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 2rht_1_A DATA FIRST_RESID 4 DATA SEQUENCE LTESSTSKFV KINEKGFSDF NIHYNEAGNG ETVIMLHGGG PGAGGWSNYY DATA SEQUENCE RNVGPFVDAG YRVILKDSPG FNKSDAVVMD EQRGLVNARA VKGLMDALDI DATA SEQUENCE DRAHLVGNAM GGATALNFAL EYPDRIGKLI LMGPGGLGPS MFAPMPMEGI DATA SEQUENCE KLLFKLYAEP SYETLKQMLQ VFLYDQSLIT EELLQGRWEA IQRQPEHLKN DATA SEQUENCE FLISAQKAPL STWDVTARLG EIKAKTFITW GRDDRFVPLD HGLKLLWNID DATA SEQUENCE DARLHVFSKC GHWAQWEHAD EFNRLVIDFL RHA 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 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 4 L C 0.000 177.035 176.870 0.276 0.000 1.165 4 L CA 0.000 54.976 54.840 0.227 0.000 0.813 4 L CB 0.000 42.256 42.059 0.329 0.000 0.961 5 T N -3.870 110.725 114.554 0.069 0.000 2.901 5 T HA 0.339 4.656 4.350 -0.055 0.000 0.293 5 T C 0.435 174.647 174.700 -0.813 0.000 1.084 5 T CA -0.648 61.336 62.100 -0.195 0.000 1.008 5 T CB 2.657 71.438 68.868 -0.144 0.000 1.170 5 T HN 0.660 8.900 8.240 -0.000 0.000 0.509 6 E N 0.774 120.098 120.200 -1.460 0.000 2.058 6 E HA -0.173 4.144 4.350 -0.055 0.000 0.194 6 E C 1.982 178.212 176.600 -0.617 0.000 0.997 6 E CA 1.914 57.409 56.400 -1.509 0.000 0.801 6 E CB -0.381 28.489 29.700 -1.383 0.000 0.746 6 E HN 0.662 9.022 8.360 -0.000 0.000 0.450 7 S N 0.070 115.523 115.700 -0.412 0.000 2.356 7 S HA -0.141 4.296 4.470 -0.055 0.000 0.223 7 S C 2.116 176.618 174.600 -0.165 0.000 1.032 7 S CA 2.014 60.081 58.200 -0.221 0.000 1.005 7 S CB -0.337 62.770 63.200 -0.156 0.000 0.867 7 S HN 0.445 8.755 8.310 -0.000 0.000 0.449 8 S N 0.265 115.870 115.700 -0.158 0.000 2.453 8 S HA -0.060 4.377 4.470 -0.055 0.000 0.231 8 S C 1.731 176.280 174.600 -0.085 0.000 1.005 8 S CA 1.413 59.558 58.200 -0.090 0.000 0.949 8 S CB -0.816 62.353 63.200 -0.051 0.000 0.774 8 S HN 0.748 9.058 8.310 -0.000 0.000 0.510 9 T N -1.551 112.925 114.554 -0.129 0.000 3.040 9 T HA 0.268 4.585 4.350 -0.055 0.000 0.250 9 T C 0.719 175.314 174.700 -0.175 0.000 1.058 9 T CA 0.159 62.206 62.100 -0.088 0.000 0.988 9 T CB -0.190 68.691 68.868 0.022 0.000 0.993 9 T HN 0.275 8.515 8.240 -0.000 0.000 0.519 10 S N 1.563 117.147 115.700 -0.193 0.000 2.537 10 S HA 0.321 4.758 4.470 -0.055 0.000 0.286 10 S C -0.397 173.984 174.600 -0.366 0.000 1.299 10 S CA -0.170 57.896 58.200 -0.224 0.000 1.067 10 S CB -0.065 63.112 63.200 -0.038 0.000 0.864 10 S HN 0.501 8.811 8.310 -0.000 0.000 0.494 11 K N 2.509 122.452 120.400 -0.760 0.000 2.536 11 K HA 0.526 4.813 4.320 -0.055 0.000 0.269 11 K C -1.641 174.412 176.600 -0.912 0.000 0.965 11 K CA -0.608 55.220 56.287 -0.764 0.000 0.860 11 K CB 1.491 33.365 32.500 -1.042 0.000 1.423 11 K HN 0.534 8.784 8.250 -0.000 0.000 0.438 12 F N 0.267 120.126 119.950 -0.152 0.000 2.576 12 F HA 0.604 5.098 4.527 -0.055 0.000 0.313 12 F C -0.618 175.291 175.800 0.181 0.000 1.078 12 F CA -0.967 57.076 58.000 0.072 0.000 0.921 12 F CB 2.174 41.223 39.000 0.082 0.000 1.232 12 F HN 0.086 8.386 8.300 -0.000 0.000 0.459 13 V N 3.324 123.497 119.914 0.431 0.000 2.851 13 V HA 0.492 4.579 4.120 -0.055 0.000 0.307 13 V C -1.422 174.800 176.094 0.214 0.000 1.129 13 V CA -0.831 61.644 62.300 0.291 0.000 0.932 13 V CB 2.123 34.101 31.823 0.259 0.000 1.024 13 V HN 0.583 8.773 8.190 -0.000 0.000 0.426 14 K N 6.351 126.844 120.400 0.155 0.000 2.234 14 K HA 0.529 4.816 4.320 -0.055 0.000 0.282 14 K C -0.321 176.350 176.600 0.118 0.000 1.039 14 K CA -0.096 56.272 56.287 0.135 0.000 0.928 14 K CB 1.449 34.012 32.500 0.105 0.000 1.039 14 K HN 0.811 9.061 8.250 -0.000 0.000 0.470 15 I N -0.548 120.105 120.570 0.138 0.000 2.750 15 I HA 0.464 4.601 4.170 -0.055 0.000 0.308 15 I C -0.524 175.675 176.117 0.138 0.000 1.016 15 I CA -0.775 60.578 61.300 0.088 0.000 1.098 15 I CB 1.895 39.889 38.000 -0.010 0.000 1.279 15 I HN 0.236 8.446 8.210 -0.000 0.000 0.454 16 N N 3.305 122.068 118.700 0.105 0.000 2.519 16 N HA 0.442 5.149 4.740 -0.055 0.000 0.286 16 N C -1.438 174.138 175.510 0.111 0.000 1.079 16 N CA -0.273 52.856 53.050 0.131 0.000 0.878 16 N CB 2.065 40.609 38.487 0.095 0.000 1.375 16 N HN 0.706 9.086 8.380 -0.000 0.000 0.514 17 E N 0.971 121.275 120.200 0.173 0.000 2.388 17 E HA 0.139 4.456 4.350 -0.055 0.000 0.280 17 E C -1.271 175.432 176.600 0.172 0.000 1.019 17 E CA -0.777 55.713 56.400 0.151 0.000 0.806 17 E CB 1.353 31.139 29.700 0.142 0.000 1.246 17 E HN 0.237 8.597 8.360 -0.000 0.000 0.443 18 K N 1.813 122.275 120.400 0.102 0.000 2.327 18 K HA -0.041 4.246 4.320 -0.055 0.000 0.254 18 K C 0.698 177.264 176.600 -0.057 0.000 1.251 18 K CA 1.778 58.087 56.287 0.037 0.000 1.261 18 K CB -1.155 31.367 32.500 0.037 0.000 0.766 18 K HN 0.847 9.097 8.250 -0.000 0.000 0.510 19 G N 3.200 111.933 108.800 -0.111 0.000 2.176 19 G HA2 -0.267 3.660 3.960 -0.055 0.000 0.253 19 G HA3 -0.267 3.660 3.960 -0.055 0.000 0.253 19 G C -0.376 174.240 174.900 -0.473 0.000 0.979 19 G CA 0.062 44.989 45.100 -0.288 0.000 0.641 19 G HN 0.491 8.781 8.290 -0.000 0.000 0.530 20 F N 1.165 121.089 119.950 -0.044 0.000 2.449 20 F HA 0.740 5.234 4.527 -0.056 0.000 0.342 20 F C 0.349 176.186 175.800 0.062 0.000 1.127 20 F CA -0.981 56.997 58.000 -0.036 0.000 0.975 20 F CB 2.431 41.368 39.000 -0.106 0.000 1.146 20 F HN 0.015 8.315 8.300 -0.000 0.000 0.444 21 S N 2.440 118.328 115.700 0.313 0.000 2.707 21 S HA 0.346 4.783 4.470 -0.055 0.000 0.312 21 S C -0.595 174.157 174.600 0.253 0.000 1.116 21 S CA -0.560 57.775 58.200 0.225 0.000 1.078 21 S CB 0.338 63.624 63.200 0.143 0.000 0.997 21 S HN 0.741 9.051 8.310 -0.000 0.000 0.477 22 D N 2.758 123.283 120.400 0.209 0.000 2.686 22 D HA -0.234 4.373 4.640 -0.055 0.000 0.235 22 D C -0.865 175.564 176.300 0.214 0.000 1.160 22 D CA 0.885 54.987 54.000 0.169 0.000 0.645 22 D CB -1.423 39.442 40.800 0.108 0.000 1.039 22 D HN 0.436 8.806 8.370 -0.000 0.000 0.423 23 F N 1.053 121.080 119.950 0.128 0.000 2.410 23 F HA 0.425 4.920 4.527 -0.055 0.000 0.349 23 F C 0.472 176.332 175.800 0.101 0.000 1.117 23 F CA -1.074 57.015 58.000 0.148 0.000 1.104 23 F CB 0.731 39.877 39.000 0.245 0.000 1.122 23 F HN -0.074 8.226 8.300 -0.000 0.000 0.483 24 N N 5.942 124.513 118.700 -0.216 0.000 2.430 24 N HA 0.237 4.944 4.740 -0.055 0.000 0.265 24 N C -1.251 174.337 175.510 0.131 0.000 1.100 24 N CA -0.108 52.938 53.050 -0.006 0.000 0.961 24 N CB 0.348 38.800 38.487 -0.058 0.000 1.075 24 N HN 0.358 8.738 8.380 -0.000 0.000 0.478 25 I N 3.357 124.094 120.570 0.278 0.000 2.362 25 I HA 0.139 4.276 4.170 -0.055 0.000 0.289 25 I C 0.293 176.637 176.117 0.379 0.000 0.994 25 I CA -0.619 60.867 61.300 0.311 0.000 1.158 25 I CB 0.982 39.104 38.000 0.204 0.000 1.315 25 I HN 0.572 8.782 8.210 -0.000 0.000 0.451 26 H N 7.911 127.117 119.070 0.227 0.000 2.487 26 H HA 0.471 4.994 4.556 -0.055 0.000 0.333 26 H C -1.573 173.802 175.328 0.079 0.000 1.114 26 H CA -0.123 55.873 56.048 -0.087 0.000 1.310 26 H CB 1.514 31.165 29.762 -0.185 0.000 1.462 26 H HN 0.553 8.833 8.280 -0.000 0.000 0.516 27 Y N 1.187 120.891 120.300 -0.993 0.000 2.638 27 Y HA 0.364 4.881 4.550 -0.055 0.000 0.335 27 Y C -1.774 173.741 175.900 -0.642 0.000 1.155 27 Y CA -1.438 56.302 58.100 -0.600 0.000 1.046 27 Y CB 0.670 38.976 38.460 -0.256 0.000 1.303 27 Y HN 0.472 8.752 8.280 -0.000 0.000 0.460 28 N N 1.166 119.762 118.700 -0.174 0.000 2.392 28 N HA 0.358 5.065 4.740 -0.055 0.000 0.283 28 N C -1.649 173.922 175.510 0.101 0.000 1.003 28 N CA -0.934 52.076 53.050 -0.067 0.000 0.892 28 N CB 1.965 40.588 38.487 0.227 0.000 1.193 28 N HN 0.699 9.079 8.380 -0.000 0.000 0.487 29 E N 1.744 121.974 120.200 0.049 0.000 2.222 29 E HA 0.785 5.102 4.350 -0.055 0.000 0.267 29 E C -1.593 175.075 176.600 0.113 0.000 0.884 29 E CA -0.951 55.531 56.400 0.136 0.000 0.764 29 E CB 1.323 31.139 29.700 0.193 0.000 1.169 29 E HN 0.622 8.982 8.360 -0.000 0.000 0.413 30 A N 2.680 125.578 122.820 0.129 0.000 2.572 30 A HA 0.829 5.116 4.320 -0.055 0.000 0.295 30 A C -0.099 177.552 177.584 0.111 0.000 1.072 30 A CA -0.017 52.092 52.037 0.120 0.000 0.691 30 A CB 1.427 20.519 19.000 0.153 0.000 1.291 30 A HN 1.056 9.206 8.150 -0.000 0.000 0.404 31 G N 0.808 109.663 108.800 0.092 0.000 2.795 31 G HA2 0.182 4.109 3.960 -0.055 0.000 0.664 31 G HA3 0.182 4.109 3.960 -0.055 0.000 0.664 31 G C -0.273 174.666 174.900 0.066 0.000 1.381 31 G CA 0.502 45.651 45.100 0.082 0.000 0.853 31 G HN 2.314 10.604 8.290 -0.000 0.000 0.545 32 N N -0.878 117.850 118.700 0.047 0.000 2.039 32 N HA 0.331 5.038 4.740 -0.055 0.000 0.228 32 N C 0.993 176.513 175.510 0.018 0.000 1.369 32 N CA 1.302 54.372 53.050 0.033 0.000 0.806 32 N CB -0.027 38.474 38.487 0.023 0.000 1.190 32 N HN 1.236 9.616 8.380 -0.000 0.000 0.506 33 G N 0.310 109.116 108.800 0.010 0.000 2.666 33 G HA2 0.251 4.178 3.960 -0.055 0.000 0.207 33 G HA3 0.251 4.178 3.960 -0.055 0.000 0.207 33 G C -0.435 174.487 174.900 0.036 0.000 1.481 33 G CA -0.537 44.551 45.100 -0.019 0.000 1.071 33 G HN 0.208 8.498 8.290 -0.000 0.000 0.572 34 E N 0.087 120.322 120.200 0.060 0.000 2.452 34 E HA 0.142 4.459 4.350 -0.055 0.000 0.261 34 E C -0.152 176.581 176.600 0.220 0.000 0.987 34 E CA 0.415 56.902 56.400 0.145 0.000 0.926 34 E CB 0.387 30.248 29.700 0.269 0.000 0.934 34 E HN 0.170 8.530 8.360 -0.000 0.000 0.452 35 T N 2.451 117.052 114.554 0.078 0.000 2.832 35 T HA 0.240 4.557 4.350 -0.055 0.000 0.296 35 T C -0.316 174.407 174.700 0.038 0.000 0.968 35 T CA -0.490 61.638 62.100 0.045 0.000 1.107 35 T CB 0.669 69.514 68.868 -0.038 0.000 0.916 35 T HN 0.094 8.334 8.240 -0.000 0.000 0.517 36 V N 5.338 125.280 119.914 0.048 0.000 2.444 36 V HA 0.439 4.526 4.120 -0.055 0.000 0.294 36 V C -0.086 175.934 176.094 -0.123 0.000 1.022 36 V CA -0.789 61.500 62.300 -0.020 0.000 0.850 36 V CB 1.410 33.203 31.823 -0.051 0.000 0.992 36 V HN 0.789 8.979 8.190 -0.000 0.000 0.426 37 I N 5.856 126.324 120.570 -0.171 0.000 2.321 37 I HA 0.450 4.587 4.170 -0.055 0.000 0.291 37 I C -0.067 175.879 176.117 -0.286 0.000 0.998 37 I CA -0.168 60.997 61.300 -0.224 0.000 1.227 37 I CB 1.400 39.249 38.000 -0.252 0.000 1.368 37 I HN 0.432 8.642 8.210 -0.000 0.000 0.466 38 M N 7.568 126.938 119.600 -0.384 0.000 2.268 38 M HA 0.535 4.982 4.480 -0.055 0.000 0.344 38 M C -1.041 175.036 176.300 -0.371 0.000 1.106 38 M CA -0.514 54.405 55.300 -0.636 0.000 1.010 38 M CB 1.768 33.542 32.600 -1.376 0.000 1.649 38 M HN 0.364 8.654 8.290 -0.000 0.000 0.443 39 L N 3.183 124.320 121.223 -0.142 0.000 2.356 39 L HA 0.494 4.801 4.340 -0.055 0.000 0.277 39 L C -0.275 176.695 176.870 0.167 0.000 0.996 39 L CA -1.005 53.821 54.840 -0.024 0.000 0.822 39 L CB 1.339 43.336 42.059 -0.103 0.000 1.256 39 L HN 0.719 8.949 8.230 -0.000 0.000 0.413 40 H N 0.802 119.967 119.070 0.160 0.000 2.500 40 H HA 0.749 5.272 4.556 -0.055 0.000 0.351 40 H C 0.363 175.632 175.328 -0.099 0.000 1.281 40 H CA -0.467 55.615 56.048 0.057 0.000 1.368 40 H CB 0.667 30.417 29.762 -0.019 0.000 1.616 40 H HN 0.555 8.835 8.280 -0.000 0.000 0.591 41 G N -1.481 107.346 108.800 0.046 0.000 2.563 41 G HA2 0.374 4.301 3.960 -0.055 0.000 0.283 41 G HA3 0.374 4.301 3.960 -0.055 0.000 0.283 41 G C 0.656 175.498 174.900 -0.097 0.000 1.309 41 G CA -0.703 44.386 45.100 -0.018 0.000 1.022 41 G HN 0.935 9.225 8.290 -0.000 0.000 0.501 42 G N -1.101 107.682 108.800 -0.028 0.000 3.434 42 G HA2 0.462 4.389 3.960 -0.055 0.000 0.258 42 G HA3 0.462 4.389 3.960 -0.055 0.000 0.258 42 G C 0.701 175.676 174.900 0.124 0.000 1.128 42 G CA 0.431 45.579 45.100 0.081 0.000 0.792 42 G HN 0.834 9.124 8.290 -0.000 0.000 0.539 43 G N 0.534 109.291 108.800 -0.071 0.000 2.527 43 G HA2 0.464 4.391 3.960 -0.055 0.000 0.248 43 G HA3 0.464 4.391 3.960 -0.055 0.000 0.248 43 G C -2.610 172.123 174.900 -0.278 0.000 1.231 43 G CA -1.010 43.926 45.100 -0.273 0.000 0.838 43 G HN -0.004 8.286 8.290 -0.000 0.000 0.570 44 P HA 0.159 4.579 4.420 -0.000 0.000 0.261 44 P C 0.978 178.072 177.300 -0.343 0.000 1.183 44 P CA 1.551 64.219 63.100 -0.720 0.000 0.761 44 P CB 0.908 32.068 31.700 -0.900 0.000 0.785 45 G N 2.006 110.691 108.800 -0.191 0.000 2.179 45 G HA2 -0.195 3.732 3.960 -0.055 0.000 0.260 45 G HA3 -0.195 3.732 3.960 -0.055 0.000 0.260 45 G C 0.474 175.313 174.900 -0.103 0.000 0.977 45 G CA -0.019 45.007 45.100 -0.124 0.000 0.641 45 G HN 0.841 9.131 8.290 -0.000 0.000 0.533 46 A N -0.208 122.568 122.820 -0.074 0.000 2.425 46 A HA 0.809 5.096 4.320 -0.055 0.000 0.242 46 A C 0.993 178.383 177.584 -0.324 0.000 1.077 46 A CA 1.278 53.189 52.037 -0.211 0.000 0.781 46 A CB 0.809 19.666 19.000 -0.238 0.000 1.020 46 A HN 2.111 10.261 8.150 -0.000 0.000 0.494 47 G N -0.995 107.524 108.800 -0.468 0.000 2.550 47 G HA2 0.510 4.437 3.960 -0.055 0.000 0.293 47 G HA3 0.510 4.437 3.960 -0.055 0.000 0.293 47 G C 0.577 175.424 174.900 -0.088 0.000 1.402 47 G CA 0.257 45.085 45.100 -0.453 0.000 0.784 47 G HN 1.232 9.522 8.290 -0.000 0.000 0.482 48 G N -0.548 108.379 108.800 0.212 0.000 2.480 48 G HA2 -0.175 3.752 3.960 -0.055 0.000 0.216 48 G HA3 -0.175 3.752 3.960 -0.055 0.000 0.216 48 G C 1.459 176.610 174.900 0.418 0.000 1.200 48 G CA 1.527 46.867 45.100 0.400 0.000 0.782 48 G HN 0.539 8.829 8.290 -0.000 0.000 0.554 49 W N 1.419 122.855 121.300 0.226 0.000 2.355 49 W HA -0.158 4.470 4.660 -0.053 0.000 0.309 49 W C 2.744 179.459 176.519 0.327 0.000 1.206 49 W CA 2.002 59.497 57.345 0.251 0.000 1.284 49 W CB -0.667 28.896 29.460 0.172 0.000 1.145 49 W HN 0.330 8.510 8.180 -0.000 0.000 0.502 50 S N 0.713 116.640 115.700 0.379 0.000 2.374 50 S HA -0.273 4.164 4.470 -0.055 0.000 0.227 50 S C 1.633 176.419 174.600 0.309 0.000 1.037 50 S CA 1.880 60.256 58.200 0.294 0.000 1.024 50 S CB -0.774 62.487 63.200 0.102 0.000 0.861 50 S HN 0.398 8.708 8.310 -0.000 0.000 0.456 51 N N -1.450 117.327 118.700 0.129 0.000 2.354 51 N HA 0.007 4.714 4.740 -0.055 0.000 0.179 51 N C 0.184 175.615 175.510 -0.132 0.000 1.021 51 N CA 0.923 53.968 53.050 -0.008 0.000 0.887 51 N CB 0.103 38.400 38.487 -0.317 0.000 0.974 51 N HN 0.490 8.870 8.380 -0.000 0.000 0.437 52 Y N -0.940 119.416 120.300 0.093 0.000 2.675 52 Y HA 0.099 4.615 4.550 -0.056 0.000 0.248 52 Y C 0.911 176.635 175.900 -0.292 0.000 1.161 52 Y CA -0.785 57.255 58.100 -0.101 0.000 1.203 52 Y CB -0.406 37.993 38.460 -0.101 0.000 1.262 52 Y HN 0.119 8.399 8.280 -0.000 0.000 0.544 53 Y N -0.982 119.135 120.300 -0.306 0.000 2.497 53 Y HA 0.040 4.557 4.550 -0.054 0.000 0.292 53 Y C 1.552 177.284 175.900 -0.281 0.000 1.137 53 Y CA 0.651 58.357 58.100 -0.658 0.000 1.285 53 Y CB -0.391 37.485 38.460 -0.974 0.000 0.991 53 Y HN -0.139 8.141 8.280 -0.000 0.000 0.556 54 R N 0.478 120.577 120.500 -0.670 0.000 2.313 54 R HA 0.095 4.402 4.340 -0.055 0.000 0.199 54 R C 0.339 176.531 176.300 -0.179 0.000 0.958 54 R CA 0.896 56.730 56.100 -0.444 0.000 1.047 54 R CB -0.205 29.705 30.300 -0.650 0.000 0.955 54 R HN 0.581 8.851 8.270 -0.000 0.000 0.481 55 N N -0.952 117.696 118.700 -0.088 0.000 2.445 55 N HA -0.044 4.663 4.740 -0.055 0.000 0.204 55 N C 1.425 177.010 175.510 0.125 0.000 1.098 55 N CA -0.021 53.087 53.050 0.096 0.000 0.859 55 N CB 0.304 38.846 38.487 0.090 0.000 1.249 55 N HN -0.139 8.241 8.380 -0.000 0.000 0.462 56 V N 1.245 121.157 119.914 -0.004 0.000 2.287 56 V HA -0.169 3.918 4.120 -0.055 0.000 0.248 56 V C 2.014 178.194 176.094 0.144 0.000 1.053 56 V CA 2.536 64.856 62.300 0.032 0.000 1.027 56 V CB -0.992 30.819 31.823 -0.021 0.000 0.646 56 V HN 0.398 8.588 8.190 -0.000 0.000 0.447 57 G N -0.341 108.530 108.800 0.120 0.000 2.453 57 G HA2 -0.170 3.757 3.960 -0.055 0.000 0.215 57 G HA3 -0.170 3.757 3.960 -0.055 0.000 0.215 57 G C -0.136 174.851 174.900 0.145 0.000 1.201 57 G CA 1.087 46.265 45.100 0.131 0.000 0.784 57 G HN 0.547 8.837 8.290 -0.000 0.000 0.545 58 P HA -0.071 4.349 4.420 -0.000 0.000 0.216 58 P C 1.392 178.772 177.300 0.134 0.000 1.150 58 P CA 0.776 63.943 63.100 0.111 0.000 0.837 58 P CB -0.113 31.642 31.700 0.092 0.000 0.786 59 F N -1.020 118.971 119.950 0.068 0.000 2.146 59 F HA -0.146 4.347 4.527 -0.056 0.000 0.298 59 F C 2.340 178.249 175.800 0.183 0.000 1.096 59 F CA 1.131 59.210 58.000 0.131 0.000 1.275 59 F CB -1.356 37.687 39.000 0.071 0.000 1.008 59 F HN -0.275 8.025 8.300 -0.000 0.000 0.480 60 V N -0.046 120.049 119.914 0.300 0.000 2.343 60 V HA -0.281 3.806 4.120 -0.055 0.000 0.247 60 V C 1.921 178.078 176.094 0.104 0.000 1.051 60 V CA 2.022 64.435 62.300 0.188 0.000 1.036 60 V CB -0.567 31.349 31.823 0.154 0.000 0.654 60 V HN 0.221 8.411 8.190 -0.000 0.000 0.451 61 D N 0.685 121.137 120.400 0.087 0.000 2.182 61 D HA -0.135 4.472 4.640 -0.055 0.000 0.201 61 D C 2.040 178.335 176.300 -0.008 0.000 0.986 61 D CA 1.633 55.653 54.000 0.033 0.000 0.847 61 D CB -0.262 40.554 40.800 0.028 0.000 0.942 61 D HN 0.482 8.852 8.370 -0.000 0.000 0.467 62 A N -0.615 122.203 122.820 -0.004 0.000 2.206 62 A HA 0.382 4.669 4.320 -0.055 0.000 0.211 62 A C 1.749 179.198 177.584 -0.225 0.000 1.158 62 A CA 1.236 53.230 52.037 -0.071 0.000 0.761 62 A CB -0.077 18.911 19.000 -0.020 0.000 0.801 62 A HN 0.285 8.435 8.150 -0.000 0.000 0.473 63 G N -2.839 105.851 108.800 -0.183 0.000 2.168 63 G HA2 -0.209 3.718 3.960 -0.055 0.000 0.197 63 G HA3 -0.209 3.718 3.960 -0.055 0.000 0.197 63 G C -0.139 174.538 174.900 -0.372 0.000 0.997 63 G CA -0.015 44.914 45.100 -0.284 0.000 0.658 63 G HN 0.353 8.643 8.290 -0.000 0.000 0.513 64 Y N 0.351 120.683 120.300 0.053 0.000 2.335 64 Y HA 0.632 5.150 4.550 -0.054 0.000 0.323 64 Y C 1.063 177.012 175.900 0.082 0.000 1.224 64 Y CA -0.851 57.302 58.100 0.089 0.000 1.241 64 Y CB 0.764 39.325 38.460 0.168 0.000 1.235 64 Y HN 0.155 8.435 8.280 -0.000 0.000 0.492 65 R N 2.055 122.689 120.500 0.223 0.000 2.234 65 R HA 0.498 4.805 4.340 -0.055 0.000 0.324 65 R C -1.752 174.635 176.300 0.145 0.000 1.054 65 R CA -0.276 55.912 56.100 0.146 0.000 0.912 65 R CB 0.273 30.628 30.300 0.092 0.000 1.030 65 R HN 0.565 8.835 8.270 -0.000 0.000 0.455 66 V N 7.265 127.252 119.914 0.122 0.000 2.398 66 V HA 0.387 4.474 4.120 -0.055 0.000 0.286 66 V C 0.179 176.298 176.094 0.041 0.000 1.026 66 V CA -0.605 61.728 62.300 0.055 0.000 0.868 66 V CB 1.648 33.499 31.823 0.047 0.000 0.982 66 V HN 0.712 8.902 8.190 -0.000 0.000 0.443 67 I N 5.928 126.486 120.570 -0.020 0.000 2.382 67 I HA 0.387 4.524 4.170 -0.055 0.000 0.286 67 I C -0.575 175.518 176.117 -0.041 0.000 1.002 67 I CA -0.394 60.914 61.300 0.014 0.000 1.135 67 I CB 1.596 39.556 38.000 -0.068 0.000 1.288 67 I HN 0.372 8.582 8.210 -0.000 0.000 0.448 68 L N 7.202 128.453 121.223 0.047 0.000 2.270 68 L HA 0.407 4.714 4.340 -0.055 0.000 0.286 68 L C 0.168 177.113 176.870 0.125 0.000 1.059 68 L CA -0.385 54.488 54.840 0.055 0.000 0.839 68 L CB 0.472 42.637 42.059 0.176 0.000 1.221 68 L HN 0.527 8.757 8.230 -0.000 0.000 0.431 69 K N 2.505 122.956 120.400 0.084 0.000 2.172 69 K HA 0.224 4.512 4.320 -0.055 0.000 0.276 69 K C -0.844 175.902 176.600 0.244 0.000 1.013 69 K CA -0.732 55.618 56.287 0.105 0.000 0.913 69 K CB 1.153 33.641 32.500 -0.021 0.000 1.055 69 K HN 0.383 8.633 8.250 -0.000 0.000 0.461 70 D N 2.248 122.815 120.400 0.279 0.000 2.295 70 D HA 0.116 4.723 4.640 -0.055 0.000 0.248 70 D C -0.400 176.121 176.300 0.368 0.000 1.154 70 D CA 0.070 54.326 54.000 0.426 0.000 0.857 70 D CB 1.537 42.577 40.800 0.401 0.000 1.117 70 D HN 0.353 8.723 8.370 -0.000 0.000 0.468 71 S N 2.598 118.540 115.700 0.404 0.000 2.593 71 S HA 0.228 4.665 4.470 -0.055 0.000 0.269 71 S C -2.206 172.619 174.600 0.376 0.000 1.334 71 S CA -0.963 57.348 58.200 0.184 0.000 1.015 71 S CB 0.527 63.661 63.200 -0.111 0.000 0.912 71 S HN 0.285 8.595 8.310 -0.000 0.000 0.541 72 P HA 0.118 4.538 4.420 -0.000 0.000 0.264 72 P C 0.713 178.277 177.300 0.441 0.000 1.183 72 P CA 1.053 64.426 63.100 0.454 0.000 0.763 72 P CB 0.122 32.002 31.700 0.301 0.000 0.807 73 G N 0.923 109.900 108.800 0.295 0.000 2.143 73 G HA2 -0.247 3.680 3.960 -0.055 0.000 0.248 73 G HA3 -0.247 3.680 3.960 -0.055 0.000 0.248 73 G C -0.269 174.128 174.900 -0.838 0.000 0.991 73 G CA -0.441 44.584 45.100 -0.126 0.000 0.689 73 G HN 0.409 8.699 8.290 -0.000 0.000 0.522 74 F N -0.861 118.831 119.950 -0.430 0.000 2.576 74 F HA 0.596 5.090 4.527 -0.055 0.000 0.313 74 F C 0.929 176.681 175.800 -0.080 0.000 1.078 74 F CA -0.117 57.712 58.000 -0.285 0.000 0.921 74 F CB 1.733 40.782 39.000 0.082 0.000 1.232 74 F HN 0.165 8.465 8.300 -0.000 0.000 0.459 75 N N 1.333 120.156 118.700 0.206 0.000 1.194 75 N HA -0.333 4.374 4.740 -0.055 0.000 0.131 75 N C 0.502 176.185 175.510 0.288 0.000 0.688 75 N CA 2.343 55.526 53.050 0.221 0.000 0.927 75 N CB -0.375 38.201 38.487 0.149 0.000 1.224 75 N HN 0.723 9.103 8.380 -0.000 0.000 0.529 76 K N -0.258 120.264 120.400 0.202 0.000 2.387 76 K HA 0.285 4.572 4.320 -0.055 0.000 0.198 76 K C -0.073 176.731 176.600 0.341 0.000 1.022 76 K CA -0.054 56.344 56.287 0.185 0.000 1.128 76 K CB 0.284 32.721 32.500 -0.104 0.000 0.853 76 K HN 0.204 8.454 8.250 -0.000 0.000 0.523 77 S N 1.392 117.306 115.700 0.356 0.000 2.614 77 S HA 0.069 4.506 4.470 -0.055 0.000 0.265 77 S C -0.033 174.714 174.600 0.246 0.000 1.303 77 S CA -0.588 57.808 58.200 0.328 0.000 1.000 77 S CB 0.711 64.133 63.200 0.370 0.000 0.935 77 S HN 0.125 8.435 8.310 -0.000 0.000 0.551 78 D N 1.565 121.952 120.400 -0.022 0.000 2.449 78 D HA 0.300 4.907 4.640 -0.055 0.000 0.236 78 D C 0.275 176.694 176.300 0.198 0.000 1.149 78 D CA 0.236 54.112 54.000 -0.207 0.000 0.878 78 D CB 0.423 40.573 40.800 -1.084 0.000 1.198 78 D HN 0.585 8.955 8.370 -0.000 0.000 0.446 79 A N 1.317 124.285 122.820 0.246 0.000 2.425 79 A HA 0.452 4.739 4.320 -0.055 0.000 0.242 79 A C -0.186 177.630 177.584 0.386 0.000 1.077 79 A CA -0.199 52.060 52.037 0.369 0.000 0.781 79 A CB 0.739 19.857 19.000 0.197 0.000 1.020 79 A HN 0.355 8.505 8.150 -0.000 0.000 0.494 80 V N 2.357 122.488 119.914 0.362 0.000 3.077 80 V HA 0.483 4.570 4.120 -0.055 0.000 0.299 80 V C -1.254 174.951 176.094 0.184 0.000 1.276 80 V CA -0.477 62.017 62.300 0.324 0.000 0.993 80 V CB 2.327 34.401 31.823 0.420 0.000 1.076 80 V HN 0.832 9.022 8.190 -0.000 0.000 0.434 81 V N 6.984 126.968 119.914 0.116 0.000 2.417 81 V HA 0.542 4.629 4.120 -0.055 0.000 0.291 81 V C 0.086 176.189 176.094 0.015 0.000 1.024 81 V CA -0.366 61.967 62.300 0.055 0.000 0.861 81 V CB 1.617 33.465 31.823 0.041 0.000 0.985 81 V HN 0.849 9.039 8.190 -0.000 0.000 0.436 82 M N 3.914 123.509 119.600 -0.009 0.000 2.180 82 M HA 0.343 4.790 4.480 -0.055 0.000 0.350 82 M C 0.329 176.605 176.300 -0.039 0.000 1.125 82 M CA -0.534 54.742 55.300 -0.040 0.000 1.031 82 M CB 1.390 33.965 32.600 -0.042 0.000 1.623 82 M HN 0.824 9.114 8.290 -0.000 0.000 0.451 83 D N 0.036 120.409 120.400 -0.047 0.000 2.350 83 D HA 0.064 4.671 4.640 -0.055 0.000 0.213 83 D C -0.145 176.140 176.300 -0.026 0.000 1.031 83 D CA 0.327 54.308 54.000 -0.030 0.000 0.861 83 D CB 0.424 41.206 40.800 -0.030 0.000 0.926 83 D HN 0.502 8.872 8.370 -0.000 0.000 0.520 84 E N 0.275 120.448 120.200 -0.046 0.000 2.249 84 E HA 0.246 4.563 4.350 -0.055 0.000 0.263 84 E C -0.467 176.097 176.600 -0.060 0.000 0.950 84 E CA -1.136 55.237 56.400 -0.044 0.000 0.827 84 E CB 1.013 30.672 29.700 -0.067 0.000 1.220 84 E HN 0.173 8.533 8.360 -0.000 0.000 0.411 85 Q N 0.928 120.689 119.800 -0.064 0.000 2.304 85 Q HA -0.033 4.274 4.340 -0.055 0.000 0.301 85 Q C 0.406 176.137 176.000 -0.448 0.000 1.063 85 Q CA 0.590 56.272 55.803 -0.203 0.000 0.947 85 Q CB 0.599 29.267 28.738 -0.118 0.000 1.201 85 Q HN 0.411 8.681 8.270 -0.000 0.000 0.389 86 R N 2.684 122.694 120.500 -0.817 0.000 2.115 86 R HA -0.100 4.207 4.340 -0.055 0.000 0.230 86 R C 2.107 178.063 176.300 -0.574 0.000 1.111 86 R CA 1.117 56.849 56.100 -0.613 0.000 0.976 86 R CB -0.500 29.459 30.300 -0.570 0.000 0.870 86 R HN 0.945 9.215 8.270 -0.000 0.000 0.445 87 G N 1.740 110.064 108.800 -0.794 0.000 2.446 87 G HA2 -0.273 3.654 3.960 -0.055 0.000 0.217 87 G HA3 -0.273 3.654 3.960 -0.055 0.000 0.217 87 G C 1.349 176.140 174.900 -0.183 0.000 1.168 87 G CA 0.514 45.378 45.100 -0.393 0.000 0.771 87 G HN 0.194 8.484 8.290 -0.000 0.000 0.551 88 L N 0.670 121.787 121.223 -0.177 0.000 2.044 88 L HA 0.059 4.366 4.340 -0.055 0.000 0.205 88 L C 2.920 179.780 176.870 -0.017 0.000 1.075 88 L CA 1.379 56.171 54.840 -0.080 0.000 0.747 88 L CB -0.488 41.517 42.059 -0.089 0.000 0.903 88 L HN 0.075 8.305 8.230 -0.000 0.000 0.435 89 V N 0.486 120.372 119.914 -0.047 0.000 2.295 89 V HA -0.276 3.811 4.120 -0.055 0.000 0.246 89 V C 2.392 178.575 176.094 0.149 0.000 1.049 89 V CA 1.874 64.200 62.300 0.044 0.000 1.024 89 V CB -1.038 30.773 31.823 -0.019 0.000 0.648 89 V HN 0.506 8.696 8.190 -0.000 0.000 0.447 90 N N 0.762 119.488 118.700 0.043 0.000 2.149 90 N HA -0.156 4.551 4.740 -0.055 0.000 0.188 90 N C 1.849 177.403 175.510 0.073 0.000 1.019 90 N CA 1.755 54.823 53.050 0.030 0.000 0.857 90 N CB -0.568 37.887 38.487 -0.055 0.000 0.997 90 N HN 0.520 8.900 8.380 -0.000 0.000 0.426 91 A N 1.251 124.149 122.820 0.131 0.000 1.898 91 A HA -0.076 4.212 4.320 -0.055 0.000 0.216 91 A C 2.243 180.062 177.584 0.391 0.000 1.181 91 A CA 1.063 53.283 52.037 0.305 0.000 0.620 91 A CB -0.381 18.793 19.000 0.291 0.000 0.819 91 A HN 0.219 8.369 8.150 -0.000 0.000 0.442 92 R N -0.417 120.269 120.500 0.309 0.000 2.091 92 R HA -0.119 4.188 4.340 -0.055 0.000 0.238 92 R C 2.411 178.794 176.300 0.138 0.000 1.136 92 R CA 1.296 57.574 56.100 0.297 0.000 0.959 92 R CB -0.458 30.041 30.300 0.331 0.000 0.856 92 R HN 0.517 8.787 8.270 -0.000 0.000 0.437 93 A N 0.513 123.344 122.820 0.018 0.000 1.930 93 A HA -0.090 4.197 4.320 -0.055 0.000 0.217 93 A C 2.321 179.821 177.584 -0.141 0.000 1.175 93 A CA 1.212 53.065 52.037 -0.307 0.000 0.627 93 A CB -0.375 18.322 19.000 -0.505 0.000 0.815 93 A HN 0.116 8.266 8.150 -0.000 0.000 0.443 94 V N 0.377 120.280 119.914 -0.019 0.000 2.343 94 V HA -0.279 3.808 4.120 -0.055 0.000 0.247 94 V C 2.524 178.630 176.094 0.021 0.000 1.051 94 V CA 2.362 64.641 62.300 -0.037 0.000 1.036 94 V CB -0.676 31.102 31.823 -0.075 0.000 0.654 94 V HN 0.685 8.875 8.190 -0.000 0.000 0.451 95 K N 0.335 120.808 120.400 0.121 0.000 2.063 95 K HA -0.166 4.121 4.320 -0.055 0.000 0.208 95 K C 2.181 178.715 176.600 -0.109 0.000 1.048 95 K CA 1.709 57.951 56.287 -0.075 0.000 0.928 95 K CB -0.623 31.517 32.500 -0.601 0.000 0.713 95 K HN 0.495 8.745 8.250 -0.000 0.000 0.442 96 G N 1.830 110.575 108.800 -0.092 0.000 2.440 96 G HA2 -0.278 3.649 3.960 -0.055 0.000 0.218 96 G HA3 -0.278 3.649 3.960 -0.055 0.000 0.218 96 G C 1.488 176.338 174.900 -0.084 0.000 1.154 96 G CA 0.901 45.954 45.100 -0.078 0.000 0.767 96 G HN 0.363 8.653 8.290 -0.000 0.000 0.552 97 L N -0.173 120.980 121.223 -0.116 0.000 1.994 97 L HA -0.024 4.284 4.340 -0.055 0.000 0.208 97 L C 2.962 179.742 176.870 -0.150 0.000 1.071 97 L CA 1.634 56.382 54.840 -0.153 0.000 0.745 97 L CB -0.158 41.768 42.059 -0.222 0.000 0.892 97 L HN 0.236 8.466 8.230 -0.000 0.000 0.431 98 M N -0.519 119.005 119.600 -0.127 0.000 2.117 98 M HA -0.218 4.229 4.480 -0.055 0.000 0.262 98 M C 1.780 178.035 176.300 -0.075 0.000 1.065 98 M CA 1.713 56.950 55.300 -0.104 0.000 1.114 98 M CB -0.566 31.996 32.600 -0.064 0.000 1.361 98 M HN 0.273 8.563 8.290 -0.000 0.000 0.408 99 D N 0.647 121.006 120.400 -0.068 0.000 2.097 99 D HA -0.099 4.508 4.640 -0.055 0.000 0.195 99 D C 2.033 178.312 176.300 -0.036 0.000 0.989 99 D CA 1.703 55.673 54.000 -0.050 0.000 0.827 99 D CB -0.256 40.514 40.800 -0.050 0.000 0.966 99 D HN 0.343 8.713 8.370 -0.000 0.000 0.456 100 A N 0.470 123.267 122.820 -0.037 0.000 1.933 100 A HA -0.090 4.197 4.320 -0.055 0.000 0.218 100 A C 2.145 179.718 177.584 -0.017 0.000 1.175 100 A CA 0.899 52.926 52.037 -0.016 0.000 0.628 100 A CB -0.539 18.458 19.000 -0.006 0.000 0.814 100 A HN 0.255 8.405 8.150 -0.000 0.000 0.444 101 L N -1.207 119.987 121.223 -0.048 0.000 2.628 101 L HA 0.112 4.419 4.340 -0.055 0.000 0.229 101 L C 0.279 177.130 176.870 -0.031 0.000 1.137 101 L CA 0.236 55.051 54.840 -0.042 0.000 0.909 101 L CB -0.309 41.693 42.059 -0.095 0.000 1.137 101 L HN 0.335 8.565 8.230 -0.000 0.000 0.470 102 D N 1.476 121.859 120.400 -0.029 0.000 2.699 102 D HA -0.209 4.398 4.640 -0.055 0.000 0.239 102 D C -0.289 175.994 176.300 -0.027 0.000 1.136 102 D CA 0.649 54.636 54.000 -0.022 0.000 0.668 102 D CB -0.915 39.880 40.800 -0.010 0.000 1.060 102 D HN 0.267 8.637 8.370 -0.000 0.000 0.429 103 I N 0.438 120.983 120.570 -0.041 0.000 2.312 103 I HA 0.192 4.329 4.170 -0.055 0.000 0.290 103 I C 1.427 177.524 176.117 -0.033 0.000 1.008 103 I CA -0.657 60.616 61.300 -0.045 0.000 1.226 103 I CB 1.541 39.498 38.000 -0.072 0.000 1.371 103 I HN -0.071 8.139 8.210 -0.000 0.000 0.468 104 D N 4.873 125.258 120.400 -0.025 0.000 2.120 104 D HA 0.005 4.612 4.640 -0.055 0.000 0.202 104 D C 0.731 177.031 176.300 0.001 0.000 0.972 104 D CA 1.366 55.359 54.000 -0.012 0.000 0.837 104 D CB 0.485 41.278 40.800 -0.011 0.000 0.989 104 D HN 0.400 8.770 8.370 -0.000 0.000 0.469 105 R N -0.915 119.571 120.500 -0.024 0.000 2.651 105 R HA 0.723 5.030 4.340 -0.055 0.000 0.278 105 R C -1.782 174.456 176.300 -0.102 0.000 1.010 105 R CA -0.790 55.294 56.100 -0.026 0.000 0.896 105 R CB 2.116 32.392 30.300 -0.040 0.000 1.211 105 R HN 0.052 8.322 8.270 -0.000 0.000 0.456 106 A N 2.438 125.187 122.820 -0.119 0.000 2.435 106 A HA 0.503 4.790 4.320 -0.055 0.000 0.304 106 A C -1.316 176.149 177.584 -0.198 0.000 1.064 106 A CA -0.783 51.133 52.037 -0.203 0.000 0.727 106 A CB 1.064 19.939 19.000 -0.208 0.000 1.284 106 A HN 0.730 8.880 8.150 -0.000 0.000 0.415 107 H N 1.245 120.283 119.070 -0.054 0.000 2.652 107 H HA 0.407 4.931 4.556 -0.055 0.000 0.349 107 H C -0.555 174.709 175.328 -0.106 0.000 1.099 107 H CA 0.306 56.323 56.048 -0.051 0.000 1.417 107 H CB 0.735 30.458 29.762 -0.064 0.000 1.457 107 H HN 0.450 8.730 8.280 -0.000 0.000 0.568 108 L N 2.766 124.017 121.223 0.047 0.000 2.346 108 L HA 0.418 4.725 4.340 -0.055 0.000 0.276 108 L C -0.267 176.598 176.870 -0.008 0.000 1.006 108 L CA -0.993 53.812 54.840 -0.058 0.000 0.817 108 L CB 2.076 44.074 42.059 -0.102 0.000 1.272 108 L HN 0.208 8.438 8.230 -0.000 0.000 0.421 109 V N 1.450 121.322 119.914 -0.069 0.000 2.444 109 V HA 0.774 4.861 4.120 -0.055 0.000 0.294 109 V C 0.128 176.238 176.094 0.026 0.000 1.022 109 V CA -0.400 61.897 62.300 -0.005 0.000 0.850 109 V CB 1.769 33.533 31.823 -0.097 0.000 0.992 109 V HN 0.905 9.095 8.190 -0.000 0.000 0.426 110 G N 3.042 111.914 108.800 0.120 0.000 2.732 110 G HA2 0.413 4.340 3.960 -0.055 0.000 0.295 110 G HA3 0.413 4.340 3.960 -0.055 0.000 0.295 110 G C -1.335 173.661 174.900 0.159 0.000 1.456 110 G CA -0.521 44.660 45.100 0.135 0.000 1.050 110 G HN 0.488 8.778 8.290 -0.000 0.000 0.525 111 N N 1.421 120.228 118.700 0.178 0.000 2.421 111 N HA 0.567 5.274 4.740 -0.055 0.000 0.285 111 N C 0.972 176.594 175.510 0.188 0.000 1.027 111 N CA 0.837 53.970 53.050 0.138 0.000 0.918 111 N CB 1.823 40.359 38.487 0.083 0.000 1.152 111 N HN 1.181 9.561 8.380 -0.000 0.000 0.485 112 A N 4.308 127.275 122.820 0.245 0.000 5.218 112 A HA -0.345 3.942 4.320 -0.055 0.000 0.318 112 A C 1.651 179.368 177.584 0.222 0.000 1.887 112 A CA 1.957 54.118 52.037 0.207 0.000 0.712 112 A CB -1.709 17.322 19.000 0.051 0.000 1.343 112 A HN 0.771 8.921 8.150 -0.000 0.000 0.377 113 M N -0.105 119.637 119.600 0.237 0.000 2.106 113 M HA -0.100 4.347 4.480 -0.055 0.000 0.259 113 M C 1.916 178.273 176.300 0.096 0.000 1.068 113 M CA 3.116 58.596 55.300 0.300 0.000 1.100 113 M CB -0.729 32.035 32.600 0.272 0.000 1.351 113 M HN 1.055 9.345 8.290 -0.000 0.000 0.404 114 G N -0.867 107.946 108.800 0.022 0.000 2.450 114 G HA2 -0.162 3.765 3.960 -0.055 0.000 0.220 114 G HA3 -0.162 3.765 3.960 -0.055 0.000 0.220 114 G C 1.373 176.305 174.900 0.053 0.000 1.130 114 G CA 0.848 45.938 45.100 -0.017 0.000 0.760 114 G HN 0.631 8.921 8.290 -0.000 0.000 0.557 115 G N 1.019 109.885 108.800 0.111 0.000 2.402 115 G HA2 0.070 3.997 3.960 -0.055 0.000 0.216 115 G HA3 0.070 3.997 3.960 -0.055 0.000 0.216 115 G C 2.034 177.019 174.900 0.141 0.000 1.162 115 G CA 1.444 46.622 45.100 0.130 0.000 0.777 115 G HN 0.608 8.898 8.290 -0.000 0.000 0.539 116 A N 0.475 123.395 122.820 0.165 0.000 1.877 116 A HA -0.032 4.255 4.320 -0.055 0.000 0.216 116 A C 2.533 180.151 177.584 0.057 0.000 1.186 116 A CA 2.488 54.614 52.037 0.149 0.000 0.620 116 A CB -1.078 18.056 19.000 0.223 0.000 0.822 116 A HN 0.288 8.438 8.150 -0.000 0.000 0.443 117 T N 0.504 115.064 114.554 0.010 0.000 2.665 117 T HA -0.131 4.186 4.350 -0.055 0.000 0.268 117 T C 2.197 176.949 174.700 0.086 0.000 1.035 117 T CA 1.940 64.044 62.100 0.006 0.000 1.151 117 T CB -0.537 68.304 68.868 -0.046 0.000 0.862 117 T HN 0.626 8.866 8.240 -0.000 0.000 0.438 118 A N 0.852 123.720 122.820 0.079 0.000 1.933 118 A HA 0.040 4.327 4.320 -0.055 0.000 0.218 118 A C 2.331 180.018 177.584 0.171 0.000 1.175 118 A CA 1.149 53.253 52.037 0.111 0.000 0.628 118 A CB -0.797 18.250 19.000 0.077 0.000 0.814 118 A HN 0.472 8.622 8.150 -0.000 0.000 0.444 119 L N -0.295 121.013 121.223 0.140 0.000 2.056 119 L HA -0.191 4.116 4.340 -0.055 0.000 0.207 119 L C 2.423 179.359 176.870 0.110 0.000 1.078 119 L CA 1.282 56.201 54.840 0.131 0.000 0.749 119 L CB -0.555 41.579 42.059 0.124 0.000 0.901 119 L HN 0.455 8.685 8.230 -0.000 0.000 0.433 120 N N -0.365 118.390 118.700 0.092 0.000 2.166 120 N HA -0.217 4.491 4.740 -0.055 0.000 0.186 120 N C 1.889 177.420 175.510 0.035 0.000 1.019 120 N CA 1.440 54.510 53.050 0.034 0.000 0.856 120 N CB -0.156 38.334 38.487 0.003 0.000 0.993 120 N HN 0.227 8.607 8.380 -0.000 0.000 0.426 121 F N 2.069 122.032 119.950 0.021 0.000 2.134 121 F HA -0.118 4.376 4.527 -0.056 0.000 0.299 121 F C 2.410 178.252 175.800 0.069 0.000 1.097 121 F CA 1.314 59.378 58.000 0.106 0.000 1.264 121 F CB -0.175 38.914 39.000 0.149 0.000 1.001 121 F HN -0.033 8.267 8.300 -0.000 0.000 0.479 122 A N 0.472 123.472 122.820 0.299 0.000 1.933 122 A HA -0.144 4.143 4.320 -0.055 0.000 0.218 122 A C 2.231 179.827 177.584 0.020 0.000 1.175 122 A CA 1.775 53.926 52.037 0.189 0.000 0.628 122 A CB -1.101 18.012 19.000 0.189 0.000 0.814 122 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 123 L N -0.937 120.267 121.223 -0.033 0.000 2.072 123 L HA -0.106 4.201 4.340 -0.055 0.000 0.205 123 L C 2.523 179.263 176.870 -0.216 0.000 1.079 123 L CA 1.117 55.903 54.840 -0.090 0.000 0.752 123 L CB -0.356 41.661 42.059 -0.068 0.000 0.906 123 L HN 0.316 8.546 8.230 -0.000 0.000 0.436 124 E N -0.701 119.246 120.200 -0.422 0.000 2.190 124 E HA -0.035 4.282 4.350 -0.055 0.000 0.191 124 E C -0.085 175.999 176.600 -0.860 0.000 0.978 124 E CA 0.838 56.784 56.400 -0.757 0.000 0.839 124 E CB 0.282 29.262 29.700 -1.200 0.000 0.787 124 E HN 0.447 8.807 8.360 -0.000 0.000 0.473 125 Y N 0.279 120.360 120.300 -0.365 0.000 2.470 125 Y HA 0.258 4.775 4.550 -0.054 0.000 0.352 125 Y C -1.786 173.964 175.900 -0.249 0.000 0.967 125 Y CA -2.446 55.404 58.100 -0.415 0.000 1.121 125 Y CB 0.820 38.785 38.460 -0.824 0.000 1.149 125 Y HN -0.033 8.247 8.280 -0.000 0.000 0.641 126 P HA -0.153 4.267 4.420 -0.000 0.000 0.222 126 P C 0.701 178.041 177.300 0.067 0.000 1.147 126 P CA 1.565 64.685 63.100 0.033 0.000 0.790 126 P CB 0.403 32.111 31.700 0.013 0.000 0.780 127 D N -0.962 119.470 120.400 0.055 0.000 2.349 127 D HA -0.073 4.534 4.640 -0.055 0.000 0.224 127 D C 1.380 177.727 176.300 0.079 0.000 1.029 127 D CA 0.333 54.367 54.000 0.057 0.000 0.879 127 D CB -0.233 40.589 40.800 0.038 0.000 0.906 127 D HN 0.096 8.466 8.370 -0.000 0.000 0.528 128 R N 0.118 120.694 120.500 0.127 0.000 2.397 128 R HA 0.380 4.687 4.340 -0.055 0.000 0.241 128 R C 0.439 176.942 176.300 0.338 0.000 0.914 128 R CA -0.373 55.849 56.100 0.203 0.000 1.071 128 R CB 0.861 31.286 30.300 0.208 0.000 1.116 128 R HN 0.292 8.562 8.270 -0.000 0.000 0.524 129 I N -0.274 120.483 120.570 0.313 0.000 2.562 129 I HA 0.405 4.542 4.170 -0.055 0.000 0.301 129 I C 0.746 176.945 176.117 0.137 0.000 1.003 129 I CA -0.518 60.943 61.300 0.267 0.000 1.127 129 I CB 1.897 40.113 38.000 0.360 0.000 1.304 129 I HN 0.088 8.298 8.210 -0.000 0.000 0.446 130 G N 5.756 114.609 108.800 0.088 0.000 2.964 130 G HA2 0.242 4.169 3.960 -0.055 0.000 0.191 130 G HA3 0.242 4.169 3.960 -0.055 0.000 0.191 130 G C -0.238 174.821 174.900 0.265 0.000 1.978 130 G CA -0.244 44.937 45.100 0.135 0.000 0.861 130 G HN 0.519 8.809 8.290 -0.000 0.000 0.584 131 K N -0.627 120.051 120.400 0.463 0.000 2.090 131 K HA 0.594 4.881 4.320 -0.055 0.000 0.249 131 K C -1.403 175.373 176.600 0.294 0.000 0.995 131 K CA -0.562 55.898 56.287 0.289 0.000 0.914 131 K CB 1.849 34.399 32.500 0.084 0.000 1.057 131 K HN 0.169 8.419 8.250 -0.000 0.000 0.462 132 L N 2.743 124.156 121.223 0.317 0.000 2.349 132 L HA 0.487 4.794 4.340 -0.055 0.000 0.278 132 L C -1.658 175.343 176.870 0.219 0.000 0.996 132 L CA -0.404 54.576 54.840 0.233 0.000 0.825 132 L CB 1.255 43.437 42.059 0.205 0.000 1.243 132 L HN 0.469 8.699 8.230 -0.000 0.000 0.412 133 I N 5.935 126.602 120.570 0.162 0.000 2.436 133 I HA 0.488 4.625 4.170 -0.055 0.000 0.289 133 I C -0.917 175.301 176.117 0.169 0.000 1.010 133 I CA -0.159 61.224 61.300 0.138 0.000 1.098 133 I CB 1.777 39.824 38.000 0.079 0.000 1.266 133 I HN 0.416 8.626 8.210 -0.000 0.000 0.434 134 L N 6.760 128.099 121.223 0.194 0.000 2.381 134 L HA 0.618 4.925 4.340 -0.055 0.000 0.274 134 L C -0.982 175.988 176.870 0.167 0.000 0.988 134 L CA -0.661 54.283 54.840 0.173 0.000 0.824 134 L CB 1.777 43.939 42.059 0.172 0.000 1.263 134 L HN 0.505 8.735 8.230 -0.000 0.000 0.410 135 M N 2.581 122.234 119.600 0.089 0.000 2.023 135 M HA 0.406 4.853 4.480 -0.055 0.000 0.325 135 M C 0.613 176.724 176.300 -0.314 0.000 0.963 135 M CA -0.230 55.036 55.300 -0.056 0.000 0.928 135 M CB 1.619 34.197 32.600 -0.037 0.000 1.429 135 M HN 0.685 8.975 8.290 -0.000 0.000 0.404 136 G N 3.666 111.992 108.800 -0.790 0.000 2.386 136 G HA2 -0.175 3.752 3.960 -0.055 0.000 0.295 136 G HA3 -0.175 3.752 3.960 -0.055 0.000 0.295 136 G C -2.701 172.005 174.900 -0.324 0.000 0.979 136 G CA -0.958 43.330 45.100 -1.354 0.000 1.193 136 G HN 0.376 8.666 8.290 -0.000 0.000 0.508 137 P HA 0.346 4.766 4.420 -0.000 0.000 0.268 137 P C 0.891 178.372 177.300 0.303 0.000 1.205 137 P CA 0.857 64.066 63.100 0.182 0.000 0.771 137 P CB 0.829 32.671 31.700 0.236 0.000 0.858 138 G N 0.891 109.884 108.800 0.323 0.000 2.437 138 G HA2 0.480 4.407 3.960 -0.055 0.000 0.319 138 G HA3 0.480 4.407 3.960 -0.055 0.000 0.319 138 G C 0.592 175.731 174.900 0.399 0.000 1.158 138 G CA -0.432 44.870 45.100 0.337 0.000 0.899 138 G HN 0.799 9.089 8.290 -0.000 0.000 0.502 139 G N -0.826 108.133 108.800 0.264 0.000 2.141 139 G HA2 -0.229 3.698 3.960 -0.055 0.000 0.242 139 G HA3 -0.229 3.698 3.960 -0.055 0.000 0.242 139 G C 0.637 175.686 174.900 0.249 0.000 0.982 139 G CA 0.296 45.533 45.100 0.229 0.000 0.662 139 G HN 0.760 9.050 8.290 -0.000 0.000 0.527 140 L N 1.039 122.402 121.223 0.233 0.000 2.888 140 L HA 0.488 4.795 4.340 -0.055 0.000 0.237 140 L C 1.633 178.462 176.870 -0.069 0.000 1.288 140 L CA 0.417 55.279 54.840 0.037 0.000 1.110 140 L CB -0.676 41.318 42.059 -0.108 0.000 1.441 140 L HN 0.990 9.220 8.230 -0.000 0.000 0.474 141 G N 0.961 109.822 108.800 0.102 0.000 2.681 141 G HA2 -0.203 3.724 3.960 -0.055 0.000 0.220 141 G HA3 -0.203 3.724 3.960 -0.055 0.000 0.220 141 G C -2.752 172.277 174.900 0.215 0.000 1.353 141 G CA -0.902 44.258 45.100 0.100 0.000 0.872 141 G HN 0.187 8.477 8.290 -0.000 0.000 0.557 142 P HA 0.450 4.870 4.420 -0.000 0.000 0.274 142 P C -0.014 177.451 177.300 0.273 0.000 1.237 142 P CA 0.240 63.432 63.100 0.153 0.000 0.793 142 P CB 1.445 33.180 31.700 0.058 0.000 0.977 143 S N 1.109 116.884 115.700 0.125 0.000 2.610 143 S HA 0.247 4.684 4.470 -0.055 0.000 0.273 143 S C 1.410 175.988 174.600 -0.037 0.000 1.274 143 S CA -0.647 57.580 58.200 0.046 0.000 1.023 143 S CB -0.004 63.165 63.200 -0.051 0.000 0.962 143 S HN 0.218 8.528 8.310 -0.000 0.000 0.523 144 M N 3.248 122.770 119.600 -0.130 0.000 2.562 144 M HA 0.134 4.581 4.480 -0.055 0.000 0.257 144 M C 0.102 175.866 176.300 -0.892 0.000 1.099 144 M CA 1.172 56.161 55.300 -0.518 0.000 1.099 144 M CB -1.020 31.182 32.600 -0.662 0.000 1.427 144 M HN 0.746 9.036 8.290 -0.000 0.000 0.489 145 F N -0.933 119.009 119.950 -0.013 0.000 2.754 145 F HA 0.398 4.917 4.527 -0.014 0.000 0.316 145 F C 1.109 176.900 175.800 -0.016 0.000 0.959 145 F CA -0.578 57.412 58.000 -0.016 0.000 1.148 145 F CB -0.326 38.661 39.000 -0.022 0.000 0.951 145 F HN -0.147 8.153 8.300 -0.000 0.000 0.625 146 A N 2.111 125.013 122.820 0.135 0.000 2.276 146 A HA 0.589 4.876 4.320 -0.055 0.000 0.300 146 A C -2.398 175.205 177.584 0.032 0.000 1.235 146 A CA -1.432 50.650 52.037 0.076 0.000 0.867 146 A CB -0.496 18.537 19.000 0.053 0.000 1.137 146 A HN -0.095 8.055 8.150 -0.000 0.000 0.527 147 P HA 0.178 4.598 4.420 -0.000 0.000 0.264 147 P C -0.445 176.856 177.300 0.002 0.000 1.183 147 P CA 0.698 63.803 63.100 0.009 0.000 0.763 147 P CB 0.347 32.052 31.700 0.008 0.000 0.807 148 M N 3.540 123.137 119.600 -0.005 0.000 2.535 148 M HA 0.415 4.862 4.480 -0.055 0.000 0.314 148 M C -2.038 174.248 176.300 -0.024 0.000 1.153 148 M CA -1.908 53.386 55.300 -0.010 0.000 0.924 148 M CB 1.759 34.359 32.600 0.000 0.000 1.710 148 M HN 0.274 8.564 8.290 -0.000 0.000 0.451 149 P HA 0.262 4.682 4.420 -0.000 0.000 0.271 149 P C -0.957 176.327 177.300 -0.026 0.000 1.218 149 P CA -0.091 62.990 63.100 -0.031 0.000 0.780 149 P CB 0.621 32.290 31.700 -0.053 0.000 0.901 150 M N 0.892 120.479 119.600 -0.021 0.000 2.232 150 M HA -0.019 4.428 4.480 -0.055 0.000 0.321 150 M C 1.888 178.127 176.300 -0.102 0.000 1.101 150 M CA 0.227 55.502 55.300 -0.042 0.000 1.181 150 M CB 0.301 32.889 32.600 -0.019 0.000 1.432 150 M HN 0.583 8.873 8.290 -0.000 0.000 0.457 151 E N 1.670 121.802 120.200 -0.114 0.000 2.086 151 E HA -0.236 4.081 4.350 -0.055 0.000 0.200 151 E C 1.628 178.047 176.600 -0.302 0.000 1.012 151 E CA 2.065 58.377 56.400 -0.147 0.000 0.812 151 E CB -0.165 29.474 29.700 -0.103 0.000 0.743 151 E HN 1.002 9.362 8.360 -0.000 0.000 0.453 152 G N 0.975 109.392 108.800 -0.638 0.000 2.422 152 G HA2 -0.199 3.728 3.960 -0.055 0.000 0.218 152 G HA3 -0.199 3.728 3.960 -0.055 0.000 0.218 152 G C 1.521 175.954 174.900 -0.778 0.000 1.146 152 G CA 0.733 44.924 45.100 -1.515 0.000 0.769 152 G HN 0.227 8.517 8.290 -0.000 0.000 0.547 153 I N 1.071 121.441 120.570 -0.332 0.000 2.315 153 I HA -0.070 4.067 4.170 -0.055 0.000 0.248 153 I C 2.541 178.764 176.117 0.176 0.000 1.117 153 I CA 0.942 62.275 61.300 0.055 0.000 1.404 153 I CB -0.935 37.138 38.000 0.122 0.000 1.071 153 I HN 0.213 8.423 8.210 -0.000 0.000 0.419 154 K N 0.529 120.954 120.400 0.042 0.000 2.032 154 K HA -0.157 4.130 4.320 -0.055 0.000 0.209 154 K C 2.192 178.854 176.600 0.103 0.000 1.048 154 K CA 1.233 57.565 56.287 0.075 0.000 0.927 154 K CB -0.267 32.233 32.500 0.001 0.000 0.712 154 K HN 0.262 8.512 8.250 -0.000 0.000 0.441 155 L N 0.906 122.140 121.223 0.017 0.000 2.093 155 L HA -0.154 4.153 4.340 -0.055 0.000 0.208 155 L C 2.458 179.363 176.870 0.058 0.000 1.085 155 L CA 0.613 55.469 54.840 0.026 0.000 0.755 155 L CB -0.276 41.777 42.059 -0.010 0.000 0.904 155 L HN 0.234 8.464 8.230 -0.000 0.000 0.435 156 L N -1.104 120.172 121.223 0.088 0.000 2.046 156 L HA -0.244 4.063 4.340 -0.055 0.000 0.208 156 L C 2.380 179.279 176.870 0.048 0.000 1.077 156 L CA 1.623 56.483 54.840 0.032 0.000 0.747 156 L CB -0.232 41.871 42.059 0.072 0.000 0.896 156 L HN 0.030 8.260 8.230 -0.000 0.000 0.432 157 F N 0.314 120.365 119.950 0.167 0.000 2.186 157 F HA -0.169 4.324 4.527 -0.057 0.000 0.299 157 F C 2.612 178.506 175.800 0.156 0.000 1.090 157 F CA 1.728 59.853 58.000 0.209 0.000 1.307 157 F CB -0.315 38.770 39.000 0.142 0.000 1.019 157 F HN 0.046 8.346 8.300 -0.000 0.000 0.489 158 K N 0.385 120.929 120.400 0.240 0.000 2.057 158 K HA -0.213 4.074 4.320 -0.055 0.000 0.207 158 K C 2.122 178.780 176.600 0.096 0.000 1.049 158 K CA 1.353 57.726 56.287 0.144 0.000 0.931 158 K CB -0.425 32.128 32.500 0.088 0.000 0.714 158 K HN 0.212 8.462 8.250 -0.000 0.000 0.440 159 L N 0.621 121.863 121.223 0.032 0.000 2.056 159 L HA -0.143 4.164 4.340 -0.055 0.000 0.207 159 L C 1.879 178.713 176.870 -0.060 0.000 1.078 159 L CA 1.627 56.439 54.840 -0.046 0.000 0.749 159 L CB -0.577 41.393 42.059 -0.148 0.000 0.901 159 L HN 0.233 8.463 8.230 -0.000 0.000 0.433 160 Y N -0.703 119.568 120.300 -0.048 0.000 2.165 160 Y HA -0.264 4.252 4.550 -0.056 0.000 0.286 160 Y C 2.479 178.400 175.900 0.035 0.000 1.155 160 Y CA 1.620 59.691 58.100 -0.049 0.000 1.164 160 Y CB -0.349 38.045 38.460 -0.111 0.000 0.978 160 Y HN 0.328 8.608 8.280 -0.000 0.000 0.513 161 A N -0.522 122.445 122.820 0.245 0.000 1.975 161 A HA -0.011 4.276 4.320 -0.055 0.000 0.215 161 A C 0.712 178.375 177.584 0.132 0.000 1.170 161 A CA 0.931 53.081 52.037 0.189 0.000 0.656 161 A CB -0.062 19.053 19.000 0.192 0.000 0.821 161 A HN 0.398 8.548 8.150 -0.000 0.000 0.449 162 E N 0.563 120.831 120.200 0.115 0.000 3.374 162 E HA 0.206 4.523 4.350 -0.055 0.000 0.223 162 E C -2.827 173.832 176.600 0.098 0.000 1.210 162 E CA -2.002 54.455 56.400 0.095 0.000 0.987 162 E CB 1.299 31.046 29.700 0.078 0.000 1.322 162 E HN 0.326 8.686 8.360 -0.000 0.000 0.404 163 P HA -0.009 4.411 4.420 -0.000 0.000 0.267 163 P C -0.484 176.993 177.300 0.295 0.000 1.205 163 P CA 0.184 63.400 63.100 0.193 0.000 0.765 163 P CB 1.222 33.025 31.700 0.173 0.000 0.828 164 S N 1.952 117.778 115.700 0.209 0.000 2.565 164 S HA 0.199 4.636 4.470 -0.055 0.000 0.269 164 S C 0.327 174.612 174.600 -0.525 0.000 1.153 164 S CA -0.654 57.519 58.200 -0.044 0.000 0.835 164 S CB 0.805 63.989 63.200 -0.027 0.000 1.122 164 S HN 0.344 8.654 8.310 -0.000 0.000 0.462 165 Y N 1.338 120.951 120.300 -1.146 0.000 2.224 165 Y HA -0.022 4.496 4.550 -0.054 0.000 0.289 165 Y C 2.261 177.861 175.900 -0.501 0.000 1.146 165 Y CA 2.249 59.664 58.100 -1.141 0.000 1.182 165 Y CB -0.082 37.693 38.460 -1.143 0.000 0.983 165 Y HN 0.776 9.056 8.280 -0.000 0.000 0.524 166 E N -0.609 119.455 120.200 -0.226 0.000 2.051 166 E HA -0.158 4.159 4.350 -0.055 0.000 0.192 166 E C 2.208 178.707 176.600 -0.168 0.000 0.991 166 E CA 1.823 58.130 56.400 -0.155 0.000 0.799 166 E CB -0.665 28.992 29.700 -0.071 0.000 0.748 166 E HN 0.440 8.800 8.360 -0.000 0.000 0.449 167 T N 2.073 116.540 114.554 -0.144 0.000 2.821 167 T HA -0.132 4.185 4.350 -0.055 0.000 0.267 167 T C 1.903 176.520 174.700 -0.139 0.000 1.046 167 T CA 0.878 62.917 62.100 -0.102 0.000 1.139 167 T CB -0.259 68.579 68.868 -0.050 0.000 0.871 167 T HN 0.039 8.279 8.240 -0.000 0.000 0.454 168 L N 1.628 122.723 121.223 -0.213 0.000 2.012 168 L HA -0.024 4.283 4.340 -0.055 0.000 0.210 168 L C 2.314 179.026 176.870 -0.263 0.000 1.073 168 L CA 1.918 56.613 54.840 -0.242 0.000 0.748 168 L CB -0.569 41.320 42.059 -0.283 0.000 0.891 168 L HN 0.064 8.294 8.230 -0.000 0.000 0.431 169 K N -1.274 118.923 120.400 -0.339 0.000 2.026 169 K HA -0.214 4.073 4.320 -0.055 0.000 0.208 169 K C 2.122 178.648 176.600 -0.123 0.000 1.048 169 K CA 1.564 57.697 56.287 -0.257 0.000 0.929 169 K CB -0.103 32.234 32.500 -0.273 0.000 0.713 169 K HN 0.406 8.656 8.250 -0.000 0.000 0.439 170 Q N 0.351 120.091 119.800 -0.100 0.000 2.096 170 Q HA -0.215 4.092 4.340 -0.055 0.000 0.204 170 Q C 2.016 178.016 176.000 -0.000 0.000 0.982 170 Q CA 1.681 57.460 55.803 -0.039 0.000 0.850 170 Q CB -0.279 28.438 28.738 -0.035 0.000 0.901 170 Q HN 0.471 8.741 8.270 -0.000 0.000 0.422 171 M N -0.120 119.467 119.600 -0.022 0.000 2.132 171 M HA -0.134 4.313 4.480 -0.055 0.000 0.263 171 M C 1.922 178.281 176.300 0.099 0.000 1.065 171 M CA 1.200 56.526 55.300 0.044 0.000 1.122 171 M CB 0.015 32.595 32.600 -0.034 0.000 1.365 171 M HN 0.149 8.439 8.290 -0.000 0.000 0.411 172 L N -0.179 121.043 121.223 -0.002 0.000 2.131 172 L HA -0.227 4.080 4.340 -0.055 0.000 0.210 172 L C 2.398 179.366 176.870 0.162 0.000 1.092 172 L CA 1.226 56.105 54.840 0.065 0.000 0.759 172 L CB -0.646 41.398 42.059 -0.025 0.000 0.903 172 L HN 0.427 8.657 8.230 -0.000 0.000 0.435 173 Q N -0.748 119.114 119.800 0.103 0.000 2.170 173 Q HA -0.154 4.153 4.340 -0.055 0.000 0.203 173 Q C 2.264 178.359 176.000 0.159 0.000 0.976 173 Q CA 1.238 57.102 55.803 0.102 0.000 0.858 173 Q CB 0.006 28.773 28.738 0.049 0.000 0.907 173 Q HN 0.388 8.658 8.270 -0.000 0.000 0.433 174 V N -0.303 119.747 119.914 0.227 0.000 2.649 174 V HA -0.150 3.938 4.120 -0.055 0.000 0.248 174 V C 1.691 178.113 176.094 0.547 0.000 1.054 174 V CA 0.984 63.473 62.300 0.314 0.000 1.073 174 V CB -0.420 31.552 31.823 0.248 0.000 0.699 174 V HN 0.279 8.469 8.190 -0.000 0.000 0.463 175 F N 0.725 120.881 119.950 0.344 0.000 2.171 175 F HA 0.042 4.536 4.527 -0.054 0.000 0.300 175 F C 0.959 176.852 175.800 0.156 0.000 1.090 175 F CA 1.050 59.108 58.000 0.097 0.000 1.293 175 F CB 0.101 38.993 39.000 -0.180 0.000 1.013 175 F HN -0.007 8.293 8.300 -0.000 0.000 0.486 176 L N -1.041 120.334 121.223 0.253 0.000 2.325 176 L HA 0.142 4.449 4.340 -0.055 0.000 0.278 176 L C 0.668 177.671 176.870 0.222 0.000 1.023 176 L CA -0.803 54.161 54.840 0.208 0.000 0.811 176 L CB 1.435 43.649 42.059 0.259 0.000 1.249 176 L HN -0.011 8.219 8.230 -0.000 0.000 0.431 177 Y N 1.138 121.513 120.300 0.125 0.000 2.153 177 Y HA -0.089 4.428 4.550 -0.054 0.000 0.289 177 Y C 1.177 177.138 175.900 0.101 0.000 1.127 177 Y CA 1.059 59.230 58.100 0.117 0.000 1.131 177 Y CB 0.304 38.836 38.460 0.120 0.000 0.995 177 Y HN 0.569 8.849 8.280 -0.000 0.000 0.505 178 D N 0.758 121.267 120.400 0.180 0.000 2.352 178 D HA 0.011 4.618 4.640 -0.055 0.000 0.245 178 D C 0.632 176.967 176.300 0.058 0.000 1.224 178 D CA 0.041 54.085 54.000 0.074 0.000 0.879 178 D CB 0.956 41.830 40.800 0.123 0.000 1.057 178 D HN 0.343 8.713 8.370 -0.000 0.000 0.491 179 Q N 1.790 121.586 119.800 -0.006 0.000 2.234 179 Q HA -0.138 4.169 4.340 -0.055 0.000 0.206 179 Q C 1.743 177.775 176.000 0.053 0.000 0.980 179 Q CA 0.947 56.765 55.803 0.025 0.000 0.869 179 Q CB -0.424 28.308 28.738 -0.010 0.000 0.912 179 Q HN 0.607 8.877 8.270 -0.000 0.000 0.436 180 S N -0.403 115.323 115.700 0.044 0.000 2.603 180 S HA 0.023 4.460 4.470 -0.055 0.000 0.229 180 S C 1.719 176.367 174.600 0.078 0.000 0.972 180 S CA 0.178 58.407 58.200 0.048 0.000 0.935 180 S CB -0.253 62.961 63.200 0.024 0.000 0.769 180 S HN 0.309 8.619 8.310 -0.000 0.000 0.536 181 L N 0.424 121.723 121.223 0.127 0.000 2.509 181 L HA 0.364 4.672 4.340 -0.055 0.000 0.222 181 L C 0.410 177.471 176.870 0.318 0.000 1.123 181 L CA 0.274 55.252 54.840 0.232 0.000 0.856 181 L CB -0.193 42.069 42.059 0.338 0.000 0.985 181 L HN 0.327 8.557 8.230 -0.000 0.000 0.456 182 I N 1.170 121.862 120.570 0.203 0.000 2.227 182 I HA 0.026 4.163 4.170 -0.055 0.000 0.297 182 I C 0.862 177.056 176.117 0.129 0.000 1.173 182 I CA -0.223 61.173 61.300 0.160 0.000 1.356 182 I CB -0.036 38.023 38.000 0.098 0.000 1.485 182 I HN 0.126 8.336 8.210 -0.000 0.000 0.604 183 T N -0.038 114.615 114.554 0.165 0.000 2.849 183 T HA 0.221 4.538 4.350 -0.055 0.000 0.284 183 T C 1.180 175.955 174.700 0.124 0.000 1.004 183 T CA -0.743 61.440 62.100 0.138 0.000 1.021 183 T CB 1.702 70.667 68.868 0.161 0.000 1.013 183 T HN 0.349 8.589 8.240 -0.000 0.000 0.527 184 E N 0.438 120.707 120.200 0.116 0.000 2.118 184 E HA -0.183 4.134 4.350 -0.055 0.000 0.195 184 E C 1.891 178.576 176.600 0.141 0.000 0.992 184 E CA 1.385 57.864 56.400 0.133 0.000 0.804 184 E CB -0.225 29.543 29.700 0.113 0.000 0.741 184 E HN 0.945 9.305 8.360 -0.000 0.000 0.458 185 E N 0.573 120.852 120.200 0.130 0.000 2.058 185 E HA -0.202 4.115 4.350 -0.055 0.000 0.194 185 E C 2.189 178.873 176.600 0.140 0.000 0.997 185 E CA 0.840 57.317 56.400 0.129 0.000 0.801 185 E CB -0.062 29.715 29.700 0.127 0.000 0.746 185 E HN 0.096 8.456 8.360 -0.000 0.000 0.450 186 L N 0.796 122.116 121.223 0.162 0.000 1.994 186 L HA -0.150 4.157 4.340 -0.055 0.000 0.208 186 L C 2.214 179.133 176.870 0.080 0.000 1.071 186 L CA 1.593 56.520 54.840 0.145 0.000 0.745 186 L CB -0.537 41.620 42.059 0.163 0.000 0.892 186 L HN 0.242 8.472 8.230 -0.000 0.000 0.431 187 L N -0.849 120.412 121.223 0.063 0.000 2.012 187 L HA -0.295 4.013 4.340 -0.055 0.000 0.210 187 L C 2.693 179.663 176.870 0.166 0.000 1.073 187 L CA 1.783 56.621 54.840 -0.004 0.000 0.748 187 L CB -0.585 41.423 42.059 -0.086 0.000 0.891 187 L HN 0.404 8.634 8.230 -0.000 0.000 0.431 188 Q N -0.678 119.270 119.800 0.248 0.000 2.124 188 Q HA -0.145 4.162 4.340 -0.055 0.000 0.202 188 Q C 2.272 178.406 176.000 0.223 0.000 0.977 188 Q CA 1.393 57.377 55.803 0.302 0.000 0.850 188 Q CB -0.354 28.509 28.738 0.207 0.000 0.901 188 Q HN 0.619 8.889 8.270 -0.000 0.000 0.429 189 G N 0.606 109.492 108.800 0.143 0.000 2.404 189 G HA2 -0.222 3.706 3.960 -0.055 0.000 0.215 189 G HA3 -0.222 3.706 3.960 -0.055 0.000 0.215 189 G C 1.477 176.419 174.900 0.069 0.000 1.174 189 G CA 0.229 45.384 45.100 0.091 0.000 0.780 189 G HN 0.083 8.373 8.290 -0.000 0.000 0.537 190 R N -0.442 120.093 120.500 0.057 0.000 2.092 190 R HA -0.034 4.273 4.340 -0.055 0.000 0.231 190 R C 2.169 178.524 176.300 0.091 0.000 1.119 190 R CA 0.699 56.800 56.100 0.002 0.000 0.970 190 R CB -0.828 29.417 30.300 -0.091 0.000 0.864 190 R HN 0.666 8.936 8.270 -0.000 0.000 0.440 191 W N 2.036 123.315 121.300 -0.034 0.000 2.355 191 W HA -0.200 4.427 4.660 -0.056 0.000 0.309 191 W C 1.791 178.317 176.519 0.011 0.000 1.206 191 W CA 1.015 58.372 57.345 0.021 0.000 1.284 191 W CB 0.066 29.639 29.460 0.188 0.000 1.145 191 W HN 0.133 8.313 8.180 -0.000 0.000 0.502 192 E N 0.931 121.125 120.200 -0.011 0.000 2.070 192 E HA -0.232 4.085 4.350 -0.055 0.000 0.197 192 E C 2.128 178.618 176.600 -0.184 0.000 1.004 192 E CA 1.896 58.210 56.400 -0.143 0.000 0.805 192 E CB -0.503 29.176 29.700 -0.035 0.000 0.744 192 E HN 0.266 8.626 8.360 -0.000 0.000 0.451 193 A N 0.675 123.426 122.820 -0.114 0.000 1.969 193 A HA -0.109 4.178 4.320 -0.055 0.000 0.218 193 A C 2.363 179.854 177.584 -0.155 0.000 1.169 193 A CA 1.115 53.090 52.037 -0.102 0.000 0.635 193 A CB -0.493 18.475 19.000 -0.054 0.000 0.810 193 A HN 0.290 8.440 8.150 -0.000 0.000 0.445 194 I N -0.699 119.736 120.570 -0.225 0.000 2.202 194 I HA -0.273 3.864 4.170 -0.055 0.000 0.242 194 I C 2.744 178.615 176.117 -0.411 0.000 1.091 194 I CA 1.306 62.430 61.300 -0.292 0.000 1.368 194 I CB -0.329 37.506 38.000 -0.275 0.000 1.058 194 I HN 0.395 8.605 8.210 -0.000 0.000 0.410 195 Q N 0.080 119.505 119.800 -0.626 0.000 2.167 195 Q HA -0.200 4.107 4.340 -0.055 0.000 0.202 195 Q C 2.287 178.095 176.000 -0.319 0.000 0.970 195 Q CA 1.066 56.527 55.803 -0.570 0.000 0.855 195 Q CB -0.146 28.175 28.738 -0.696 0.000 0.911 195 Q HN 0.408 8.678 8.270 -0.000 0.000 0.438 196 R N 0.243 120.588 120.500 -0.258 0.000 2.193 196 R HA -0.049 4.258 4.340 -0.055 0.000 0.213 196 R C 0.185 176.380 176.300 -0.174 0.000 1.055 196 R CA 0.757 56.749 56.100 -0.181 0.000 0.995 196 R CB 0.542 30.757 30.300 -0.141 0.000 0.893 196 R HN 0.151 8.421 8.270 -0.000 0.000 0.459 197 Q N -0.340 119.350 119.800 -0.184 0.000 3.048 197 Q HA 0.185 4.492 4.340 -0.055 0.000 0.337 197 Q C -2.233 173.658 176.000 -0.182 0.000 0.845 197 Q CA -1.503 54.160 55.803 -0.234 0.000 0.942 197 Q CB 1.817 30.406 28.738 -0.248 0.000 1.454 197 Q HN 0.215 8.485 8.270 -0.000 0.000 0.392 198 P HA -0.225 4.195 4.420 -0.000 0.000 0.218 198 P C 1.226 178.497 177.300 -0.048 0.000 1.148 198 P CA 1.436 64.483 63.100 -0.089 0.000 0.822 198 P CB 0.322 31.973 31.700 -0.082 0.000 0.784 199 E N 0.698 120.841 120.200 -0.094 0.000 2.160 199 E HA -0.242 4.076 4.350 -0.055 0.000 0.195 199 E C 1.811 178.434 176.600 0.037 0.000 0.991 199 E CA 1.502 57.874 56.400 -0.048 0.000 0.810 199 E CB -1.711 27.939 29.700 -0.085 0.000 0.742 199 E HN 0.456 8.816 8.360 -0.000 0.000 0.466 200 H N -0.078 118.984 119.070 -0.013 0.000 2.387 200 H HA -0.067 4.456 4.556 -0.054 0.000 0.299 200 H C 1.928 177.275 175.328 0.032 0.000 1.090 200 H CA 0.965 56.994 56.048 -0.032 0.000 1.332 200 H CB 0.209 29.898 29.762 -0.122 0.000 1.386 200 H HN 0.060 8.340 8.280 -0.000 0.000 0.516 201 L N 1.152 122.499 121.223 0.206 0.000 1.994 201 L HA -0.173 4.134 4.340 -0.055 0.000 0.208 201 L C 2.429 179.436 176.870 0.228 0.000 1.071 201 L CA 1.643 56.677 54.840 0.324 0.000 0.745 201 L CB -0.875 41.316 42.059 0.219 0.000 0.892 201 L HN 0.188 8.418 8.230 -0.000 0.000 0.431 202 K N -0.364 120.122 120.400 0.143 0.000 2.044 202 K HA -0.222 4.065 4.320 -0.055 0.000 0.210 202 K C 1.894 178.547 176.600 0.089 0.000 1.049 202 K CA 1.749 58.099 56.287 0.104 0.000 0.927 202 K CB -0.045 32.498 32.500 0.070 0.000 0.713 202 K HN 0.320 8.570 8.250 -0.000 0.000 0.443 203 N N 0.276 119.035 118.700 0.098 0.000 2.188 203 N HA -0.144 4.564 4.740 -0.055 0.000 0.184 203 N C 1.567 177.103 175.510 0.044 0.000 1.018 203 N CA 0.883 53.982 53.050 0.081 0.000 0.858 203 N CB -0.437 38.122 38.487 0.119 0.000 0.989 203 N HN 0.187 8.567 8.380 -0.000 0.000 0.426 204 F N 1.579 121.450 119.950 -0.131 0.000 2.134 204 F HA -0.068 4.425 4.527 -0.057 0.000 0.299 204 F C 2.036 177.701 175.800 -0.226 0.000 1.097 204 F CA 1.074 58.910 58.000 -0.273 0.000 1.264 204 F CB -0.157 38.405 39.000 -0.730 0.000 1.001 204 F HN -0.053 8.247 8.300 -0.000 0.000 0.479 205 L N -0.269 120.950 121.223 -0.006 0.000 2.056 205 L HA -0.233 4.074 4.340 -0.055 0.000 0.207 205 L C 2.406 179.297 176.870 0.034 0.000 1.078 205 L CA 1.340 56.221 54.840 0.068 0.000 0.749 205 L CB -0.649 41.488 42.059 0.131 0.000 0.901 205 L HN 0.159 8.389 8.230 -0.000 0.000 0.433 206 I N -0.804 119.775 120.570 0.016 0.000 2.226 206 I HA -0.290 3.847 4.170 -0.055 0.000 0.245 206 I C 2.581 178.684 176.117 -0.023 0.000 1.100 206 I CA 1.216 62.521 61.300 0.009 0.000 1.374 206 I CB -0.288 37.723 38.000 0.018 0.000 1.057 206 I HN 0.169 8.379 8.210 -0.000 0.000 0.413 207 S N 0.739 116.393 115.700 -0.078 0.000 2.382 207 S HA -0.142 4.295 4.470 -0.055 0.000 0.228 207 S C 2.219 176.760 174.600 -0.099 0.000 1.027 207 S CA 1.284 59.419 58.200 -0.108 0.000 0.991 207 S CB -0.333 62.759 63.200 -0.181 0.000 0.823 207 S HN 0.555 8.865 8.310 -0.000 0.000 0.469 208 A N 1.137 123.874 122.820 -0.138 0.000 1.969 208 A HA -0.102 4.186 4.320 -0.055 0.000 0.218 208 A C 2.077 179.679 177.584 0.029 0.000 1.169 208 A CA 1.067 53.091 52.037 -0.021 0.000 0.635 208 A CB -0.428 18.654 19.000 0.136 0.000 0.810 208 A HN 0.526 8.676 8.150 -0.000 0.000 0.445 209 Q N -0.346 119.466 119.800 0.020 0.000 2.123 209 Q HA -0.082 4.225 4.340 -0.055 0.000 0.199 209 Q C 1.929 177.935 176.000 0.010 0.000 0.966 209 Q CA 1.394 57.205 55.803 0.013 0.000 0.845 209 Q CB -0.114 28.633 28.738 0.016 0.000 0.907 209 Q HN 0.619 8.889 8.270 -0.000 0.000 0.439 210 K N 0.077 120.483 120.400 0.009 0.000 2.097 210 K HA 0.011 4.298 4.320 -0.055 0.000 0.205 210 K C 0.374 176.991 176.600 0.027 0.000 1.050 210 K CA 0.979 57.272 56.287 0.011 0.000 0.938 210 K CB 0.289 32.790 32.500 0.001 0.000 0.718 210 K HN 0.001 8.251 8.250 -0.000 0.000 0.442 211 A N 2.139 124.989 122.820 0.051 0.000 2.815 211 A HA 0.360 4.647 4.320 -0.055 0.000 0.318 211 A C -2.737 174.939 177.584 0.153 0.000 1.186 211 A CA -1.512 50.588 52.037 0.105 0.000 0.754 211 A CB 0.567 19.640 19.000 0.122 0.000 1.151 211 A HN -0.111 8.039 8.150 -0.000 0.000 0.452 212 P HA 0.077 4.497 4.420 -0.000 0.000 0.271 212 P C 1.252 178.553 177.300 0.002 0.000 1.233 212 P CA -0.489 62.628 63.100 0.028 0.000 0.789 212 P CB 0.687 32.385 31.700 -0.004 0.000 0.951 213 L N 2.093 123.209 121.223 -0.178 0.000 2.129 213 L HA -0.230 4.077 4.340 -0.055 0.000 0.212 213 L C 2.153 178.946 176.870 -0.128 0.000 1.087 213 L CA 2.418 57.005 54.840 -0.422 0.000 0.757 213 L CB -1.586 40.253 42.059 -0.367 0.000 0.896 213 L HN 0.445 8.675 8.230 -0.000 0.000 0.434 214 S N -2.179 113.511 115.700 -0.017 0.000 2.419 214 S HA -0.220 4.217 4.470 -0.055 0.000 0.235 214 S C 1.917 176.589 174.600 0.120 0.000 1.019 214 S CA 1.474 59.703 58.200 0.047 0.000 0.982 214 S CB -1.429 61.789 63.200 0.030 0.000 0.789 214 S HN 0.680 8.990 8.310 -0.000 0.000 0.490 215 T N -3.487 111.175 114.554 0.180 0.000 3.035 215 T HA 0.016 4.333 4.350 -0.055 0.000 0.268 215 T C 1.054 175.943 174.700 0.316 0.000 1.109 215 T CA 0.367 62.598 62.100 0.219 0.000 1.119 215 T CB -0.615 68.375 68.868 0.203 0.000 0.900 215 T HN 0.558 8.798 8.240 -0.000 0.000 0.503 216 W N 1.914 123.241 121.300 0.046 0.000 3.047 216 W HA 0.393 5.021 4.660 -0.054 0.000 0.250 216 W C 0.429 176.981 176.519 0.056 0.000 1.314 216 W CA -1.366 56.014 57.345 0.058 0.000 1.540 216 W CB -0.667 28.844 29.460 0.085 0.000 1.127 216 W HN 0.223 8.403 8.180 -0.000 0.000 0.679 217 D N 0.775 121.329 120.400 0.256 0.000 2.359 217 D HA 0.068 4.675 4.640 -0.055 0.000 0.250 217 D C 0.983 177.348 176.300 0.109 0.000 1.264 217 D CA 0.165 54.261 54.000 0.159 0.000 0.911 217 D CB 0.943 41.806 40.800 0.106 0.000 1.056 217 D HN 0.040 8.410 8.370 -0.000 0.000 0.499 218 V N 1.347 121.323 119.914 0.103 0.000 3.342 218 V HA 0.095 4.182 4.120 -0.055 0.000 0.322 218 V C 1.727 177.852 176.094 0.052 0.000 1.370 218 V CA -0.062 62.279 62.300 0.067 0.000 1.170 218 V CB -0.365 31.497 31.823 0.064 0.000 1.101 218 V HN 0.358 8.549 8.190 -0.000 0.000 0.442 219 T N 2.100 116.680 114.554 0.044 0.000 2.680 219 T HA -0.265 4.053 4.350 -0.055 0.000 0.268 219 T C 2.061 176.778 174.700 0.029 0.000 1.033 219 T CA 2.599 64.716 62.100 0.028 0.000 1.152 219 T CB -0.385 68.485 68.868 0.003 0.000 0.859 219 T HN 0.851 9.091 8.240 -0.000 0.000 0.452 220 A N 0.995 123.830 122.820 0.024 0.000 2.070 220 A HA -0.046 4.241 4.320 -0.055 0.000 0.220 220 A C 2.210 179.806 177.584 0.020 0.000 1.159 220 A CA 1.076 53.124 52.037 0.019 0.000 0.656 220 A CB -0.302 18.707 19.000 0.014 0.000 0.800 220 A HN 0.455 8.605 8.150 -0.000 0.000 0.453 221 R N -0.804 119.710 120.500 0.023 0.000 2.362 221 R HA 0.319 4.626 4.340 -0.055 0.000 0.227 221 R C 1.180 177.497 176.300 0.030 0.000 0.905 221 R CA -0.132 55.980 56.100 0.019 0.000 1.067 221 R CB -0.105 30.201 30.300 0.009 0.000 1.078 221 R HN 0.449 8.719 8.270 -0.000 0.000 0.516 222 L N -0.155 121.093 121.223 0.041 0.000 2.187 222 L HA -0.098 4.209 4.340 -0.055 0.000 0.213 222 L C 2.322 179.225 176.870 0.054 0.000 1.100 222 L CA 1.401 56.273 54.840 0.055 0.000 0.765 222 L CB -0.579 41.520 42.059 0.067 0.000 0.904 222 L HN 0.322 8.552 8.230 -0.000 0.000 0.437 223 G N -0.395 108.434 108.800 0.047 0.000 2.498 223 G HA2 -0.208 3.719 3.960 -0.055 0.000 0.219 223 G HA3 -0.208 3.719 3.960 -0.055 0.000 0.219 223 G C 1.371 176.294 174.900 0.038 0.000 1.119 223 G CA 0.358 45.486 45.100 0.045 0.000 0.766 223 G HN 0.470 8.760 8.290 -0.000 0.000 0.552 224 E N -0.395 119.824 120.200 0.032 0.000 2.285 224 E HA 0.094 4.411 4.350 -0.055 0.000 0.194 224 E C 0.492 177.112 176.600 0.034 0.000 0.997 224 E CA -0.213 56.201 56.400 0.024 0.000 0.845 224 E CB 0.178 29.884 29.700 0.010 0.000 0.782 224 E HN 0.410 8.770 8.360 -0.000 0.000 0.491 225 I N 2.232 122.830 120.570 0.047 0.000 2.505 225 I HA -0.037 4.100 4.170 -0.055 0.000 0.287 225 I C 1.089 177.247 176.117 0.068 0.000 1.104 225 I CA 0.451 61.788 61.300 0.063 0.000 1.387 225 I CB 0.653 38.701 38.000 0.080 0.000 1.404 225 I HN -0.055 8.155 8.210 -0.000 0.000 0.528 226 K N 4.846 125.287 120.400 0.068 0.000 2.361 226 K HA 0.241 4.528 4.320 -0.055 0.000 0.194 226 K C 0.802 177.454 176.600 0.087 0.000 1.032 226 K CA -0.112 56.216 56.287 0.068 0.000 1.048 226 K CB 0.444 32.977 32.500 0.055 0.000 0.842 226 K HN 0.702 8.952 8.250 -0.000 0.000 0.526 227 A N 2.341 125.226 122.820 0.109 0.000 2.511 227 A HA 0.038 4.325 4.320 -0.055 0.000 0.242 227 A C -0.323 177.357 177.584 0.159 0.000 1.069 227 A CA 0.045 52.164 52.037 0.138 0.000 0.763 227 A CB 0.034 19.134 19.000 0.167 0.000 1.001 227 A HN 0.160 8.310 8.150 -0.000 0.000 0.498 228 K N 1.597 122.100 120.400 0.172 0.000 2.451 228 K HA 0.248 4.535 4.320 -0.055 0.000 0.280 228 K C -0.332 176.531 176.600 0.439 0.000 1.020 228 K CA 0.712 57.151 56.287 0.254 0.000 1.008 228 K CB 0.327 32.932 32.500 0.175 0.000 0.917 228 K HN 0.678 8.928 8.250 -0.000 0.000 0.478 229 T N 3.040 117.817 114.554 0.372 0.000 2.861 229 T HA 0.366 4.683 4.350 -0.055 0.000 0.287 229 T C -1.325 173.374 174.700 -0.000 0.000 1.003 229 T CA -0.614 61.622 62.100 0.226 0.000 0.977 229 T CB 0.565 69.515 68.868 0.137 0.000 0.996 229 T HN 0.382 8.622 8.240 -0.000 0.000 0.448 230 F N 3.805 123.516 119.950 -0.400 0.000 2.460 230 F HA 0.674 5.172 4.527 -0.049 0.000 0.341 230 F C -1.078 174.584 175.800 -0.230 0.000 1.130 230 F CA -1.046 56.589 58.000 -0.609 0.000 0.962 230 F CB 0.590 38.799 39.000 -1.320 0.000 1.171 230 F HN 0.434 8.733 8.300 -0.000 0.000 0.436 231 I N 5.278 125.718 120.570 -0.217 0.000 2.377 231 I HA 0.418 4.555 4.170 -0.055 0.000 0.293 231 I C -0.272 175.881 176.117 0.061 0.000 0.987 231 I CA -0.360 60.966 61.300 0.043 0.000 1.185 231 I CB 2.001 40.051 38.000 0.082 0.000 1.341 231 I HN 0.492 8.702 8.210 -0.000 0.000 0.455 232 T N 4.775 119.485 114.554 0.261 0.000 2.887 232 T HA 0.463 4.780 4.350 -0.055 0.000 0.288 232 T C -1.318 173.560 174.700 0.297 0.000 1.021 232 T CA -0.543 61.736 62.100 0.299 0.000 1.000 232 T CB 1.663 70.836 68.868 0.508 0.000 1.034 232 T HN 0.419 8.659 8.240 -0.000 0.000 0.467 233 W N 0.843 122.191 121.300 0.080 0.000 3.127 233 W HA 0.545 5.199 4.660 -0.009 0.000 0.330 233 W C -0.066 176.515 176.519 0.103 0.000 1.187 233 W CA -0.970 56.423 57.345 0.079 0.000 1.198 233 W CB 1.996 31.482 29.460 0.044 0.000 1.408 233 W HN 0.883 9.063 8.180 -0.000 0.000 0.529 234 G N 2.852 111.801 108.800 0.249 0.000 2.355 234 G HA2 0.154 4.081 3.960 -0.055 0.000 0.276 234 G HA3 0.154 4.081 3.960 -0.055 0.000 0.276 234 G C 0.718 175.791 174.900 0.290 0.000 1.198 234 G CA -0.381 44.853 45.100 0.224 0.000 0.876 234 G HN 0.679 8.969 8.290 -0.000 0.000 0.478 235 R N 1.470 122.060 120.500 0.150 0.000 2.159 235 R HA -0.088 4.219 4.340 -0.055 0.000 0.237 235 R C 0.220 176.593 176.300 0.121 0.000 1.131 235 R CA 1.510 57.664 56.100 0.090 0.000 0.982 235 R CB 0.159 30.451 30.300 -0.014 0.000 0.868 235 R HN 0.583 8.853 8.270 -0.000 0.000 0.453 236 D N 0.522 121.006 120.400 0.140 0.000 2.643 236 D HA 0.010 4.617 4.640 -0.055 0.000 0.244 236 D C -0.725 175.737 176.300 0.271 0.000 1.257 236 D CA -0.126 53.992 54.000 0.198 0.000 0.831 236 D CB 0.258 41.194 40.800 0.227 0.000 1.043 236 D HN 0.131 8.501 8.370 -0.000 0.000 0.488 237 D N 1.218 121.802 120.400 0.307 0.000 2.339 237 D HA 0.059 4.666 4.640 -0.055 0.000 0.256 237 D C 0.781 177.314 176.300 0.388 0.000 1.214 237 D CA -0.082 54.146 54.000 0.380 0.000 0.877 237 D CB 0.665 41.738 40.800 0.455 0.000 1.111 237 D HN -0.004 8.366 8.370 -0.000 0.000 0.478 238 R N 2.952 123.711 120.500 0.431 0.000 2.388 238 R HA 0.157 4.464 4.340 -0.055 0.000 0.247 238 R C 0.657 177.033 176.300 0.126 0.000 0.931 238 R CA 0.015 56.268 56.100 0.254 0.000 1.082 238 R CB 0.411 30.813 30.300 0.170 0.000 1.135 238 R HN 0.432 8.702 8.270 -0.000 0.000 0.525 239 F N -1.010 119.044 119.950 0.172 0.000 2.592 239 F HA 0.193 4.685 4.527 -0.058 0.000 0.280 239 F C 0.477 176.347 175.800 0.116 0.000 1.083 239 F CA -0.275 57.792 58.000 0.112 0.000 1.365 239 F CB 1.005 40.025 39.000 0.032 0.000 1.100 239 F HN -0.312 7.988 8.300 -0.000 0.000 0.633 240 V N 1.893 122.050 119.914 0.406 0.000 2.638 240 V HA 0.354 4.441 4.120 -0.055 0.000 0.306 240 V C -2.554 173.878 176.094 0.564 0.000 1.052 240 V CA -2.142 60.413 62.300 0.424 0.000 0.885 240 V CB 1.841 33.924 31.823 0.434 0.000 0.999 240 V HN -0.180 8.010 8.190 -0.000 0.000 0.424 241 P HA 0.154 4.574 4.420 -0.000 0.000 0.281 241 P C 0.716 177.964 177.300 -0.087 0.000 1.252 241 P CA -0.236 62.911 63.100 0.078 0.000 0.778 241 P CB 1.698 33.272 31.700 -0.211 0.000 0.895 242 L N 4.242 125.350 121.223 -0.193 0.000 2.089 242 L HA -0.216 4.091 4.340 -0.055 0.000 0.213 242 L C 1.863 178.319 176.870 -0.690 0.000 1.079 242 L CA 2.234 56.641 54.840 -0.722 0.000 0.758 242 L CB -1.213 40.666 42.059 -0.300 0.000 0.891 242 L HN 0.430 8.660 8.230 -0.000 0.000 0.433 243 D N -2.432 117.799 120.400 -0.281 0.000 2.310 243 D HA -0.263 4.344 4.640 -0.055 0.000 0.212 243 D C 1.716 177.994 176.300 -0.038 0.000 0.965 243 D CA 1.436 55.388 54.000 -0.080 0.000 0.879 243 D CB -0.749 40.184 40.800 0.222 0.000 0.921 243 D HN 0.641 9.011 8.370 -0.000 0.000 0.510 244 H N 0.362 119.251 119.070 -0.301 0.000 2.491 244 H HA 0.016 4.534 4.556 -0.062 0.000 0.290 244 H C 2.316 177.435 175.328 -0.348 0.000 1.050 244 H CA 0.562 56.498 56.048 -0.188 0.000 1.309 244 H CB 0.122 29.945 29.762 0.101 0.000 1.392 244 H HN 0.313 8.593 8.280 -0.000 0.000 0.554 245 G N 0.968 109.260 108.800 -0.848 0.000 2.418 245 G HA2 -0.215 3.712 3.960 -0.055 0.000 0.217 245 G HA3 -0.215 3.712 3.960 -0.055 0.000 0.217 245 G C 1.651 176.472 174.900 -0.132 0.000 1.158 245 G CA 0.473 45.305 45.100 -0.447 0.000 0.771 245 G HN 0.230 8.520 8.290 -0.000 0.000 0.545 246 L N 0.119 121.276 121.223 -0.109 0.000 2.093 246 L HA -0.024 4.283 4.340 -0.055 0.000 0.208 246 L C 2.772 179.777 176.870 0.225 0.000 1.085 246 L CA 1.473 56.355 54.840 0.069 0.000 0.755 246 L CB -0.358 41.802 42.059 0.169 0.000 0.904 246 L HN 0.225 8.455 8.230 -0.000 0.000 0.435 247 K N 0.842 121.342 120.400 0.167 0.000 2.032 247 K HA -0.203 4.084 4.320 -0.055 0.000 0.209 247 K C 2.145 178.838 176.600 0.155 0.000 1.048 247 K CA 1.488 57.874 56.287 0.165 0.000 0.927 247 K CB -0.117 32.419 32.500 0.061 0.000 0.712 247 K HN 0.207 8.457 8.250 -0.000 0.000 0.441 248 L N 0.670 121.966 121.223 0.121 0.000 2.056 248 L HA -0.174 4.133 4.340 -0.055 0.000 0.207 248 L C 2.478 179.391 176.870 0.072 0.000 1.078 248 L CA 0.496 55.406 54.840 0.117 0.000 0.749 248 L CB -0.388 41.769 42.059 0.162 0.000 0.901 248 L HN 0.245 8.475 8.230 -0.000 0.000 0.433 249 L N -1.176 120.051 121.223 0.008 0.000 2.083 249 L HA -0.177 4.130 4.340 -0.055 0.000 0.209 249 L C 1.958 178.733 176.870 -0.158 0.000 1.083 249 L CA 1.843 56.603 54.840 -0.134 0.000 0.752 249 L CB -0.452 41.442 42.059 -0.275 0.000 0.899 249 L HN 0.196 8.426 8.230 -0.000 0.000 0.433 250 W N -0.865 120.433 121.300 -0.002 0.000 2.658 250 W HA 0.014 4.624 4.660 -0.082 0.000 0.263 250 W C 2.205 178.728 176.519 0.007 0.000 1.274 250 W CA 0.369 57.714 57.345 -0.000 0.000 1.343 250 W CB -0.010 29.448 29.460 -0.003 0.000 1.106 250 W HN 0.156 8.336 8.180 -0.000 0.000 0.615 251 N N -0.254 118.576 118.700 0.216 0.000 2.368 251 N HA 0.144 4.851 4.740 -0.055 0.000 0.178 251 N C 0.149 175.719 175.510 0.100 0.000 1.076 251 N CA 0.425 53.562 53.050 0.145 0.000 0.889 251 N CB 0.568 39.126 38.487 0.118 0.000 1.040 251 N HN 0.025 8.405 8.380 -0.000 0.000 0.463 252 I N 1.337 121.958 120.570 0.084 0.000 2.395 252 I HA -0.011 4.126 4.170 -0.055 0.000 0.289 252 I C 1.486 177.636 176.117 0.055 0.000 1.023 252 I CA -0.225 61.116 61.300 0.070 0.000 1.350 252 I CB 1.558 39.601 38.000 0.072 0.000 1.409 252 I HN -0.071 8.139 8.210 -0.000 0.000 0.507 253 D N 3.752 124.186 120.400 0.058 0.000 2.103 253 D HA -0.246 4.361 4.640 -0.055 0.000 0.190 253 D C 0.639 176.962 176.300 0.038 0.000 0.997 253 D CA 1.695 55.724 54.000 0.049 0.000 0.833 253 D CB 0.237 41.068 40.800 0.051 0.000 0.961 253 D HN 0.494 8.864 8.370 -0.000 0.000 0.447 254 D N -0.421 120.011 120.400 0.052 0.000 2.432 254 D HA 0.524 5.131 4.640 -0.055 0.000 0.265 254 D C -1.426 174.914 176.300 0.067 0.000 1.160 254 D CA -0.392 53.642 54.000 0.056 0.000 0.911 254 D CB 0.606 41.453 40.800 0.078 0.000 1.052 254 D HN 0.226 8.596 8.370 -0.000 0.000 0.508 255 A N 2.853 125.679 122.820 0.011 0.000 2.430 255 A HA 0.934 5.221 4.320 -0.055 0.000 0.300 255 A C -0.471 177.051 177.584 -0.104 0.000 1.124 255 A CA -0.834 51.188 52.037 -0.026 0.000 0.766 255 A CB 1.842 20.822 19.000 -0.034 0.000 1.328 255 A HN 0.453 8.603 8.150 -0.000 0.000 0.424 256 R N 0.386 120.763 120.500 -0.204 0.000 2.808 256 R HA 0.784 5.091 4.340 -0.055 0.000 0.272 256 R C -2.301 173.742 176.300 -0.429 0.000 0.995 256 R CA -0.725 55.193 56.100 -0.303 0.000 0.917 256 R CB 1.126 31.242 30.300 -0.307 0.000 1.217 256 R HN 0.858 9.128 8.270 -0.000 0.000 0.471 257 L N 0.817 121.815 121.223 -0.376 0.000 2.381 257 L HA 0.506 4.813 4.340 -0.055 0.000 0.274 257 L C -1.553 175.120 176.870 -0.328 0.000 0.988 257 L CA -0.475 54.176 54.840 -0.316 0.000 0.824 257 L CB 1.717 43.654 42.059 -0.204 0.000 1.263 257 L HN 0.852 9.082 8.230 -0.000 0.000 0.410 258 H N 3.438 122.252 119.070 -0.426 0.000 2.589 258 H HA 0.744 5.269 4.556 -0.051 0.000 0.335 258 H C -1.545 173.564 175.328 -0.364 0.000 1.019 258 H CA -0.520 55.283 56.048 -0.408 0.000 1.213 258 H CB 1.580 31.091 29.762 -0.419 0.000 1.472 258 H HN 0.463 8.743 8.280 -0.000 0.000 0.508 259 V N 6.317 125.900 119.914 -0.552 0.000 2.448 259 V HA 0.279 4.366 4.120 -0.055 0.000 0.295 259 V C -0.584 175.248 176.094 -0.437 0.000 1.025 259 V CA -0.716 61.390 62.300 -0.324 0.000 0.859 259 V CB 0.811 32.532 31.823 -0.170 0.000 0.988 259 V HN 0.592 8.782 8.190 -0.000 0.000 0.431 260 F N 2.670 122.556 119.950 -0.107 0.000 2.404 260 F HA 0.487 4.983 4.527 -0.053 0.000 0.345 260 F C 1.135 176.779 175.800 -0.261 0.000 1.110 260 F CA -0.271 57.569 58.000 -0.267 0.000 1.130 260 F CB 1.498 40.150 39.000 -0.580 0.000 1.129 260 F HN 0.592 8.892 8.300 -0.000 0.000 0.500 261 S N 2.030 117.706 115.700 -0.041 0.000 2.603 261 S HA 0.314 4.752 4.470 -0.055 0.000 0.268 261 S C -0.141 174.383 174.600 -0.127 0.000 1.317 261 S CA -0.914 57.234 58.200 -0.086 0.000 1.012 261 S CB 0.497 63.661 63.200 -0.060 0.000 0.926 261 S HN 0.685 8.995 8.310 -0.000 0.000 0.539 262 K N -1.157 119.012 120.400 -0.385 0.000 3.653 262 K HA -0.169 4.118 4.320 -0.055 0.000 0.275 262 K C -0.750 175.718 176.600 -0.221 0.000 0.962 262 K CA 0.549 56.338 56.287 -0.829 0.000 0.773 262 K CB -2.158 30.134 32.500 -0.346 0.000 1.463 262 K HN 0.699 8.949 8.250 -0.000 0.000 0.450 263 C N 0.078 119.280 119.300 -0.163 0.000 2.716 263 C HA 0.599 5.026 4.460 -0.055 0.000 0.366 263 C C 1.197 176.269 174.990 0.137 0.000 1.073 263 C CA -0.016 59.064 59.018 0.104 0.000 1.260 263 C CB 0.785 28.520 27.740 -0.008 0.000 1.755 263 C HN 0.720 8.950 8.230 -0.000 0.000 0.475 264 G N 2.390 111.297 108.800 0.178 0.000 2.624 264 G HA2 0.179 4.106 3.960 -0.055 0.000 0.217 264 G HA3 0.179 4.106 3.960 -0.055 0.000 0.217 264 G C 0.771 175.671 174.900 0.001 0.000 1.506 264 G CA 0.773 45.960 45.100 0.145 0.000 1.072 264 G HN 0.985 9.275 8.290 -0.000 0.000 0.568 265 H N -1.572 117.344 119.070 -0.258 0.000 2.363 265 H HA -0.053 4.468 4.556 -0.058 0.000 0.301 265 H C 0.859 175.987 175.328 -0.334 0.000 1.074 265 H CA 0.892 56.740 56.048 -0.333 0.000 1.354 265 H CB -0.040 29.441 29.762 -0.470 0.000 1.397 265 H HN 0.319 8.599 8.280 -0.000 0.000 0.516 266 W N 2.091 122.895 121.300 -0.827 0.000 1.395 266 W HA 0.380 5.005 4.660 -0.058 0.000 0.451 266 W C 1.022 177.293 176.519 -0.412 0.000 0.619 266 W CA -0.299 56.644 57.345 -0.671 0.000 2.212 266 W CB -1.251 27.761 29.460 -0.747 0.000 1.537 266 W HN 0.367 8.547 8.180 -0.000 0.000 0.275 267 A N 1.584 124.232 122.820 -0.287 0.000 1.940 267 A HA -0.267 4.020 4.320 -0.055 0.000 0.219 267 A C 2.135 179.434 177.584 -0.476 0.000 1.176 267 A CA 1.909 53.781 52.037 -0.275 0.000 0.631 267 A CB -0.394 18.588 19.000 -0.031 0.000 0.814 267 A HN 0.574 8.724 8.150 -0.000 0.000 0.446 268 Q N -2.178 117.208 119.800 -0.691 0.000 2.364 268 Q HA -0.181 4.126 4.340 -0.055 0.000 0.207 268 Q C 1.736 177.321 176.000 -0.691 0.000 0.970 268 Q CA 1.471 56.635 55.803 -1.065 0.000 0.888 268 Q CB -0.373 27.566 28.738 -1.332 0.000 0.951 268 Q HN 0.853 9.123 8.270 -0.000 0.000 0.469 269 W N 1.471 122.144 121.300 -1.046 0.000 2.699 269 W HA 0.165 4.791 4.660 -0.057 0.000 0.267 269 W C 2.082 178.103 176.519 -0.830 0.000 1.182 269 W CA 0.748 57.372 57.345 -1.201 0.000 1.453 269 W CB 0.515 28.535 29.460 -2.400 0.000 1.054 269 W HN 0.197 8.377 8.180 -0.000 0.000 0.595 270 E N -1.143 118.819 120.200 -0.396 0.000 2.150 270 E HA -0.178 4.139 4.350 -0.055 0.000 0.193 270 E C 0.607 176.891 176.600 -0.527 0.000 0.985 270 E CA 1.096 57.300 56.400 -0.327 0.000 0.814 270 E CB -0.175 29.517 29.700 -0.012 0.000 0.752 270 E HN 0.237 8.597 8.360 -0.000 0.000 0.466 271 H N -1.139 117.600 119.070 -0.552 0.000 2.591 271 H HA 0.314 4.839 4.556 -0.052 0.000 0.241 271 H C 0.658 175.709 175.328 -0.462 0.000 1.292 271 H CA 0.238 55.935 56.048 -0.586 0.000 1.022 271 H CB 1.115 30.251 29.762 -1.043 0.000 1.875 271 H HN 0.196 8.476 8.280 -0.000 0.000 0.570 272 A N 0.767 123.361 122.820 -0.376 0.000 1.892 272 A HA -0.213 4.074 4.320 -0.055 0.000 0.218 272 A C 1.911 179.448 177.584 -0.078 0.000 1.188 272 A CA 1.807 53.693 52.037 -0.253 0.000 0.631 272 A CB -0.030 18.729 19.000 -0.402 0.000 0.822 272 A HN 0.313 8.463 8.150 -0.000 0.000 0.447 273 D N -0.355 119.970 120.400 -0.125 0.000 2.097 273 D HA -0.135 4.473 4.640 -0.055 0.000 0.195 273 D C 1.978 178.279 176.300 0.003 0.000 0.989 273 D CA 1.642 55.606 54.000 -0.060 0.000 0.827 273 D CB -0.487 40.265 40.800 -0.080 0.000 0.966 273 D HN 0.684 9.054 8.370 -0.000 0.000 0.456 274 E N -0.173 120.051 120.200 0.039 0.000 2.051 274 E HA -0.152 4.165 4.350 -0.055 0.000 0.192 274 E C 1.982 178.681 176.600 0.166 0.000 0.991 274 E CA 0.495 56.980 56.400 0.140 0.000 0.799 274 E CB -0.265 29.631 29.700 0.325 0.000 0.748 274 E HN 0.231 8.591 8.360 -0.000 0.000 0.449 275 F N 2.528 122.505 119.950 0.046 0.000 2.095 275 F HA -0.257 4.236 4.527 -0.058 0.000 0.298 275 F C 1.848 177.654 175.800 0.011 0.000 1.104 275 F CA 1.546 59.603 58.000 0.096 0.000 1.232 275 F CB -0.141 38.869 39.000 0.016 0.000 0.987 275 F HN -0.072 8.228 8.300 -0.000 0.000 0.475 276 N N 0.728 119.517 118.700 0.148 0.000 2.069 276 N HA -0.184 4.523 4.740 -0.055 0.000 0.191 276 N C 1.973 177.328 175.510 -0.258 0.000 1.031 276 N CA 1.710 54.755 53.050 -0.008 0.000 0.852 276 N CB -0.599 37.935 38.487 0.077 0.000 1.018 276 N HN 0.374 8.754 8.380 -0.000 0.000 0.423 277 R N 0.547 120.951 120.500 -0.160 0.000 2.083 277 R HA -0.026 4.281 4.340 -0.055 0.000 0.237 277 R C 2.384 178.548 176.300 -0.226 0.000 1.137 277 R CA 0.937 56.938 56.100 -0.164 0.000 0.951 277 R CB -0.514 29.739 30.300 -0.079 0.000 0.851 277 R HN 0.217 8.487 8.270 -0.000 0.000 0.434 278 L N -0.001 121.057 121.223 -0.276 0.000 2.017 278 L HA -0.172 4.135 4.340 -0.055 0.000 0.208 278 L C 2.388 178.908 176.870 -0.585 0.000 1.073 278 L CA 1.040 55.656 54.840 -0.373 0.000 0.745 278 L CB -0.353 41.438 42.059 -0.445 0.000 0.894 278 L HN 0.037 8.267 8.230 -0.000 0.000 0.432 279 V N -0.291 119.163 119.914 -0.767 0.000 2.488 279 V HA -0.212 3.875 4.120 -0.055 0.000 0.246 279 V C 2.262 178.071 176.094 -0.476 0.000 1.046 279 V CA 1.415 63.263 62.300 -0.753 0.000 1.053 279 V CB -0.168 31.163 31.823 -0.819 0.000 0.679 279 V HN 0.286 8.476 8.190 -0.000 0.000 0.458 280 I N 0.743 120.968 120.570 -0.576 0.000 2.226 280 I HA -0.279 3.858 4.170 -0.055 0.000 0.245 280 I C 2.357 178.312 176.117 -0.270 0.000 1.100 280 I CA 2.216 63.216 61.300 -0.500 0.000 1.374 280 I CB -0.390 37.299 38.000 -0.519 0.000 1.057 280 I HN 0.410 8.620 8.210 -0.000 0.000 0.413 281 D N 0.656 120.942 120.400 -0.189 0.000 2.123 281 D HA -0.294 4.313 4.640 -0.055 0.000 0.196 281 D C 2.093 178.386 176.300 -0.012 0.000 0.992 281 D CA 1.381 55.363 54.000 -0.030 0.000 0.833 281 D CB -0.154 40.670 40.800 0.040 0.000 0.954 281 D HN 0.273 8.643 8.370 -0.000 0.000 0.455 282 F N 0.746 120.568 119.950 -0.214 0.000 2.102 282 F HA -0.079 4.417 4.527 -0.051 0.000 0.298 282 F C 1.918 177.600 175.800 -0.197 0.000 1.105 282 F CA 1.336 59.239 58.000 -0.163 0.000 1.239 282 F CB -0.365 38.478 39.000 -0.261 0.000 0.991 282 F HN 0.012 8.312 8.300 -0.000 0.000 0.474 283 L N -0.144 120.876 121.223 -0.338 0.000 2.083 283 L HA -0.200 4.107 4.340 -0.055 0.000 0.209 283 L C 2.654 179.318 176.870 -0.344 0.000 1.083 283 L CA 1.435 55.978 54.840 -0.495 0.000 0.752 283 L CB -0.605 41.118 42.059 -0.561 0.000 0.899 283 L HN 0.089 8.319 8.230 -0.000 0.000 0.433 284 R N -1.122 119.184 120.500 -0.324 0.000 2.073 284 R HA -0.094 4.213 4.340 -0.055 0.000 0.229 284 R C 1.708 177.686 176.300 -0.537 0.000 1.120 284 R CA 1.390 57.202 56.100 -0.481 0.000 0.967 284 R CB -0.107 29.712 30.300 -0.803 0.000 0.862 284 R HN 0.507 8.777 8.270 -0.000 0.000 0.436 285 H N -1.423 117.573 119.070 -0.124 0.000 3.255 285 H HA 0.347 4.870 4.556 -0.056 0.000 0.256 285 H C 0.350 175.606 175.328 -0.120 0.000 1.049 285 H CA -0.064 55.928 56.048 -0.094 0.000 1.202 285 H CB 0.666 30.396 29.762 -0.053 0.000 1.497 285 H HN 0.140 8.420 8.280 -0.000 0.000 0.503 286 A N 0.000 122.734 122.820 -0.144 0.000 2.254 286 A HA 0.000 4.287 4.320 -0.055 0.000 0.244 286 A CA 0.000 51.932 52.037 -0.174 0.000 0.836 286 A CB 0.000 18.716 19.000 -0.474 0.000 0.831 286 A HN 0.000 8.150 8.150 -0.000 0.000 0.486