0.000 1.054 151 A CA -0.348 51.533 52.037 -0.259 0.000 0.756 151 A CB 2.634 21.643 19.000 0.015 0.000 1.293 151 A HN 0.170 7.501 8.150 -1.365 0.000 0.395 152 N N 5.399 124.038 118.700 -0.103 0.000 2.166 152 N HA -0.306 4.443 4.740 0.014 0.000 0.186 152 N C 2.282 177.847 175.510 0.092 0.000 1.019 152 N CA 2.696 55.763 53.050 0.028 0.000 0.856 152 N CB -0.029 38.534 38.487 0.126 0.000 0.993 152 N HN 0.382 8.709 8.380 -0.088 0.000 0.426 153 S N -2.598 113.173 115.700 0.119 0.000 2.474 153 S HA -0.169 4.448 4.470 0.245 0.000 0.235 153 S C 0.666 175.430 174.600 0.272 0.000 0.997 153 S CA 3.038 61.377 58.200 0.231 0.000 0.949 153 S CB -0.343 63.008 63.200 0.251 0.000 0.766 153 S HN -0.673 7.673 8.310 0.090 0.018 0.517 154 S N 2.254 118.065 115.700 0.186 0.000 2.324 154 S HA -0.050 4.520 4.470 0.167 0.000 0.210 154 S C 1.237 175.919 174.600 0.137 0.000 1.027 154 S CA 2.288 60.589 58.200 0.169 0.000 0.945 154 S CB 0.608 63.926 63.200 0.196 0.000 0.908 154 S HN -0.784 7.464 8.310 0.158 0.157 0.496 155 I N 1.672 122.319 120.570 0.128 0.000 2.493 155 I HA -0.156 4.155 4.170 0.085 -0.090 0.254 155 I C 1.272 177.459 176.117 0.116 0.000 1.160 155 I CA 2.416 63.775 61.300 0.098 0.000 1.445 155 I CB -0.166 37.872 38.000 0.063 0.000 1.086 155 I HN -0.783 7.541 8.210 0.190 0.000 0.433 156 G N -0.124 108.714 108.800 0.063 0.000 2.418 156 G HA2 -0.349 3.539 3.960 -0.119 0.000 0.217 156 G HA3 -0.349 3.676 3.960 -0.037 -0.087 0.217 156 G C 0.922 175.773 174.900 -0.081 0.000 1.158 156 G CA 2.571 47.645 45.100 -0.045 0.000 0.771 156 G HN -0.215 8.110 8.290 0.088 0.017 0.545 157 L N 1.573 122.797 121.223 0.001 0.000 2.056 157 L HA -0.155 4.082 4.340 -0.172 0.000 0.207 157 L C 1.010 177.832 176.870 -0.079 0.000 1.078 157 L CA 1.661 56.443 54.840 -0.096 0.000 0.749 157 L CB -0.249 41.705 42.059 -0.175 0.000 0.901 157 L HN -0.866 7.409 8.230 0.075 0.000 0.433 158 F N -0.141 119.744 119.950 -0.107 0.000 2.065 158 F HA -0.467 3.999 4.527 -0.102 0.000 0.298 158 F C 1.594 177.330 175.800 -0.106 0.000 1.112 158 F CA 3.778 61.717 58.000 -0.101 0.000 1.212 158 F CB -0.344 38.605 39.000 -0.086 0.000 0.975 158 F HN -0.226 8.187 8.300 0.188 0.000 0.476 159 G N -2.940 105.732 108.800 -0.213 0.000 2.418 159 G HA2 -0.470 3.319 3.960 -0.285 0.000 0.217 159 G HA3 -0.470 3.398 3.960 -0.153 0.000 0.217 159 G C 0.460 175.219 174.900 -0.235 0.000 1.158 159 G CA 1.728 46.689 45.100 -0.231 0.000 0.771 159 G HN -0.135 8.146 8.290 -0.015 0.000 0.545 160 A N 1.710 124.333 122.820 -0.329 0.000 1.902 160 A HA -0.188 3.994 4.320 -0.230 0.000 0.217 160 A C 1.202 178.617 177.584 -0.282 0.000 1.181 160 A CA 2.351 54.209 52.037 -0.297 0.000 0.623 160 A CB -0.427 18.357 19.000 -0.360 0.000 0.818 160 A HN -0.642 7.307 8.150 -0.334 0.000 0.443 161 L N -3.640 117.386 121.223 -0.328 0.000 2.156 161 L HA -0.251 3.931 4.340 -0.263 0.000 0.208 161 L C 2.639 179.291 176.870 -0.365 0.000 1.095 161 L CA 2.316 56.977 54.840 -0.298 0.000 0.770 161 L CB -0.140 41.793 42.059 -0.210 0.000 0.914 161 L HN -0.358 7.674 8.230 -0.330 0.000 0.439 162 A N -1.065 121.446 122.820 -0.516 0.000 2.019 162 A HA -0.213 3.733 4.320 -0.623 0.000 0.219 162 A C 1.084 178.471 177.584 -0.328 0.000 1.164 162 A CA 2.757 54.456 52.037 -0.563 0.000 0.644 162 A CB -0.353 18.160 19.000 -0.810 0.000 0.805 162 A HN -0.098 7.710 8.150 -0.571 0.000 0.449 163 V N -8.893 110.887 119.914 -0.223 0.000 3.649 163 V HA 0.050 4.071 4.120 -0.165 0.000 0.275 163 V C 0.157 176.180 176.094 -0.118 0.000 1.281 163 V CA 0.348 62.556 62.300 -0.153 0.000 1.143 163 V CB -0.687 31.070 31.823 -0.110 0.000 0.892 163 V HN -0.709 7.320 8.190 -0.214 0.033 0.441 164 K N 1.467 121.798 120.400 -0.115 0.000 2.057 164 K HA -0.022 4.254 4.320 -0.074 0.000 0.206 164 K C 0.207 176.795 176.600 -0.020 0.000 1.050 164 K CA 4.789 61.038 56.287 -0.063 0.000 0.935 164 K CB -2.401 30.068 32.500 -0.052 0.000 0.715 164 K HN -0.582 7.412 8.250 -0.151 0.166 0.439 165 P HA -0.145 4.301 4.420 0.044 0.000 0.218 165 P C 0.233 177.527 177.300 -0.010 0.000 1.148 165 P CA 2.258 65.374 63.100 0.027 0.000 0.822 165 P CB -0.414 31.322 31.700 0.060 0.000 0.784 166 S N -6.362 109.314 115.700 -0.040 0.000 2.423 166 S HA -0.210 4.235 4.470 -0.042 0.000 0.231 166 S C 1.502 176.074 174.600 -0.048 0.000 1.014 166 S CA 1.094 59.264 58.200 -0.051 0.000 0.965 166 S CB -0.055 63.097 63.200 -0.080 0.000 0.785 166 S HN -0.622 7.608 8.310 -0.055 0.047 0.495 167 G N 3.234 112.006 108.800 -0.047 0.000 2.184 167 G HA2 -0.322 3.613 3.960 -0.040 0.000 0.264 167 G HA3 -0.322 3.616 3.960 -0.037 0.000 0.264 167 G C -0.148 174.720 174.900 -0.054 0.000 0.975 167 G CA 0.601 45.675 45.100 -0.044 0.000 0.642 167 G HN -0.055 7.942 8.290 -0.047 0.265 0.536 168 L N 0.760 121.941 121.223 -0.070 0.000 2.418 168 L HA 0.104 4.403 4.340 -0.069 0.000 0.265 168 L C -0.052 176.771 176.870 -0.078 0.000 1.143 168 L CA -0.610 54.181 54.840 -0.081 0.000 0.809 168 L CB 0.897 42.890 42.059 -0.110 0.000 1.124 168 L HN -0.590 7.512 8.230 -0.076 0.082 0.456 169 S N -0.573 115.086 115.700 -0.068 0.000 2.576 169 S HA 0.014 4.464 4.470 -0.033 0.000 0.272 169 S C 0.928 175.494 174.600 -0.057 0.000 1.352 169 S CA -0.262 57.912 58.200 -0.044 0.000 1.021 169 S CB 1.337 64.519 63.200 -0.030 0.000 0.887 169 S HN -0.115 8.155 8.310 -0.066 0.000 0.542 170 F N 2.684 122.544 119.950 -0.150 0.000 2.095 170 F HA -0.448 3.966 4.527 -0.189 0.000 0.298 170 F C 1.510 177.198 175.800 -0.187 0.000 1.104 170 F CA 4.327 62.222 58.000 -0.176 0.000 1.232 170 F CB 0.243 39.138 39.000 -0.175 0.000 0.987 170 F HN 0.491 8.868 8.300 0.128 0.000 0.475 171 E N -1.321 118.843 120.200 -0.061 0.000 2.051 171 E HA -0.451 3.767 4.350 -0.220 0.000 0.192 171 E C 2.189 178.635 176.600 -0.256 0.000 0.991 171 E CA 3.777 60.087 56.400 -0.150 0.000 0.799 171 E CB -0.601 29.097 29.700 -0.003 0.000 0.748 171 E HN 0.169 8.571 8.360 0.071 0.000 0.449 172 Q N 0.278 119.970 119.800 -0.181 0.000 2.119 172 Q HA -0.268 3.973 4.340 -0.165 0.000 0.201 172 Q C 2.382 178.225 176.000 -0.263 0.000 0.972 172 Q CA 3.128 58.822 55.803 -0.182 0.000 0.847 172 Q CB -0.110 28.558 28.738 -0.116 0.000 0.903 172 Q HN -0.303 7.889 8.270 -0.130 0.000 0.433 173 A N 0.868 123.502 122.820 -0.310 0.000 1.883 173 A HA -0.298 3.860 4.320 -0.270 0.000 0.217 173 A C 1.851 179.145 177.584 -0.482 0.000 1.186 173 A CA 2.929 54.754 52.037 -0.353 0.000 0.624 173 A CB -0.499 18.284 19.000 -0.361 0.000 0.822 173 A HN 0.118 8.095 8.150 -0.288 0.000 0.444 174 M N -0.265 118.910 119.600 -0.708 0.000 2.117 174 M HA -0.428 3.570 4.480 -0.803 0.000 0.262 174 M C 1.696 177.401 176.300 -0.992 0.000 1.065 174 M CA 2.950 57.691 55.300 -0.932 0.000 1.114 174 M CB -0.368 31.522 32.600 -1.184 0.000 1.361 174 M HN -0.171 7.668 8.290 -0.752 0.000 0.408 175 Q N -1.067 118.283 119.800 -0.750 0.000 2.020 175 Q HA -0.399 3.620 4.340 -0.535 0.000 0.202 175 Q C 2.333 178.149 176.000 -0.307 0.000 0.982 175 Q CA 3.891 59.398 55.803 -0.494 0.000 0.838 175 Q CB 0.208 28.773 28.738 -0.289 0.000 0.899 175 Q HN 0.118 8.013 8.270 -0.625 0.000 0.423 176 T N -4.529 109.867 114.554 -0.265 0.000 2.985 176 T HA -0.138 4.127 4.350 -0.141 0.000 0.266 176 T C 1.972 176.580 174.700 -0.153 0.000 1.076 176 T CA 2.693 64.689 62.100 -0.172 0.000 1.135 176 T CB 0.150 68.934 68.868 -0.141 0.000 0.890 176 T HN -0.221 7.843 8.240 -0.293 0.000 0.480 177 R N -1.228 119.153 120.500 -0.199 0.000 2.254 177 R HA 0.110 4.389 4.340 -0.102 0.000 0.193 177 R C 0.625 176.865 176.300 -0.100 0.000 0.929 177 R CA 1.574 57.589 56.100 -0.142 0.000 1.038 177 R CB 1.179 31.386 30.300 -0.156 0.000 1.009 177 R HN -0.263 7.844 8.270 -0.271 0.000 0.512 178 V N -2.279 117.543 119.914 -0.154 0.000 3.134 178 V HA 0.087 4.254 4.120 0.080 0.000 0.222 178 V C 1.040 177.201 176.094 0.112 0.000 1.247 178 V CA 1.680 63.976 62.300 -0.008 0.000 1.281 178 V CB 1.517 33.320 31.823 -0.033 0.000 1.169 178 V HN -0.393 7.635 8.190 -0.270 0.000 0.512 179 F N 0.145 120.024 119.950 -0.119 0.000 2.075 179 F HA -0.298 4.162 4.527 -0.111 0.000 0.297 179 F C 2.563 178.282 175.800 -0.136 0.000 1.113 179 F CA 2.505 60.404 58.000 -0.168 0.000 1.218 179 F CB -1.333 37.459 39.000 -0.347 0.000 0.984 179 F HN -0.241 7.877 8.300 -0.303 0.000 0.472 180 Q N -1.185 118.638 119.800 0.038 0.000 2.046 180 Q HA -0.031 4.284 4.340 -0.041 0.000 0.200 180 Q C 0.684 176.683 176.000 -0.002 0.000 0.975 180 Q CA 4.279 60.068 55.803 -0.023 0.000 0.836 180 Q CB -1.738 26.962 28.738 -0.064 0.000 0.896 180 Q HN -0.188 8.081 8.270 -0.001 0.000 0.428 181 P HA -0.180 4.242 4.420 0.004 0.000 0.218 181 P C -0.068 177.259 177.300 0.044 0.000 1.149 181 P CA 2.201 65.312 63.100 0.019 0.000 0.817 181 P CB -0.129 31.582 31.700 0.018 0.000 0.785 182 L N -5.662 115.613 121.223 0.088 0.000 2.592 182 L HA -0.003 4.391 4.340 0.089 0.000 0.227 182 L C -1.142 175.777 176.870 0.081 0.000 1.127 182 L CA -0.387 54.521 54.840 0.114 0.000 0.884 182 L CB -0.535 41.659 42.059 0.224 0.000 1.065 182 L HN -0.818 7.451 8.230 0.105 0.023 0.457 183 K N -5.172 115.251 120.400 0.038 0.000 3.125 183 K HA -0.445 3.977 4.320 -0.025 -0.117 0.268 183 K C -0.798 175.796 176.600 -0.010 0.000 1.078 183 K CA 0.844 57.132 56.287 0.001 0.000 0.775 183 K CB -2.905 29.601 32.500 0.009 0.000 1.253 183 K HN -0.354 7.729 8.250 0.033 0.186 0.486 184 L N -1.459 119.747 121.223 -0.029 0.000 2.387 184 L HA 0.116 4.606 4.340 -0.062 -0.187 0.267 184 L C -0.827 175.881 176.870 -0.270 0.000 1.197 184 L CA -0.877 53.892 54.840 -0.118 0.000 1.070 184 L CB -1.665 40.301 42.059 -0.155 0.000 1.349 184 L HN -0.024 8.183 8.230 0.002 0.024 0.422 185 N N 1.456 120.006 118.700 -0.250 0.000 2.398 185 N HA -0.041 4.460 4.740 -0.398 0.000 0.188 185 N C 0.422 175.499 175.510 -0.722 0.000 1.122 185 N CA 0.809 53.597 53.050 -0.436 0.000 0.866 185 N CB 0.257 38.517 38.487 -0.379 0.000 0.970 185 N HN 0.117 8.409 8.380 -0.146 0.000 0.462 186 H N -1.388 117.583 119.070 -0.165 0.000 2.651 186 H HA 0.399 5.010 4.556 0.091 0.000 0.241 186 H C -1.433 173.784 175.328 -0.184 0.000 1.225 186 H CA -1.201 54.812 56.048 -0.059 0.000 0.942 186 H CB 0.028 29.784 29.762 -0.010 0.000 1.996 186 H HN -0.191 nan 8.280 nan 0.000 0.600 187 T N 3.172 117.417 114.554 -0.516 0.000 2.841 187 T HA 0.410 4.632 4.350 -0.515 -0.181 0.285 187 T C -1.400 172.600 174.700 -1.166 0.000 0.991 187 T CA -0.568 61.040 62.100 -0.820 0.000 0.966 187 T CB 1.683 69.843 68.868 -1.181 0.000 0.962 187 T HN -0.460 7.363 8.240 -0.695 0.000 0.438 188 W N 5.413 126.384 121.300 -0.547 0.000 3.127 188 W HA 0.286 4.853 4.660 -0.156 0.000 0.330 188 W C -1.664 174.725 176.519 -0.218 0.000 1.187 188 W CA -0.127 57.045 57.345 -0.288 0.000 1.198 188 W CB 2.866 32.168 29.460 -0.263 0.000 1.408 188 W HN 0.711 8.664 8.180 -0.378 0.000 0.529 189 I N 1.113 121.802 120.570 0.198 0.000 2.494 189 I HA 0.021 4.390 4.170 0.026 -0.183 0.250 189 I C 0.092 176.239 176.117 0.051 0.000 1.112 189 I CA 1.538 62.895 61.300 0.094 0.000 1.438 189 I CB 1.017 39.085 38.000 0.113 0.000 1.111 189 I HN 0.378 8.762 8.210 0.290 0.000 0.431 190 N N 0.482 119.250 118.700 0.113 0.000 2.476 190 N HA 0.098 4.800 4.740 -0.062 0.000 0.257 190 N C -1.323 174.100 175.510 -0.144 0.000 0.970 190 N CA -1.105 51.938 53.050 -0.013 0.000 0.938 190 N CB 0.894 39.380 38.487 -0.002 0.000 1.144 190 N HN -0.722 7.995 8.380 0.237 -0.195 0.500 191 V N 4.980 124.710 119.914 -0.306 0.000 2.479 191 V HA -0.027 3.669 4.120 -0.707 0.000 0.281 191 V C -1.096 174.655 176.094 -0.572 0.000 1.031 191 V CA -2.827 59.144 62.300 -0.548 0.000 1.038 191 V CB -0.789 30.667 31.823 -0.612 0.000 0.981 191 V HN 0.052 8.074 8.190 -0.279 0.000 0.478 192 P HA 0.443 4.587 4.420 -0.459 0.000 0.278 192 P C -1.365 175.708 177.300 -0.378 0.000 1.258 192 P CA -2.230 60.504 63.100 -0.610 0.000 0.811 192 P CB -0.282 30.906 31.700 -0.853 0.000 1.063 193 P HA -0.281 4.231 4.420 -0.121 -0.164 0.216 193 P C 1.219 178.442 177.300 -0.129 0.000 1.154 193 P CA 2.664 65.677 63.100 -0.146 0.000 0.865 193 P CB -0.331 31.307 31.700 -0.103 0.000 0.789 194 A N -4.374 118.359 122.820 -0.146 0.000 2.070 194 A HA -0.102 4.180 4.320 -0.063 0.000 0.220 194 A C 1.408 178.939 177.584 -0.087 0.000 1.159 194 A CA 2.278 54.258 52.037 -0.095 0.000 0.656 194 A CB -0.722 18.232 19.000 -0.076 0.000 0.800 194 A HN 0.055 8.081 8.150 -0.179 0.017 0.453 195 E N -4.417 115.689 120.200 -0.157 0.000 2.481 195 E HA 0.190 4.510 4.350 -0.049 0.000 0.198 195 E C 1.123 177.672 176.600 -0.085 0.000 1.027 195 E CA -0.087 56.242 56.400 -0.118 0.000 0.900 195 E CB 0.293 29.872 29.700 -0.201 0.000 0.993 195 E HN -0.499 7.572 8.360 -0.237 0.147 0.482 196 E N 0.337 120.492 120.200 -0.076 0.000 2.160 196 E HA -0.328 4.039 4.350 0.029 0.000 0.195 196 E C 1.834 178.445 176.600 0.019 0.000 0.991 196 E CA 3.285 59.680 56.400 -0.008 0.000 0.810 196 E CB -0.384 29.311 29.700 -0.009 0.000 0.742 196 E HN -0.553 7.629 8.360 -0.101 0.118 0.466 197 K N -5.385 115.023 120.400 0.012 0.000 2.280 197 K HA -0.210 4.137 4.320 0.044 0.000 0.202 197 K C 0.722 177.341 176.600 0.032 0.000 1.047 197 K CA 1.870 58.174 56.287 0.030 0.000 0.942 197 K CB -0.518 31.996 32.500 0.023 0.000 0.739 197 K HN 0.254 8.487 8.250 -0.003 0.016 0.457 198 N N -2.409 116.306 118.700 0.024 0.000 2.236 198 N HA 0.099 4.852 4.740 0.022 0.000 0.196 198 N C -1.291 174.247 175.510 0.047 0.000 1.114 198 N CA 0.122 53.185 53.050 0.021 0.000 0.859 198 N CB 1.802 40.288 38.487 -0.001 0.000 0.982 198 N HN -0.616 7.608 8.380 0.014 0.164 0.493 199 Y N 2.611 122.828 120.300 -0.137 0.000 2.504 199 Y HA -0.164 4.270 4.550 -0.193 0.000 0.351 199 Y C -1.035 174.757 175.900 -0.179 0.000 0.988 199 Y CA -1.187 56.790 58.100 -0.205 0.000 1.239 199 Y CB 0.266 38.541 38.460 -0.308 0.000 1.128 199 Y HN -0.833 7.332 8.280 0.099 0.174 0.525 200 A N 8.639 131.494 122.820 0.060 0.000 2.507 200 A HA -0.237 4.173 4.320 0.013 -0.083 0.235 200 A C -0.936 176.638 177.584 -0.018 0.000 1.070 200 A CA 0.485 52.529 52.037 0.013 0.000 0.768 200 A CB 0.742 19.705 19.000 -0.061 0.000 1.011 200 A HN 0.070 8.262 8.150 0.069 0.000 0.502 201 W N 0.906 122.216 121.300 0.017 0.000 2.272 201 W HA -0.077 4.376 4.660 -0.345 0.000 0.318 201 W C 0.393 176.628 176.519 -0.473 0.000 1.255 201 W CA 0.325 57.491 57.345 -0.298 0.000 1.200 201 W CB 1.164 30.294 29.460 -0.550 0.000 1.170 201 W HN -0.274 8.031 8.180 0.209 0.000 0.549 202 G N -0.955 107.649 108.800 -0.328 0.000 2.537 202 G HA2 0.294 3.723 3.960 -1.156 0.000 0.273 202 G HA3 0.294 3.889 3.960 -0.666 -0.034 0.273 202 G C -2.282 172.193 174.900 -0.707 0.000 1.189 202 G CA -0.756 43.876 45.100 -0.780 0.000 0.881 202 G HN 0.089 8.397 8.290 0.030 0.000 0.535 203 Y N -1.016 119.199 120.300 -0.142 0.000 2.346 203 Y HA 0.513 5.500 4.550 -0.037 -0.459 0.332 203 Y C -1.552 174.336 175.900 -0.019 0.000 0.985 203 Y CA -0.984 57.086 58.100 -0.051 0.000 1.112 203 Y CB 3.584 42.021 38.460 -0.038 0.000 1.170 203 Y HN -0.412 7.779 8.280 -0.148 0.000 0.447 204 R N 3.073 123.624 120.500 0.085 0.000 2.451 204 R HA 0.349 4.739 4.340 0.083 0.000 0.307 204 R C -0.562 175.778 176.300 0.066 0.000 0.965 204 R CA -1.020 55.122 56.100 0.070 0.000 0.865 204 R CB 2.893 33.222 30.300 0.048 0.000 1.174 204 R HN 0.201 8.502 8.270 0.051 0.000 0.455 205 E N 5.137 125.376 120.200 0.064 0.000 2.440 205 E HA -0.315 4.062 4.350 0.044 0.000 0.246 205 E C -0.613 176.019 176.600 0.054 0.000 1.165 205 E CA 0.771 57.199 56.400 0.048 0.000 0.726 205 E CB -2.285 27.434 29.700 0.031 0.000 1.271 205 E HN 0.904 9.304 8.360 0.068 0.000 0.397 206 G N -5.535 103.319 108.800 0.090 0.000 2.168 206 G HA2 -0.455 3.578 3.960 0.122 0.000 0.263 206 G HA3 -0.455 3.537 3.960 0.054 0.000 0.263 206 G C -1.096 173.892 174.900 0.147 0.000 0.977 206 G CA 0.309 45.473 45.100 0.106 0.000 0.659 206 G HN 0.176 8.510 8.290 0.108 0.021 0.533 207 K N 0.853 121.315 120.400 0.103 0.000 2.156 207 K HA 0.277 4.615 4.320 0.030 0.000 0.254 207 K C -1.439 175.108 176.600 -0.089 0.000 0.950 207 K CA -1.881 54.419 56.287 0.021 0.000 0.849 207 K CB 1.685 34.161 32.500 -0.039 0.000 1.100 207 K HN -0.412 7.708 8.250 0.081 0.178 0.434 208 A N 4.500 127.150 122.820 -0.283 0.000 2.451 208 A HA 0.546 4.489 4.320 -0.998 -0.222 0.266 208 A C -0.252 177.108 177.584 -0.374 0.000 1.119 208 A CA -0.306 51.345 52.037 -0.643 0.000 0.786 208 A CB 0.172 18.604 19.000 -0.948 0.000 1.061 208 A HN 0.369 8.383 8.150 -0.226 0.000 0.503 209 V N 2.133 121.957 119.914 -0.151 0.000 2.971 209 V HA 0.452 4.623 4.120 0.085 0.000 0.309 209 V C -0.464 175.731 176.094 0.168 0.000 1.130 209 V CA -1.089 61.245 62.300 0.057 0.000 0.964 209 V CB 1.944 33.793 31.823 0.043 0.000 1.029 209 V HN 0.496 8.426 8.190 -0.256 0.106 0.427 210 H N 4.085 123.301 119.070 0.243 0.000 2.670 210 H HA 0.453 5.116 4.556 0.180 0.000 0.361 210 H C -1.020 174.405 175.328 0.161 0.000 1.169 210 H CA -2.176 53.949 56.048 0.129 0.000 1.198 210 H CB 2.783 32.494 29.762 -0.086 0.000 1.700 210 H HN 0.134 nan 8.280 nan 0.000 0.542 211 V N 1.552 121.658 119.914 0.320 0.000 2.788 211 V HA -0.102 4.148 4.120 0.217 0.000 0.307 211 V C -0.940 175.275 176.094 0.202 0.000 1.069 211 V CA 1.390 63.833 62.300 0.237 0.000 1.173 211 V CB 0.730 32.694 31.823 0.234 0.000 0.925 211 V HN 0.101 8.930 8.190 0.335 -0.438 0.492 212 S N 7.813 123.616 115.700 0.172 0.000 2.616 212 S HA 0.356 4.906 4.470 0.134 0.000 0.277 212 S C -2.176 172.510 174.600 0.144 0.000 1.234 212 S CA -1.855 56.428 58.200 0.139 0.000 1.028 212 S CB 0.152 63.416 63.200 0.107 0.000 0.988 212 S HN 0.065 8.473 8.310 0.162 0.000 0.522 213 P HA 0.054 4.698 4.420 0.071 -0.181 0.266 213 P C -0.863 176.490 177.300 0.089 0.000 1.195 213 P CA -0.292 62.855 63.100 0.078 0.000 0.768 213 P CB 0.582 32.310 31.700 0.046 0.000 0.838 214 G N -0.239 108.607 108.800 0.077 0.000 2.677 214 G HA2 0.204 4.198 3.960 0.056 0.000 0.291 214 G HA3 0.204 4.259 3.960 0.158 0.000 0.291 214 G C -2.460 172.441 174.900 0.002 0.000 1.435 214 G CA -0.125 45.022 45.100 0.078 0.000 0.826 214 G HN -0.285 8.320 8.290 0.043 -0.288 0.491 215 A N 0.916 123.730 122.820 -0.010 0.000 2.546 215 A HA -0.002 4.285 4.320 -0.055 0.000 0.243 215 A C 0.424 177.959 177.584 -0.082 0.000 1.063 215 A CA 0.846 52.854 52.037 -0.047 0.000 0.757 215 A CB 0.299 19.269 19.000 -0.050 0.000 0.991 215 A HN 0.302 8.452 8.150 -0.000 0.000 0.503 216 L N -3.697 117.441 121.223 -0.142 0.000 4.232 216 L HA -0.431 3.945 4.340 -0.274 -0.200 0.415 216 L C 0.513 177.154 176.870 -0.382 0.000 1.168 216 L CA 0.697 55.403 54.840 -0.225 0.000 0.966 216 L CB -2.504 39.483 42.059 -0.120 0.000 2.052 216 L HN 0.134 8.285 8.230 -0.132 0.000 0.887 217 D N -0.878 119.248 120.400 -0.457 0.000 2.097 217 D HA -0.330 3.288 4.640 -1.703 0.000 0.195 217 D C 1.282 177.153 176.300 -0.715 0.000 0.989 217 D CA 2.862 56.315 54.000 -0.911 0.000 0.827 217 D CB -0.897 39.575 40.800 -0.547 0.000 0.966 217 D HN -0.492 7.645 8.370 -0.308 0.047 0.456 218 A N 0.665 123.236 122.820 -0.415 0.000 1.892 218 A HA -0.396 3.816 4.320 -0.180 0.000 0.218 218 A C 2.225 179.609 177.584 -0.333 0.000 1.188 218 A CA 3.261 55.136 52.037 -0.270 0.000 0.631 218 A CB -0.638 18.288 19.000 -0.124 0.000 0.822 218 A HN 0.407 8.342 8.150 -0.357 0.000 0.447 219 E N -1.925 117.892 120.200 -0.639 0.000 2.107 219 E HA -0.262 3.537 4.350 -0.919 0.000 0.191 219 E C 0.879 177.330 176.600 -0.249 0.000 0.982 219 E CA 3.175 59.145 56.400 -0.717 0.000 0.809 219 E CB -0.490 28.701 29.700 -0.847 0.000 0.756 219 E HN 0.066 8.022 8.360 -0.640 0.019 0.459 220 A N -3.819 118.855 122.820 -0.243 0.000 2.035 220 A HA 0.104 4.446 4.320 0.037 0.000 0.208 220 A C -0.498 177.158 177.584 0.119 0.000 1.206 220 A CA 1.686 53.706 52.037 -0.027 0.000 0.773 220 A CB 1.547 20.577 19.000 0.050 0.000 0.878 220 A HN -0.487 7.429 8.150 -0.390 0.000 0.469 221 Y N -10.019 110.299 120.300 0.029 0.000 2.998 221 Y HA 0.545 5.255 4.550 0.075 -0.114 0.264 221 Y C -0.919 175.000 175.900 0.031 0.000 1.092 221 Y CA -1.842 56.290 58.100 0.052 0.000 1.247 221 Y CB -0.197 38.301 38.460 0.063 0.000 1.283 221 Y HN -0.124 7.915 8.280 -0.400 0.000 0.605 222 G N 0.033 108.799 108.800 -0.056 0.000 3.393 222 G HA2 0.103 4.061 3.960 -0.002 0.000 0.255 222 G HA3 0.103 4.041 3.960 -0.133 -0.059 0.255 222 G C -1.262 173.615 174.900 -0.037 0.000 1.097 222 G CA -0.553 44.512 45.100 -0.059 0.000 0.780 222 G HN -0.506 7.732 8.290 -0.087 0.000 0.540 223 V N 2.519 122.405 119.914 -0.046 0.000 2.607 223 V HA 0.126 4.299 4.120 -0.136 -0.135 0.289 223 V C -1.284 174.704 176.094 -0.176 0.000 1.053 223 V CA -0.704 61.505 62.300 -0.152 0.000 0.996 223 V CB 0.535 32.169 31.823 -0.315 0.000 0.995 223 V HN -0.332 7.853 8.190 -0.008 0.000 0.476 224 K N 5.771 126.023 120.400 -0.246 0.000 2.270 224 K HA 0.831 5.212 4.320 -0.209 -0.187 0.255 224 K C -1.256 175.195 176.600 -0.247 0.000 0.936 224 K CA -1.324 54.806 56.287 -0.262 0.000 0.809 224 K CB 3.032 35.271 32.500 -0.434 0.000 1.131 224 K HN 0.702 8.801 8.250 -0.251 0.000 0.427 225 S N 1.496 117.123 115.700 -0.122 0.000 2.625 225 S HA 0.599 5.144 4.470 -0.142 -0.160 0.271 225 S C -1.513 173.147 174.600 0.100 0.000 1.161 225 S CA -1.789 56.359 58.200 -0.087 0.000 0.820 225 S CB 2.698 65.804 63.200 -0.157 0.000 1.137 225 S HN 0.396 8.679 8.310 -0.046 0.000 0.470 226 T N -0.915 113.700 114.554 0.102 0.000 2.912 226 T HA 0.656 5.396 4.350 0.285 -0.219 0.280 226 T C 0.794 175.606 174.700 0.187 0.000 0.989 226 T CA -2.352 59.855 62.100 0.179 0.000 0.995 226 T CB 2.392 71.311 68.868 0.085 0.000 1.077 226 T HN 0.335 8.601 8.240 0.044 0.000 0.531 227 I N 1.110 121.805 120.570 0.209 0.000 2.394 227 I HA -0.342 3.964 4.170 0.227 0.000 0.251 227 I C 0.909 177.162 176.117 0.226 0.000 1.136 227 I CA 1.640 63.072 61.300 0.219 0.000 1.425 227 I CB 0.036 38.188 38.000 0.253 0.000 1.079 227 I HN 0.913 9.266 8.210 0.238 0.000 0.425 228 E N 0.752 120.984 120.200 0.054 0.000 2.051 228 E HA -0.410 4.013 4.350 0.121 0.000 0.192 228 E C 1.720 178.415 176.600 0.158 0.000 0.991 228 E CA 3.280 59.703 56.400 0.037 0.000 0.799 228 E CB -0.331 29.278 29.700 -0.151 0.000 0.748 228 E HN -0.517 7.834 8.360 -0.014 0.000 0.449 229 D N -0.929 119.544 120.400 0.122 0.000 2.144 229 D HA -0.247 4.468 4.640 0.124 0.000 0.199 229 D C 2.394 178.820 176.300 0.210 0.000 0.984 229 D CA 3.120 57.195 54.000 0.125 0.000 0.834 229 D CB -0.426 40.393 40.800 0.031 0.000 0.955 229 D HN -0.467 7.961 8.370 0.096 0.000 0.465 230 M N -1.153 118.586 119.600 0.232 0.000 2.117 230 M HA -0.339 4.379 4.480 0.398 0.000 0.262 230 M C 1.952 178.442 176.300 0.316 0.000 1.065 230 M CA 3.437 58.930 55.300 0.321 0.000 1.114 230 M CB -0.414 32.357 32.600 0.285 0.000 1.361 230 M HN -0.108 8.302 8.290 0.200 0.000 0.408 231 A N -0.869 122.116 122.820 0.275 0.000 1.908 231 A HA -0.403 4.011 4.320 0.155 0.000 0.218 231 A C 2.106 179.773 177.584 0.138 0.000 1.181 231 A CA 3.374 55.531 52.037 0.200 0.000 0.627 231 A CB -1.040 18.111 19.000 0.253 0.000 0.818 231 A HN -0.001 8.328 8.150 0.300 0.000 0.445 232 R N -2.027 118.580 120.500 0.179 0.000 2.092 232 R HA -0.235 4.360 4.340 0.079 -0.207 0.231 232 R C 2.387 178.796 176.300 0.182 0.000 1.119 232 R CA 3.031 59.216 56.100 0.141 0.000 0.970 232 R CB -0.078 30.311 30.300 0.150 0.000 0.864 232 R HN -0.552 7.761 8.270 0.212 0.085 0.440 233 W N 0.728 122.056 121.300 0.047 0.000 2.335 233 W HA -0.358 4.315 4.660 0.022 0.000 0.311 233 W C 1.614 178.079 176.519 -0.091 0.000 1.213 233 W CA 2.689 60.047 57.345 0.022 0.000 1.274 233 W CB 0.480 30.000 29.460 0.098 0.000 1.148 233 W HN 0.009 8.289 8.180 0.428 0.157 0.498 234 V N -0.981 118.882 119.914 -0.086 0.000 2.343 234 V HA -0.588 3.090 4.120 -0.736 0.000 0.247 234 V C 2.376 178.159 176.094 -0.519 0.000 1.051 234 V CA 4.058 66.096 62.300 -0.436 0.000 1.036 234 V CB -0.909 30.784 31.823 -0.215 0.000 0.654 234 V HN 0.121 8.389 8.190 0.129 0.000 0.451 235 Q N 0.003 119.638 119.800 -0.275 0.000 2.096 235 Q HA -0.426 3.748 4.340 -0.277 0.000 0.204 235 Q C 2.262 178.083 176.000 -0.299 0.000 0.982 235 Q CA 3.214 58.865 55.803 -0.253 0.000 0.850 235 Q CB -0.575 28.083 28.738 -0.133 0.000 0.901 235 Q HN 0.146 8.322 8.270 -0.156 0.000 0.422 236 S N -0.231 115.304 115.700 -0.276 0.000 2.368 236 S HA -0.270 4.085 4.470 -0.191 0.000 0.225 236 S C 1.701 176.048 174.600 -0.422 0.000 1.030 236 S CA 3.626 61.666 58.200 -0.267 0.000 0.999 236 S CB -0.462 62.651 63.200 -0.145 0.000 0.844 236 S HN -0.253 7.911 8.310 -0.222 0.013 0.459 237 N N 0.314 118.595 118.700 -0.698 0.000 2.409 237 N HA -0.167 4.226 4.740 -0.579 0.000 0.179 237 N C 1.224 176.249 175.510 -0.808 0.000 1.032 237 N CA 2.298 54.856 53.050 -0.819 0.000 0.898 237 N CB 0.194 37.969 38.487 -1.187 0.000 0.971 237 N HN -0.501 7.413 8.380 -0.776 0.000 0.441 238 L N -2.830 117.900 121.223 -0.822 0.000 2.109 238 L HA -0.189 3.876 4.340 -0.458 0.000 0.207 238 L C -0.535 176.161 176.870 -0.289 0.000 1.086 238 L CA 3.118 57.647 54.840 -0.519 0.000 0.760 238 L CB 0.735 42.529 42.059 -0.441 0.000 0.910 238 L HN -0.072 7.568 8.230 -0.835 0.089 0.437 239 K N -5.810 114.429 120.400 -0.269 0.000 3.146 239 K HA 0.511 4.738 4.320 -0.155 0.000 0.168 239 K C -2.034 174.473 176.600 -0.154 0.000 1.075 239 K CA -2.453 53.727 56.287 -0.178 0.000 0.843 239 K CB -0.162 32.247 32.500 -0.152 0.000 1.002 239 K HN -0.648 7.411 8.250 -0.319 0.000 0.597 240 P HA -0.012 4.434 4.420 -0.127 -0.102 0.222 240 P C 0.891 178.143 177.300 -0.080 0.000 1.147 240 P CA 1.686 64.716 63.100 -0.118 0.000 0.790 240 P CB 0.189 31.825 31.700 -0.107 0.000 0.780 241 L N -5.303 115.875 121.223 -0.075 0.000 2.456 241 L HA -0.181 4.130 4.340 -0.048 0.000 0.224 241 L C 0.642 177.481 176.870 -0.051 0.000 1.148 241 L CA 1.469 56.275 54.840 -0.056 0.000 0.825 241 L CB -1.025 41.002 42.059 -0.052 0.000 0.937 241 L HN -0.400 7.717 8.230 -0.084 0.063 0.450 242 D N -3.942 116.422 120.400 -0.060 0.000 2.340 242 D HA 0.025 4.639 4.640 -0.044 0.000 0.220 242 D C -0.174 176.103 176.300 -0.039 0.000 1.039 242 D CA 0.603 54.573 54.000 -0.050 0.000 0.866 242 D CB 0.581 41.346 40.800 -0.058 0.000 0.913 242 D HN -0.616 7.659 8.370 -0.073 0.051 0.523 243 I N 0.436 120.983 120.570 -0.039 0.000 2.471 243 I HA -0.101 4.058 4.170 -0.018 0.000 0.286 243 I C 0.016 176.123 176.117 -0.017 0.000 1.079 243 I CA -1.392 59.894 61.300 -0.023 0.000 1.398 243 I CB -1.149 36.840 38.000 -0.019 0.000 1.403 243 I HN -0.520 7.497 8.210 -0.047 0.165 0.530 244 N N 4.654 123.347 118.700 -0.012 0.000 2.416 244 N HA -0.114 4.617 4.740 -0.014 0.000 0.177 244 N C -0.508 174.997 175.510 -0.009 0.000 1.036 244 N CA 1.328 54.371 53.050 -0.011 0.000 0.901 244 N CB 0.650 39.130 38.487 -0.011 0.000 0.976 244 N HN 0.264 8.639 8.380 -0.009 0.000 0.444 245 E N 0.990 121.188 120.200 -0.005 0.000 2.104 245 E HA -0.017 4.329 4.350 -0.007 0.000 0.278 245 E C -0.005 176.593 176.600 -0.003 0.000 1.127 245 E CA -0.141 56.256 56.400 -0.004 0.000 0.897 245 E CB -0.947 28.753 29.700 -0.000 0.000 1.043 245 E HN 0.136 8.495 8.360 -0.002 0.000 0.410 246 K N 6.260 126.657 120.400 -0.005 0.000 2.020 246 K HA -0.446 3.870 4.320 -0.006 0.000 0.212 246 K C 1.931 178.531 176.600 0.000 0.000 1.050 246 K CA 4.644 60.928 56.287 -0.005 0.000 0.929 246 K CB -0.443 32.054 32.500 -0.005 0.000 0.714 246 K HN 0.411 8.656 8.250 -0.007 0.000 0.443 247 T N -4.450 110.104 114.554 0.001 0.000 2.867 247 T HA -0.270 4.085 4.350 0.008 0.000 0.268 247 T C 1.680 176.389 174.700 0.014 0.000 1.057 247 T CA 3.382 65.485 62.100 0.006 0.000 1.136 247 T CB -0.474 68.394 68.868 -0.000 0.000 0.874 247 T HN -0.145 8.093 8.240 -0.002 0.000 0.466 248 L N 2.534 123.766 121.223 0.015 0.000 2.072 248 L HA -0.188 4.244 4.340 0.042 -0.067 0.205 248 L C 1.262 178.149 176.870 0.028 0.000 1.079 248 L CA 2.423 57.282 54.840 0.032 0.000 0.752 248 L CB -0.592 41.489 42.059 0.037 0.000 0.906 248 L HN -0.786 7.432 8.230 0.009 0.018 0.436 249 Q N -0.662 119.143 119.800 0.010 0.000 2.077 249 Q HA -0.532 3.798 4.340 -0.016 0.000 0.206 249 Q C 2.494 178.495 176.000 0.001 0.000 0.989 249 Q CA 3.664 59.464 55.803 -0.006 0.000 0.853 249 Q CB -0.105 28.625 28.738 -0.013 0.000 0.907 249 Q HN -0.061 8.213 8.270 0.007 0.000 0.418 250 Q N -1.394 118.412 119.800 0.010 0.000 2.167 250 Q HA -0.192 4.366 4.340 0.011 -0.212 0.202 250 Q C 2.929 178.953 176.000 0.040 0.000 0.970 250 Q CA 2.643 58.457 55.803 0.018 0.000 0.855 250 Q CB 0.013 28.761 28.738 0.017 0.000 0.911 250 Q HN -0.158 8.117 8.270 0.009 0.000 0.438 251 G N -0.200 108.630 108.800 0.051 0.000 2.402 251 G HA2 -0.249 3.810 3.960 0.091 0.000 0.216 251 G HA3 -0.249 3.815 3.960 0.084 -0.054 0.216 251 G C 0.989 175.950 174.900 0.102 0.000 1.162 251 G CA 1.778 46.928 45.100 0.082 0.000 0.777 251 G HN -0.086 8.229 8.290 0.041 0.000 0.539 252 I N 2.277 122.889 120.570 0.070 0.000 2.226 252 I HA -0.571 3.659 4.170 0.099 0.000 0.245 252 I C 1.847 177.993 176.117 0.049 0.000 1.100 252 I CA 3.949 65.280 61.300 0.051 0.000 1.374 252 I CB -0.015 37.960 38.000 -0.042 0.000 1.057 252 I HN -0.173 8.068 8.210 0.052 0.000 0.413 253 Q N -0.919 118.896 119.800 0.024 0.000 2.084 253 Q HA -0.338 3.998 4.340 -0.006 0.000 0.202 253 Q C 3.229 179.262 176.000 0.054 0.000 0.978 253 Q CA 3.087 58.899 55.803 0.014 0.000 0.844 253 Q CB -0.031 28.704 28.738 -0.005 0.000 0.898 253 Q HN -0.637 7.643 8.270 0.017 0.000 0.426 254 L N -1.424 119.854 121.223 0.092 0.000 2.141 254 L HA -0.215 4.198 4.340 0.122 0.000 0.209 254 L C 2.379 179.399 176.870 0.249 0.000 1.094 254 L CA 2.482 57.415 54.840 0.154 0.000 0.763 254 L CB -0.166 41.990 42.059 0.163 0.000 0.908 254 L HN 0.132 8.412 8.230 0.084 0.000 0.437 255 A N -2.687 120.278 122.820 0.243 0.000 2.066 255 A HA -0.238 4.278 4.320 0.327 0.000 0.218 255 A C 0.987 178.797 177.584 0.375 0.000 1.157 255 A CA 2.376 54.614 52.037 0.335 0.000 0.670 255 A CB -0.619 18.605 19.000 0.372 0.000 0.804 255 A HN -0.293 7.954 8.150 0.201 0.023 0.453 256 Q N -4.531 115.407 119.800 0.230 0.000 2.282 256 Q HA 0.112 4.557 4.340 0.176 0.000 0.206 256 Q C -0.485 175.541 176.000 0.044 0.000 0.878 256 Q CA -0.842 55.035 55.803 0.123 0.000 0.944 256 Q CB 0.597 29.339 28.738 0.006 0.000 1.100 256 Q HN -0.443 7.770 8.270 0.180 0.166 0.509 257 S N 1.450 117.158 115.700 0.014 0.000 2.585 257 S HA 0.109 4.594 4.470 -0.203 -0.137 0.273 257 S C -0.534 173.888 174.600 -0.297 0.000 1.339 257 S CA 1.616 59.678 58.200 -0.230 0.000 1.028 257 S CB 0.855 63.796 63.200 -0.431 0.000 0.906 257 S HN -0.744 7.458 8.310 0.094 0.165 0.528 258 R N 2.396 122.684 120.500 -0.353 0.000 2.215 258 R HA 0.222 4.585 4.340 0.039 0.000 0.337 258 R C 0.632 176.763 176.300 -0.282 0.000 1.010 258 R CA -0.578 55.429 56.100 -0.156 0.000 0.871 258 R CB 0.047 30.248 30.300 -0.166 0.000 1.134 258 R HN 0.188 8.237 8.270 -0.368 0.000 0.477 259 Y N 1.216 121.515 120.300 -0.002 0.000 2.479 259 Y HA 0.023 4.389 4.550 -0.307 0.000 0.283 259 Y C -0.657 174.926 175.900 -0.528 0.000 1.109 259 Y CA 1.650 59.586 58.100 -0.274 0.000 1.239 259 Y CB 1.817 40.113 38.460 -0.274 0.000 1.108 259 Y HN -0.009 8.423 8.280 0.253 0.000 0.548 260 W N -5.114 116.354 121.300 0.279 0.000 3.107 260 W HA 0.579 5.516 4.660 0.171 -0.174 0.331 260 W C -2.035 174.592 176.519 0.180 0.000 1.204 260 W CA -1.438 56.027 57.345 0.199 0.000 1.184 260 W CB 4.086 33.648 29.460 0.169 0.000 1.421 260 W HN -0.769 7.655 8.180 0.407 0.000 0.544 261 Q N 1.776 121.773 119.800 0.328 0.000 2.353 261 Q HA 0.978 5.628 4.340 -0.087 -0.361 0.268 261 Q C -1.297 174.722 176.000 0.031 0.000 1.045 261 Q CA -1.525 54.299 55.803 0.035 0.000 0.811 261 Q CB 4.363 33.049 28.738 -0.087 0.000 1.305 261 Q HN 0.615 9.105 8.270 0.366 0.000 0.447 262 T N 3.187 117.706 114.554 -0.058 0.000 2.930 262 T HA 0.551 4.883 4.350 -0.031 0.000 0.313 262 T C -0.309 174.338 174.700 -0.088 0.000 1.019 262 T CA -1.885 60.190 62.100 -0.042 0.000 1.004 262 T CB 1.758 70.621 68.868 -0.008 0.000 0.987 262 T HN 0.502 8.666 8.240 -0.128 0.000 0.456 263 G N 7.451 116.199 108.800 -0.086 0.000 2.583 263 G HA2 -0.560 3.357 3.960 -0.073 0.000 0.292 263 G HA3 -0.560 3.355 3.960 -0.075 0.000 0.292 263 G C -1.126 173.689 174.900 -0.141 0.000 1.203 263 G CA 1.801 46.848 45.100 -0.089 0.000 0.987 263 G HN 0.549 8.799 8.290 -0.067 0.000 0.554 264 D N -0.283 120.046 120.400 -0.119 0.000 2.328 264 D HA -0.005 4.549 4.640 -0.144 0.000 0.221 264 D C -0.891 175.318 176.300 -0.153 0.000 1.072 264 D CA -0.180 53.746 54.000 -0.123 0.000 0.850 264 D CB -0.405 40.360 40.800 -0.058 0.000 0.922 264 D HN 0.108 8.425 8.370 -0.089 0.000 0.516 265 M N -3.107 116.382 119.600 -0.185 0.000 2.664 265 M HA 0.614 5.249 4.480 0.044 -0.128 0.314 265 M C -2.126 174.026 176.300 -0.245 0.000 1.200 265 M CA -1.351 53.908 55.300 -0.068 0.000 0.916 265 M CB 3.679 36.344 32.600 0.109 0.000 1.717 265 M HN -0.418 7.709 8.290 -0.172 0.061 0.470 266 Y N -1.874 118.539 120.300 0.188 0.000 2.376 266 Y HA 0.703 5.581 4.550 0.215 -0.198 0.340 266 Y C -0.765 175.298 175.900 0.272 0.000 0.965 266 Y CA -1.778 56.446 58.100 0.206 0.000 1.078 266 Y CB 2.546 41.095 38.460 0.149 0.000 1.193 266 Y HN 0.651 9.143 8.280 0.354 0.000 0.452 267 Q N 3.166 123.247 119.800 0.468 0.000 2.296 267 Q HA 0.254 4.855 4.340 0.436 0.000 0.257 267 Q C -0.801 175.500 176.000 0.501 0.000 0.942 267 Q CA -1.350 54.734 55.803 0.468 0.000 0.939 267 Q CB 1.629 30.661 28.738 0.490 0.000 1.198 267 Q HN 0.009 8.569 8.270 0.484 0.000 0.429 268 G N 4.216 113.284 108.800 0.447 0.000 2.641 268 G HA2 0.632 5.147 3.960 0.633 0.000 0.239 268 G HA3 0.632 5.017 3.960 0.442 -0.160 0.239 268 G C -1.481 173.591 174.900 0.287 0.000 1.402 268 G CA -1.910 43.473 45.100 0.471 0.000 1.046 268 G HN 0.042 8.588 8.290 0.426 0.000 0.565 269 L N 0.184 121.547 121.223 0.234 0.000 2.302 269 L HA -0.042 4.217 4.340 -0.134 0.000 0.285 269 L C 1.026 177.948 176.870 0.086 0.000 1.090 269 L CA -0.491 54.365 54.840 0.028 0.000 0.866 269 L CB -1.304 40.758 42.059 0.004 0.000 1.244 269 L HN -0.194 8.134 8.230 0.350 0.113 0.435 270 G N 4.259 113.083 108.800 0.040 0.000 4.039 270 G HA2 -0.433 3.588 3.960 0.102 0.000 0.220 270 G HA3 -0.433 3.643 3.960 -0.063 -0.154 0.220 270 G C -0.478 174.470 174.900 0.081 0.000 1.391 270 G CA 0.590 45.711 45.100 0.035 0.000 0.920 270 G HN 0.125 8.401 8.290 -0.023 0.000 0.599 271 W N 2.804 124.237 121.300 0.223 0.000 2.170 271 W HA -0.289 4.494 4.660 0.205 0.000 0.342 271 W C -0.410 176.256 176.519 0.245 0.000 1.294 271 W CA 0.436 57.906 57.345 0.208 0.000 1.246 271 W CB 0.548 30.102 29.460 0.156 0.000 1.156 271 W HN -0.590 7.575 8.180 0.072 0.059 0.572 272 E N -1.720 118.822 120.200 0.571 0.000 2.256 272 E HA 0.735 5.490 4.350 0.461 -0.129 0.267 272 E C -0.752 176.145 176.600 0.495 0.000 0.892 272 E CA -1.317 55.386 56.400 0.505 0.000 0.775 272 E CB 3.685 33.671 29.700 0.477 0.000 1.207 272 E HN -0.161 8.580 8.360 0.636 0.000 0.420 273 M N -0.045 119.802 119.600 0.411 0.000 2.550 273 M HA 0.788 5.624 4.480 0.250 -0.206 0.292 273 M C -1.753 174.777 176.300 0.384 0.000 1.221 273 M CA -0.899 54.588 55.300 0.311 0.000 0.873 273 M CB 4.454 37.168 32.600 0.190 0.000 1.727 273 M HN 0.531 9.079 8.290 0.430 0.000 0.459 274 L N -1.530 119.887 121.223 0.324 0.000 2.350 274 L HA 0.511 5.113 4.340 0.437 0.000 0.260 274 L C -1.206 175.834 176.870 0.284 0.000 1.015 274 L CA -1.010 54.025 54.840 0.325 0.000 0.821 274 L CB 3.676 45.846 42.059 0.186 0.000 1.370 274 L HN 0.580 8.982 8.230 0.287 0.000 0.416 275 D N 1.381 121.937 120.400 0.260 0.000 2.455 275 D HA -0.053 4.812 4.640 0.172 -0.123 0.241 275 D C -1.063 175.373 176.300 0.227 0.000 1.138 275 D CA 1.564 55.680 54.000 0.192 0.000 0.877 275 D CB 0.486 41.370 40.800 0.139 0.000 1.187 275 D HN 0.291 8.851 8.370 0.318 0.000 0.451 276 W N 3.174 124.530 121.300 0.093 0.000 2.365 276 W HA 0.194 4.936 4.660 0.137 0.000 0.316 276 W C -2.174 174.393 176.519 0.079 0.000 1.164 276 W CA -2.848 54.566 57.345 0.115 0.000 1.204 276 W CB 0.982 30.523 29.460 0.134 0.000 1.213 276 W HN -0.239 8.058 8.180 0.361 0.100 0.539 277 P HA 0.053 2.872 4.420 -2.668 0.000 0.275 277 P C -1.647 175.314 177.300 -0.566 0.000 1.228 277 P CA -0.435 61.869 63.100 -1.327 0.000 0.786 277 P CB 0.943 32.039 31.700 -1.006 0.000 0.927 278 V N -2.111 117.486 119.914 -0.529 0.000 2.997 278 V HA 0.081 4.070 4.120 -0.217 0.000 0.311 278 V C -0.406 175.477 176.094 -0.353 0.000 1.066 278 V CA -1.597 60.520 62.300 -0.305 0.000 1.039 278 V CB 1.271 32.896 31.823 -0.331 0.000 1.081 278 V HN -0.102 7.620 8.190 -0.780 0.000 0.467 279 N N 0.922 119.428 118.700 -0.324 0.000 2.406 279 N HA 0.303 4.831 4.740 -0.354 0.000 0.251 279 N C -0.035 175.156 175.510 -0.532 0.000 1.069 279 N CA -3.663 49.173 53.050 -0.358 0.000 0.947 279 N CB 0.900 39.233 38.487 -0.257 0.000 1.111 279 N HN 0.084 8.302 8.380 -0.270 0.000 0.497 280 P HA -0.239 3.456 4.420 -1.208 0.000 0.216 280 P C 1.066 177.987 177.300 -0.632 0.000 1.150 280 P CA 2.259 64.686 63.100 -1.122 0.000 0.837 280 P CB 0.376 30.902 31.700 -1.958 0.000 0.786 281 D N -2.690 117.434 120.400 -0.459 0.000 2.218 281 D HA -0.247 4.229 4.640 -0.275 0.000 0.204 281 D C 2.088 178.248 176.300 -0.233 0.000 0.976 281 D CA 3.134 56.959 54.000 -0.291 0.000 0.853 281 D CB -0.924 39.743 40.800 -0.222 0.000 0.939 281 D HN -0.093 8.236 8.370 -0.468 -0.240 0.481 282 S N 0.364 115.916 115.700 -0.247 0.000 2.356 282 S HA -0.150 4.235 4.470 -0.141 0.000 0.223 282 S C 2.293 176.801 174.600 -0.152 0.000 1.032 282 S CA 3.247 61.340 58.200 -0.179 0.000 1.005 282 S CB -0.506 62.591 63.200 -0.171 0.000 0.867 282 S HN -0.507 7.604 8.310 -0.292 0.024 0.449 283 I N -1.893 118.547 120.570 -0.218 0.000 2.353 283 I HA -0.394 3.764 4.170 -0.020 0.000 0.248 283 I C 1.687 177.762 176.117 -0.069 0.000 1.119 283 I CA 3.212 64.440 61.300 -0.120 0.000 1.417 283 I CB -0.408 37.443 38.000 -0.249 0.000 1.078 283 I HN -0.911 7.110 8.210 -0.315 0.000 0.421 284 I N 0.808 121.289 120.570 -0.148 0.000 2.142 284 I HA -0.552 3.568 4.170 -0.083 0.000 0.240 284 I C 2.651 178.718 176.117 -0.084 0.000 1.078 284 I CA 4.137 65.371 61.300 -0.110 0.000 1.343 284 I CB -0.217 37.697 38.000 -0.142 0.000 1.046 284 I HN 0.020 8.094 8.210 -0.227 0.000 0.405 285 N N -0.599 118.043 118.700 -0.095 0.000 2.244 285 N HA -0.203 4.497 4.740 -0.067 0.000 0.183 285 N C 2.460 177.937 175.510 -0.055 0.000 1.016 285 N CA 2.423 55.429 53.050 -0.073 0.000 0.866 285 N CB -0.505 37.935 38.487 -0.080 0.000 0.980 285 N HN 0.093 8.400 8.380 -0.120 0.000 0.430 286 G N -1.772 107.001 108.800 -0.045 0.000 2.559 286 G HA2 -0.135 3.808 3.960 -0.029 0.000 0.216 286 G HA3 -0.135 3.898 3.960 0.001 -0.073 0.216 286 G C -0.620 174.271 174.900 -0.015 0.000 1.126 286 G CA 1.588 46.676 45.100 -0.019 0.000 0.778 286 G HN -0.070 8.167 8.290 -0.056 0.020 0.543 287 S N -2.843 112.844 115.700 -0.022 0.000 2.548 287 S HA -0.042 4.399 4.470 -0.050 0.000 0.215 287 S C 0.167 174.723 174.600 -0.073 0.000 0.976 287 S CA -0.063 58.110 58.200 -0.046 0.000 0.908 287 S CB -0.157 63.014 63.200 -0.047 0.000 0.781 287 S HN -0.730 7.505 8.310 -0.026 0.059 0.519 288 D N 4.023 124.386 120.400 -0.062 0.000 2.382 288 D HA -0.004 4.600 4.640 -0.060 0.000 0.245 288 D C 0.956 177.221 176.300 -0.059 0.000 1.120 288 D CA 0.387 54.352 54.000 -0.057 0.000 0.890 288 D CB 2.101 42.873 40.800 -0.046 0.000 1.201 288 D HN -0.662 7.634 8.370 -0.055 0.042 0.433 289 A N 5.603 128.391 122.820 -0.053 0.000 1.986 289 A HA -0.319 3.961 4.320 -0.067 0.000 0.220 289 A C 1.905 179.469 177.584 -0.034 0.000 1.171 289 A CA 3.075 55.083 52.037 -0.048 0.000 0.640 289 A CB -0.246 18.736 19.000 -0.030 0.000 0.811 289 A HN 0.566 8.687 8.150 -0.048 0.000 0.451 290 K N -3.091 117.293 120.400 -0.027 0.000 2.211 290 K HA -0.287 4.026 4.320 -0.011 0.000 0.204 290 K C 1.852 178.439 176.600 -0.023 0.000 1.047 290 K CA 2.619 58.894 56.287 -0.019 0.000 0.935 290 K CB -0.266 32.224 32.500 -0.018 0.000 0.728 290 K HN -0.332 8.181 8.250 -0.029 -0.280 0.452 291 I N -1.102 119.448 120.570 -0.034 0.000 2.899 291 I HA -0.085 4.066 4.170 -0.031 0.000 0.257 291 I C 2.143 178.232 176.117 -0.046 0.000 1.115 291 I CA 1.831 63.109 61.300 -0.036 0.000 1.451 291 I CB 0.735 38.713 38.000 -0.037 0.000 1.251 291 I HN -0.497 7.664 8.210 -0.039 0.026 0.456 292 A N 0.567 123.345 122.820 -0.070 0.000 1.972 292 A HA -0.195 4.064 4.320 -0.101 0.000 0.219 292 A C 0.767 178.275 177.584 -0.126 0.000 1.169 292 A CA 3.039 55.004 52.037 -0.120 0.000 0.635 292 A CB -0.102 18.789 19.000 -0.182 0.000 0.810 292 A HN 0.017 8.126 8.150 -0.068 0.000 0.446 293 L N -6.450 114.730 121.223 -0.072 0.000 2.667 293 L HA 0.127 4.469 4.340 0.003 0.000 0.232 293 L C -0.734 176.154 176.870 0.029 0.000 1.138 293 L CA -1.166 53.668 54.840 -0.010 0.000 0.921 293 L CB -0.399 41.665 42.059 0.008 0.000 1.180 293 L HN -0.760 7.407 8.230 -0.062 0.026 0.487 294 A N -0.336 122.489 122.820 0.008 0.000 2.316 294 A HA 0.087 4.434 4.320 0.045 0.000 0.284 294 A C -0.984 176.600 177.584 0.001 0.000 1.115 294 A CA -0.784 51.264 52.037 0.018 0.000 0.812 294 A CB 1.427 20.427 19.000 -0.001 0.000 1.064 294 A HN -0.713 7.254 8.150 -0.013 0.175 0.489 295 A N 1.044 123.862 122.820 -0.003 0.000 2.462 295 A HA 0.036 4.513 4.320 -0.121 -0.230 0.243 295 A C -0.164 177.311 177.584 -0.182 0.000 1.076 295 A CA 0.302 52.257 52.037 -0.137 0.000 0.773 295 A CB 0.810 19.629 19.000 -0.301 0.000 1.010 295 A HN 0.175 8.353 8.150 0.047 0.000 0.493 296 R N 1.100 121.469 120.500 -0.218 0.000 2.651 296 R HA 0.447 4.680 4.340 -0.178 0.000 0.278 296 R C -2.674 173.495 176.300 -0.219 0.000 1.010 296 R CA -3.434 52.558 56.100 -0.180 0.000 0.896 296 R CB 3.100 33.342 30.300 -0.098 0.000 1.211 296 R HN 0.049 8.181 8.270 -0.230 0.000 0.456 297 P HA -0.028 4.537 4.420 -0.238 -0.288 0.271 297 P C -1.449 175.791 177.300 -0.100 0.000 1.216 297 P CA -0.372 62.624 63.100 -0.173 0.000 0.776 297 P CB 0.256 31.881 31.700 -0.125 0.000 0.881 298 V N -3.527 116.334 119.914 -0.087 0.000 2.532 298 V HA 0.471 4.790 4.120 0.066 -0.160 0.295 298 V C -0.370 175.831 176.094 0.178 0.000 1.041 298 V CA -3.098 59.224 62.300 0.036 0.000 0.926 298 V CB 1.427 33.190 31.823 -0.099 0.000 0.992 298 V HN -0.310 7.797 8.190 -0.137 0.000 0.457 299 K N 4.994 125.545 120.400 0.251 0.000 2.234 299 K HA 0.220 4.682 4.320 0.236 0.000 0.277 299 K C -0.861 175.973 176.600 0.391 0.000 1.038 299 K CA -1.672 54.770 56.287 0.259 0.000 0.888 299 K CB 1.090 33.677 32.500 0.145 0.000 1.091 299 K HN 0.119 8.503 8.250 0.222 0.000 0.467 300 A N 5.407 128.437 122.820 0.350 0.000 2.477 300 A HA -0.030 4.132 4.320 -0.263 0.000 0.246 300 A C -0.304 177.247 177.584 -0.055 0.000 1.078 300 A CA 0.116 52.157 52.037 0.007 0.000 0.770 300 A CB 0.634 19.609 19.000 -0.041 0.000 1.011 300 A HN 0.502 8.861 8.150 0.347 0.000 0.494 301 I N 4.484 124.944 120.570 -0.182 0.000 2.310 301 I HA 0.151 4.296 4.170 -0.042 0.000 0.287 301 I C -1.277 174.747 176.117 -0.156 0.000 1.073 301 I CA -1.288 59.947 61.300 -0.107 0.000 1.216 301 I CB -2.008 35.946 38.000 -0.076 0.000 1.415 301 I HN -0.104 7.890 8.210 -0.360 0.000 0.480 302 T N 9.836 124.332 114.554 -0.096 0.000 2.853 302 T HA 0.261 4.546 4.350 -0.109 0.000 0.317 302 T C -1.624 173.039 174.700 -0.061 0.000 1.059 302 T CA -1.879 60.172 62.100 -0.083 0.000 0.954 302 T CB 0.697 69.535 68.868 -0.049 0.000 0.994 302 T HN 0.099 8.302 8.240 -0.062 0.000 0.479 303 P HA 0.382 4.745 4.420 -0.095 0.000 0.279 303 P C -2.998 174.216 177.300 -0.143 0.000 1.276 303 P CA -2.096 60.948 63.100 -0.094 0.000 0.801 303 P CB -0.621 31.037 31.700 -0.069 0.000 1.127 304 P HA 0.031 4.458 4.420 -0.322 -0.201 0.269 304 P C -0.501 176.639 177.300 -0.266 0.000 1.209 304 P CA 0.109 63.009 63.100 -0.334 0.000 0.776 304 P CB 0.701 32.028 31.700 -0.622 0.000 0.876 305 T N 5.741 120.142 114.554 -0.256 0.000 2.814 305 T HA 0.295 4.548 4.350 -0.162 0.000 0.297 305 T C -1.647 172.925 174.700 -0.213 0.000 0.956 305 T CA -1.003 60.976 62.100 -0.202 0.000 1.123 305 T CB -0.072 68.677 68.868 -0.198 0.000 0.902 305 T HN -0.177 7.902 8.240 -0.268 0.000 0.528 306 P HA -0.192 4.144 4.420 -0.140 0.000 0.269 306 P C -0.729 176.495 177.300 -0.127 0.000 1.217 306 P CA -0.285 62.736 63.100 -0.131 0.000 0.783 306 P CB 0.574 32.218 31.700 -0.093 0.000 0.898 307 A N -0.015 122.743 122.820 -0.102 0.000 2.583 307 A HA -0.285 4.349 4.320 -0.098 -0.372 0.249 307 A C -0.159 177.368 177.584 -0.094 0.000 1.035 307 A CA 0.859 52.841 52.037 -0.091 0.000 0.777 307 A CB 0.130 19.090 19.000 -0.067 0.000 0.942 307 A HN 0.275 8.371 8.150 -0.090 0.000 0.516 308 V N 3.919 123.769 119.914 -0.106 0.000 2.406 308 V HA -0.013 4.056 4.120 -0.085 0.000 0.272 308 V C 0.161 176.213 176.094 -0.069 0.000 1.043 308 V CA -0.571 61.673 62.300 -0.093 0.000 0.915 308 V CB -0.060 31.690 31.823 -0.122 0.000 0.988 308 V HN 0.412 8.532 8.190 -0.117 0.000 0.466 309 R N 5.166 125.633 120.500 -0.054 0.000 2.092 309 R HA -0.339 3.965 4.340 -0.061 0.000 0.231 309 R C 0.694 176.976 176.300 -0.031 0.000 1.119 309 R CA 1.938 58.008 56.100 -0.050 0.000 0.970 309 R CB -0.122 30.148 30.300 -0.049 0.000 0.864 309 R HN 0.251 8.490 8.270 -0.052 0.000 0.440 310 A N -0.848 121.979 122.820 0.012 0.000 3.063 310 A HA 0.102 4.470 4.320 0.079 0.000 0.263 310 A C -1.445 176.229 177.584 0.150 0.000 1.736 310 A CA -0.705 51.389 52.037 0.095 0.000 1.408 310 A CB -1.531 17.548 19.000 0.132 0.000 1.108 310 A HN 0.092 8.246 8.150 0.006 0.000 0.621 311 S N 1.232 116.986 115.700 0.090 0.000 2.570 311 S HA 0.759 5.516 4.470 0.208 -0.161 0.286 311 S C -2.215 172.457 174.600 0.120 0.000 1.099 311 S CA -0.790 57.481 58.200 0.118 0.000 0.913 311 S CB 3.688 66.876 63.200 -0.021 0.000 1.085 311 S HN -0.301 7.890 8.310 0.013 0.126 0.480 312 W N 4.164 125.488 121.300 0.040 0.000 2.342 312 W HA 0.316 5.019 4.660 -0.128 -0.120 0.310 312 W C -2.105 174.279 176.519 -0.225 0.000 1.128 312 W CA -0.732 56.581 57.345 -0.053 0.000 1.322 312 W CB 1.188 30.715 29.460 0.112 0.000 1.251 312 W HN 0.580 9.021 8.180 0.436 0.000 0.439 313 V N 8.599 128.089 119.914 -0.706 0.000 2.417 313 V HA 0.595 4.718 4.120 -0.292 -0.179 0.291 313 V C 0.051 175.731 176.094 -0.689 0.000 1.024 313 V CA -1.345 60.488 62.300 -0.779 0.000 0.861 313 V CB 0.109 30.997 31.823 -1.558 0.000 0.985 313 V HN 0.447 8.046 8.190 -0.985 0.000 0.436 314 H N 6.063 125.054 119.070 -0.131 0.000 2.981 314 H HA 0.886 5.408 4.556 -0.056 0.000 0.327 314 H C -2.178 173.407 175.328 0.428 0.000 1.342 314 H CA -1.259 54.830 56.048 0.069 0.000 1.123 314 H CB 3.066 32.894 29.762 0.110 0.000 1.851 314 H HN 0.212 nan 8.280 nan 0.000 0.531 315 K N -1.498 119.024 120.400 0.203 0.000 2.570 315 K HA 0.344 4.665 4.320 0.002 0.000 0.256 315 K C -2.286 174.426 176.600 0.187 0.000 0.939 315 K CA 0.438 56.791 56.287 0.109 0.000 0.833 315 K CB 3.565 36.116 32.500 0.085 0.000 1.318 315 K HN 0.337 8.644 8.250 0.094 0.000 0.433 316 T N 5.227 119.904 114.554 0.205 0.000 2.918 316 T HA 0.368 5.100 4.350 0.440 -0.119 0.283 316 T C -0.424 174.378 174.700 0.169 0.000 1.001 316 T CA -1.685 60.575 62.100 0.266 0.000 1.041 316 T CB 1.360 70.308 68.868 0.133 0.000 1.028 316 T HN 0.020 8.311 8.240 0.084 0.000 0.511 317 G N 1.428 110.330 108.800 0.170 0.000 2.718 317 G HA2 0.418 4.473 3.960 0.157 0.000 0.295 317 G HA3 0.418 4.718 3.960 0.184 -0.229 0.295 317 G C -3.017 171.968 174.900 0.142 0.000 1.421 317 G CA -0.219 44.978 45.100 0.162 0.000 0.902 317 G HN -0.038 8.362 8.290 0.184 0.000 0.501 318 A N 0.977 123.878 122.820 0.135 0.000 2.587 318 A HA 1.020 5.605 4.320 0.184 -0.155 0.293 318 A C -2.066 175.598 177.584 0.133 0.000 1.087 318 A CA -0.939 51.180 52.037 0.138 0.000 0.692 318 A CB 3.601 22.649 19.000 0.080 0.000 1.291 318 A HN -0.345 7.886 8.150 0.136 0.000 0.407 319 T N -1.141 113.527 114.554 0.191 0.000 2.724 319 T HA 0.334 4.714 4.350 0.049 0.000 0.274 319 T C 1.156 175.959 174.700 0.172 0.000 0.984 319 T CA -2.691 59.505 62.100 0.160 0.000 1.024 319 T CB 2.152 71.158 68.868 0.229 0.000 1.320 319 T HN -0.047 8.350 8.240 0.262 0.000 0.555 320 G N 0.110 109.001 108.800 0.151 0.000 2.432 320 G HA2 -0.191 3.824 3.960 0.090 0.000 0.219 320 G HA3 -0.191 3.835 3.960 0.109 0.000 0.219 320 G C 0.136 175.126 174.900 0.150 0.000 1.135 320 G CA 1.657 46.832 45.100 0.125 0.000 0.767 320 G HN 0.664 9.040 8.290 0.142 0.000 0.550 321 G N -3.183 105.755 108.800 0.231 0.000 3.159 321 G HA2 0.301 4.291 3.960 0.050 0.000 0.232 321 G HA3 0.301 4.283 3.960 0.037 0.000 0.232 321 G C -1.717 173.169 174.900 -0.023 0.000 1.116 321 G CA -0.807 44.349 45.100 0.094 0.000 0.767 321 G HN -0.674 7.789 8.290 0.334 0.028 0.547 322 F N -1.224 118.853 119.950 0.211 0.000 2.599 322 F HA 0.496 5.344 4.527 0.321 -0.128 0.311 322 F C -1.662 174.268 175.800 0.216 0.000 1.076 322 F CA -1.214 56.947 58.000 0.268 0.000 0.937 322 F CB 4.745 43.924 39.000 0.299 0.000 1.282 322 F HN -0.879 7.686 8.300 0.442 0.000 0.460 323 G N -0.111 108.951 108.800 0.436 0.000 2.707 323 G HA2 0.482 4.712 3.960 0.190 0.000 0.299 323 G HA3 0.482 4.522 3.960 0.133 0.000 0.299 323 G C -2.587 172.474 174.900 0.269 0.000 1.442 323 G CA -0.758 44.489 45.100 0.245 0.000 1.009 323 G HN 0.177 8.772 8.290 0.509 0.000 0.515 324 S N 4.152 119.981 115.700 0.216 0.000 2.599 324 S HA 1.119 5.937 4.470 0.248 -0.200 0.294 324 S C -1.893 172.889 174.600 0.303 0.000 1.094 324 S CA -0.968 57.379 58.200 0.244 0.000 0.931 324 S CB 4.185 67.525 63.200 0.233 0.000 1.093 324 S HN 0.456 8.874 8.310 0.180 0.000 0.488 325 Y N 1.591 121.989 120.300 0.163 0.000 2.521 325 Y HA 0.452 5.268 4.550 0.176 -0.161 0.332 325 Y C -2.774 173.270 175.900 0.241 0.000 1.121 325 Y CA -0.501 57.712 58.100 0.188 0.000 1.037 325 Y CB 4.256 42.825 38.460 0.182 0.000 1.330 325 Y HN 0.376 8.851 8.280 0.325 0.000 0.452 326 V N 1.278 121.016 119.914 -0.293 0.000 2.709 326 V HA 0.990 5.262 4.120 -0.067 -0.192 0.308 326 V C -2.686 173.145 176.094 -0.439 0.000 1.062 326 V CA -3.188 59.025 62.300 -0.144 0.000 0.901 326 V CB 3.522 35.514 31.823 0.281 0.000 1.003 326 V HN 0.030 7.998 8.190 -0.371 0.000 0.425 327 A N 4.323 126.929 122.820 -0.356 0.000 2.549 327 A HA 1.129 5.318 4.320 -0.593 -0.225 0.297 327 A C -2.449 174.864 177.584 -0.451 0.000 1.061 327 A CA -1.275 50.406 52.037 -0.593 0.000 0.690 327 A CB 3.969 22.468 19.000 -0.836 0.000 1.287 327 A HN 0.352 8.379 8.150 -0.205 0.000 0.402 328 F N -3.913 115.590 119.950 -0.746 0.000 2.686 328 F HA 0.848 5.154 4.527 -0.547 -0.107 0.311 328 F C -3.054 172.393 175.800 -0.588 0.000 1.128 328 F CA -1.701 55.941 58.000 -0.595 0.000 0.946 328 F CB 3.252 41.965 39.000 -0.479 0.000 1.336 328 F HN 0.681 8.262 8.300 -1.198 0.000 0.457 329 I N -0.729 119.673 120.570 -0.280 0.000 2.521 329 I HA 0.778 4.978 4.170 -0.346 -0.237 0.277 329 I C -1.649 174.362 176.117 -0.178 0.000 1.054 329 I CA -3.285 57.816 61.300 -0.333 0.000 1.117 329 I CB 1.839 39.505 38.000 -0.557 0.000 1.217 329 I HN 0.409 8.522 8.210 -0.161 0.000 0.469 330 P HA -0.215 4.172 4.420 -0.056 0.000 0.215 330 P C 1.234 178.468 177.300 -0.110 0.000 1.153 330 P CA 2.499 65.558 63.100 -0.068 0.000 0.853 330 P CB 0.430 32.102 31.700 -0.046 0.000 0.788 331 E N -3.358 116.774 120.200 -0.113 0.000 2.204 331 E HA -0.307 3.993 4.350 -0.083 0.000 0.195 331 E C 0.924 177.448 176.600 -0.127 0.000 0.990 331 E CA 2.445 58.786 56.400 -0.098 0.000 0.821 331 E CB -0.308 29.355 29.700 -0.061 0.000 0.750 331 E HN -0.233 8.060 8.360 -0.113 0.000 0.477 332 K N -3.655 116.634 120.400 -0.185 0.000 2.358 332 K HA 0.056 4.281 4.320 -0.158 0.000 0.197 332 K C -1.030 175.452 176.600 -0.197 0.000 1.025 332 K CA -0.738 55.433 56.287 -0.194 0.000 1.104 332 K CB 0.535 32.876 32.500 -0.264 0.000 0.855 332 K HN -0.687 7.399 8.250 -0.217 0.034 0.531 333 E N -5.338 114.756 120.200 -0.177 0.000 2.416 333 E HA -0.397 3.855 4.350 -0.163 0.000 0.249 333 E C -2.051 174.447 176.600 -0.170 0.000 1.124 333 E CA 0.540 56.836 56.400 -0.172 0.000 0.732 333 E CB -2.324 27.272 29.700 -0.174 0.000 1.286 333 E HN -0.494 7.602 8.360 -0.166 0.164 0.394 334 L N -1.298 119.832 121.223 -0.156 0.000 2.408 334 L HA 0.847 5.369 4.340 -0.064 -0.220 0.268 334 L C -2.040 174.768 176.870 -0.103 0.000 0.986 334 L CA -1.080 53.692 54.840 -0.114 0.000 0.820 334 L CB 4.085 46.053 42.059 -0.152 0.000 1.303 334 L HN -0.934 7.191 8.230 -0.167 0.005 0.411 335 G N 3.518 112.288 108.800 -0.050 0.000 2.608 335 G HA2 0.744 4.742 3.960 -0.100 0.000 0.291 335 G HA3 0.744 4.682 3.960 -0.037 0.000 0.291 335 G C -3.311 171.595 174.900 0.009 0.000 1.425 335 G CA 0.113 45.185 45.100 -0.047 0.000 0.787 335 G HN 0.272 8.559 8.290 -0.006 0.000 0.484 336 I N -1.430 119.150 120.570 0.017 0.000 2.827 336 I HA 0.972 5.425 4.170 0.116 -0.213 0.298 336 I C -2.794 173.389 176.117 0.109 0.000 1.235 336 I CA -1.982 59.372 61.300 0.090 0.000 1.021 336 I CB 4.404 42.477 38.000 0.121 0.000 1.259 336 I HN 0.597 8.797 8.210 -0.018 0.000 0.427 337 V N 6.163 126.179 119.914 0.170 0.000 2.588 337 V HA 0.648 5.046 4.120 0.179 -0.170 0.304 337 V C -1.685 174.543 176.094 0.224 0.000 1.042 337 V CA -1.833 60.585 62.300 0.197 0.000 0.877 337 V CB 3.034 34.988 31.823 0.218 0.000 0.996 337 V HN 0.517 8.818 8.190 0.186 0.000 0.425 338 M N 6.502 126.242 119.600 0.234 0.000 2.142 338 M HA 0.433 5.163 4.480 0.208 -0.124 0.299 338 M C -1.888 174.509 176.300 0.161 0.000 0.960 338 M CA -0.469 54.967 55.300 0.226 0.000 0.920 338 M CB 2.612 35.391 32.600 0.299 0.000 1.541 338 M HN 0.677 9.113 8.290 0.243 0.000 0.429 339 L N 2.924 124.146 121.223 -0.002 0.000 2.349 339 L HA 0.517 4.841 4.340 -0.027 0.000 0.278 339 L C -2.208 174.491 176.870 -0.286 0.000 0.996 339 L CA -1.193 53.497 54.840 -0.250 0.000 0.825 339 L CB 2.104 43.681 42.059 -0.804 0.000 1.243 339 L HN 0.600 8.827 8.230 -0.005 0.000 0.412 340 A N 2.204 125.113 122.820 0.149 0.000 2.435 340 A HA 0.837 5.538 4.320 0.349 -0.171 0.304 340 A C -1.404 176.525 177.584 0.575 0.000 1.064 340 A CA -1.852 50.404 52.037 0.364 0.000 0.727 340 A CB 4.147 23.364 19.000 0.362 0.000 1.284 340 A HN 0.434 8.741 8.150 0.261 0.000 0.415 341 N N 0.355 119.338 118.700 0.472 0.000 2.575 341 N HA 0.024 4.517 4.740 -0.411 0.000 0.275 341 N C -1.572 173.937 175.510 -0.002 0.000 1.202 341 N CA -0.655 52.386 53.050 -0.015 0.000 0.945 341 N CB -0.362 38.093 38.487 -0.052 0.000 1.247 341 N HN -0.131 8.548 8.380 0.498 0.000 0.510 342 K N -0.488 119.996 120.400 0.141 0.000 2.525 342 K HA 0.114 4.591 4.320 0.115 -0.088 0.254 342 K C -1.998 174.778 176.600 0.294 0.000 0.934 342 K CA -0.705 55.686 56.287 0.174 0.000 0.802 342 K CB 2.968 35.565 32.500 0.161 0.000 1.295 342 K HN -0.777 7.519 8.250 0.240 0.098 0.433 343 N N 6.146 124.981 118.700 0.225 0.000 2.402 343 N HA -0.061 4.799 4.740 0.199 0.000 0.252 343 N C -1.234 174.402 175.510 0.211 0.000 1.118 343 N CA -0.137 53.031 53.050 0.198 0.000 0.945 343 N CB -0.730 37.839 38.487 0.136 0.000 1.147 343 N HN 0.343 8.827 8.380 0.173 0.000 0.495 344 Y N 2.307 122.647 120.300 0.067 0.000 2.549 344 Y HA 0.426 4.996 4.550 0.034 0.000 0.339 344 Y C -2.548 173.369 175.900 0.029 0.000 1.053 344 Y CA -4.033 54.091 58.100 0.040 0.000 1.105 344 Y CB -0.144 38.334 38.460 0.030 0.000 1.258 344 Y HN -0.549 7.786 8.280 0.092 0.000 0.478 345 P HA 0.018 4.396 4.420 -0.070 0.000 0.265 345 P C 0.296 177.491 177.300 -0.174 0.000 1.193 345 P CA 0.351 63.413 63.100 -0.062 0.000 0.765 345 P CB 0.924 32.632 31.700 0.013 0.000 0.823 346 N N 3.004 121.599 118.700 -0.175 0.000 2.094 346 N HA -0.298 4.276 4.740 -0.277 0.000 0.191 346 N C 0.241 175.653 175.510 -0.164 0.000 1.023 346 N CA 4.611 57.540 53.050 -0.201 0.000 0.857 346 N CB -2.106 36.292 38.487 -0.150 0.000 1.013 346 N HN 0.598 8.897 8.380 -0.135 0.000 0.426 347 P HA -0.093 4.275 4.420 -0.086 0.000 0.218 347 P C 0.591 177.866 177.300 -0.042 0.000 1.148 347 P CA 2.978 66.035 63.100 -0.072 0.000 0.822 347 P CB -0.174 31.495 31.700 -0.050 0.000 0.784 348 A N -3.288 119.533 122.820 0.002 0.000 1.933 348 A HA -0.255 4.103 4.320 0.064 0.000 0.218 348 A C 2.187 179.833 177.584 0.104 0.000 1.175 348 A CA 3.084 55.171 52.037 0.083 0.000 0.628 348 A CB -0.642 18.469 19.000 0.186 0.000 0.814 348 A HN -0.413 7.720 8.150 -0.003 0.015 0.444 349 R N -1.843 118.670 120.500 0.021 0.000 2.070 349 R HA -0.308 4.136 4.340 0.173 0.000 0.233 349 R C 2.473 178.704 176.300 -0.115 0.000 1.137 349 R CA 3.090 59.178 56.100 -0.022 0.000 0.945 349 R CB -0.300 29.849 30.300 -0.252 0.000 0.845 349 R HN -0.777 7.453 8.270 -0.068 0.000 0.430 350 V N -0.378 119.375 119.914 -0.269 0.000 2.358 350 V HA -0.435 3.486 4.120 -0.332 0.000 0.246 350 V C 1.592 177.756 176.094 0.116 0.000 1.047 350 V CA 3.731 65.919 62.300 -0.187 0.000 1.035 350 V CB -0.899 30.833 31.823 -0.153 0.000 0.658 350 V HN -0.246 7.786 8.190 -0.263 0.000 0.452 351 D N -0.147 120.297 120.400 0.073 0.000 2.104 351 D HA -0.330 4.396 4.640 0.145 0.000 0.194 351 D C 1.834 178.272 176.300 0.229 0.000 0.994 351 D CA 3.543 57.624 54.000 0.135 0.000 0.830 351 D CB -0.230 40.611 40.800 0.069 0.000 0.959 351 D HN -0.311 8.067 8.370 0.014 0.000 0.452 352 A N -1.364 121.564 122.820 0.180 0.000 1.902 352 A HA -0.265 4.147 4.320 0.153 0.000 0.217 352 A C 1.975 179.708 177.584 0.249 0.000 1.181 352 A CA 3.089 55.233 52.037 0.178 0.000 0.623 352 A CB -0.724 18.354 19.000 0.130 0.000 0.818 352 A HN -0.606 7.629 8.150 0.143 0.000 0.443 353 A N -1.365 121.667 122.820 0.353 0.000 1.877 353 A HA -0.267 4.278 4.320 0.375 0.000 0.216 353 A C 1.507 179.419 177.584 0.546 0.000 1.186 353 A CA 2.902 55.230 52.037 0.484 0.000 0.620 353 A CB -0.757 18.710 19.000 0.779 0.000 0.822 353 A HN -0.343 8.003 8.150 0.326 0.000 0.443 354 W N -0.893 120.656 121.300 0.415 0.000 2.363 354 W HA -0.442 4.543 4.660 0.542 0.000 0.296 354 W C 1.871 178.531 176.519 0.235 0.000 1.212 354 W CA 4.623 62.167 57.345 0.331 0.000 1.260 354 W CB 0.184 29.676 29.460 0.053 0.000 1.131 354 W HN 0.010 8.588 8.180 0.663 0.000 0.530 355 Q N -1.999 117.964 119.800 0.273 0.000 2.084 355 Q HA -0.457 3.860 4.340 -0.040 0.000 0.202 355 Q C 2.703 178.677 176.000 -0.044 0.000 0.978 355 Q CA 3.461 59.304 55.803 0.067 0.000 0.844 355 Q CB -0.091 28.737 28.738 0.149 0.000 0.898 355 Q HN -0.307 8.197 8.270 0.391 0.000 0.426 356 I N -0.148 120.445 120.570 0.039 0.000 2.163 356 I HA -0.475 3.684 4.170 -0.017 0.000 0.240 356 I C 1.981 178.089 176.117 -0.015 0.000 1.081 356 I CA 4.196 65.503 61.300 0.012 0.000 1.353 356 I CB 0.078 38.105 38.000 0.045 0.000 1.054 356 I HN -0.569 7.701 8.210 0.113 0.008 0.407 357 L N -2.427 118.813 121.223 0.029 0.000 2.093 357 L HA -0.424 3.920 4.340 0.007 0.000 0.208 357 L C 2.083 178.905 176.870 -0.080 0.000 1.085 357 L CA 2.822 57.667 54.840 0.008 0.000 0.755 357 L CB -0.531 41.585 42.059 0.095 0.000 0.904 357 L HN -0.038 8.256 8.230 0.106 0.000 0.435 358 N N -0.579 117.948 118.700 -0.288 0.000 2.244 358 N HA -0.262 4.423 4.740 -0.092 0.000 0.183 358 N C 1.520 176.920 175.510 -0.182 0.000 1.016 358 N CA 2.776 55.608 53.050 -0.364 0.000 0.866 358 N CB -0.051 37.734 38.487 -1.171 0.000 0.980 358 N HN 0.008 8.146 8.380 -0.403 0.000 0.430 359 A N -2.141 120.586 122.820 -0.155 0.000 1.969 359 A HA -0.203 4.077 4.320 -0.066 0.000 0.218 359 A C 1.070 178.639 177.584 -0.025 0.000 1.169 359 A CA 2.315 54.307 52.037 -0.075 0.000 0.635 359 A CB 0.067 19.027 19.000 -0.067 0.000 0.810 359 A HN -0.441 7.582 8.150 -0.186 0.015 0.445 360 L N -2.262 118.959 121.223 -0.004 0.000 2.554 360 L HA 0.044 4.418 4.340 0.056 0.000 0.225 360 L C 1.059 178.011 176.870 0.138 0.000 1.104 360 L CA -0.226 54.659 54.840 0.075 0.000 0.866 360 L CB 0.384 42.498 42.059 0.092 0.000 1.047 360 L HN -0.603 7.478 8.230 -0.022 0.135 0.468 361 Q N 0.000 119.839 119.800 0.065 0.000 2.315 361 Q HA 0.000 4.347 4.340 0.012 0.000 0.214 361 Q CA 0.000 55.831 55.803 0.047 0.000 1.022 361 Q CB 0.000 28.755 28.738 0.029 0.000 1.108 361 Q HN 0.000 8.293 8.270 0.038 0.000 0.481