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 1mj5_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLGAKPFGEK KFIEIKGRRM AYIDEGTGDP ILFQHGNPTS SYLWRNIMPH DATA SEQUENCE CAGLGRLIAC DLIGMGDSDK LDPSGPERYA YAEHRDYLDA LWEALDLGDR DATA SEQUENCE VVLVVHDWGS ALGFDWARRH RERVQGIAYM EAIAMPIEWA DFPEQDRDLF DATA SEQUENCE QAFRSQAGEE LVLQDNVFVE QVLPGLILRP LSEAEMAAYR EPFLAAGEAR DATA SEQUENCE RPTLSWPRQI PIAGTPADVV AIARDYAGWL SESPIPKLFI NAEPGALTTG DATA SEQUENCE RMRDFCRTWP NQTEITVAGA HFIQEDSPDE IGAAIAAFVR RLRPAHHH 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 2 S HA 0.000 4.499 4.470 0.048 0.000 0.327 2 S C 0.000 174.620 174.600 0.033 0.000 1.055 2 S CA 0.000 58.224 58.200 0.041 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 L N 1.241 122.477 121.223 0.021 0.000 2.479 3 L HA 0.138 4.480 4.340 0.004 0.000 0.249 3 L C 0.410 177.283 176.870 0.005 0.000 1.178 3 L CA -0.241 54.605 54.840 0.010 0.000 0.811 3 L CB 0.277 42.344 42.059 0.013 0.000 1.187 3 L HN -0.011 8.232 8.230 0.022 0.000 0.480 4 G N -2.909 105.892 108.800 0.001 0.000 2.301 4 G HA2 -0.082 3.886 3.960 0.013 0.000 0.290 4 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.290 4 G C -1.737 173.160 174.900 -0.005 0.000 1.669 4 G CA -0.283 44.819 45.100 0.002 0.000 0.945 4 G HN -0.113 8.178 8.290 0.002 0.000 0.710 5 A N 0.435 123.274 122.820 0.032 0.000 2.220 5 A HA 0.069 4.453 4.320 0.106 0.000 0.211 5 A C -0.203 177.454 177.584 0.121 0.000 1.176 5 A CA 0.158 52.251 52.037 0.093 0.000 0.834 5 A CB 0.730 19.792 19.000 0.103 0.000 0.868 5 A HN 0.218 8.389 8.150 0.035 0.000 0.488 6 K N 0.081 120.517 120.400 0.060 0.000 2.350 6 K HA 0.184 4.565 4.320 0.100 0.000 0.279 6 K C -2.208 174.432 176.600 0.067 0.000 1.027 6 K CA -2.692 53.639 56.287 0.074 0.000 0.969 6 K CB 0.315 32.838 32.500 0.038 0.000 0.954 6 K HN -0.277 7.995 8.250 0.036 0.000 0.474 7 P HA -0.002 4.431 4.420 0.022 0.000 0.274 7 P C -1.572 175.798 177.300 0.117 0.000 1.246 7 P CA -1.061 62.115 63.100 0.126 0.000 0.795 7 P CB 0.641 32.469 31.700 0.213 0.000 1.006 8 F N 0.680 120.607 119.950 -0.038 0.000 2.410 8 F HA -0.104 4.398 4.527 -0.041 0.000 0.348 8 F C 0.484 176.274 175.800 -0.016 0.000 1.106 8 F CA 0.269 58.246 58.000 -0.038 0.000 1.163 8 F CB 1.577 40.541 39.000 -0.061 0.000 1.129 8 F HN -0.155 8.283 8.300 0.229 0.000 0.516 9 G N 7.300 115.820 108.800 -0.465 0.000 2.578 9 G HA2 -0.434 3.278 3.960 -0.413 0.000 0.275 9 G HA3 -0.434 3.398 3.960 -0.439 -0.135 0.275 9 G C -1.752 173.057 174.900 -0.152 0.000 1.271 9 G CA 0.144 45.012 45.100 -0.386 0.000 0.941 9 G HN 0.164 8.108 8.290 -0.576 0.000 0.564 10 E N 1.858 121.988 120.200 -0.117 0.000 2.292 10 E HA 0.218 4.541 4.350 -0.045 0.000 0.272 10 E C -1.267 175.287 176.600 -0.077 0.000 0.881 10 E CA -1.179 55.178 56.400 -0.072 0.000 0.754 10 E CB 4.521 34.177 29.700 -0.073 0.000 1.201 10 E HN -0.320 8.171 8.360 -0.136 -0.212 0.425 11 K N 3.854 124.223 120.400 -0.052 0.000 2.270 11 K HA 0.071 4.465 4.320 -0.135 -0.154 0.276 11 K C 0.174 176.674 176.600 -0.168 0.000 1.023 11 K CA 0.139 56.368 56.287 -0.096 0.000 0.955 11 K CB 0.791 33.284 32.500 -0.012 0.000 0.975 11 K HN 0.317 8.551 8.250 -0.026 0.000 0.471 12 K N 1.034 121.202 120.400 -0.388 0.000 2.168 12 K HA 0.437 4.557 4.320 -0.333 0.000 0.239 12 K C -1.215 175.161 176.600 -0.373 0.000 0.999 12 K CA -1.198 54.794 56.287 -0.491 0.000 0.900 12 K CB 2.457 34.552 32.500 -0.675 0.000 1.111 12 K HN 0.767 8.693 8.250 -0.540 0.000 0.452 13 F N -4.705 115.188 119.950 -0.095 0.000 2.629 13 F HA 1.016 6.018 4.527 0.293 -0.300 0.316 13 F C -1.491 174.474 175.800 0.275 0.000 1.081 13 F CA -2.699 55.396 58.000 0.157 0.000 0.954 13 F CB 3.440 42.503 39.000 0.105 0.000 1.337 13 F HN -0.025 7.942 8.300 -0.555 0.000 0.474 14 I N 0.253 121.151 120.570 0.547 0.000 2.647 14 I HA 0.197 4.520 4.170 0.255 0.000 0.295 14 I C -1.629 174.720 176.117 0.387 0.000 1.078 14 I CA -1.549 59.967 61.300 0.360 0.000 1.048 14 I CB 4.870 43.025 38.000 0.258 0.000 1.239 14 I HN 0.412 9.012 8.210 0.650 0.000 0.421 15 E N 5.196 125.571 120.200 0.292 0.000 2.223 15 E HA 0.072 4.707 4.350 0.244 -0.140 0.282 15 E C -1.010 175.688 176.600 0.163 0.000 1.046 15 E CA -0.418 56.118 56.400 0.227 0.000 0.857 15 E CB 0.133 29.942 29.700 0.183 0.000 1.055 15 E HN 0.296 8.804 8.360 0.247 0.000 0.409 16 I N 4.951 125.620 120.570 0.165 0.000 2.476 16 I HA 0.180 4.400 4.170 0.083 0.000 0.281 16 I C -0.647 175.538 176.117 0.114 0.000 1.040 16 I CA -1.882 59.496 61.300 0.130 0.000 1.094 16 I CB 0.744 38.852 38.000 0.180 0.000 1.219 16 I HN 0.683 9.004 8.210 0.185 0.000 0.450 17 K N 5.794 126.203 120.400 0.015 0.000 3.209 17 K HA -0.375 3.915 4.320 -0.050 0.000 0.289 17 K C -0.316 176.318 176.600 0.057 0.000 1.191 17 K CA 1.053 57.320 56.287 -0.033 0.000 0.851 17 K CB -1.589 30.756 32.500 -0.259 0.000 1.242 17 K HN 0.987 9.242 8.250 0.009 0.000 0.480 18 G N -6.713 102.134 108.800 0.078 0.000 2.195 18 G HA2 -0.309 3.686 3.960 0.057 0.000 0.224 18 G HA3 -0.309 3.688 3.960 0.061 0.000 0.224 18 G C -0.606 174.343 174.900 0.081 0.000 0.990 18 G CA -0.388 44.754 45.100 0.071 0.000 0.639 18 G HN -0.058 8.233 8.290 0.077 0.045 0.514 19 R N -0.152 120.424 120.500 0.127 0.000 2.832 19 R HA 0.381 4.742 4.340 0.034 0.000 0.271 19 R C -0.938 175.418 176.300 0.093 0.000 0.996 19 R CA -2.859 53.293 56.100 0.087 0.000 0.977 19 R CB 2.249 32.606 30.300 0.095 0.000 1.168 19 R HN -0.190 8.011 8.270 0.173 0.172 0.482 20 R N 0.902 121.403 120.500 0.001 0.000 2.298 20 R HA 0.118 4.683 4.340 0.129 -0.149 0.310 20 R C -0.539 175.818 176.300 0.095 0.000 1.068 20 R CA 0.391 56.488 56.100 -0.005 0.000 0.957 20 R CB 0.569 30.629 30.300 -0.400 0.000 1.003 20 R HN 0.278 8.841 8.270 -0.055 -0.327 0.454 21 M N 5.427 125.169 119.600 0.236 0.000 2.066 21 M HA 0.287 4.892 4.480 0.207 0.000 0.340 21 M C -1.014 175.529 176.300 0.405 0.000 1.053 21 M CA -2.106 53.356 55.300 0.269 0.000 0.983 21 M CB 0.599 33.357 32.600 0.263 0.000 1.520 21 M HN 0.510 8.976 8.290 0.293 0.000 0.428 22 A N 5.669 128.694 122.820 0.342 0.000 2.371 22 A HA 0.825 5.749 4.320 0.380 -0.376 0.257 22 A C -1.244 176.599 177.584 0.431 0.000 1.089 22 A CA -1.337 50.905 52.037 0.342 0.000 0.794 22 A CB 2.163 21.282 19.000 0.198 0.000 1.029 22 A HN 0.539 8.854 8.150 0.275 0.000 0.488 23 Y N -4.044 116.379 120.300 0.204 0.000 2.677 23 Y HA 0.755 5.572 4.550 0.222 -0.133 0.334 23 Y C -2.710 173.288 175.900 0.163 0.000 1.196 23 Y CA -2.219 56.000 58.100 0.199 0.000 1.059 23 Y CB 1.969 40.550 38.460 0.201 0.000 1.315 23 Y HN 0.687 8.965 8.280 -0.004 0.000 0.455 24 I N -0.777 119.942 120.570 0.247 0.000 2.437 24 I HA 0.127 4.306 4.170 0.015 0.000 0.298 24 I C -1.672 174.624 176.117 0.298 0.000 0.984 24 I CA -0.278 61.119 61.300 0.163 0.000 1.214 24 I CB 2.179 40.318 38.000 0.232 0.000 1.365 24 I HN 0.433 8.854 8.210 0.352 0.000 0.469 25 D N 6.510 127.031 120.400 0.202 0.000 2.328 25 D HA 0.387 5.357 4.640 0.252 -0.178 0.243 25 D C -1.586 174.791 176.300 0.128 0.000 1.324 25 D CA -1.133 53.012 54.000 0.240 0.000 0.966 25 D CB 1.274 42.305 40.800 0.384 0.000 1.324 25 D HN 0.553 8.974 8.370 0.084 0.000 0.549 26 E N 4.158 124.440 120.200 0.137 0.000 2.195 26 E HA 0.488 4.851 4.350 0.022 0.000 0.271 26 E C -0.589 176.074 176.600 0.105 0.000 0.923 26 E CA -1.405 55.040 56.400 0.076 0.000 0.790 26 E CB 3.365 33.079 29.700 0.024 0.000 1.155 26 E HN -0.011 8.459 8.360 0.184 0.000 0.402 27 G N 2.226 111.062 108.800 0.059 0.000 2.757 27 G HA2 -0.328 3.661 3.960 0.048 0.000 0.638 27 G HA3 -0.328 3.684 3.960 0.087 0.000 0.638 27 G C -1.963 172.971 174.900 0.057 0.000 1.344 27 G CA -0.347 44.792 45.100 0.064 0.000 0.855 27 G HN 0.212 8.521 8.290 0.031 0.000 0.537 28 T N -3.320 111.264 114.554 0.050 0.000 2.901 28 T HA 0.222 4.596 4.350 0.039 0.000 0.293 28 T C -1.273 173.449 174.700 0.037 0.000 1.084 28 T CA -2.203 59.920 62.100 0.040 0.000 1.008 28 T CB 2.523 71.409 68.868 0.031 0.000 1.170 28 T HN -0.163 8.109 8.240 0.053 0.000 0.509 29 G N 0.428 109.244 108.800 0.027 0.000 2.422 29 G HA2 -0.262 3.708 3.960 0.018 0.000 0.607 29 G HA3 -0.262 3.711 3.960 0.022 0.000 0.607 29 G C -2.139 172.766 174.900 0.008 0.000 1.270 29 G CA -0.732 44.380 45.100 0.019 0.000 0.992 29 G HN -0.117 8.189 8.290 0.025 0.000 0.499 30 D N 1.172 121.570 120.400 -0.003 0.000 2.399 30 D HA 0.187 4.816 4.640 -0.018 0.000 0.241 30 D C -0.601 175.679 176.300 -0.033 0.000 1.133 30 D CA -0.726 53.262 54.000 -0.020 0.000 0.890 30 D CB -0.044 40.741 40.800 -0.025 0.000 1.201 30 D HN 0.007 8.376 8.370 -0.002 0.000 0.432 31 P HA 0.372 5.132 4.420 -0.054 -0.372 0.275 31 P C -0.555 176.672 177.300 -0.122 0.000 1.228 31 P CA -0.201 62.845 63.100 -0.090 0.000 0.786 31 P CB 0.854 32.459 31.700 -0.159 0.000 0.927 32 I N 2.160 122.665 120.570 -0.108 0.000 2.420 32 I HA 0.314 4.491 4.170 -0.285 -0.178 0.282 32 I C -1.877 174.069 176.117 -0.286 0.000 1.019 32 I CA -0.836 60.332 61.300 -0.220 0.000 1.130 32 I CB 2.502 40.430 38.000 -0.120 0.000 1.262 32 I HN 0.939 9.121 8.210 -0.045 0.000 0.454 33 L N 8.158 129.092 121.223 -0.482 0.000 2.294 33 L HA 0.624 4.989 4.340 -0.232 -0.164 0.283 33 L C -2.384 174.165 176.870 -0.535 0.000 1.015 33 L CA -1.676 52.906 54.840 -0.430 0.000 0.831 33 L CB 2.727 44.400 42.059 -0.642 0.000 1.217 33 L HN 0.610 8.526 8.230 -0.523 0.000 0.420 34 F N 6.817 126.524 119.950 -0.406 0.000 2.404 34 F HA 0.659 4.891 4.527 -0.843 -0.211 0.354 34 F C -0.956 174.624 175.800 -0.367 0.000 1.122 34 F CA -1.436 56.104 58.000 -0.767 0.000 1.080 34 F CB 1.308 39.545 39.000 -1.273 0.000 1.131 34 F HN 0.875 9.223 8.300 0.080 0.000 0.471 35 Q N 4.132 123.976 119.800 0.074 0.000 2.339 35 Q HA 0.493 5.110 4.340 0.461 0.000 0.268 35 Q C -1.574 174.853 176.000 0.712 0.000 1.027 35 Q CA -2.568 53.482 55.803 0.412 0.000 0.759 35 Q CB 2.761 31.695 28.738 0.326 0.000 1.244 35 Q HN 0.341 8.569 8.270 -0.070 0.000 0.464 36 H N 4.160 123.728 119.070 0.830 0.000 2.660 36 H HA 0.117 5.034 4.556 0.602 0.000 0.374 36 H C -1.025 174.516 175.328 0.355 0.000 1.291 36 H CA -0.653 55.748 56.048 0.589 0.000 1.437 36 H CB 1.429 31.461 29.762 0.451 0.000 1.509 36 H HN 0.140 8.978 8.280 0.929 0.000 0.614 37 G N -2.669 106.341 108.800 0.351 0.000 3.264 37 G HA2 0.086 3.993 3.960 -0.088 0.000 0.168 37 G HA3 0.086 4.363 3.960 0.039 -0.293 0.168 37 G C -1.938 173.141 174.900 0.299 0.000 1.145 37 G CA -1.089 44.085 45.100 0.124 0.000 0.855 37 G HN -0.418 8.188 8.290 0.527 0.000 0.629 38 N N 0.502 119.279 118.700 0.129 0.000 2.498 38 N HA 0.320 5.151 4.740 0.152 0.000 0.287 38 N C -1.063 174.627 175.510 0.300 0.000 1.097 38 N CA -2.970 50.145 53.050 0.109 0.000 0.973 38 N CB 1.372 39.797 38.487 -0.104 0.000 1.153 38 N HN -0.018 9.122 8.380 0.090 -0.706 0.472 39 P HA 0.312 4.754 4.420 0.036 0.000 0.215 39 P C -1.474 175.982 177.300 0.259 0.000 1.872 39 P CA -0.793 62.341 63.100 0.056 0.000 0.996 39 P CB -0.553 31.066 31.700 -0.134 0.000 1.772 40 T N -1.980 112.767 114.554 0.322 0.000 2.898 40 T HA 0.240 4.813 4.350 0.371 0.000 0.283 40 T C -1.564 173.112 174.700 -0.040 0.000 1.059 40 T CA -1.613 60.661 62.100 0.290 0.000 0.958 40 T CB 1.917 70.974 68.868 0.316 0.000 1.594 40 T HN -0.304 8.113 8.240 0.395 0.061 0.598 41 S N -4.321 111.215 115.700 -0.273 0.000 2.757 41 S HA 0.354 3.678 4.470 -1.911 0.000 0.285 41 S C 0.826 175.320 174.600 -0.176 0.000 1.196 41 S CA -0.854 56.912 58.200 -0.724 0.000 0.856 41 S CB 2.836 65.908 63.200 -0.213 0.000 1.212 41 S HN -0.382 7.959 8.310 0.051 0.000 0.516 42 S N 1.733 117.510 115.700 0.128 0.000 2.440 42 S HA -0.269 4.576 4.470 0.625 0.000 0.240 42 S C 1.889 176.666 174.600 0.296 0.000 1.014 42 S CA 2.874 61.308 58.200 0.391 0.000 0.980 42 S CB -0.205 63.204 63.200 0.349 0.000 0.775 42 S HN 0.326 9.015 8.310 0.087 -0.327 0.499 43 Y N 4.007 124.322 120.300 0.024 0.000 2.241 43 Y HA -0.410 4.123 4.550 -0.028 0.000 0.286 43 Y C 1.047 176.906 175.900 -0.069 0.000 1.166 43 Y CA 3.122 61.178 58.100 -0.074 0.000 1.203 43 Y CB -0.193 38.100 38.460 -0.279 0.000 0.977 43 Y HN -0.868 7.506 8.280 0.225 0.042 0.529 44 L N -0.605 120.628 121.223 0.017 0.000 2.129 44 L HA -0.214 4.145 4.340 0.031 0.000 0.212 44 L C 0.845 177.496 176.870 -0.365 0.000 1.087 44 L CA 2.819 57.558 54.840 -0.169 0.000 0.757 44 L CB -0.029 41.820 42.059 -0.350 0.000 0.896 44 L HN -0.532 7.729 8.230 0.117 0.039 0.434 45 W N -5.233 116.034 121.300 -0.055 0.000 3.316 45 W HA -0.043 4.539 4.660 -0.130 0.000 0.327 45 W C 0.554 176.880 176.519 -0.322 0.000 1.232 45 W CA -0.293 56.948 57.345 -0.173 0.000 1.805 45 W CB -0.273 29.061 29.460 -0.211 0.000 1.090 45 W HN -0.645 7.512 8.180 0.041 0.048 0.654 46 R N 0.086 120.500 120.500 -0.145 0.000 2.120 46 R HA -0.339 3.920 4.340 -0.134 0.000 0.234 46 R C 0.065 176.265 176.300 -0.167 0.000 1.123 46 R CA 3.277 59.272 56.100 -0.175 0.000 0.975 46 R CB -0.551 29.580 30.300 -0.281 0.000 0.866 46 R HN -0.782 7.290 8.270 -0.214 0.070 0.446 47 N N -3.726 114.896 118.700 -0.131 0.000 2.280 47 N HA 0.017 4.736 4.740 -0.036 0.000 0.192 47 N C -0.330 175.195 175.510 0.024 0.000 1.109 47 N CA 0.860 53.880 53.050 -0.049 0.000 0.855 47 N CB 0.548 39.016 38.487 -0.032 0.000 0.974 47 N HN -0.058 8.211 8.380 -0.144 0.026 0.482 48 I N -0.249 120.304 120.570 -0.030 0.000 2.729 48 I HA -0.151 4.076 4.170 0.095 0.000 0.256 48 I C 1.736 177.795 176.117 -0.097 0.000 1.115 48 I CA 1.895 63.215 61.300 0.034 0.000 1.446 48 I CB 1.166 39.268 38.000 0.171 0.000 1.176 48 I HN -0.569 7.418 8.210 -0.084 0.173 0.446 49 M N -0.303 118.978 119.600 -0.531 0.000 2.144 49 M HA -0.259 3.746 4.480 -0.792 0.000 0.260 49 M C -1.104 174.858 176.300 -0.564 0.000 1.067 49 M CA 6.253 61.020 55.300 -0.887 0.000 1.095 49 M CB -2.384 29.272 32.600 -1.574 0.000 1.365 49 M HN -0.286 7.670 8.290 -0.557 0.000 0.406 50 P HA -0.250 4.216 4.420 0.075 0.000 0.218 50 P C 1.422 178.691 177.300 -0.051 0.000 1.148 50 P CA 2.678 65.730 63.100 -0.080 0.000 0.822 50 P CB -0.735 30.953 31.700 -0.020 0.000 0.784 51 H N -2.626 116.419 119.070 -0.042 0.000 2.518 51 H HA -0.176 4.392 4.556 0.020 0.000 0.289 51 H C 0.266 175.617 175.328 0.039 0.000 1.051 51 H CA 3.120 59.175 56.048 0.012 0.000 1.280 51 H CB -0.161 29.614 29.762 0.022 0.000 1.380 51 H HN -0.492 7.865 8.280 0.169 0.025 0.566 52 C N -2.843 116.543 119.300 0.143 0.000 2.693 52 C HA 0.085 4.626 4.460 0.136 0.000 0.286 52 C C -0.989 174.068 174.990 0.112 0.000 1.277 52 C CA -1.388 57.712 59.018 0.137 0.000 1.705 52 C CB -1.696 26.160 27.740 0.193 0.000 1.879 52 C HN -0.484 7.654 8.230 0.106 0.155 0.607 53 A N 1.389 124.269 122.820 0.099 0.000 2.567 53 A HA -0.159 4.243 4.320 0.137 0.000 0.240 53 A C 0.567 178.203 177.584 0.088 0.000 1.053 53 A CA 1.649 53.750 52.037 0.107 0.000 0.755 53 A CB -0.056 18.996 19.000 0.088 0.000 0.978 53 A HN -0.679 7.449 8.150 0.082 0.072 0.507 54 G N 2.285 111.137 108.800 0.087 0.000 2.184 54 G HA2 -0.295 3.707 3.960 0.070 0.000 0.264 54 G HA3 -0.295 3.711 3.960 0.076 0.000 0.264 54 G C 0.352 175.300 174.900 0.080 0.000 0.975 54 G CA 0.835 45.982 45.100 0.078 0.000 0.642 54 G HN 0.551 8.898 8.290 0.095 0.000 0.536 55 L N -1.277 119.993 121.223 0.077 0.000 2.529 55 L HA 0.051 4.420 4.340 0.050 0.000 0.223 55 L C -0.916 175.978 176.870 0.040 0.000 1.113 55 L CA 0.275 55.148 54.840 0.056 0.000 0.861 55 L CB 0.376 42.467 42.059 0.053 0.000 1.012 55 L HN -0.302 7.910 8.230 0.086 0.070 0.461 56 G N -4.665 104.168 108.800 0.055 0.000 2.349 56 G HA2 0.038 4.070 3.960 0.030 0.000 0.294 56 G HA3 0.038 4.109 3.960 0.028 -0.095 0.294 56 G C -2.260 172.679 174.900 0.065 0.000 1.380 56 G CA -0.021 45.104 45.100 0.042 0.000 0.811 56 G HN -0.900 7.433 8.290 0.072 0.000 0.519 57 R N 0.403 120.933 120.500 0.050 0.000 2.421 57 R HA -0.142 4.369 4.340 0.083 -0.122 0.305 57 R C -0.630 175.731 176.300 0.102 0.000 1.039 57 R CA 0.776 56.916 56.100 0.068 0.000 1.003 57 R CB 0.590 30.914 30.300 0.040 0.000 0.959 57 R HN -0.213 7.978 8.270 0.029 0.097 0.427 58 L N 5.327 126.647 121.223 0.161 0.000 2.276 58 L HA 0.501 5.152 4.340 0.272 -0.148 0.286 58 L C -1.089 175.922 176.870 0.234 0.000 1.024 58 L CA -0.927 54.053 54.840 0.234 0.000 0.826 58 L CB 0.387 42.590 42.059 0.241 0.000 1.211 58 L HN 0.590 8.918 8.230 0.163 0.000 0.422 59 I N 3.365 124.076 120.570 0.235 0.000 2.509 59 I HA 0.824 5.611 4.170 0.254 -0.464 0.293 59 I C -2.047 174.222 176.117 0.253 0.000 1.020 59 I CA -1.780 59.648 61.300 0.213 0.000 1.088 59 I CB 3.890 41.938 38.000 0.080 0.000 1.267 59 I HN 0.485 8.854 8.210 0.264 0.000 0.430 60 A N 5.791 128.784 122.820 0.289 0.000 2.446 60 A HA 0.783 5.469 4.320 0.302 -0.185 0.282 60 A C -1.418 176.415 177.584 0.416 0.000 1.102 60 A CA -1.427 50.806 52.037 0.326 0.000 0.737 60 A CB 2.747 21.933 19.000 0.310 0.000 1.212 60 A HN 0.497 8.839 8.150 0.320 0.000 0.434 61 C N 3.253 122.822 119.300 0.449 0.000 2.463 61 C HA 0.198 4.957 4.460 0.499 0.000 0.380 61 C C -0.170 175.134 174.990 0.524 0.000 1.264 61 C CA 0.025 59.329 59.018 0.477 0.000 2.161 61 C CB 0.509 28.524 27.740 0.458 0.000 2.515 61 C HN 0.645 9.132 8.230 0.428 0.000 0.565 62 D N 2.745 123.423 120.400 0.464 0.000 2.280 62 D HA 0.299 5.364 4.640 0.708 0.000 0.243 62 D C 0.290 176.871 176.300 0.468 0.000 1.129 62 D CA -0.940 53.365 54.000 0.507 0.000 0.848 62 D CB 1.117 42.096 40.800 0.299 0.000 1.107 62 D HN 0.303 8.929 8.370 0.427 0.000 0.471 63 L N 2.984 124.565 121.223 0.596 0.000 2.492 63 L HA -0.121 4.406 4.340 0.313 0.000 0.280 63 L C -0.073 177.005 176.870 0.347 0.000 1.240 63 L CA 0.587 55.671 54.840 0.406 0.000 0.831 63 L CB 0.386 42.691 42.059 0.410 0.000 1.100 63 L HN -0.155 8.689 8.230 1.024 0.000 0.505 64 I N 0.553 121.267 120.570 0.240 0.000 2.775 64 I HA -0.491 3.687 4.170 0.013 0.000 0.290 64 I C 0.601 176.799 176.117 0.135 0.000 1.203 64 I CA 1.533 62.845 61.300 0.021 0.000 1.433 64 I CB 0.227 37.984 38.000 -0.404 0.000 1.354 64 I HN 0.295 8.667 8.210 0.271 0.000 0.579 65 G N 6.833 115.694 108.800 0.101 0.000 2.189 65 G HA2 -0.361 3.726 3.960 0.071 0.000 0.267 65 G HA3 -0.361 3.602 3.960 0.006 0.000 0.267 65 G C -1.102 173.822 174.900 0.041 0.000 0.975 65 G CA 0.560 45.700 45.100 0.066 0.000 0.644 65 G HN 0.140 8.455 8.290 0.043 0.000 0.537 66 M N -0.537 119.133 119.600 0.116 0.000 2.690 66 M HA 0.271 4.751 4.480 0.001 0.000 0.302 66 M C 0.126 176.432 176.300 0.010 0.000 1.234 66 M CA -1.184 54.187 55.300 0.118 0.000 0.853 66 M CB 3.050 35.892 32.600 0.403 0.000 1.748 66 M HN -0.575 7.732 8.290 0.148 0.072 0.469 67 G N 0.871 109.604 108.800 -0.112 0.000 2.634 67 G HA2 -0.535 3.336 3.960 -0.150 0.000 0.309 67 G HA3 -0.535 3.572 3.960 -0.023 -0.160 0.309 67 G C -0.366 174.470 174.900 -0.107 0.000 1.265 67 G CA 1.279 46.319 45.100 -0.101 0.000 0.998 67 G HN 0.551 8.739 8.290 -0.171 0.000 0.551 68 D N 4.582 124.966 120.400 -0.027 0.000 2.388 68 D HA 0.169 4.767 4.640 -0.072 0.000 0.221 68 D C -0.280 176.018 176.300 -0.004 0.000 1.133 68 D CA 0.056 54.038 54.000 -0.029 0.000 0.831 68 D CB 0.664 41.461 40.800 -0.006 0.000 0.962 68 D HN -0.127 8.603 8.370 0.017 -0.349 0.502 69 S N 0.814 116.533 115.700 0.032 0.000 2.584 69 S HA -0.097 4.614 4.470 0.041 -0.216 0.273 69 S C -0.652 173.936 174.600 -0.019 0.000 1.311 69 S CA 1.406 59.630 58.200 0.040 0.000 1.034 69 S CB 1.249 64.514 63.200 0.107 0.000 0.939 69 S HN -0.423 7.850 8.310 0.047 0.065 0.513 70 D N 3.887 124.260 120.400 -0.045 0.000 2.400 70 D HA -0.095 4.503 4.640 -0.071 0.000 0.238 70 D C -0.177 176.104 176.300 -0.033 0.000 1.157 70 D CA 0.629 54.593 54.000 -0.061 0.000 0.889 70 D CB 0.914 41.670 40.800 -0.073 0.000 1.199 70 D HN 0.142 8.488 8.370 -0.040 0.000 0.436 71 K N -0.323 120.069 120.400 -0.013 0.000 2.237 71 K HA 0.071 4.468 4.320 0.128 0.000 0.270 71 K C 0.237 176.837 176.600 -0.001 0.000 1.015 71 K CA -0.690 55.629 56.287 0.053 0.000 0.949 71 K CB 0.597 33.129 32.500 0.053 0.000 0.976 71 K HN 0.050 8.283 8.250 -0.028 0.000 0.472 72 L N 2.009 123.223 121.223 -0.015 0.000 2.371 72 L HA -0.013 4.231 4.340 -0.160 0.000 0.272 72 L C -0.988 175.818 176.870 -0.108 0.000 1.124 72 L CA -0.147 54.584 54.840 -0.183 0.000 0.816 72 L CB 0.682 42.429 42.059 -0.520 0.000 1.129 72 L HN 0.006 8.320 8.230 0.139 0.000 0.448 73 D N 1.172 121.515 120.400 -0.095 0.000 2.613 73 D HA 0.175 4.780 4.640 -0.058 0.000 0.230 73 D C -1.866 174.397 176.300 -0.060 0.000 1.365 73 D CA -2.706 51.258 54.000 -0.059 0.000 0.976 73 D CB 2.667 43.449 40.800 -0.031 0.000 1.415 73 D HN -0.013 8.297 8.370 -0.099 0.000 0.589 74 P HA 0.314 4.709 4.420 -0.043 0.000 0.277 74 P C -1.505 175.739 177.300 -0.093 0.000 1.240 74 P CA -0.760 62.304 63.100 -0.060 0.000 0.798 74 P CB 1.470 33.139 31.700 -0.051 0.000 0.979 75 S N -0.572 115.093 115.700 -0.058 0.000 2.570 75 S HA 0.332 4.731 4.470 -0.119 0.000 0.286 75 S C -1.468 173.123 174.600 -0.015 0.000 1.099 75 S CA -0.928 57.241 58.200 -0.051 0.000 0.913 75 S CB 1.805 65.030 63.200 0.042 0.000 1.085 75 S HN 0.108 8.398 8.310 -0.034 0.000 0.480 76 G N 1.889 110.684 108.800 -0.008 0.000 2.325 76 G HA2 0.115 4.327 3.960 0.013 0.000 0.295 76 G HA3 0.115 4.070 3.960 -0.009 0.000 0.295 76 G C -2.560 172.341 174.900 0.001 0.000 1.274 76 G CA 0.572 45.672 45.100 0.001 0.000 0.857 76 G HN -0.408 7.874 8.290 -0.015 0.000 0.499 77 P HA -0.060 4.366 4.420 0.009 0.000 0.222 77 P C -0.136 177.158 177.300 -0.010 0.000 1.147 77 P CA 1.390 64.492 63.100 0.003 0.000 0.790 77 P CB 0.453 32.159 31.700 0.009 0.000 0.780 78 E N -4.365 115.819 120.200 -0.027 0.000 2.489 78 E HA -0.038 4.295 4.350 -0.029 0.000 0.193 78 E C 0.047 176.598 176.600 -0.082 0.000 1.057 78 E CA -0.246 56.129 56.400 -0.042 0.000 0.866 78 E CB -0.375 29.302 29.700 -0.039 0.000 0.916 78 E HN 0.008 8.312 8.360 -0.028 0.039 0.500 79 R N -0.895 119.544 120.500 -0.102 0.000 2.532 79 R HA 0.070 4.341 4.340 -0.282 -0.100 0.272 79 R C -0.457 175.752 176.300 -0.150 0.000 1.032 79 R CA -1.253 54.706 56.100 -0.236 0.000 1.089 79 R CB 1.508 31.615 30.300 -0.321 0.000 1.098 79 R HN -0.652 7.511 8.270 -0.064 0.068 0.526 80 Y N -3.182 116.936 120.300 -0.303 0.000 4.177 80 Y HA -0.535 3.626 4.550 -0.649 0.000 0.227 80 Y C -1.462 174.157 175.900 -0.468 0.000 1.154 80 Y CA 1.038 58.852 58.100 -0.478 0.000 1.887 80 Y CB -2.831 35.369 38.460 -0.434 0.000 1.594 80 Y HN 0.580 8.878 8.280 -0.553 -0.349 0.668 81 A N -3.578 119.121 122.820 -0.202 0.000 2.327 81 A HA -0.165 4.029 4.320 -0.210 0.000 0.255 81 A C -0.869 176.632 177.584 -0.139 0.000 1.099 81 A CA -0.377 51.563 52.037 -0.161 0.000 0.801 81 A CB 1.210 20.182 19.000 -0.047 0.000 1.062 81 A HN -0.477 7.520 8.150 -0.183 0.043 0.496 82 Y N 1.928 122.138 120.300 -0.150 0.000 2.081 82 Y HA -0.490 4.089 4.550 0.048 0.000 0.280 82 Y C 1.186 177.158 175.900 0.120 0.000 1.163 82 Y CA 5.090 63.220 58.100 0.049 0.000 1.135 82 Y CB 0.234 38.808 38.460 0.190 0.000 0.970 82 Y HN 0.180 9.181 8.280 0.099 -0.661 0.498 83 A N -3.542 119.400 122.820 0.204 0.000 1.940 83 A HA -0.464 3.939 4.320 0.139 0.000 0.219 83 A C 1.683 179.266 177.584 -0.000 0.000 1.176 83 A CA 3.108 55.215 52.037 0.117 0.000 0.631 83 A CB -1.024 18.061 19.000 0.141 0.000 0.814 83 A HN 0.620 8.929 8.150 0.265 0.000 0.446 84 E N -1.150 119.031 120.200 -0.032 0.000 2.072 84 E HA -0.337 4.013 4.350 0.001 0.000 0.191 84 E C 2.190 178.783 176.600 -0.012 0.000 0.985 84 E CA 3.087 59.462 56.400 -0.042 0.000 0.801 84 E CB -0.188 29.430 29.700 -0.138 0.000 0.750 84 E HN -0.526 7.796 8.360 -0.035 0.016 0.452 85 H N -0.713 118.293 119.070 -0.107 0.000 2.352 85 H HA -0.301 4.252 4.556 -0.004 0.000 0.299 85 H C 2.232 177.505 175.328 -0.092 0.000 1.097 85 H CA 4.467 60.470 56.048 -0.075 0.000 1.311 85 H CB 0.157 29.860 29.762 -0.099 0.000 1.377 85 H HN -0.447 7.779 8.280 -0.090 0.000 0.504 86 R N -0.742 119.702 120.500 -0.093 0.000 2.096 86 R HA -0.390 3.852 4.340 -0.164 0.000 0.235 86 R C 1.773 178.044 176.300 -0.048 0.000 1.127 86 R CA 3.745 59.764 56.100 -0.135 0.000 0.968 86 R CB -0.284 29.900 30.300 -0.193 0.000 0.861 86 R HN -0.057 8.113 8.270 -0.167 0.000 0.440 87 D N -0.559 119.827 120.400 -0.024 0.000 2.104 87 D HA -0.248 4.357 4.640 -0.058 0.000 0.194 87 D C 2.579 178.803 176.300 -0.127 0.000 0.994 87 D CA 3.916 57.873 54.000 -0.072 0.000 0.830 87 D CB -0.476 40.257 40.800 -0.111 0.000 0.959 87 D HN -0.460 7.901 8.370 -0.015 0.000 0.452 88 Y N -1.113 119.136 120.300 -0.086 0.000 2.200 88 Y HA -0.312 4.206 4.550 -0.053 0.000 0.290 88 Y C 2.292 178.127 175.900 -0.108 0.000 1.137 88 Y CA 3.718 61.775 58.100 -0.073 0.000 1.163 88 Y CB 0.118 38.540 38.460 -0.064 0.000 0.988 88 Y HN -0.602 7.799 8.280 0.201 0.000 0.518 89 L N -0.404 120.796 121.223 -0.038 0.000 2.056 89 L HA -0.316 3.843 4.340 -0.302 0.000 0.207 89 L C 1.527 178.113 176.870 -0.474 0.000 1.078 89 L CA 2.776 57.400 54.840 -0.359 0.000 0.749 89 L CB -0.451 41.283 42.059 -0.541 0.000 0.901 89 L HN 0.180 8.413 8.230 0.006 0.000 0.433 90 D N -0.820 119.444 120.400 -0.226 0.000 2.123 90 D HA -0.386 4.284 4.640 0.050 0.000 0.196 90 D C 2.279 178.611 176.300 0.054 0.000 0.992 90 D CA 3.700 57.703 54.000 0.004 0.000 0.833 90 D CB -0.690 40.191 40.800 0.135 0.000 0.954 90 D HN 0.069 8.339 8.370 -0.167 0.000 0.455 91 A N -0.782 122.036 122.820 -0.003 0.000 1.898 91 A HA -0.190 4.155 4.320 0.042 0.000 0.216 91 A C 2.103 179.714 177.584 0.045 0.000 1.181 91 A CA 2.965 55.011 52.037 0.015 0.000 0.620 91 A CB -0.479 18.492 19.000 -0.048 0.000 0.819 91 A HN -0.731 7.385 8.150 -0.042 0.009 0.442 92 L N -1.436 119.803 121.223 0.027 0.000 2.017 92 L HA -0.286 4.092 4.340 0.063 0.000 0.208 92 L C 1.480 178.441 176.870 0.151 0.000 1.073 92 L CA 3.084 57.963 54.840 0.065 0.000 0.745 92 L CB -0.367 41.730 42.059 0.064 0.000 0.894 92 L HN -0.357 7.866 8.230 -0.011 0.000 0.432 93 W N -4.001 117.235 121.300 -0.106 0.000 2.374 93 W HA -0.302 4.230 4.660 -0.214 0.000 0.288 93 W C 2.285 178.761 176.519 -0.071 0.000 1.218 93 W CA 1.159 58.399 57.345 -0.175 0.000 1.245 93 W CB -1.323 27.913 29.460 -0.373 0.000 1.126 93 W HN -0.055 8.183 8.180 0.097 0.000 0.545 94 E N -2.709 117.621 120.200 0.216 0.000 2.051 94 E HA -0.326 4.125 4.350 0.168 0.000 0.192 94 E C 2.878 179.530 176.600 0.086 0.000 0.991 94 E CA 2.777 59.268 56.400 0.152 0.000 0.799 94 E CB -0.213 29.568 29.700 0.136 0.000 0.748 94 E HN -0.569 7.921 8.360 0.218 0.000 0.449 95 A N -0.458 122.403 122.820 0.069 0.000 2.024 95 A HA -0.163 4.181 4.320 0.041 0.000 0.220 95 A C 1.709 179.295 177.584 0.003 0.000 1.164 95 A CA 2.453 54.512 52.037 0.036 0.000 0.643 95 A CB -0.497 18.524 19.000 0.035 0.000 0.806 95 A HN -0.161 8.037 8.150 0.080 0.000 0.451 96 L N -4.942 116.266 121.223 -0.025 0.000 2.478 96 L HA -0.180 4.100 4.340 -0.099 0.000 0.223 96 L C -0.499 176.348 176.870 -0.037 0.000 1.140 96 L CA 0.328 55.119 54.840 -0.082 0.000 0.842 96 L CB 0.166 42.128 42.059 -0.162 0.000 0.953 96 L HN -0.631 7.523 8.230 0.002 0.078 0.452 97 D N -2.911 117.488 120.400 -0.002 0.000 2.828 97 D HA -0.336 4.321 4.640 0.028 0.000 0.241 97 D C -0.364 175.933 176.300 -0.005 0.000 1.142 97 D CA 1.222 55.229 54.000 0.011 0.000 0.755 97 D CB -1.342 39.467 40.800 0.015 0.000 1.014 97 D HN -0.507 7.716 8.370 0.015 0.155 0.420 98 L N -1.844 119.371 121.223 -0.013 0.000 2.418 98 L HA -0.083 4.216 4.340 -0.069 0.000 0.218 98 L C 0.520 177.387 176.870 -0.006 0.000 1.125 98 L CA 0.204 55.016 54.840 -0.047 0.000 0.835 98 L CB 0.195 42.185 42.059 -0.115 0.000 0.953 98 L HN 0.168 8.401 8.230 0.006 0.000 0.454 99 G N -2.788 106.029 108.800 0.030 0.000 2.598 99 G HA2 -0.431 3.554 3.960 0.042 0.000 0.244 99 G HA3 -0.431 3.543 3.960 0.024 0.000 0.244 99 G C -1.214 173.724 174.900 0.062 0.000 1.302 99 G CA 0.464 45.587 45.100 0.038 0.000 0.903 99 G HN -0.146 8.125 8.290 0.038 0.041 0.575 100 D N 1.457 121.886 120.400 0.048 0.000 2.479 100 D HA 0.008 4.700 4.640 0.086 0.000 0.218 100 D C -0.376 175.953 176.300 0.048 0.000 1.177 100 D CA -0.457 53.579 54.000 0.060 0.000 0.830 100 D CB -0.201 40.626 40.800 0.045 0.000 1.014 100 D HN 0.211 8.601 8.370 0.033 0.000 0.503 101 R N -0.652 119.864 120.500 0.027 0.000 2.835 101 R HA 0.367 4.718 4.340 0.018 0.000 0.290 101 R C -2.049 174.241 176.300 -0.016 0.000 1.410 101 R CA -1.528 54.576 56.100 0.007 0.000 1.590 101 R CB -0.615 29.679 30.300 -0.011 0.000 1.288 101 R HN -0.156 8.126 8.270 0.020 0.000 0.637 102 V N 2.097 122.013 119.914 0.004 0.000 2.498 102 V HA 0.141 4.343 4.120 -0.101 -0.143 0.279 102 V C -0.802 175.257 176.094 -0.059 0.000 1.048 102 V CA -1.086 61.179 62.300 -0.059 0.000 0.967 102 V CB 0.897 32.680 31.823 -0.066 0.000 0.988 102 V HN 0.297 8.517 8.190 0.050 0.000 0.473 103 V N 8.445 128.285 119.914 -0.123 0.000 2.350 103 V HA 0.286 4.566 4.120 -0.044 -0.187 0.276 103 V C -1.030 174.946 176.094 -0.197 0.000 1.028 103 V CA -1.251 60.980 62.300 -0.114 0.000 0.860 103 V CB 0.169 31.907 31.823 -0.141 0.000 0.990 103 V HN 0.078 8.178 8.190 -0.149 0.000 0.453 104 L N 8.050 129.212 121.223 -0.101 0.000 2.312 104 L HA 0.386 4.684 4.340 -0.313 -0.147 0.281 104 L C -1.216 175.553 176.870 -0.169 0.000 1.070 104 L CA -0.606 54.135 54.840 -0.166 0.000 0.805 104 L CB 1.417 43.483 42.059 0.012 0.000 1.174 104 L HN 0.255 8.490 8.230 0.008 0.000 0.434 105 V N 3.723 123.405 119.914 -0.387 0.000 2.409 105 V HA 0.641 4.848 4.120 -0.195 -0.204 0.290 105 V C -1.215 174.719 176.094 -0.266 0.000 1.017 105 V CA -1.569 60.479 62.300 -0.421 0.000 0.841 105 V CB 0.691 31.931 31.823 -0.971 0.000 1.003 105 V HN 0.618 8.520 8.190 -0.481 0.000 0.426 106 V N -0.441 119.514 119.914 0.067 0.000 2.962 106 V HA 0.796 5.216 4.120 0.267 -0.140 0.313 106 V C -2.362 173.982 176.094 0.417 0.000 1.099 106 V CA -3.300 59.126 62.300 0.210 0.000 0.971 106 V CB 3.929 35.753 31.823 0.001 0.000 1.028 106 V HN 0.420 8.685 8.190 0.125 0.000 0.430 107 H N 2.945 122.197 119.070 0.303 0.000 2.806 107 H HA 0.752 5.594 4.556 0.111 -0.220 0.367 107 H C -0.512 174.825 175.328 0.015 0.000 1.136 107 H CA -1.763 54.377 56.048 0.153 0.000 1.178 107 H CB 3.940 33.777 29.762 0.126 0.000 1.718 107 H HN -0.435 8.131 8.280 0.476 0.000 0.540 108 D N 3.431 123.513 120.400 -0.530 0.000 3.528 108 D HA -0.463 3.945 4.640 -0.490 -0.063 0.163 108 D C 0.153 176.172 176.300 -0.467 0.000 1.069 108 D CA 3.026 56.698 54.000 -0.546 0.000 1.082 108 D CB -0.693 39.729 40.800 -0.629 0.000 0.538 108 D HN -0.135 7.958 8.370 -0.461 0.000 0.579 109 W N 1.081 122.150 121.300 -0.384 0.000 2.421 109 W HA -0.223 4.214 4.660 -0.372 0.000 0.270 109 W C 1.841 178.157 176.519 -0.339 0.000 1.233 109 W CA 2.357 59.388 57.345 -0.524 0.000 1.226 109 W CB -0.012 28.629 29.460 -1.365 0.000 1.121 109 W HN 0.250 8.218 8.180 -0.353 0.000 0.579 110 G N -2.427 106.345 108.800 -0.047 0.000 2.432 110 G HA2 -0.422 3.552 3.960 0.023 0.000 0.219 110 G HA3 -0.422 3.885 3.960 0.108 -0.282 0.219 110 G C 0.808 175.678 174.900 -0.051 0.000 1.135 110 G CA 2.099 47.214 45.100 0.024 0.000 0.767 110 G HN 0.108 8.334 8.290 -0.055 0.031 0.550 111 S N 2.822 118.389 115.700 -0.222 0.000 2.371 111 S HA -0.267 3.764 4.470 -0.732 0.000 0.224 111 S C 1.585 175.776 174.600 -0.681 0.000 1.029 111 S CA 3.426 61.225 58.200 -0.670 0.000 0.978 111 S CB -0.607 62.119 63.200 -0.789 0.000 0.833 111 S HN -0.483 7.503 8.310 -0.194 0.208 0.466 112 A N 3.527 126.214 122.820 -0.223 0.000 1.902 112 A HA -0.227 4.031 4.320 -0.102 0.000 0.217 112 A C 2.222 180.006 177.584 0.333 0.000 1.181 112 A CA 2.943 55.048 52.037 0.114 0.000 0.623 112 A CB -0.641 18.623 19.000 0.441 0.000 0.818 112 A HN -0.701 7.333 8.150 -0.194 0.000 0.443 113 L N -2.926 118.504 121.223 0.345 0.000 2.027 113 L HA -0.213 4.376 4.340 0.415 0.000 0.206 113 L C 2.737 179.758 176.870 0.252 0.000 1.074 113 L CA 2.452 57.463 54.840 0.285 0.000 0.745 113 L CB -0.201 41.903 42.059 0.074 0.000 0.898 113 L HN -0.190 8.203 8.230 0.273 0.000 0.433 114 G N -1.728 107.181 108.800 0.182 0.000 2.403 114 G HA2 -0.255 4.027 3.960 0.536 0.000 0.216 114 G HA3 -0.255 3.863 3.960 0.263 0.000 0.216 114 G C 1.468 176.613 174.900 0.408 0.000 1.154 114 G CA 2.027 47.331 45.100 0.341 0.000 0.784 114 G HN -0.028 8.306 8.290 0.074 0.000 0.538 115 F N 0.643 120.635 119.950 0.070 0.000 2.171 115 F HA -0.324 4.278 4.527 0.125 0.000 0.300 115 F C 1.808 177.654 175.800 0.078 0.000 1.090 115 F CA 1.493 59.462 58.000 -0.053 0.000 1.293 115 F CB -0.951 37.662 39.000 -0.645 0.000 1.013 115 F HN 0.153 8.405 8.300 -0.080 0.000 0.486 116 D N -0.293 120.311 120.400 0.339 0.000 2.097 116 D HA -0.301 4.608 4.640 0.449 0.000 0.197 116 D C 1.507 178.010 176.300 0.338 0.000 0.984 116 D CA 3.068 57.325 54.000 0.429 0.000 0.826 116 D CB -0.072 41.080 40.800 0.587 0.000 0.973 116 D HN -0.529 7.992 8.370 0.284 0.020 0.460 117 W N 0.623 122.076 121.300 0.255 0.000 2.381 117 W HA -0.356 4.510 4.660 0.343 0.000 0.301 117 W C 1.745 178.438 176.519 0.290 0.000 1.205 117 W CA 4.034 61.572 57.345 0.323 0.000 1.285 117 W CB 0.263 29.963 29.460 0.400 0.000 1.133 117 W HN -0.373 8.160 8.180 0.589 0.000 0.521 118 A N -1.305 121.807 122.820 0.487 0.000 1.908 118 A HA -0.414 4.084 4.320 0.298 0.000 0.218 118 A C 2.207 179.535 177.584 -0.426 0.000 1.181 118 A CA 2.861 55.041 52.037 0.239 0.000 0.627 118 A CB -1.006 18.299 19.000 0.508 0.000 0.818 118 A HN -0.004 8.514 8.150 0.613 0.000 0.445 119 R N -1.013 119.025 120.500 -0.770 0.000 2.105 119 R HA -0.341 2.304 4.340 -2.825 0.000 0.239 119 R C 1.992 177.782 176.300 -0.850 0.000 1.135 119 R CA 3.216 58.450 56.100 -1.444 0.000 0.967 119 R CB -0.068 29.754 30.300 -0.795 0.000 0.861 119 R HN -0.263 7.796 8.270 -0.351 0.000 0.442 120 R N -5.006 115.168 120.500 -0.544 0.000 2.275 120 R HA -0.086 3.929 4.340 -0.542 0.000 0.199 120 R C 0.592 176.325 176.300 -0.944 0.000 0.989 120 R CA 1.399 57.124 56.100 -0.626 0.000 1.016 120 R CB 0.417 30.394 30.300 -0.538 0.000 0.918 120 R HN -0.593 7.331 8.270 -0.399 0.107 0.473 121 H N -2.525 116.193 119.070 -0.586 0.000 2.779 121 H HA 0.405 4.781 4.556 -0.451 -0.091 0.230 121 H C -0.351 174.772 175.328 -0.342 0.000 1.365 121 H CA -1.114 54.579 56.048 -0.592 0.000 1.086 121 H CB 0.085 29.140 29.762 -1.177 0.000 2.038 121 H HN -0.641 7.146 8.280 -0.525 0.178 0.558 122 R N 1.923 122.311 120.500 -0.187 0.000 2.115 122 R HA -0.267 4.196 4.340 0.060 -0.087 0.230 122 R C 1.138 177.476 176.300 0.064 0.000 1.111 122 R CA 3.098 59.198 56.100 -0.001 0.000 0.976 122 R CB -0.282 30.058 30.300 0.067 0.000 0.870 122 R HN 0.374 8.486 8.270 -0.264 0.000 0.445 123 E N -0.575 119.633 120.200 0.013 0.000 2.338 123 E HA -0.165 4.213 4.350 0.047 0.000 0.197 123 E C 0.908 177.538 176.600 0.050 0.000 1.007 123 E CA 2.070 58.489 56.400 0.032 0.000 0.849 123 E CB -1.124 28.581 29.700 0.008 0.000 0.774 123 E HN 0.503 8.822 8.360 -0.031 0.021 0.506 124 R N -2.334 118.203 120.500 0.062 0.000 2.334 124 R HA 0.148 4.702 4.340 0.087 -0.162 0.216 124 R C -1.308 175.088 176.300 0.161 0.000 0.905 124 R CA -0.092 56.072 56.100 0.106 0.000 1.064 124 R CB 0.811 31.186 30.300 0.125 0.000 1.046 124 R HN -0.335 7.791 8.270 0.039 0.167 0.508 125 V N -0.630 119.385 119.914 0.167 0.000 2.334 125 V HA 0.329 4.720 4.120 0.195 -0.154 0.281 125 V C -0.423 175.747 176.094 0.126 0.000 1.016 125 V CA -1.438 60.979 62.300 0.196 0.000 0.832 125 V CB 0.131 32.128 31.823 0.290 0.000 0.999 125 V HN -0.794 7.351 8.190 0.145 0.131 0.439 126 Q N 8.207 128.048 119.800 0.068 0.000 2.212 126 Q HA -0.234 4.115 4.340 0.016 0.000 0.199 126 Q C -0.395 175.602 176.000 -0.006 0.000 0.950 126 Q CA 1.427 57.235 55.803 0.009 0.000 0.863 126 Q CB 1.051 29.763 28.738 -0.044 0.000 0.944 126 Q HN 0.617 8.820 8.270 0.061 0.103 0.465 127 G N -3.356 105.470 108.800 0.043 0.000 2.601 127 G HA2 0.311 4.548 3.960 0.198 0.000 0.291 127 G HA3 0.311 4.279 3.960 0.013 0.000 0.291 127 G C -3.102 171.972 174.900 0.289 0.000 1.456 127 G CA 0.090 45.278 45.100 0.146 0.000 0.804 127 G HN -0.887 7.439 8.290 0.060 0.000 0.499 128 I N -0.563 120.277 120.570 0.449 0.000 2.468 128 I HA 0.506 5.029 4.170 0.321 -0.161 0.285 128 I C -2.361 173.983 176.117 0.378 0.000 1.039 128 I CA -1.135 60.400 61.300 0.392 0.000 1.074 128 I CB 3.482 41.715 38.000 0.388 0.000 1.228 128 I HN 0.021 8.564 8.210 0.554 0.000 0.436 129 A N 7.701 130.676 122.820 0.259 0.000 2.288 129 A HA 0.950 5.448 4.320 -0.057 -0.212 0.320 129 A C -1.857 175.873 177.584 0.244 0.000 1.217 129 A CA -2.493 49.587 52.037 0.073 0.000 0.840 129 A CB 2.769 21.740 19.000 -0.048 0.000 1.179 129 A HN 0.915 9.204 8.150 0.231 0.000 0.504 130 Y N -1.716 118.684 120.300 0.168 0.000 2.581 130 Y HA 1.001 5.854 4.550 0.202 -0.182 0.345 130 Y C -2.459 173.600 175.900 0.265 0.000 1.036 130 Y CA -3.018 55.229 58.100 0.245 0.000 1.042 130 Y CB 3.718 42.429 38.460 0.418 0.000 1.289 130 Y HN 0.576 8.819 8.280 -0.062 0.000 0.471 131 M N -3.122 116.682 119.600 0.340 0.000 2.365 131 M HA 0.525 5.245 4.480 0.218 -0.109 0.288 131 M C -1.274 175.200 176.300 0.290 0.000 1.152 131 M CA 0.150 55.594 55.300 0.241 0.000 0.948 131 M CB 4.567 37.239 32.600 0.119 0.000 1.729 131 M HN -0.199 8.341 8.290 0.416 0.000 0.487 132 E N -0.961 119.373 120.200 0.222 0.000 2.228 132 E HA -0.427 4.002 4.350 0.132 0.000 0.213 132 E C -1.489 175.140 176.600 0.050 0.000 1.282 132 E CA 1.581 58.057 56.400 0.126 0.000 0.707 132 E CB -2.263 27.452 29.700 0.026 0.000 1.150 132 E HN 0.935 9.438 8.360 0.239 0.000 0.362 133 A N -2.780 120.113 122.820 0.123 0.000 2.282 133 A HA 0.406 4.687 4.320 -0.064 0.000 0.319 133 A C -0.374 177.218 177.584 0.013 0.000 1.121 133 A CA -1.829 50.247 52.037 0.064 0.000 0.836 133 A CB 2.345 21.511 19.000 0.277 0.000 1.146 133 A HN -0.399 7.874 8.150 0.205 0.000 0.494 134 I N 0.387 120.921 120.570 -0.060 0.000 2.224 134 I HA -0.001 4.140 4.170 -0.048 0.000 0.293 134 I C -0.588 175.720 176.117 0.317 0.000 1.155 134 I CA 0.133 61.418 61.300 -0.025 0.000 1.297 134 I CB -1.506 36.316 38.000 -0.298 0.000 1.487 134 I HN -0.017 8.105 8.210 -0.145 0.000 0.564 135 A N 5.863 128.896 122.820 0.355 0.000 2.169 135 A HA 0.004 4.822 4.320 0.830 0.000 0.212 135 A C -1.908 176.029 177.584 0.589 0.000 1.153 135 A CA 1.589 53.979 52.037 0.588 0.000 0.756 135 A CB 0.762 19.980 19.000 0.364 0.000 0.813 135 A HN -0.199 8.084 8.150 0.221 0.000 0.471 136 M N -8.957 110.825 119.600 0.304 0.000 2.790 136 M HA 0.370 4.873 4.480 0.039 0.000 0.272 136 M C -3.224 173.054 176.300 -0.036 0.000 1.168 136 M CA -1.886 53.459 55.300 0.075 0.000 0.829 136 M CB 0.596 33.145 32.600 -0.085 0.000 1.675 136 M HN -0.884 7.490 8.290 0.236 0.058 0.505 137 P HA 0.063 4.540 4.420 -0.099 -0.117 0.269 137 P C -0.882 176.349 177.300 -0.115 0.000 1.209 137 P CA -0.107 62.926 63.100 -0.112 0.000 0.776 137 P CB 0.383 32.010 31.700 -0.122 0.000 0.876 138 I N -5.083 115.415 120.570 -0.120 0.000 3.206 138 I HA 0.494 4.600 4.170 -0.106 0.000 0.313 138 I C -1.600 174.427 176.117 -0.151 0.000 1.103 138 I CA -2.519 58.709 61.300 -0.120 0.000 0.985 138 I CB 4.203 42.143 38.000 -0.100 0.000 1.240 138 I HN 0.333 8.466 8.210 -0.129 0.000 0.464 139 E N -0.057 120.074 120.200 -0.116 0.000 2.232 139 E HA 0.172 4.436 4.350 -0.143 0.000 0.264 139 E C 1.065 177.607 176.600 -0.096 0.000 0.973 139 E CA -2.299 54.042 56.400 -0.098 0.000 0.849 139 E CB 1.648 31.346 29.700 -0.005 0.000 1.198 139 E HN -0.026 8.603 8.360 -0.082 -0.319 0.407 140 W N 1.783 123.101 121.300 0.030 0.000 2.374 140 W HA -0.257 4.430 4.660 0.045 0.000 0.288 140 W C 2.022 178.588 176.519 0.079 0.000 1.218 140 W CA 2.924 60.293 57.345 0.040 0.000 1.245 140 W CB -0.275 29.184 29.460 -0.002 0.000 1.126 140 W HN 0.437 8.673 8.180 0.094 0.000 0.545 141 A N -2.185 120.781 122.820 0.242 0.000 2.076 141 A HA -0.270 4.152 4.320 0.169 0.000 0.220 141 A C 0.952 178.608 177.584 0.120 0.000 1.160 141 A CA 2.377 54.509 52.037 0.158 0.000 0.653 141 A CB -0.989 18.069 19.000 0.097 0.000 0.801 141 A HN 0.052 8.316 8.150 0.215 0.015 0.455 142 D N -3.448 117.011 120.400 0.097 0.000 2.348 142 D HA -0.070 4.585 4.640 0.025 0.000 0.211 142 D C -0.153 176.176 176.300 0.048 0.000 0.998 142 D CA 0.830 54.855 54.000 0.043 0.000 0.873 142 D CB 0.386 41.185 40.800 -0.003 0.000 0.925 142 D HN -0.484 7.789 8.370 0.095 0.154 0.524 143 F N 1.633 121.569 119.950 -0.023 0.000 2.418 143 F HA 0.155 4.610 4.527 -0.119 0.000 0.341 143 F C -2.195 173.597 175.800 -0.014 0.000 1.120 143 F CA -2.233 55.740 58.000 -0.045 0.000 1.232 143 F CB 1.673 40.698 39.000 0.042 0.000 1.175 143 F HN -0.783 7.529 8.300 0.303 0.169 0.569 144 P HA 0.038 4.364 4.420 -0.158 0.000 0.264 144 P C -0.701 176.615 177.300 0.027 0.000 1.193 144 P CA 0.141 63.095 63.100 -0.243 0.000 0.763 144 P CB 0.599 32.050 31.700 -0.415 0.000 0.810 145 E N 3.678 123.906 120.200 0.046 0.000 2.110 145 E HA -0.385 4.052 4.350 0.145 0.000 0.193 145 E C 2.263 178.919 176.600 0.094 0.000 0.988 145 E CA 3.554 60.011 56.400 0.095 0.000 0.804 145 E CB -0.393 29.339 29.700 0.053 0.000 0.745 145 E HN 0.557 8.922 8.360 0.008 0.000 0.458 146 Q N -2.567 117.268 119.800 0.059 0.000 2.172 146 Q HA -0.205 4.166 4.340 0.050 0.000 0.200 146 Q C 0.535 176.596 176.000 0.101 0.000 0.964 146 Q CA 2.488 58.326 55.803 0.059 0.000 0.855 146 Q CB -0.428 28.331 28.738 0.035 0.000 0.918 146 Q HN 0.261 8.524 8.270 0.030 0.025 0.444 147 D N -3.496 117.009 120.400 0.174 0.000 2.398 147 D HA 0.180 4.922 4.640 0.171 0.000 0.210 147 D C 0.438 176.959 176.300 0.367 0.000 1.094 147 D CA -0.364 53.798 54.000 0.270 0.000 0.839 147 D CB 0.587 41.652 40.800 0.442 0.000 0.963 147 D HN -0.600 7.868 8.370 0.163 0.000 0.506 148 R N 1.406 122.117 120.500 0.351 0.000 2.133 148 R HA -0.513 4.088 4.340 0.435 0.000 0.245 148 R C 1.141 177.439 176.300 -0.003 0.000 1.137 148 R CA 3.963 60.236 56.100 0.287 0.000 0.947 148 R CB -0.274 30.168 30.300 0.237 0.000 0.865 148 R HN -0.735 7.535 8.270 0.277 0.166 0.437 149 D N -3.235 117.140 120.400 -0.042 0.000 2.117 149 D HA -0.230 4.424 4.640 -0.222 -0.147 0.197 149 D C 2.120 178.312 176.300 -0.180 0.000 0.987 149 D CA 3.345 57.257 54.000 -0.147 0.000 0.829 149 D CB -0.763 39.971 40.800 -0.110 0.000 0.961 149 D HN 0.207 8.579 8.370 0.005 0.000 0.460 150 L N -0.749 120.380 121.223 -0.157 0.000 2.093 150 L HA -0.251 3.820 4.340 -0.447 0.000 0.208 150 L C 1.437 177.896 176.870 -0.686 0.000 1.085 150 L CA 2.738 57.322 54.840 -0.427 0.000 0.755 150 L CB -0.139 41.673 42.059 -0.411 0.000 0.904 150 L HN -0.527 7.580 8.230 -0.064 0.084 0.435 151 F N -1.701 118.042 119.950 -0.344 0.000 2.259 151 F HA -0.384 4.085 4.527 -0.096 0.000 0.298 151 F C 2.245 178.042 175.800 -0.005 0.000 1.088 151 F CA 4.310 62.252 58.000 -0.098 0.000 1.358 151 F CB -0.353 38.674 39.000 0.045 0.000 1.040 151 F HN -0.242 8.201 8.300 0.239 0.000 0.505 152 Q N -1.106 118.650 119.800 -0.073 0.000 2.119 152 Q HA -0.408 3.914 4.340 -0.029 0.000 0.201 152 Q C 2.345 178.295 176.000 -0.083 0.000 0.972 152 Q CA 3.090 58.785 55.803 -0.180 0.000 0.847 152 Q CB -0.213 28.222 28.738 -0.506 0.000 0.903 152 Q HN -0.005 8.163 8.270 -0.169 0.000 0.433 153 A N -0.075 122.645 122.820 -0.167 0.000 1.898 153 A HA -0.182 4.092 4.320 -0.076 0.000 0.216 153 A C 2.340 179.928 177.584 0.006 0.000 1.181 153 A CA 2.706 54.669 52.037 -0.123 0.000 0.620 153 A CB -0.568 18.310 19.000 -0.203 0.000 0.819 153 A HN -0.267 7.669 8.150 -0.234 0.074 0.442 154 F N -1.703 118.238 119.950 -0.014 0.000 2.161 154 F HA -0.337 4.192 4.527 0.002 0.000 0.300 154 F C 2.218 178.060 175.800 0.071 0.000 1.089 154 F CA 2.422 60.431 58.000 0.014 0.000 1.282 154 F CB -1.165 37.829 39.000 -0.010 0.000 1.010 154 F HN -0.112 8.006 8.300 -0.303 0.000 0.485 155 R N -5.087 115.589 120.500 0.294 0.000 2.236 155 R HA -0.167 4.320 4.340 0.245 0.000 0.208 155 R C 0.624 177.016 176.300 0.153 0.000 1.036 155 R CA 1.452 57.696 56.100 0.240 0.000 1.001 155 R CB 0.351 30.830 30.300 0.298 0.000 0.896 155 R HN -0.644 7.680 8.270 0.277 0.111 0.464 156 S N -0.958 114.808 115.700 0.110 0.000 2.661 156 S HA 0.061 4.568 4.470 0.063 0.000 0.265 156 S C 0.684 175.326 174.600 0.070 0.000 1.225 156 S CA -0.398 57.843 58.200 0.067 0.000 0.986 156 S CB 2.456 65.672 63.200 0.027 0.000 1.008 156 S HN -0.649 7.583 8.310 0.108 0.144 0.565 157 Q N -0.075 119.753 119.800 0.047 0.000 2.500 157 Q HA -0.139 4.230 4.340 0.049 0.000 0.213 157 Q C 2.172 178.198 176.000 0.044 0.000 0.974 157 Q CA 2.510 58.339 55.803 0.043 0.000 0.918 157 Q CB -0.757 27.999 28.738 0.030 0.000 0.980 157 Q HN 0.498 8.791 8.270 0.038 0.000 0.505 158 A N -0.327 122.519 122.820 0.043 0.000 2.070 158 A HA -0.216 4.124 4.320 0.034 0.000 0.220 158 A C 0.997 178.630 177.584 0.082 0.000 1.159 158 A CA 1.978 54.041 52.037 0.044 0.000 0.656 158 A CB -0.541 18.472 19.000 0.021 0.000 0.800 158 A HN -0.195 7.931 8.150 0.037 0.047 0.453 159 G N -3.076 105.793 108.800 0.116 0.000 2.432 159 G HA2 -0.358 3.760 3.960 0.263 0.000 0.219 159 G HA3 -0.358 3.842 3.960 0.178 -0.133 0.219 159 G C 1.078 176.037 174.900 0.098 0.000 1.135 159 G CA 1.993 47.195 45.100 0.170 0.000 0.767 159 G HN -0.142 8.151 8.290 0.104 0.060 0.550 160 E N 0.241 120.479 120.200 0.062 0.000 2.051 160 E HA -0.368 3.997 4.350 0.026 0.000 0.192 160 E C 1.992 178.615 176.600 0.038 0.000 0.991 160 E CA 3.854 60.277 56.400 0.037 0.000 0.799 160 E CB -0.584 29.133 29.700 0.028 0.000 0.748 160 E HN -0.313 8.084 8.360 0.062 0.000 0.449 161 E N -0.237 119.989 120.200 0.044 0.000 2.051 161 E HA -0.302 4.067 4.350 0.032 0.000 0.192 161 E C 2.196 178.828 176.600 0.053 0.000 0.991 161 E CA 2.945 59.368 56.400 0.040 0.000 0.799 161 E CB -0.352 29.368 29.700 0.033 0.000 0.748 161 E HN -0.574 7.814 8.360 0.046 0.000 0.449 162 L N -2.167 119.107 121.223 0.085 0.000 2.042 162 L HA -0.323 4.074 4.340 0.096 0.000 0.210 162 L C 2.349 179.284 176.870 0.107 0.000 1.076 162 L CA 3.287 58.202 54.840 0.124 0.000 0.749 162 L CB 0.095 42.292 42.059 0.231 0.000 0.893 162 L HN -0.358 7.926 8.230 0.091 0.000 0.432 163 V N -2.500 117.452 119.914 0.064 0.000 2.490 163 V HA -0.201 3.913 4.120 -0.009 0.000 0.238 163 V C 2.248 178.328 176.094 -0.023 0.000 1.056 163 V CA 3.062 65.351 62.300 -0.018 0.000 1.075 163 V CB -0.014 31.738 31.823 -0.119 0.000 0.746 163 V HN -0.012 8.204 8.190 0.071 0.017 0.479 164 L N -1.777 119.438 121.223 -0.013 0.000 2.093 164 L HA -0.298 4.031 4.340 -0.018 0.000 0.208 164 L C 2.627 179.503 176.870 0.011 0.000 1.085 164 L CA 3.142 57.979 54.840 -0.006 0.000 0.755 164 L CB -0.748 41.311 42.059 0.001 0.000 0.904 164 L HN -0.406 7.822 8.230 -0.005 0.000 0.435 165 Q N -0.620 119.191 119.800 0.019 0.000 2.178 165 Q HA -0.161 4.192 4.340 0.022 0.000 0.195 165 Q C 2.562 178.579 176.000 0.028 0.000 0.960 165 Q CA 3.021 58.838 55.803 0.023 0.000 0.843 165 Q CB 0.661 29.413 28.738 0.023 0.000 0.927 165 Q HN -0.476 7.795 8.270 0.021 0.011 0.487 166 D N -2.144 118.277 120.400 0.035 0.000 2.340 166 D HA 0.007 4.668 4.640 0.034 0.000 0.220 166 D C -0.263 176.062 176.300 0.043 0.000 1.039 166 D CA 0.503 54.527 54.000 0.039 0.000 0.866 166 D CB -0.127 40.699 40.800 0.044 0.000 0.913 166 D HN 0.048 8.441 8.370 0.038 0.000 0.523 167 N N -1.916 116.805 118.700 0.034 0.000 2.708 167 N HA -0.398 4.466 4.740 -0.001 -0.125 0.249 167 N C 0.660 176.200 175.510 0.050 0.000 1.097 167 N CA 1.090 54.157 53.050 0.028 0.000 0.710 167 N CB -1.074 37.439 38.487 0.044 0.000 1.032 167 N HN -0.420 7.833 8.380 0.027 0.143 0.551 168 V N -4.745 115.215 119.914 0.076 0.000 3.217 168 V HA -0.147 4.019 4.120 0.078 0.000 0.264 168 V C 0.124 176.286 176.094 0.114 0.000 1.135 168 V CA 2.138 64.498 62.300 0.100 0.000 1.142 168 V CB -1.058 30.839 31.823 0.125 0.000 0.754 168 V HN -0.551 7.687 8.190 0.081 0.000 0.484 169 F N 0.065 119.986 119.950 -0.048 0.000 2.084 169 F HA -0.350 4.197 4.527 0.033 0.000 0.296 169 F C 0.951 176.726 175.800 -0.041 0.000 1.111 169 F CA 4.171 62.122 58.000 -0.081 0.000 1.224 169 F CB 0.084 38.904 39.000 -0.299 0.000 0.991 169 F HN -0.101 8.242 8.300 0.110 0.023 0.471 170 V N -2.134 117.880 119.914 0.166 0.000 2.307 170 V HA -0.386 3.789 4.120 0.092 0.000 0.245 170 V C 1.476 177.611 176.094 0.069 0.000 1.045 170 V CA 3.486 65.846 62.300 0.100 0.000 1.024 170 V CB -0.537 31.350 31.823 0.107 0.000 0.651 170 V HN -0.155 8.104 8.190 0.115 0.000 0.449 171 E N -6.090 114.151 120.200 0.068 0.000 2.318 171 E HA -0.098 4.283 4.350 0.051 0.000 0.193 171 E C 0.111 176.737 176.600 0.043 0.000 0.998 171 E CA 1.018 57.450 56.400 0.053 0.000 0.859 171 E CB 0.589 30.320 29.700 0.051 0.000 0.812 171 E HN -0.447 7.958 8.360 0.075 0.000 0.492 172 Q N -2.150 117.678 119.800 0.047 0.000 2.620 172 Q HA 0.054 4.416 4.340 0.038 0.000 0.232 172 Q C 1.917 177.943 176.000 0.044 0.000 0.836 172 Q CA 1.751 57.578 55.803 0.040 0.000 0.938 172 Q CB 2.566 31.325 28.738 0.035 0.000 1.242 172 Q HN -0.367 7.936 8.270 0.056 0.000 0.624 173 V N 2.130 122.061 119.914 0.029 0.000 2.307 173 V HA -0.341 3.823 4.120 0.075 0.000 0.245 173 V C 2.447 178.645 176.094 0.173 0.000 1.045 173 V CA 3.901 66.230 62.300 0.047 0.000 1.024 173 V CB -0.355 31.325 31.823 -0.239 0.000 0.651 173 V HN -0.159 8.041 8.190 0.017 0.000 0.449 174 L N -0.820 120.457 121.223 0.091 0.000 1.955 174 L HA -0.171 3.995 4.340 -0.290 0.000 0.213 174 L C -0.648 176.166 176.870 -0.093 0.000 1.072 174 L CA 5.110 59.838 54.840 -0.187 0.000 0.755 174 L CB -2.735 39.085 42.059 -0.398 0.000 0.888 174 L HN -0.405 7.877 8.230 0.087 0.000 0.432 175 P HA -0.101 4.308 4.420 -0.017 0.000 0.221 175 P C 1.848 179.186 177.300 0.064 0.000 1.150 175 P CA 2.064 65.166 63.100 0.004 0.000 0.800 175 P CB -0.729 30.979 31.700 0.014 0.000 0.787 176 G N -1.187 107.666 108.800 0.087 0.000 2.509 176 G HA2 -0.126 3.880 3.960 0.078 0.000 0.218 176 G HA3 -0.126 3.954 3.960 0.097 -0.062 0.218 176 G C 0.233 175.217 174.900 0.141 0.000 1.124 176 G CA 1.138 46.298 45.100 0.100 0.000 0.776 176 G HN -0.320 7.995 8.290 0.080 0.023 0.547 177 L N -0.550 120.812 121.223 0.232 0.000 3.066 177 L HA 0.288 4.742 4.340 0.191 0.000 0.265 177 L C -1.653 175.405 176.870 0.312 0.000 1.232 177 L CA -1.244 53.771 54.840 0.292 0.000 1.031 177 L CB 0.488 42.805 42.059 0.430 0.000 1.379 177 L HN -0.851 7.366 8.230 0.251 0.163 0.563 178 I N -1.599 119.092 120.570 0.203 0.000 2.436 178 I HA 0.158 4.524 4.170 0.144 -0.110 0.289 178 I C -0.761 175.406 176.117 0.082 0.000 1.010 178 I CA -0.929 60.453 61.300 0.136 0.000 1.098 178 I CB 2.113 40.171 38.000 0.097 0.000 1.266 178 I HN -0.869 7.371 8.210 0.169 0.072 0.434 179 L N 4.757 126.015 121.223 0.059 0.000 2.056 179 L HA -0.132 4.233 4.340 0.041 0.000 0.207 179 L C 0.925 177.816 176.870 0.035 0.000 1.078 179 L CA 1.807 56.671 54.840 0.039 0.000 0.749 179 L CB 0.062 42.135 42.059 0.023 0.000 0.901 179 L HN 0.237 8.928 8.230 0.056 -0.428 0.433 180 R N -0.887 119.634 120.500 0.035 0.000 2.500 180 R HA 0.228 4.585 4.340 0.028 0.000 0.275 180 R C -2.014 174.309 176.300 0.039 0.000 1.051 180 R CA -2.722 53.398 56.100 0.032 0.000 1.088 180 R CB -0.526 29.792 30.300 0.029 0.000 1.063 180 R HN -0.634 7.924 8.270 0.036 -0.266 0.511 181 P HA 0.026 4.470 4.420 0.040 0.000 0.271 181 P C -0.909 176.419 177.300 0.047 0.000 1.216 181 P CA -0.200 62.923 63.100 0.038 0.000 0.771 181 P CB 0.435 32.154 31.700 0.032 0.000 0.864 182 L N 1.398 122.655 121.223 0.056 0.000 2.375 182 L HA 0.059 4.557 4.340 0.080 -0.111 0.271 182 L C 1.054 177.963 176.870 0.065 0.000 1.107 182 L CA -0.907 53.978 54.840 0.075 0.000 0.806 182 L CB 1.285 43.407 42.059 0.105 0.000 1.146 182 L HN -0.081 8.181 8.230 0.053 0.000 0.447 183 S N 1.305 117.045 115.700 0.067 0.000 2.608 183 S HA 0.048 4.544 4.470 0.043 0.000 0.261 183 S C 0.660 175.290 174.600 0.051 0.000 1.314 183 S CA -0.830 57.401 58.200 0.053 0.000 0.992 183 S CB 2.660 65.890 63.200 0.050 0.000 0.935 183 S HN 0.299 8.965 8.310 0.076 -0.310 0.564 184 E N 1.666 121.887 120.200 0.035 0.000 2.274 184 E HA -0.288 4.080 4.350 0.031 0.000 0.194 184 E C 1.289 177.898 176.600 0.014 0.000 0.996 184 E CA 2.969 59.384 56.400 0.026 0.000 0.840 184 E CB -0.670 29.041 29.700 0.017 0.000 0.772 184 E HN 0.677 9.055 8.360 0.031 0.000 0.491 185 A N -1.455 121.376 122.820 0.017 0.000 1.929 185 A HA -0.139 4.166 4.320 -0.025 0.000 0.216 185 A C 2.336 179.911 177.584 -0.014 0.000 1.176 185 A CA 2.809 54.845 52.037 -0.002 0.000 0.628 185 A CB -0.745 18.266 19.000 0.017 0.000 0.816 185 A HN 0.145 8.309 8.150 0.024 0.000 0.444 186 E N -0.641 119.593 120.200 0.057 0.000 2.031 186 E HA -0.293 4.136 4.350 0.133 0.000 0.193 186 E C 2.668 179.303 176.600 0.058 0.000 0.994 186 E CA 2.633 59.102 56.400 0.114 0.000 0.800 186 E CB -0.082 29.744 29.700 0.210 0.000 0.752 186 E HN -0.668 7.722 8.360 0.070 0.012 0.447 187 M N -1.328 118.333 119.600 0.102 0.000 2.159 187 M HA -0.383 4.237 4.480 0.234 0.000 0.263 187 M C 2.221 178.537 176.300 0.026 0.000 1.063 187 M CA 1.393 56.766 55.300 0.121 0.000 1.110 187 M CB -1.056 31.595 32.600 0.085 0.000 1.374 187 M HN -0.256 8.089 8.290 0.093 0.000 0.411 188 A N -0.740 122.054 122.820 -0.043 0.000 1.908 188 A HA -0.367 3.922 4.320 -0.050 0.000 0.218 188 A C 1.436 178.901 177.584 -0.199 0.000 1.181 188 A CA 3.196 55.180 52.037 -0.088 0.000 0.627 188 A CB -0.837 18.113 19.000 -0.084 0.000 0.818 188 A HN 0.436 8.556 8.150 -0.033 0.011 0.445 189 A N -1.932 120.652 122.820 -0.395 0.000 1.930 189 A HA -0.190 3.793 4.320 -0.562 0.000 0.217 189 A C 1.549 178.766 177.584 -0.611 0.000 1.175 189 A CA 2.585 54.177 52.037 -0.740 0.000 0.627 189 A CB -0.560 17.447 19.000 -1.654 0.000 0.815 189 A HN -0.622 7.278 8.150 -0.374 0.026 0.443 190 Y N -3.751 116.383 120.300 -0.276 0.000 2.337 190 Y HA -0.131 4.350 4.550 -0.115 0.000 0.293 190 Y C 1.746 177.631 175.900 -0.026 0.000 1.123 190 Y CA 3.021 61.053 58.100 -0.112 0.000 1.201 190 Y CB -0.165 38.265 38.460 -0.050 0.000 1.011 190 Y HN -0.861 7.232 8.280 -0.311 0.000 0.545 191 R N -1.437 119.121 120.500 0.097 0.000 2.115 191 R HA -0.345 4.105 4.340 0.183 0.000 0.226 191 R C 1.759 178.058 176.300 -0.003 0.000 1.100 191 R CA 2.495 58.652 56.100 0.095 0.000 0.980 191 R CB 0.148 30.483 30.300 0.057 0.000 0.875 191 R HN 0.024 8.242 8.270 0.051 0.083 0.445 192 E N 0.054 120.187 120.200 -0.111 0.000 2.086 192 E HA -0.182 4.099 4.350 -0.116 0.000 0.200 192 E C 0.011 176.470 176.600 -0.236 0.000 1.012 192 E CA 4.446 60.750 56.400 -0.160 0.000 0.812 192 E CB -1.897 27.689 29.700 -0.191 0.000 0.743 192 E HN -0.440 7.797 8.360 -0.129 0.046 0.453 193 P HA -0.057 4.094 4.420 -0.450 0.000 0.233 193 P C -0.525 176.341 177.300 -0.725 0.000 1.167 193 P CA 1.771 64.458 63.100 -0.689 0.000 0.770 193 P CB 0.135 31.151 31.700 -1.141 0.000 0.837 194 F N -5.323 114.610 119.950 -0.028 0.000 2.735 194 F HA 0.439 4.945 4.527 -0.035 0.000 0.308 194 F C 0.175 175.964 175.800 -0.018 0.000 1.112 194 F CA -2.390 55.594 58.000 -0.026 0.000 1.235 194 F CB -0.766 38.223 39.000 -0.019 0.000 1.027 194 F HN -0.027 7.933 8.300 -0.257 0.186 0.528 195 L N 0.395 121.657 121.223 0.066 0.000 2.042 195 L HA -0.319 4.056 4.340 0.058 0.000 0.210 195 L C 0.740 177.639 176.870 0.048 0.000 1.076 195 L CA 2.535 57.402 54.840 0.044 0.000 0.749 195 L CB -0.216 41.843 42.059 -0.001 0.000 0.893 195 L HN -0.929 7.299 8.230 -0.004 0.000 0.432 196 A N -1.981 120.865 122.820 0.043 0.000 2.409 196 A HA 0.016 4.352 4.320 0.027 0.000 0.262 196 A C -0.671 176.943 177.584 0.051 0.000 1.113 196 A CA -0.766 51.293 52.037 0.036 0.000 0.790 196 A CB 0.455 19.468 19.000 0.023 0.000 1.046 196 A HN -0.579 7.593 8.150 0.037 0.000 0.496 197 A N 3.855 126.697 122.820 0.037 0.000 2.466 197 A HA -0.089 4.352 4.320 0.038 -0.098 0.238 197 A C 0.226 177.828 177.584 0.031 0.000 1.074 197 A CA 0.262 52.319 52.037 0.034 0.000 0.774 197 A CB 0.488 19.503 19.000 0.025 0.000 1.015 197 A HN 0.124 8.293 8.150 0.031 0.000 0.498 198 G N 3.006 111.822 108.800 0.027 0.000 2.481 198 G HA2 -0.283 3.688 3.960 0.019 0.000 0.230 198 G HA3 -0.283 3.691 3.960 0.024 0.000 0.230 198 G C 0.817 175.734 174.900 0.028 0.000 1.210 198 G CA 0.041 45.156 45.100 0.024 0.000 0.936 198 G HN -0.130 8.174 8.290 0.024 0.000 0.583 199 E N 3.740 123.961 120.200 0.035 0.000 2.338 199 E HA -0.276 4.101 4.350 0.045 0.000 0.197 199 E C 1.748 178.389 176.600 0.069 0.000 1.007 199 E CA 2.178 58.610 56.400 0.052 0.000 0.849 199 E CB -0.464 29.272 29.700 0.061 0.000 0.774 199 E HN 0.451 8.830 8.360 0.032 0.000 0.506 200 A N -0.108 122.753 122.820 0.068 0.000 1.978 200 A HA -0.289 4.082 4.320 0.086 0.000 0.220 200 A C 1.276 178.958 177.584 0.162 0.000 1.170 200 A CA 2.740 54.835 52.037 0.096 0.000 0.636 200 A CB -0.511 18.540 19.000 0.086 0.000 0.810 200 A HN 0.379 8.529 8.150 0.057 0.034 0.448 201 R N -4.787 115.766 120.500 0.089 0.000 2.310 201 R HA -0.072 4.272 4.340 0.007 0.000 0.202 201 R C 1.797 177.978 176.300 -0.198 0.000 0.933 201 R CA 1.060 57.138 56.100 -0.038 0.000 1.054 201 R CB -0.102 30.161 30.300 -0.061 0.000 0.985 201 R HN -0.324 7.951 8.270 0.062 0.032 0.489 202 R N 1.320 121.741 120.500 -0.133 0.000 2.117 202 R HA -0.233 4.036 4.340 -0.118 0.000 0.243 202 R C -1.040 175.059 176.300 -0.334 0.000 1.143 202 R CA 4.271 60.281 56.100 -0.150 0.000 0.968 202 R CB -2.582 27.739 30.300 0.036 0.000 0.863 202 R HN -0.286 7.765 8.270 -0.059 0.183 0.444 203 P HA -0.201 3.796 4.420 -0.705 0.000 0.216 203 P C 0.911 177.977 177.300 -0.391 0.000 1.150 203 P CA 3.040 65.765 63.100 -0.625 0.000 0.837 203 P CB -0.555 30.828 31.700 -0.530 0.000 0.786 204 T N -6.497 107.773 114.554 -0.472 0.000 3.072 204 T HA -0.160 4.129 4.350 -0.469 -0.221 0.266 204 T C 0.721 175.160 174.700 -0.435 0.000 1.127 204 T CA 2.272 64.051 62.100 -0.534 0.000 1.107 204 T CB 0.094 68.503 68.868 -0.766 0.000 0.910 204 T HN -0.413 7.474 8.240 -0.552 0.022 0.513 205 L N 1.275 122.318 121.223 -0.299 0.000 2.286 205 L HA 0.169 4.358 4.340 -0.252 0.000 0.203 205 L C 0.991 177.805 176.870 -0.095 0.000 1.068 205 L CA 1.687 56.407 54.840 -0.198 0.000 0.811 205 L CB 1.088 43.065 42.059 -0.137 0.000 0.989 205 L HN -0.634 7.270 8.230 -0.299 0.147 0.467 206 S N 0.571 116.191 115.700 -0.133 0.000 2.382 206 S HA -0.387 4.052 4.470 -0.052 0.000 0.228 206 S C 1.853 176.395 174.600 -0.096 0.000 1.027 206 S CA 3.932 62.059 58.200 -0.122 0.000 0.991 206 S CB 0.029 63.120 63.200 -0.182 0.000 0.823 206 S HN -0.104 8.097 8.310 -0.182 0.000 0.469 207 W N 0.108 121.289 121.300 -0.198 0.000 2.333 207 W HA -0.159 4.165 4.660 -0.560 0.000 0.316 207 W C 0.311 176.876 176.519 0.077 0.000 1.215 207 W CA 3.344 60.499 57.345 -0.316 0.000 1.278 207 W CB -1.818 27.398 29.460 -0.406 0.000 1.154 207 W HN -0.529 7.566 8.180 -0.113 0.017 0.486 208 P HA -0.099 4.835 4.420 0.857 0.000 0.221 208 P C 0.922 178.527 177.300 0.507 0.000 1.150 208 P CA 2.277 65.773 63.100 0.660 0.000 0.800 208 P CB -0.710 31.387 31.700 0.661 0.000 0.787 209 R N -4.260 116.438 120.500 0.330 0.000 2.285 209 R HA -0.202 4.303 4.340 0.276 0.000 0.213 209 R C 1.756 178.204 176.300 0.246 0.000 1.068 209 R CA 2.058 58.309 56.100 0.252 0.000 1.004 209 R CB -0.583 29.811 30.300 0.156 0.000 0.873 209 R HN -0.855 7.549 8.270 0.267 0.025 0.467 210 Q N -3.839 116.144 119.800 0.304 0.000 2.354 210 Q HA -0.041 4.442 4.340 0.239 0.000 0.203 210 Q C 0.431 176.773 176.000 0.569 0.000 0.933 210 Q CA -0.302 55.697 55.803 0.327 0.000 0.901 210 Q CB 0.887 29.689 28.738 0.105 0.000 1.007 210 Q HN -0.508 7.792 8.270 0.335 0.172 0.495 211 I N 1.604 122.584 120.570 0.683 0.000 2.752 211 I HA -0.205 4.347 4.170 0.637 0.000 0.289 211 I C -1.668 174.578 176.117 0.215 0.000 1.197 211 I CA -0.409 61.200 61.300 0.515 0.000 1.432 211 I CB -0.298 37.903 38.000 0.334 0.000 1.359 211 I HN -0.906 7.684 8.210 0.633 0.000 0.571 212 P HA 0.229 4.796 4.420 0.033 -0.127 0.274 212 P C -1.636 175.603 177.300 -0.102 0.000 1.470 212 P CA -0.414 62.691 63.100 0.008 0.000 1.001 212 P CB -1.203 30.491 31.700 -0.009 0.000 1.332 213 I N 3.714 124.183 120.570 -0.167 0.000 2.499 213 I HA 0.453 4.630 4.170 -0.343 -0.213 0.288 213 I C -0.253 175.715 176.117 -0.248 0.000 1.048 213 I CA -1.244 59.835 61.300 -0.368 0.000 1.062 213 I CB 3.097 40.583 38.000 -0.856 0.000 1.238 213 I HN -0.006 8.141 8.210 -0.105 0.000 0.426 214 A N 6.232 128.935 122.820 -0.194 0.000 2.832 214 A HA -0.373 4.107 4.320 -0.037 -0.182 0.280 214 A C 0.353 177.930 177.584 -0.011 0.000 1.464 214 A CA 0.919 52.925 52.037 -0.052 0.000 0.804 214 A CB -1.638 17.402 19.000 0.066 0.000 1.020 214 A HN 0.978 9.001 8.150 -0.213 0.000 0.563 215 G N -5.685 103.094 108.800 -0.034 0.000 2.179 215 G HA2 -0.518 3.427 3.960 -0.026 0.000 0.260 215 G HA3 -0.518 3.440 3.960 -0.003 0.000 0.260 215 G C -1.298 173.606 174.900 0.007 0.000 0.977 215 G CA 0.254 45.346 45.100 -0.014 0.000 0.641 215 G HN 0.564 8.784 8.290 -0.062 0.033 0.533 216 T N 0.899 115.463 114.554 0.017 0.000 2.900 216 T HA 0.478 4.945 4.350 0.042 -0.092 0.295 216 T C -2.372 172.365 174.700 0.062 0.000 1.044 216 T CA -3.969 58.160 62.100 0.047 0.000 0.995 216 T CB 1.483 70.393 68.868 0.070 0.000 1.072 216 T HN -0.566 7.619 8.240 0.002 0.057 0.473 217 P HA 0.193 4.654 4.420 0.068 0.000 0.275 217 P C -0.500 176.830 177.300 0.049 0.000 1.227 217 P CA -0.341 62.803 63.100 0.073 0.000 0.781 217 P CB 1.335 33.090 31.700 0.091 0.000 0.906 218 A N 3.256 126.098 122.820 0.037 0.000 1.972 218 A HA -0.371 4.058 4.320 0.011 -0.103 0.219 218 A C 0.970 178.563 177.584 0.016 0.000 1.169 218 A CA 2.990 55.039 52.037 0.019 0.000 0.635 218 A CB -0.117 18.893 19.000 0.018 0.000 0.810 218 A HN 0.596 8.770 8.150 0.040 0.000 0.446 219 D N -3.457 116.962 120.400 0.031 0.000 2.144 219 D HA -0.287 4.368 4.640 0.025 0.000 0.200 219 D C 1.573 177.883 176.300 0.016 0.000 0.978 219 D CA 2.356 56.376 54.000 0.033 0.000 0.833 219 D CB -1.354 39.479 40.800 0.055 0.000 0.961 219 D HN 0.056 8.426 8.370 0.040 0.024 0.470 220 V N 0.412 120.339 119.914 0.020 0.000 2.488 220 V HA -0.322 3.737 4.120 -0.101 0.000 0.246 220 V C 2.027 178.087 176.094 -0.056 0.000 1.046 220 V CA 2.984 65.267 62.300 -0.027 0.000 1.053 220 V CB 0.092 31.956 31.823 0.069 0.000 0.679 220 V HN -0.920 7.297 8.190 0.046 0.000 0.458 221 V N 0.794 120.691 119.914 -0.028 0.000 2.282 221 V HA -0.548 3.524 4.120 -0.079 0.000 0.249 221 V C 1.782 177.817 176.094 -0.098 0.000 1.057 221 V CA 4.259 66.521 62.300 -0.064 0.000 1.032 221 V CB -1.254 30.543 31.823 -0.043 0.000 0.645 221 V HN -0.171 8.019 8.190 -0.000 0.000 0.447 222 A N -0.392 122.387 122.820 -0.069 0.000 1.902 222 A HA -0.320 3.957 4.320 -0.071 0.000 0.217 222 A C 2.207 179.732 177.584 -0.099 0.000 1.181 222 A CA 3.194 55.191 52.037 -0.067 0.000 0.623 222 A CB -0.799 18.183 19.000 -0.030 0.000 0.818 222 A HN -0.500 7.623 8.150 -0.045 0.000 0.443 223 I N -1.378 119.129 120.570 -0.105 0.000 2.179 223 I HA -0.550 3.595 4.170 -0.041 0.000 0.242 223 I C 1.604 177.510 176.117 -0.353 0.000 1.088 223 I CA 4.040 65.273 61.300 -0.111 0.000 1.357 223 I CB -0.106 37.850 38.000 -0.072 0.000 1.051 223 I HN -0.699 7.458 8.210 -0.088 0.000 0.409 224 A N -0.937 121.569 122.820 -0.523 0.000 1.930 224 A HA -0.342 2.528 4.320 -2.417 0.000 0.217 224 A C 1.533 178.708 177.584 -0.681 0.000 1.175 224 A CA 3.162 54.549 52.037 -1.082 0.000 0.627 224 A CB -0.683 18.002 19.000 -0.526 0.000 0.815 224 A HN -0.039 7.907 8.150 -0.341 0.000 0.443 225 R N -1.312 118.990 120.500 -0.331 0.000 2.091 225 R HA -0.409 3.823 4.340 -0.180 0.000 0.238 225 R C 1.878 178.097 176.300 -0.135 0.000 1.136 225 R CA 3.624 59.609 56.100 -0.191 0.000 0.959 225 R CB -0.149 30.075 30.300 -0.127 0.000 0.856 225 R HN -0.033 8.069 8.270 -0.280 0.000 0.437 226 D N -1.280 119.043 120.400 -0.130 0.000 2.097 226 D HA -0.219 4.425 4.640 0.007 0.000 0.197 226 D C 2.524 178.879 176.300 0.091 0.000 0.984 226 D CA 3.475 57.465 54.000 -0.017 0.000 0.826 226 D CB -0.270 40.528 40.800 -0.005 0.000 0.973 226 D HN -0.451 7.809 8.370 -0.168 0.009 0.460 227 Y N -2.278 118.098 120.300 0.128 0.000 2.373 227 Y HA -0.262 4.448 4.550 0.266 0.000 0.293 227 Y C 1.349 177.306 175.900 0.094 0.000 1.129 227 Y CA 0.448 58.665 58.100 0.194 0.000 1.226 227 Y CB -1.958 36.653 38.460 0.250 0.000 1.000 227 Y HN -0.375 7.805 8.280 -0.167 0.000 0.549 228 A N 1.832 124.781 122.820 0.215 0.000 1.877 228 A HA -0.312 4.219 4.320 0.353 0.000 0.216 228 A C 2.177 179.880 177.584 0.199 0.000 1.186 228 A CA 2.995 55.206 52.037 0.289 0.000 0.620 228 A CB -0.684 18.459 19.000 0.238 0.000 0.822 228 A HN 0.114 8.248 8.150 -0.028 0.000 0.443 229 G N -2.306 106.572 108.800 0.131 0.000 2.418 229 G HA2 -0.303 3.725 3.960 0.113 0.000 0.217 229 G HA3 -0.303 3.706 3.960 0.081 0.000 0.217 229 G C 0.438 175.361 174.900 0.037 0.000 1.158 229 G CA 1.348 46.504 45.100 0.094 0.000 0.771 229 G HN -0.449 7.900 8.290 0.098 0.000 0.545 230 W N 2.577 123.814 121.300 -0.104 0.000 2.378 230 W HA -0.288 4.298 4.660 -0.124 0.000 0.313 230 W C 1.799 178.136 176.519 -0.302 0.000 1.197 230 W CA 3.397 60.651 57.345 -0.152 0.000 1.304 230 W CB 0.122 29.527 29.460 -0.092 0.000 1.148 230 W HN -0.686 7.631 8.180 0.254 0.015 0.494 231 L N -2.590 118.129 121.223 -0.841 0.000 2.079 231 L HA -0.527 2.747 4.340 -1.778 0.000 0.210 231 L C 2.441 178.449 176.870 -1.437 0.000 1.081 231 L CA 3.032 56.961 54.840 -1.519 0.000 0.752 231 L CB -0.316 40.570 42.059 -1.954 0.000 0.896 231 L HN -0.004 7.986 8.230 -0.400 0.000 0.433 232 S N -3.309 111.768 115.700 -1.038 0.000 2.507 232 S HA -0.183 3.721 4.470 -0.943 0.000 0.235 232 S C 1.012 175.371 174.600 -0.401 0.000 0.988 232 S CA 2.379 60.165 58.200 -0.691 0.000 0.944 232 S CB -0.113 62.981 63.200 -0.175 0.000 0.762 232 S HN -0.421 7.409 8.310 -0.761 0.023 0.526 233 E N -1.767 118.167 120.200 -0.443 0.000 2.490 233 E HA 0.213 4.433 4.350 -0.217 0.000 0.209 233 E C -0.174 176.210 176.600 -0.361 0.000 0.971 233 E CA -0.825 55.396 56.400 -0.298 0.000 0.988 233 E CB 1.141 30.734 29.700 -0.179 0.000 1.029 233 E HN -0.539 7.315 8.360 -0.561 0.169 0.496 234 S N 2.223 117.553 115.700 -0.618 0.000 2.531 234 S HA -0.054 4.145 4.470 -0.451 0.000 0.279 234 S C -0.541 173.857 174.600 -0.337 0.000 1.305 234 S CA -1.962 55.875 58.200 -0.605 0.000 1.058 234 S CB 0.626 63.137 63.200 -1.147 0.000 0.899 234 S HN -0.735 6.999 8.310 -0.771 0.113 0.493 235 P HA -0.033 4.332 4.420 -0.092 0.000 0.242 235 P C -0.909 176.352 177.300 -0.065 0.000 1.197 235 P CA -0.069 62.974 63.100 -0.095 0.000 0.765 235 P CB 0.038 31.710 31.700 -0.046 0.000 0.936 236 I N 0.809 121.328 120.570 -0.085 0.000 2.710 236 I HA -0.169 4.016 4.170 0.024 0.000 0.286 236 I C -2.058 174.083 176.117 0.040 0.000 1.181 236 I CA -0.855 60.443 61.300 -0.004 0.000 1.430 236 I CB -0.223 37.793 38.000 0.026 0.000 1.367 236 I HN -0.698 7.341 8.210 -0.156 0.077 0.577 237 P HA 0.236 4.936 4.420 0.177 -0.173 0.266 237 P C -1.069 176.456 177.300 0.374 0.000 1.195 237 P CA -0.160 63.070 63.100 0.216 0.000 0.768 237 P CB 0.332 32.149 31.700 0.195 0.000 0.838 238 K N -0.079 120.517 120.400 0.325 0.000 2.426 238 K HA 0.844 5.560 4.320 0.319 -0.205 0.251 238 K C -1.726 174.806 176.600 -0.114 0.000 0.941 238 K CA -1.454 54.975 56.287 0.237 0.000 0.808 238 K CB 4.899 37.578 32.500 0.298 0.000 1.265 238 K HN 0.186 8.598 8.250 0.269 0.000 0.432 239 L N 3.151 124.122 121.223 -0.420 0.000 2.372 239 L HA 0.753 5.186 4.340 -0.444 -0.360 0.273 239 L C -2.580 174.062 176.870 -0.380 0.000 0.989 239 L CA -1.203 53.283 54.840 -0.590 0.000 0.841 239 L CB 3.551 44.916 42.059 -1.156 0.000 1.225 239 L HN 0.445 8.520 8.230 -0.258 0.000 0.414 240 F N 9.254 128.879 119.950 -0.542 0.000 2.371 240 F HA 0.515 4.288 4.527 -1.467 -0.126 0.363 240 F C -2.067 173.426 175.800 -0.511 0.000 1.122 240 F CA -3.773 53.726 58.000 -0.835 0.000 1.129 240 F CB 1.215 39.873 39.000 -0.570 0.000 1.173 240 F HN 0.622 8.840 8.300 -0.137 0.000 0.489 241 I N 9.254 129.541 120.570 -0.472 0.000 2.256 241 I HA 0.017 4.018 4.170 -0.487 -0.123 0.294 241 I C -1.388 174.371 176.117 -0.596 0.000 1.127 241 I CA -0.642 60.385 61.300 -0.455 0.000 1.247 241 I CB -0.780 37.082 38.000 -0.231 0.000 1.460 241 I HN 0.297 8.275 8.210 -0.387 0.000 0.511 242 N N 6.630 124.728 118.700 -1.003 0.000 2.467 242 N HA 0.018 4.295 4.740 -0.771 0.000 0.262 242 N C -2.046 173.240 175.510 -0.374 0.000 1.234 242 N CA -0.384 52.144 53.050 -0.871 0.000 0.952 242 N CB 2.175 40.031 38.487 -1.051 0.000 1.158 242 N HN -0.093 7.662 8.380 -1.042 0.000 0.463 243 A N -0.461 122.228 122.820 -0.219 0.000 2.435 243 A HA 0.855 5.313 4.320 -0.150 -0.228 0.304 243 A C -2.501 175.025 177.584 -0.097 0.000 1.064 243 A CA -1.966 49.990 52.037 -0.136 0.000 0.727 243 A CB 3.924 22.869 19.000 -0.091 0.000 1.284 243 A HN 0.422 8.460 8.150 -0.186 0.000 0.415 244 E N 0.047 120.197 120.200 -0.083 0.000 2.191 244 E HA 0.555 4.873 4.350 -0.054 0.000 0.263 244 E C -1.372 175.203 176.600 -0.043 0.000 0.881 244 E CA -3.738 52.627 56.400 -0.059 0.000 0.757 244 E CB 2.226 31.892 29.700 -0.057 0.000 1.147 244 E HN 0.092 8.400 8.360 -0.088 0.000 0.414 245 P HA -0.074 4.326 4.420 -0.032 0.000 0.233 245 P C -0.176 177.103 177.300 -0.035 0.000 1.167 245 P CA 0.060 63.142 63.100 -0.031 0.000 0.770 245 P CB 0.642 32.328 31.700 -0.022 0.000 0.837 246 G N -1.489 107.290 108.800 -0.035 0.000 2.752 246 G HA2 -0.410 3.695 3.960 -0.026 0.000 0.234 246 G HA3 -0.410 3.533 3.960 -0.028 0.000 0.234 246 G C -1.381 173.496 174.900 -0.038 0.000 1.367 246 G CA -0.080 45.002 45.100 -0.030 0.000 0.879 246 G HN -0.209 7.926 8.290 -0.035 0.134 0.563 247 A N -1.075 121.715 122.820 -0.051 0.000 1.674 247 A HA 0.158 4.391 4.320 -0.144 0.000 0.144 247 A C -0.131 177.325 177.584 -0.213 0.000 1.502 247 A CA 1.045 53.002 52.037 -0.135 0.000 1.644 247 A CB 0.727 19.644 19.000 -0.138 0.000 1.505 247 A HN -0.117 8.291 8.150 -0.030 -0.276 1.092 248 L N -2.797 118.307 121.223 -0.198 0.000 2.049 248 L HA -0.124 4.001 4.340 -0.359 0.000 0.203 248 L C 1.008 177.816 176.870 -0.105 0.000 1.074 248 L CA 2.257 56.958 54.840 -0.233 0.000 0.749 248 L CB 0.756 42.692 42.059 -0.205 0.000 0.907 248 L HN -0.154 8.412 8.230 -0.106 -0.399 0.439 249 T N 0.724 115.271 114.554 -0.012 0.000 3.766 249 T HA 0.026 4.385 4.350 0.016 0.000 0.327 249 T C -1.532 173.205 174.700 0.062 0.000 1.595 249 T CA 0.105 62.235 62.100 0.050 0.000 1.204 249 T CB -1.269 67.693 68.868 0.156 0.000 1.245 249 T HN -0.605 7.897 8.240 0.009 -0.257 0.875 250 T N -2.292 112.264 114.554 0.002 0.000 2.804 250 T HA 0.289 4.653 4.350 0.024 0.000 0.290 250 T C 0.226 174.920 174.700 -0.009 0.000 1.099 250 T CA -2.584 59.516 62.100 -0.001 0.000 1.011 250 T CB 2.499 71.348 68.868 -0.031 0.000 1.291 250 T HN -0.602 7.498 8.240 -0.025 0.125 0.523 251 G N 0.608 109.404 108.800 -0.006 0.000 2.634 251 G HA2 -0.470 3.488 3.960 -0.003 0.000 0.309 251 G HA3 -0.470 3.483 3.960 -0.011 0.000 0.309 251 G C 0.194 175.092 174.900 -0.002 0.000 1.265 251 G CA 1.349 46.445 45.100 -0.006 0.000 0.998 251 G HN 0.188 8.476 8.290 -0.004 0.000 0.551 252 R N 1.914 122.411 120.500 -0.005 0.000 2.105 252 R HA -0.366 3.978 4.340 0.006 0.000 0.239 252 R C 2.088 178.396 176.300 0.013 0.000 1.135 252 R CA 2.733 58.833 56.100 -0.001 0.000 0.967 252 R CB -0.149 30.141 30.300 -0.016 0.000 0.861 252 R HN 0.320 8.585 8.270 -0.008 0.000 0.442 253 M N -1.320 118.281 119.600 0.001 0.000 2.117 253 M HA -0.305 4.217 4.480 0.068 0.000 0.262 253 M C 1.387 177.671 176.300 -0.026 0.000 1.065 253 M CA 3.702 59.015 55.300 0.022 0.000 1.114 253 M CB -0.118 32.483 32.600 0.002 0.000 1.361 253 M HN -0.450 7.833 8.290 -0.012 0.000 0.408 254 R N -0.803 119.676 120.500 -0.034 0.000 2.081 254 R HA -0.420 3.832 4.340 -0.146 0.000 0.235 254 R C 1.945 178.188 176.300 -0.095 0.000 1.131 254 R CA 3.863 59.930 56.100 -0.055 0.000 0.960 254 R CB -0.365 29.976 30.300 0.069 0.000 0.856 254 R HN -0.675 7.488 8.270 -0.011 0.100 0.436 255 D N -0.674 119.710 120.400 -0.027 0.000 2.123 255 D HA -0.317 4.308 4.640 -0.026 0.000 0.196 255 D C 2.260 178.539 176.300 -0.034 0.000 0.992 255 D CA 3.299 57.288 54.000 -0.018 0.000 0.833 255 D CB -0.551 40.260 40.800 0.019 0.000 0.954 255 D HN -0.371 7.996 8.370 -0.006 0.000 0.455 256 F N 1.014 120.854 119.950 -0.184 0.000 2.075 256 F HA -0.334 4.126 4.527 -0.111 0.000 0.297 256 F C 2.005 177.503 175.800 -0.502 0.000 1.113 256 F CA 2.998 60.878 58.000 -0.200 0.000 1.218 256 F CB 0.020 38.954 39.000 -0.110 0.000 0.984 256 F HN -0.453 7.918 8.300 0.118 0.000 0.472 257 C N -0.393 118.319 119.300 -0.980 0.000 2.413 257 C HA -0.398 2.124 4.460 -3.229 0.000 0.277 257 C C 2.337 176.635 174.990 -1.153 0.000 1.265 257 C CA 3.562 61.483 59.018 -1.829 0.000 1.752 257 C CB -2.248 24.532 27.740 -1.600 0.000 1.998 257 C HN 0.045 7.923 8.230 -0.587 0.000 0.489 258 R N -3.687 116.466 120.500 -0.578 0.000 2.285 258 R HA -0.176 4.047 4.340 -0.195 0.000 0.213 258 R C 1.233 177.425 176.300 -0.179 0.000 1.068 258 R CA 2.025 57.976 56.100 -0.248 0.000 1.004 258 R CB -0.259 29.990 30.300 -0.084 0.000 0.873 258 R HN -0.370 7.587 8.270 -0.493 0.017 0.467 259 T N -5.204 109.209 114.554 -0.235 0.000 3.100 259 T HA -0.008 4.320 4.350 -0.037 0.000 0.253 259 T C 0.760 175.476 174.700 0.027 0.000 1.118 259 T CA 0.199 62.255 62.100 -0.073 0.000 1.058 259 T CB 0.686 69.550 68.868 -0.006 0.000 0.953 259 T HN -0.513 7.336 8.240 -0.373 0.167 0.515 260 W N 3.283 124.404 121.300 -0.298 0.000 2.190 260 W HA 0.142 4.595 4.660 -0.344 0.000 0.330 260 W C -1.645 174.763 176.519 -0.185 0.000 1.299 260 W CA -3.024 54.136 57.345 -0.308 0.000 1.215 260 W CB -1.643 27.591 29.460 -0.376 0.000 1.147 260 W HN -0.689 7.344 8.180 -0.149 0.058 0.563 261 P HA 0.029 4.455 4.420 0.011 0.000 0.276 261 P C -1.228 176.080 177.300 0.013 0.000 1.252 261 P CA -0.930 62.166 63.100 -0.006 0.000 0.802 261 P CB 1.076 32.740 31.700 -0.060 0.000 1.035 262 N N -1.695 117.019 118.700 0.022 0.000 2.725 262 N HA -0.479 4.287 4.740 0.043 0.000 0.251 262 N C -1.987 173.575 175.510 0.086 0.000 1.031 262 N CA 1.059 54.136 53.050 0.044 0.000 0.720 262 N CB -0.900 37.605 38.487 0.030 0.000 0.930 262 N HN 0.369 8.758 8.380 0.016 0.000 0.543 263 Q N -2.720 117.129 119.800 0.082 0.000 2.365 263 Q HA 0.661 5.276 4.340 0.108 -0.210 0.269 263 Q C -0.635 175.399 176.000 0.056 0.000 1.061 263 Q CA -1.617 54.243 55.803 0.095 0.000 0.816 263 Q CB 3.739 32.558 28.738 0.134 0.000 1.325 263 Q HN -0.186 8.124 8.270 0.065 0.000 0.446 264 T N 2.775 117.339 114.554 0.017 0.000 2.908 264 T HA 0.442 4.792 4.350 -0.001 0.000 0.290 264 T C -1.717 172.941 174.700 -0.071 0.000 1.034 264 T CA -1.509 60.580 62.100 -0.019 0.000 1.010 264 T CB 2.444 71.304 68.868 -0.014 0.000 1.068 264 T HN 0.504 8.741 8.240 -0.005 0.000 0.481 265 E N 4.100 124.249 120.200 -0.085 0.000 2.293 265 E HA 0.979 5.417 4.350 -0.216 -0.218 0.270 265 E C -1.284 175.194 176.600 -0.204 0.000 0.879 265 E CA -2.075 54.224 56.400 -0.168 0.000 0.756 265 E CB 3.222 32.853 29.700 -0.114 0.000 1.208 265 E HN 0.198 8.516 8.360 -0.070 0.000 0.428 266 I N -0.387 120.008 120.570 -0.291 0.000 3.042 266 I HA 0.629 4.681 4.170 -0.196 0.000 0.310 266 I C -1.969 173.951 176.117 -0.328 0.000 1.117 266 I CA -1.874 59.279 61.300 -0.244 0.000 1.003 266 I CB 4.126 42.011 38.000 -0.191 0.000 1.228 266 I HN 0.176 8.164 8.210 -0.369 0.000 0.443 267 T N 4.679 119.085 114.554 -0.246 0.000 2.824 267 T HA 0.559 4.942 4.350 -0.310 -0.219 0.282 267 T C -0.845 173.750 174.700 -0.174 0.000 0.993 267 T CA -1.135 60.820 62.100 -0.242 0.000 0.967 267 T CB 1.063 69.811 68.868 -0.199 0.000 0.960 267 T HN -0.004 8.119 8.240 -0.195 0.000 0.441 268 V N 0.454 120.267 119.914 -0.168 0.000 3.046 268 V HA 0.741 4.797 4.120 -0.107 0.000 0.316 268 V C -2.236 173.799 176.094 -0.100 0.000 1.104 268 V CA -3.638 58.589 62.300 -0.122 0.000 1.006 268 V CB 3.665 35.417 31.823 -0.118 0.000 1.058 268 V HN 0.679 8.752 8.190 -0.196 0.000 0.440 269 A N 1.112 123.888 122.820 -0.073 0.000 2.450 269 A HA 0.422 5.062 4.320 -0.056 -0.354 0.255 269 A C -0.290 177.263 177.584 -0.051 0.000 1.096 269 A CA -0.031 51.973 52.037 -0.055 0.000 0.778 269 A CB 0.388 19.365 19.000 -0.039 0.000 1.031 269 A HN 0.221 8.330 8.150 -0.069 0.000 0.494 270 G N 1.292 110.067 108.800 -0.042 0.000 2.340 270 G HA2 -0.021 3.930 3.960 -0.015 0.000 0.300 270 G HA3 -0.021 3.913 3.960 -0.045 0.000 0.300 270 G C -2.714 172.173 174.900 -0.022 0.000 1.488 270 G CA 0.313 45.395 45.100 -0.031 0.000 0.878 270 G HN -0.061 8.204 8.290 -0.041 0.000 0.618 271 A N 0.653 123.476 122.820 0.004 0.000 2.930 271 A HA 0.315 4.757 4.320 -0.000 -0.122 0.213 271 A C -0.467 177.129 177.584 0.020 0.000 2.276 271 A CA 0.663 52.710 52.037 0.017 0.000 1.182 271 A CB 1.193 20.223 19.000 0.050 0.000 1.301 271 A HN 0.537 8.697 8.150 0.018 0.000 0.481 272 H N 0.621 119.634 119.070 -0.095 0.000 2.393 272 H HA 0.107 4.708 4.556 -0.183 -0.156 0.307 272 H C 1.587 176.755 175.328 -0.266 0.000 1.038 272 H CA 1.074 56.974 56.048 -0.248 0.000 1.351 272 H CB 2.422 31.899 29.762 -0.475 0.000 1.464 272 H HN -0.597 7.749 8.280 0.110 0.000 0.575 273 F N 1.106 121.036 119.950 -0.033 0.000 2.660 273 F HA 0.233 4.636 4.527 -0.353 -0.088 0.342 273 F C 0.774 176.441 175.800 -0.221 0.000 1.195 273 F CA -0.705 57.183 58.000 -0.188 0.000 1.300 273 F CB -2.084 36.867 39.000 -0.082 0.000 1.616 273 F HN -0.525 7.828 8.300 0.088 0.000 0.592 274 I N -2.947 117.507 120.570 -0.194 0.000 2.756 274 I HA -0.265 3.862 4.170 -0.072 0.000 0.262 274 I C 0.778 176.813 176.117 -0.136 0.000 1.225 274 I CA 2.428 63.648 61.300 -0.134 0.000 1.472 274 I CB 0.079 37.992 38.000 -0.144 0.000 1.094 274 I HN -0.722 7.248 8.210 -0.316 0.050 0.454 275 Q N -1.735 117.933 119.800 -0.220 0.000 2.234 275 Q HA -0.301 3.950 4.340 -0.147 0.000 0.206 275 Q C 1.586 177.527 176.000 -0.097 0.000 0.980 275 Q CA 3.243 58.933 55.803 -0.189 0.000 0.869 275 Q CB -1.093 27.431 28.738 -0.356 0.000 0.912 275 Q HN 0.342 8.375 8.270 -0.326 0.041 0.436 276 E N -4.834 115.337 120.200 -0.048 0.000 2.371 276 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 276 E C 0.509 177.111 176.600 0.003 0.000 1.012 276 E CA 1.037 57.439 56.400 0.003 0.000 0.860 276 E CB 0.169 29.901 29.700 0.054 0.000 0.811 276 E HN -0.666 7.635 8.360 -0.045 0.031 0.502 277 D N -0.736 119.657 120.400 -0.011 0.000 2.338 277 D HA 0.101 4.743 4.640 0.002 0.000 0.224 277 D C 1.035 177.322 176.300 -0.022 0.000 0.967 277 D CA 2.467 56.462 54.000 -0.009 0.000 0.896 277 D CB 1.394 42.189 40.800 -0.009 0.000 1.028 277 D HN -0.515 7.683 8.370 -0.025 0.157 0.493 278 S N -1.194 114.482 115.700 -0.041 0.000 2.422 278 S HA 0.690 5.209 4.470 -0.036 -0.071 0.226 278 S C -1.474 173.092 174.600 -0.058 0.000 1.242 278 S CA -1.972 56.200 58.200 -0.048 0.000 1.231 278 S CB 0.579 63.742 63.200 -0.062 0.000 1.067 278 S HN -0.177 8.103 8.310 -0.050 0.000 0.462 279 P HA -0.175 4.213 4.420 -0.053 0.000 0.216 279 P C 0.759 178.004 177.300 -0.092 0.000 1.153 279 P CA 2.286 65.359 63.100 -0.046 0.000 0.848 279 P CB 0.048 31.740 31.700 -0.015 0.000 0.787 280 D N -2.089 118.285 120.400 -0.043 0.000 2.149 280 D HA -0.147 4.422 4.640 -0.118 0.000 0.201 280 D C 2.500 178.669 176.300 -0.219 0.000 0.972 280 D CA 3.171 57.131 54.000 -0.067 0.000 0.835 280 D CB -0.933 39.938 40.800 0.118 0.000 0.966 280 D HN 0.337 8.702 8.370 -0.009 0.000 0.476 281 E N 0.451 120.577 120.200 -0.124 0.000 2.077 281 E HA -0.222 4.067 4.350 -0.102 0.000 0.193 281 E C 2.373 178.880 176.600 -0.156 0.000 0.989 281 E CA 2.917 59.247 56.400 -0.118 0.000 0.800 281 E CB -0.418 29.231 29.700 -0.086 0.000 0.746 281 E HN 0.218 8.526 8.360 -0.086 0.000 0.452 282 I N -0.492 119.987 120.570 -0.152 0.000 2.142 282 I HA -0.514 3.591 4.170 -0.107 0.000 0.240 282 I C 1.996 178.023 176.117 -0.150 0.000 1.078 282 I CA 3.867 65.096 61.300 -0.117 0.000 1.343 282 I CB -0.291 37.679 38.000 -0.051 0.000 1.046 282 I HN -0.395 7.733 8.210 -0.137 0.000 0.405 283 G N -1.948 106.658 108.800 -0.323 0.000 2.440 283 G HA2 -0.397 3.482 3.960 -0.135 0.000 0.218 283 G HA3 -0.397 3.039 3.960 -0.874 0.000 0.218 283 G C 0.581 175.265 174.900 -0.360 0.000 1.154 283 G CA 2.103 46.934 45.100 -0.449 0.000 0.767 283 G HN 0.042 8.115 8.290 -0.362 0.000 0.552 284 A N 2.053 124.613 122.820 -0.433 0.000 1.933 284 A HA -0.243 4.115 4.320 0.064 0.000 0.218 284 A C 1.713 179.282 177.584 -0.025 0.000 1.175 284 A CA 2.777 54.765 52.037 -0.081 0.000 0.628 284 A CB -0.603 18.378 19.000 -0.032 0.000 0.814 284 A HN -0.122 7.684 8.150 -0.573 0.000 0.444 285 A N -1.249 121.533 122.820 -0.063 0.000 1.902 285 A HA -0.293 4.015 4.320 -0.019 0.000 0.217 285 A C 2.019 179.615 177.584 0.020 0.000 1.181 285 A CA 2.910 54.925 52.037 -0.037 0.000 0.623 285 A CB -0.738 18.209 19.000 -0.089 0.000 0.818 285 A HN -0.573 7.514 8.150 -0.106 0.000 0.443 286 I N -1.392 119.194 120.570 0.027 0.000 2.179 286 I HA -0.598 3.657 4.170 0.141 0.000 0.242 286 I C 1.664 177.877 176.117 0.160 0.000 1.088 286 I CA 4.116 65.484 61.300 0.112 0.000 1.357 286 I CB -0.280 37.783 38.000 0.105 0.000 1.051 286 I HN -0.357 7.847 8.210 -0.009 0.000 0.409 287 A N -0.683 122.211 122.820 0.123 0.000 1.908 287 A HA -0.346 4.045 4.320 0.118 0.000 0.218 287 A C 1.668 179.312 177.584 0.100 0.000 1.181 287 A CA 3.027 55.136 52.037 0.120 0.000 0.627 287 A CB -0.837 18.248 19.000 0.142 0.000 0.818 287 A HN -0.010 8.199 8.150 0.099 0.000 0.445 288 A N -1.056 121.824 122.820 0.100 0.000 1.877 288 A HA -0.260 4.096 4.320 0.061 0.000 0.216 288 A C 1.664 179.325 177.584 0.128 0.000 1.186 288 A CA 2.848 54.937 52.037 0.086 0.000 0.620 288 A CB -0.786 18.254 19.000 0.067 0.000 0.822 288 A HN -0.376 7.830 8.150 0.093 0.000 0.443 289 F N -0.119 119.823 119.950 -0.013 0.000 2.065 289 F HA -0.417 4.102 4.527 -0.012 0.000 0.298 289 F C 1.482 177.272 175.800 -0.016 0.000 1.112 289 F CA 3.069 61.061 58.000 -0.014 0.000 1.212 289 F CB 0.147 39.138 39.000 -0.014 0.000 0.975 289 F HN -0.502 7.964 8.300 0.278 0.000 0.476 290 V N -1.320 118.572 119.914 -0.036 0.000 2.407 290 V HA -0.553 3.374 4.120 -0.321 0.000 0.248 290 V C 2.298 178.319 176.094 -0.122 0.000 1.055 290 V CA 4.012 66.216 62.300 -0.159 0.000 1.049 290 V CB -0.934 30.853 31.823 -0.060 0.000 0.662 290 V HN 0.007 8.268 8.190 0.118 0.000 0.455 291 R N -1.960 118.506 120.500 -0.056 0.000 2.127 291 R HA -0.344 3.946 4.340 -0.084 0.000 0.238 291 R C 2.192 178.432 176.300 -0.099 0.000 1.134 291 R CA 3.602 59.659 56.100 -0.071 0.000 0.975 291 R CB -0.334 29.942 30.300 -0.040 0.000 0.865 291 R HN -0.164 8.098 8.270 -0.014 0.000 0.447 292 R N -0.804 119.644 120.500 -0.086 0.000 2.153 292 R HA -0.168 4.125 4.340 -0.078 0.000 0.218 292 R C 1.961 178.188 176.300 -0.121 0.000 1.072 292 R CA 2.485 58.536 56.100 -0.082 0.000 0.990 292 R CB -0.149 30.137 30.300 -0.024 0.000 0.889 292 R HN -0.583 7.622 8.270 -0.068 0.024 0.452 293 L N -4.709 116.393 121.223 -0.200 0.000 2.341 293 L HA -0.110 4.124 4.340 -0.178 0.000 0.214 293 L C -0.080 176.706 176.870 -0.140 0.000 1.115 293 L CA 1.394 56.106 54.840 -0.213 0.000 0.820 293 L CB 0.621 42.465 42.059 -0.359 0.000 0.944 293 L HN -0.665 7.340 8.230 -0.244 0.078 0.452 294 R N -3.064 117.360 120.500 -0.127 0.000 2.748 294 R HA 0.408 4.702 4.340 -0.076 0.000 0.283 294 R C -2.853 173.384 176.300 -0.104 0.000 1.507 294 R CA -3.090 52.954 56.100 -0.095 0.000 1.666 294 R CB 0.192 30.439 30.300 -0.087 0.000 1.237 294 R HN -0.728 7.370 8.270 -0.138 0.089 0.633 295 P HA 0.036 4.433 4.420 -0.225 -0.112 0.266 295 P C -0.054 177.152 177.300 -0.157 0.000 1.215 295 P CA -0.056 62.943 63.100 -0.168 0.000 0.763 295 P CB 0.429 32.063 31.700 -0.111 0.000 0.806 296 A N 5.692 128.325 122.820 -0.312 0.000 2.044 296 A HA -0.111 4.089 4.320 -0.199 0.000 0.213 296 A C -0.603 176.861 177.584 -0.200 0.000 1.169 296 A CA 0.179 52.007 52.037 -0.348 0.000 0.724 296 A CB 0.252 18.719 19.000 -0.889 0.000 0.840 296 A HN 0.442 8.367 8.150 -0.375 0.000 0.463 297 H N -2.108 116.853 119.070 -0.180 0.000 2.626 297 H HA -0.239 4.288 4.556 -0.048 0.000 0.317 297 H C -1.104 174.233 175.328 0.015 0.000 1.140 297 H CA 0.458 56.466 56.048 -0.066 0.000 1.134 297 H CB -1.435 28.308 29.762 -0.031 0.000 1.486 297 H HN -0.015 7.917 8.280 -0.580 0.000 0.417 298 H N -0.520 118.578 119.070 0.046 0.000 3.001 298 H HA -0.130 4.453 4.556 0.043 0.000 0.334 298 H C 0.856 176.210 175.328 0.044 0.000 1.034 298 H CA 0.636 56.706 56.048 0.036 0.000 1.420 298 H CB 0.559 30.327 29.762 0.011 0.000 1.405 298 H HN -0.011 8.185 8.280 -0.119 0.013 0.593 299 H N 0.000 119.164 119.070 0.157 0.000 2.539 299 H HA 0.000 nan 4.556 nan 0.000 0.296 299 H CA 0.000 nan 56.048 nan 0.000 1.023 299 H CB 0.000 nan 29.762 nan 0.000 1.292 299 H HN 0.000 8.350 8.280 0.116 0.000 0.496