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 3faz_1_C DATA FIRST_RESID 3 DATA SEQUENCE ESVTANIENV KKVAHHIQKL TSIVPEIGII CGSGLGKLAD GVKDKITIPY DATA SEQUENCE TKIPNFPQTS VVGHSGNLIF GTLSGRKVVV MQGRFHMYEG YSNDTVALPI DATA SEQUENCE RVMKLLGVKI LMVSNAAGGL NRSLKLGDFV ILKDHIYLPG LGLNNILVGP DATA SEQUENCE NQEAFGTRFP ALSNAYDRDL RKLAVQVAEE NGFGNLVHQG VYVMNGGPCY DATA SEQUENCE ETPAECTMLL NMGCDVVGMS TIPEVVIARH CGIQVFAVSL VTNISVLDVE DATA SEQUENCE SDLKPNHEEV LATGAQRAEL MQSWFEKIIE KLPKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 3 E C 0.000 176.556 176.600 -0.073 0.000 1.382 3 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 3 E CB 0.000 29.672 29.700 -0.046 0.000 0.812 4 S N -0.833 114.827 115.700 -0.066 0.000 3.645 4 S HA -0.033 4.436 4.470 -0.002 0.000 0.570 4 S C 1.326 175.871 174.600 -0.091 0.000 2.436 4 S CA 3.081 61.227 58.200 -0.091 0.000 4.077 4 S CB -1.863 61.234 63.200 -0.171 0.000 0.856 4 S HN 2.057 10.367 8.310 -0.000 0.000 0.996 5 V N -0.586 119.256 119.914 -0.120 0.000 2.567 5 V HA 0.685 4.804 4.120 -0.002 0.000 0.289 5 V C 0.546 176.570 176.094 -0.117 0.000 1.049 5 V CA -0.004 62.235 62.300 -0.101 0.000 0.969 5 V CB 0.841 32.605 31.823 -0.097 0.000 0.995 5 V HN 1.067 9.257 8.190 -0.000 0.000 0.471 6 T N 4.682 119.186 114.554 -0.083 0.000 2.908 6 T HA 0.286 4.635 4.350 -0.002 0.000 0.301 6 T C 0.988 175.631 174.700 -0.095 0.000 1.019 6 T CA 0.611 62.663 62.100 -0.080 0.000 1.152 6 T CB 0.884 69.725 68.868 -0.045 0.000 0.966 6 T HN 1.383 9.623 8.240 -0.000 0.000 0.540 7 A N 4.143 126.884 122.820 -0.132 0.000 2.711 7 A HA 0.163 4.482 4.320 -0.002 0.000 0.242 7 A C 0.918 178.466 177.584 -0.059 0.000 1.607 7 A CA -0.784 51.148 52.037 -0.176 0.000 1.370 7 A CB -1.061 17.771 19.000 -0.281 0.000 0.934 7 A HN 0.857 9.007 8.150 -0.000 0.000 0.628 8 N N -0.872 117.854 118.700 0.044 0.000 2.447 8 N HA 0.271 5.010 4.740 -0.002 0.000 0.271 8 N C 0.638 176.328 175.510 0.300 0.000 1.226 8 N CA -0.868 52.291 53.050 0.181 0.000 0.980 8 N CB 0.231 38.764 38.487 0.077 0.000 1.206 8 N HN 0.005 8.385 8.380 -0.000 0.000 0.558 9 I N -0.179 120.534 120.570 0.239 0.000 2.286 9 I HA -0.176 3.993 4.170 -0.002 0.000 0.248 9 I C 1.496 177.646 176.117 0.054 0.000 1.115 9 I CA 1.548 62.899 61.300 0.086 0.000 1.392 9 I CB -0.591 37.297 38.000 -0.187 0.000 1.065 9 I HN 0.604 8.814 8.210 -0.000 0.000 0.418 10 E N 0.735 120.954 120.200 0.032 0.000 2.023 10 E HA -0.201 4.148 4.350 -0.002 0.000 0.196 10 E C 2.036 178.640 176.600 0.007 0.000 1.003 10 E CA 1.738 58.145 56.400 0.011 0.000 0.809 10 E CB -0.447 29.259 29.700 0.009 0.000 0.755 10 E HN 0.474 8.834 8.360 -0.000 0.000 0.449 11 N N -0.006 118.701 118.700 0.012 0.000 2.188 11 N HA -0.102 4.637 4.740 -0.002 0.000 0.184 11 N C 1.871 177.370 175.510 -0.017 0.000 1.018 11 N CA 0.875 53.918 53.050 -0.011 0.000 0.858 11 N CB -0.385 38.083 38.487 -0.032 0.000 0.989 11 N HN 0.011 8.391 8.380 -0.000 0.000 0.426 12 V N 1.700 121.628 119.914 0.022 0.000 2.295 12 V HA -0.214 3.905 4.120 -0.002 0.000 0.246 12 V C 2.237 178.321 176.094 -0.017 0.000 1.049 12 V CA 1.511 63.830 62.300 0.032 0.000 1.024 12 V CB -0.411 31.523 31.823 0.184 0.000 0.648 12 V HN 0.276 8.466 8.190 -0.000 0.000 0.447 13 K N -0.101 120.262 120.400 -0.062 0.000 2.044 13 K HA -0.249 4.070 4.320 -0.002 0.000 0.210 13 K C 2.292 178.622 176.600 -0.451 0.000 1.049 13 K CA 1.793 57.886 56.287 -0.324 0.000 0.927 13 K CB -0.259 32.082 32.500 -0.264 0.000 0.713 13 K HN 0.373 8.623 8.250 -0.000 0.000 0.443 14 K N 0.398 120.697 120.400 -0.168 0.000 2.063 14 K HA -0.140 4.179 4.320 -0.002 0.000 0.208 14 K C 2.078 178.688 176.600 0.016 0.000 1.048 14 K CA 1.394 57.656 56.287 -0.041 0.000 0.928 14 K CB -0.101 32.407 32.500 0.014 0.000 0.713 14 K HN -0.021 8.229 8.250 -0.000 0.000 0.442 15 V N 1.177 121.095 119.914 0.007 0.000 2.307 15 V HA -0.248 3.871 4.120 -0.002 0.000 0.245 15 V C 2.358 178.516 176.094 0.107 0.000 1.045 15 V CA 1.955 64.302 62.300 0.078 0.000 1.024 15 V CB -0.705 31.177 31.823 0.099 0.000 0.651 15 V HN 0.358 8.548 8.190 -0.000 0.000 0.449 16 A N -0.547 122.290 122.820 0.030 0.000 1.892 16 A HA -0.322 3.997 4.320 -0.002 0.000 0.218 16 A C 2.002 179.655 177.584 0.115 0.000 1.188 16 A CA 2.527 54.592 52.037 0.046 0.000 0.631 16 A CB -0.999 17.983 19.000 -0.030 0.000 0.822 16 A HN 0.766 8.916 8.150 -0.000 0.000 0.447 17 H N -2.908 116.210 119.070 0.081 0.000 2.395 17 H HA -0.118 4.437 4.556 -0.002 0.000 0.299 17 H C 2.230 177.584 175.328 0.044 0.000 1.070 17 H CA 0.853 56.929 56.048 0.046 0.000 1.356 17 H CB -0.127 29.659 29.762 0.040 0.000 1.401 17 H HN 0.666 8.946 8.280 -0.000 0.000 0.524 18 H N 1.391 120.532 119.070 0.119 0.000 2.319 18 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 18 H C 2.188 177.526 175.328 0.016 0.000 1.092 18 H CA 1.731 57.814 56.048 0.057 0.000 1.302 18 H CB -0.102 29.690 29.762 0.049 0.000 1.373 18 H HN 0.326 8.606 8.280 -0.000 0.000 0.497 19 I N 0.772 121.454 120.570 0.187 0.000 2.179 19 I HA -0.290 3.879 4.170 -0.002 0.000 0.242 19 I C 2.639 178.688 176.117 -0.112 0.000 1.088 19 I CA 1.311 62.637 61.300 0.045 0.000 1.357 19 I CB -0.352 37.686 38.000 0.064 0.000 1.051 19 I HN 0.289 8.499 8.210 -0.000 0.000 0.409 20 Q N 0.409 120.178 119.800 -0.052 0.000 2.364 20 Q HA -0.230 4.109 4.340 -0.002 0.000 0.209 20 Q C 2.100 178.036 176.000 -0.107 0.000 0.977 20 Q CA 1.122 56.874 55.803 -0.084 0.000 0.885 20 Q CB -0.078 28.663 28.738 0.006 0.000 0.941 20 Q HN 0.380 8.650 8.270 -0.000 0.000 0.464 21 K N 0.044 120.375 120.400 -0.114 0.000 2.155 21 K HA -0.119 4.200 4.320 -0.002 0.000 0.203 21 K C 1.118 177.628 176.600 -0.150 0.000 1.052 21 K CA 0.732 56.935 56.287 -0.141 0.000 0.948 21 K CB 0.290 32.667 32.500 -0.206 0.000 0.728 21 K HN 0.097 8.347 8.250 -0.000 0.000 0.448 22 L N -0.195 120.927 121.223 -0.169 0.000 2.513 22 L HA 0.131 4.470 4.340 -0.002 0.000 0.222 22 L C 0.832 177.605 176.870 -0.163 0.000 1.096 22 L CA 0.689 55.442 54.840 -0.145 0.000 0.857 22 L CB 0.803 42.796 42.059 -0.109 0.000 1.026 22 L HN 0.014 8.244 8.230 -0.000 0.000 0.469 23 T N -2.389 112.023 114.554 -0.236 0.000 2.916 23 T HA 0.327 4.676 4.350 -0.002 0.000 0.305 23 T C 0.668 175.249 174.700 -0.197 0.000 1.119 23 T CA 0.064 62.013 62.100 -0.251 0.000 1.008 23 T CB 1.400 69.977 68.868 -0.484 0.000 1.129 23 T HN 0.044 8.284 8.240 -0.000 0.000 0.480 24 S N 3.199 118.827 115.700 -0.120 0.000 2.556 24 S HA 0.280 4.749 4.470 -0.002 0.000 0.216 24 S C 0.743 175.310 174.600 -0.056 0.000 0.970 24 S CA -0.393 57.761 58.200 -0.077 0.000 0.912 24 S CB -0.156 63.016 63.200 -0.046 0.000 0.790 24 S HN 0.655 8.965 8.310 -0.000 0.000 0.504 25 I N 3.340 123.870 120.570 -0.067 0.000 2.421 25 I HA 0.180 4.349 4.170 -0.002 0.000 0.291 25 I C -0.198 175.937 176.117 0.029 0.000 1.089 25 I CA -0.376 60.932 61.300 0.015 0.000 1.354 25 I CB 0.544 38.612 38.000 0.115 0.000 1.413 25 I HN 0.035 8.245 8.210 -0.000 0.000 0.513 26 V N 10.169 130.114 119.914 0.052 0.000 2.339 26 V HA 0.191 4.310 4.120 -0.002 0.000 0.261 26 V C -1.958 174.204 176.094 0.113 0.000 1.058 26 V CA -1.545 60.798 62.300 0.072 0.000 0.897 26 V CB 0.808 32.658 31.823 0.044 0.000 1.052 26 V HN 0.581 8.771 8.190 -0.000 0.000 0.480 27 P HA 0.111 4.531 4.420 -0.000 0.000 0.268 27 P C 0.522 177.878 177.300 0.095 0.000 1.204 27 P CA 0.110 63.304 63.100 0.158 0.000 0.768 27 P CB 1.027 32.847 31.700 0.199 0.000 0.842 28 E N 2.565 122.804 120.200 0.065 0.000 2.340 28 E HA 0.097 4.446 4.350 -0.002 0.000 0.198 28 E C -0.063 176.555 176.600 0.030 0.000 0.961 28 E CA 0.300 56.725 56.400 0.041 0.000 0.905 28 E CB 0.267 29.983 29.700 0.027 0.000 0.884 28 E HN 0.391 8.751 8.360 -0.000 0.000 0.491 29 I N 0.836 121.424 120.570 0.030 0.000 2.498 29 I HA 0.391 4.560 4.170 -0.002 0.000 0.290 29 I C 0.045 176.173 176.117 0.019 0.000 1.032 29 I CA -0.998 60.312 61.300 0.017 0.000 1.073 29 I CB 2.166 40.169 38.000 0.004 0.000 1.251 29 I HN -0.047 8.163 8.210 -0.000 0.000 0.426 30 G N 6.554 115.365 108.800 0.020 0.000 2.356 30 G HA2 0.790 4.749 3.960 -0.002 0.000 0.322 30 G HA3 0.790 4.749 3.960 -0.002 0.000 0.322 30 G C -0.820 174.099 174.900 0.031 0.000 1.125 30 G CA -0.409 44.697 45.100 0.011 0.000 0.885 30 G HN 0.493 8.783 8.290 -0.000 0.000 0.467 31 I N 2.269 122.854 120.570 0.024 0.000 2.439 31 I HA 0.290 4.459 4.170 -0.002 0.000 0.285 31 I C -0.386 175.758 176.117 0.044 0.000 1.021 31 I CA -0.545 60.798 61.300 0.071 0.000 1.091 31 I CB 2.243 40.294 38.000 0.085 0.000 1.242 31 I HN 0.235 8.445 8.210 -0.000 0.000 0.439 32 I N 5.728 126.335 120.570 0.062 0.000 2.291 32 I HA 0.137 4.306 4.170 -0.002 0.000 0.290 32 I C 0.379 176.508 176.117 0.020 0.000 1.050 32 I CA -0.405 60.917 61.300 0.037 0.000 1.245 32 I CB 1.055 39.074 38.000 0.031 0.000 1.405 32 I HN 0.639 8.849 8.210 -0.000 0.000 0.478 33 C N 7.245 126.543 119.300 -0.003 0.000 2.662 33 C HA 0.437 4.896 4.460 -0.002 0.000 0.402 33 C C 1.143 176.129 174.990 -0.007 0.000 1.397 33 C CA 0.019 59.017 59.018 -0.034 0.000 1.575 33 C CB -1.757 25.961 27.740 -0.038 0.000 2.406 33 C HN 0.961 9.191 8.230 -0.000 0.000 0.609 34 G N 3.672 112.460 108.800 -0.019 0.000 3.119 34 G HA2 0.507 4.466 3.960 -0.002 0.000 0.206 34 G HA3 0.507 4.466 3.960 -0.002 0.000 0.206 34 G C -0.380 174.530 174.900 0.016 0.000 1.313 34 G CA -0.229 44.893 45.100 0.037 0.000 1.010 34 G HN 0.894 9.184 8.290 -0.000 0.000 0.578 35 S N -0.732 115.002 115.700 0.057 0.000 2.563 35 S HA 0.373 4.842 4.470 -0.002 0.000 0.294 35 S C 1.545 176.154 174.600 0.015 0.000 1.279 35 S CA 1.518 59.750 58.200 0.053 0.000 1.069 35 S CB -0.282 62.974 63.200 0.093 0.000 0.828 35 S HN 2.329 10.639 8.310 -0.000 0.000 0.497 36 G N 3.569 112.371 108.800 0.003 0.000 2.176 36 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.253 36 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.253 36 G C 0.421 175.264 174.900 -0.095 0.000 0.979 36 G CA 0.400 45.496 45.100 -0.007 0.000 0.641 36 G HN 0.738 9.028 8.290 -0.000 0.000 0.530 37 L N 0.820 121.962 121.223 -0.134 0.000 2.857 37 L HA 0.330 4.669 4.340 -0.002 0.000 0.249 37 L C 2.471 179.275 176.870 -0.110 0.000 1.172 37 L CA 0.572 55.293 54.840 -0.197 0.000 0.980 37 L CB 0.145 42.027 42.059 -0.296 0.000 1.299 37 L HN 0.246 8.476 8.230 -0.000 0.000 0.535 38 G N 0.514 109.273 108.800 -0.068 0.000 2.432 38 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 38 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 38 G C 1.622 176.495 174.900 -0.045 0.000 1.135 38 G CA 0.465 45.536 45.100 -0.048 0.000 0.767 38 G HN 0.290 8.580 8.290 -0.000 0.000 0.550 39 K N -0.614 119.761 120.400 -0.043 0.000 2.116 39 K HA 0.159 4.478 4.320 -0.002 0.000 0.203 39 K C 2.295 178.877 176.600 -0.030 0.000 1.052 39 K CA 0.327 56.596 56.287 -0.030 0.000 0.952 39 K CB -0.190 32.298 32.500 -0.020 0.000 0.729 39 K HN 0.236 8.486 8.250 -0.000 0.000 0.446 40 L N 1.568 122.762 121.223 -0.047 0.000 1.990 40 L HA -0.239 4.100 4.340 -0.002 0.000 0.213 40 L C 2.269 179.123 176.870 -0.027 0.000 1.072 40 L CA 2.010 56.827 54.840 -0.037 0.000 0.755 40 L CB -0.699 41.313 42.059 -0.078 0.000 0.889 40 L HN 0.164 8.394 8.230 -0.000 0.000 0.432 41 A N -0.417 122.378 122.820 -0.042 0.000 1.896 41 A HA -0.328 3.991 4.320 -0.002 0.000 0.220 41 A C 1.938 179.507 177.584 -0.024 0.000 1.206 41 A CA 2.394 54.408 52.037 -0.037 0.000 0.647 41 A CB -1.213 17.759 19.000 -0.047 0.000 0.828 41 A HN 0.644 8.794 8.150 -0.000 0.000 0.455 42 D N -0.843 119.544 120.400 -0.022 0.000 2.350 42 D HA 0.004 4.643 4.640 -0.002 0.000 0.216 42 D C 1.614 177.912 176.300 -0.003 0.000 0.968 42 D CA 1.139 55.131 54.000 -0.013 0.000 0.894 42 D CB -0.442 40.350 40.800 -0.015 0.000 0.909 42 D HN 0.514 8.884 8.370 -0.000 0.000 0.520 43 G N 0.185 108.985 108.800 -0.001 0.000 3.088 43 G HA2 0.130 4.089 3.960 -0.002 0.000 0.217 43 G HA3 0.130 4.089 3.960 -0.002 0.000 0.217 43 G C 0.629 175.538 174.900 0.015 0.000 1.159 43 G CA -0.214 44.891 45.100 0.009 0.000 0.760 43 G HN 0.069 8.359 8.290 -0.000 0.000 0.550 44 V N 1.940 121.861 119.914 0.012 0.000 2.673 44 V HA 0.121 4.240 4.120 -0.002 0.000 0.303 44 V C 0.111 176.219 176.094 0.025 0.000 1.046 44 V CA -0.127 62.185 62.300 0.019 0.000 1.126 44 V CB 0.972 32.804 31.823 0.015 0.000 0.934 44 V HN 0.128 8.318 8.190 -0.000 0.000 0.487 45 K N 2.797 123.215 120.400 0.029 0.000 2.118 45 K HA 0.262 4.581 4.320 -0.002 0.000 0.267 45 K C 0.134 176.756 176.600 0.036 0.000 0.991 45 K CA -0.496 55.809 56.287 0.029 0.000 0.916 45 K CB 0.616 33.132 32.500 0.028 0.000 1.041 45 K HN 0.737 8.987 8.250 -0.000 0.000 0.455 46 D N 0.701 121.120 120.400 0.032 0.000 2.708 46 D HA -0.196 4.443 4.640 -0.002 0.000 0.236 46 D C -0.272 176.056 176.300 0.048 0.000 1.146 46 D CA 0.978 54.999 54.000 0.035 0.000 0.662 46 D CB -1.143 39.677 40.800 0.033 0.000 1.059 46 D HN 0.595 8.965 8.370 -0.000 0.000 0.428 47 K N -0.105 120.323 120.400 0.048 0.000 2.326 47 K HA 0.432 4.751 4.320 -0.002 0.000 0.275 47 K C 0.336 176.979 176.600 0.073 0.000 1.018 47 K CA -0.135 56.190 56.287 0.064 0.000 0.962 47 K CB 1.226 33.753 32.500 0.045 0.000 0.953 47 K HN 0.161 8.411 8.250 -0.000 0.000 0.475 48 I N 2.828 123.468 120.570 0.117 0.000 2.404 48 I HA 0.145 4.314 4.170 -0.002 0.000 0.293 48 I C -0.557 175.652 176.117 0.154 0.000 0.992 48 I CA -0.876 60.493 61.300 0.115 0.000 1.149 48 I CB 2.183 40.245 38.000 0.103 0.000 1.315 48 I HN 0.727 8.937 8.210 -0.000 0.000 0.446 49 T N 7.305 121.918 114.554 0.099 0.000 2.758 49 T HA 0.573 4.922 4.350 -0.002 0.000 0.285 49 T C -0.096 174.655 174.700 0.086 0.000 0.981 49 T CA -0.275 61.875 62.100 0.082 0.000 0.965 49 T CB 0.881 69.769 68.868 0.033 0.000 0.927 49 T HN 0.287 8.527 8.240 -0.000 0.000 0.448 50 I N 5.483 126.122 120.570 0.114 0.000 2.437 50 I HA 0.306 4.475 4.170 -0.002 0.000 0.279 50 I C -2.489 173.660 176.117 0.054 0.000 1.028 50 I CA -2.677 58.685 61.300 0.103 0.000 1.142 50 I CB 1.666 39.769 38.000 0.172 0.000 1.266 50 I HN 0.268 8.478 8.210 -0.000 0.000 0.461 51 P HA -0.015 4.405 4.420 -0.000 0.000 0.268 51 P C 0.262 177.609 177.300 0.078 0.000 1.205 51 P CA -0.019 63.070 63.100 -0.018 0.000 0.771 51 P CB 0.352 32.048 31.700 -0.007 0.000 0.858 52 Y N 1.172 121.429 120.300 -0.072 0.000 2.241 52 Y HA -0.196 4.353 4.550 -0.002 0.000 0.286 52 Y C 2.419 178.321 175.900 0.004 0.000 1.166 52 Y CA 1.952 60.011 58.100 -0.068 0.000 1.203 52 Y CB -2.303 36.255 38.460 0.164 0.000 0.977 52 Y HN 0.363 8.643 8.280 -0.000 0.000 0.529 53 T N -2.449 112.212 114.554 0.179 0.000 3.007 53 T HA -0.095 4.254 4.350 -0.002 0.000 0.270 53 T C 1.304 176.042 174.700 0.062 0.000 1.107 53 T CA 0.883 63.049 62.100 0.110 0.000 1.118 53 T CB -0.052 68.859 68.868 0.071 0.000 0.889 53 T HN 0.010 8.250 8.240 -0.000 0.000 0.506 54 K N 0.745 121.176 120.400 0.052 0.000 2.372 54 K HA 0.416 4.735 4.320 -0.002 0.000 0.200 54 K C 0.138 176.723 176.600 -0.025 0.000 1.022 54 K CA -0.097 56.219 56.287 0.049 0.000 1.125 54 K CB 0.319 32.868 32.500 0.083 0.000 0.855 54 K HN 0.522 8.772 8.250 -0.000 0.000 0.524 55 I N 2.892 123.394 120.570 -0.114 0.000 2.405 55 I HA 0.216 4.385 4.170 -0.002 0.000 0.280 55 I C -2.557 173.421 176.117 -0.230 0.000 1.027 55 I CA -2.441 58.669 61.300 -0.315 0.000 1.161 55 I CB 1.684 39.546 38.000 -0.230 0.000 1.300 55 I HN -0.308 7.902 8.210 -0.000 0.000 0.463 56 P HA 0.099 4.519 4.420 -0.000 0.000 0.267 56 P C 0.055 177.312 177.300 -0.072 0.000 1.205 56 P CA 0.427 63.426 63.100 -0.167 0.000 0.765 56 P CB 0.273 31.876 31.700 -0.162 0.000 0.828 57 N N -0.847 117.838 118.700 -0.025 0.000 2.936 57 N HA -0.237 4.502 4.740 -0.002 0.000 0.236 57 N C -0.274 175.209 175.510 -0.046 0.000 0.930 57 N CA 0.003 53.032 53.050 -0.034 0.000 0.966 57 N CB -1.357 37.106 38.487 -0.041 0.000 1.090 57 N HN 0.357 8.737 8.380 -0.000 0.000 0.592 58 F N 2.911 122.767 119.950 -0.156 0.000 2.429 58 F HA 0.321 4.847 4.527 -0.002 0.000 0.348 58 F C -1.750 173.916 175.800 -0.222 0.000 1.109 58 F CA -1.699 56.173 58.000 -0.213 0.000 1.232 58 F CB 0.681 39.564 39.000 -0.194 0.000 1.157 58 F HN -0.126 8.174 8.300 -0.000 0.000 0.564 59 P HA 0.018 4.438 4.420 -0.000 0.000 0.272 59 P C -1.570 175.771 177.300 0.069 0.000 1.223 59 P CA -0.195 62.610 63.100 -0.490 0.000 0.784 59 P CB 0.728 31.661 31.700 -1.279 0.000 0.923 60 Q N 0.799 120.755 119.800 0.261 0.000 2.307 60 Q HA 0.483 4.822 4.340 -0.002 0.000 0.262 60 Q C -0.133 176.166 176.000 0.498 0.000 0.961 60 Q CA -0.092 55.967 55.803 0.426 0.000 0.882 60 Q CB 1.924 30.823 28.738 0.269 0.000 1.264 60 Q HN 0.383 8.653 8.270 -0.000 0.000 0.446 61 T N 0.476 115.272 114.554 0.403 0.000 2.909 61 T HA 0.626 4.975 4.350 -0.002 0.000 0.299 61 T C -1.213 173.541 174.700 0.091 0.000 1.073 61 T CA -0.440 61.746 62.100 0.143 0.000 0.999 61 T CB 1.498 70.097 68.868 -0.448 0.000 1.098 61 T HN 0.571 8.811 8.240 -0.000 0.000 0.477 62 S N 2.368 118.121 115.700 0.089 0.000 2.549 62 S HA 0.678 5.147 4.470 -0.002 0.000 0.280 62 S C -1.272 173.361 174.600 0.056 0.000 1.109 62 S CA -0.589 57.646 58.200 0.059 0.000 0.905 62 S CB 1.786 65.036 63.200 0.085 0.000 1.081 62 S HN 0.573 8.883 8.310 -0.000 0.000 0.477 63 V N 4.437 124.381 119.914 0.050 0.000 2.320 63 V HA 0.376 4.495 4.120 -0.002 0.000 0.265 63 V C 0.673 176.818 176.094 0.086 0.000 1.048 63 V CA 0.107 62.435 62.300 0.048 0.000 0.865 63 V CB 0.563 32.387 31.823 0.002 0.000 1.043 63 V HN 1.192 9.382 8.190 -0.000 0.000 0.474 64 V N 6.038 126.004 119.914 0.087 0.000 5.325 64 V HA -0.287 3.832 4.120 -0.002 0.000 0.291 64 V C 1.469 177.671 176.094 0.180 0.000 0.541 64 V CA 1.960 64.322 62.300 0.104 0.000 0.687 64 V CB -1.158 30.707 31.823 0.069 0.000 0.491 64 V HN 1.652 9.842 8.190 -0.000 0.000 1.145 65 G N -0.338 108.548 108.800 0.143 0.000 2.195 65 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.246 65 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.246 65 G C -0.172 174.757 174.900 0.047 0.000 0.984 65 G CA 0.415 45.572 45.100 0.096 0.000 0.633 65 G HN 1.150 9.440 8.290 -0.000 0.000 0.525 66 H N 0.959 120.027 119.070 -0.004 0.000 2.562 66 H HA 0.656 5.211 4.556 -0.002 0.000 0.314 66 H C 0.654 175.953 175.328 -0.048 0.000 1.079 66 H CA 0.253 56.286 56.048 -0.024 0.000 1.349 66 H CB 1.499 31.241 29.762 -0.032 0.000 1.432 66 H HN 0.220 8.500 8.280 -0.000 0.000 0.479 67 S N 2.469 118.179 115.700 0.017 0.000 2.563 67 S HA 0.206 4.675 4.470 -0.002 0.000 0.284 67 S C 1.040 175.515 174.600 -0.208 0.000 1.331 67 S CA -0.255 57.914 58.200 -0.053 0.000 1.047 67 S CB 0.156 63.333 63.200 -0.039 0.000 0.859 67 S HN 0.851 9.161 8.310 -0.000 0.000 0.514 68 G N 3.280 111.820 108.800 -0.434 0.000 2.636 68 G HA2 0.301 4.260 3.960 -0.002 0.000 0.246 68 G HA3 0.301 4.260 3.960 -0.002 0.000 0.246 68 G C -0.489 173.640 174.900 -1.284 0.000 1.216 68 G CA -0.517 44.036 45.100 -0.910 0.000 0.854 68 G HN 0.806 9.096 8.290 -0.000 0.000 0.572 69 N N -0.929 117.189 118.700 -0.971 0.000 2.262 69 N HA 0.335 5.074 4.740 -0.002 0.000 0.295 69 N C -1.550 173.893 175.510 -0.111 0.000 1.161 69 N CA -0.675 52.098 53.050 -0.462 0.000 0.767 69 N CB 2.416 40.781 38.487 -0.204 0.000 1.499 69 N HN 0.196 8.576 8.380 -0.000 0.000 0.476 70 L N 1.777 123.042 121.223 0.069 0.000 2.264 70 L HA 0.520 4.859 4.340 -0.002 0.000 0.289 70 L C -0.539 176.288 176.870 -0.071 0.000 1.044 70 L CA -0.282 54.565 54.840 0.012 0.000 0.807 70 L CB 0.396 42.492 42.059 0.062 0.000 1.192 70 L HN 0.455 8.685 8.230 -0.000 0.000 0.425 71 I N 5.240 125.683 120.570 -0.210 0.000 2.355 71 I HA 0.325 4.494 4.170 -0.002 0.000 0.288 71 I C -0.732 175.226 176.117 -0.265 0.000 0.999 71 I CA -0.184 61.040 61.300 -0.126 0.000 1.163 71 I CB 0.668 38.625 38.000 -0.072 0.000 1.316 71 I HN 0.322 8.532 8.210 -0.000 0.000 0.454 72 F N 4.118 124.079 119.950 0.019 0.000 2.425 72 F HA 0.872 5.398 4.527 -0.001 0.000 0.331 72 F C 0.918 176.728 175.800 0.017 0.000 1.085 72 F CA -0.257 57.756 58.000 0.021 0.000 1.028 72 F CB 1.903 40.915 39.000 0.020 0.000 1.177 72 F HN 0.546 8.846 8.300 -0.000 0.000 0.487 73 G N 0.346 109.261 108.800 0.192 0.000 2.367 73 G HA2 0.415 4.374 3.960 -0.002 0.000 0.272 73 G HA3 0.415 4.374 3.960 -0.002 0.000 0.272 73 G C -1.343 173.607 174.900 0.084 0.000 1.271 73 G CA -0.377 44.793 45.100 0.117 0.000 0.893 73 G HN 0.758 9.048 8.290 -0.000 0.000 0.485 74 T N -1.901 112.688 114.554 0.058 0.000 2.918 74 T HA 0.748 5.097 4.350 -0.002 0.000 0.286 74 T C -1.268 173.453 174.700 0.036 0.000 1.026 74 T CA -0.711 61.416 62.100 0.045 0.000 1.031 74 T CB 1.974 70.865 68.868 0.038 0.000 1.046 74 T HN 1.115 9.355 8.240 -0.000 0.000 0.479 75 L N 2.439 123.681 121.223 0.032 0.000 2.439 75 L HA 0.554 4.893 4.340 -0.002 0.000 0.270 75 L C 0.344 177.230 176.870 0.027 0.000 0.972 75 L CA 0.236 55.094 54.840 0.031 0.000 0.836 75 L CB 1.483 43.563 42.059 0.035 0.000 1.255 75 L HN 1.087 9.317 8.230 -0.000 0.000 0.404 76 S N 3.146 118.863 115.700 0.028 0.000 3.614 76 S HA -0.136 4.333 4.470 -0.002 0.000 0.360 76 S C 1.206 175.816 174.600 0.017 0.000 1.023 76 S CA 1.449 59.663 58.200 0.023 0.000 1.114 76 S CB -1.700 61.513 63.200 0.021 0.000 0.907 76 S HN 1.836 10.146 8.310 -0.000 0.000 0.470 77 G N -0.409 108.403 108.800 0.019 0.000 2.179 77 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.260 77 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.260 77 G C -0.048 174.862 174.900 0.017 0.000 0.977 77 G CA 0.393 45.503 45.100 0.017 0.000 0.641 77 G HN 0.613 8.903 8.290 -0.000 0.000 0.533 78 R N 0.501 121.011 120.500 0.017 0.000 2.532 78 R HA 0.478 4.817 4.340 -0.002 0.000 0.295 78 R C 0.198 176.516 176.300 0.031 0.000 0.968 78 R CA -0.763 55.348 56.100 0.018 0.000 0.916 78 R CB 0.956 31.260 30.300 0.006 0.000 1.124 78 R HN 0.332 8.602 8.270 -0.000 0.000 0.463 79 K N 1.564 121.988 120.400 0.039 0.000 2.379 79 K HA 0.237 4.556 4.320 -0.002 0.000 0.284 79 K C 0.369 177.008 176.600 0.065 0.000 1.044 79 K CA -0.252 56.073 56.287 0.062 0.000 0.974 79 K CB 0.670 33.213 32.500 0.071 0.000 0.962 79 K HN 0.448 8.698 8.250 -0.000 0.000 0.474 80 V N -0.572 119.384 119.914 0.071 0.000 3.130 80 V HA 0.657 4.776 4.120 -0.002 0.000 0.310 80 V C -1.124 174.964 176.094 -0.009 0.000 1.158 80 V CA -1.043 61.278 62.300 0.034 0.000 1.029 80 V CB 2.017 33.846 31.823 0.011 0.000 1.057 80 V HN 0.445 8.635 8.190 -0.000 0.000 0.436 81 V N 2.965 122.807 119.914 -0.119 0.000 2.444 81 V HA 0.700 4.819 4.120 -0.002 0.000 0.294 81 V C -0.676 175.256 176.094 -0.269 0.000 1.022 81 V CA -0.262 61.772 62.300 -0.443 0.000 0.850 81 V CB 1.722 33.190 31.823 -0.591 0.000 0.992 81 V HN 0.928 9.118 8.190 -0.000 0.000 0.426 82 V N 8.137 127.889 119.914 -0.270 0.000 2.383 82 V HA 0.419 4.538 4.120 -0.002 0.000 0.275 82 V C 0.310 176.337 176.094 -0.112 0.000 1.036 82 V CA -0.356 61.866 62.300 -0.131 0.000 0.889 82 V CB 1.522 33.293 31.823 -0.086 0.000 0.985 82 V HN 0.955 9.145 8.190 -0.000 0.000 0.459 83 M N 5.074 124.656 119.600 -0.029 0.000 2.077 83 M HA 0.329 4.808 4.480 -0.002 0.000 0.348 83 M C -0.112 176.220 176.300 0.054 0.000 1.252 83 M CA -0.065 55.275 55.300 0.067 0.000 1.096 83 M CB 0.415 33.081 32.600 0.110 0.000 1.568 83 M HN 0.765 9.055 8.290 -0.000 0.000 0.456 84 Q N 4.659 124.478 119.800 0.031 0.000 2.506 84 Q HA 0.546 4.885 4.340 -0.002 0.000 0.242 84 Q C -0.933 174.985 176.000 -0.137 0.000 1.060 84 Q CA -0.269 55.497 55.803 -0.061 0.000 0.826 84 Q CB 1.004 29.679 28.738 -0.105 0.000 1.169 84 Q HN 1.000 9.270 8.270 -0.000 0.000 0.521 85 G N 3.496 112.249 108.800 -0.077 0.000 3.220 85 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.636 85 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.636 85 G C -1.151 173.640 174.900 -0.181 0.000 1.226 85 G CA -0.948 44.063 45.100 -0.148 0.000 1.177 85 G HN 0.555 8.845 8.290 -0.000 0.000 0.527 86 R N 0.193 120.477 120.500 -0.360 0.000 2.797 86 R HA 0.799 5.138 4.340 -0.002 0.000 0.251 86 R C -0.737 175.023 176.300 -0.900 0.000 1.107 86 R CA -0.916 54.875 56.100 -0.516 0.000 1.084 86 R CB 1.193 31.213 30.300 -0.467 0.000 1.205 86 R HN 0.307 8.577 8.270 -0.000 0.000 0.515 87 F N 0.931 120.570 119.950 -0.518 0.000 2.451 87 F HA 0.302 4.828 4.527 -0.002 0.000 0.367 87 F C -0.250 175.369 175.800 -0.303 0.000 1.100 87 F CA -0.722 56.965 58.000 -0.522 0.000 1.171 87 F CB 0.674 39.246 39.000 -0.713 0.000 1.405 87 F HN 0.366 8.666 8.300 -0.000 0.000 0.482 88 H N 2.695 121.780 119.070 0.024 0.000 2.610 88 H HA 0.173 4.728 4.556 -0.001 0.000 0.336 88 H C 1.276 176.462 175.328 -0.236 0.000 1.087 88 H CA -0.526 55.337 56.048 -0.308 0.000 1.405 88 H CB 1.042 30.180 29.762 -1.040 0.000 1.460 88 H HN 0.450 8.730 8.280 -0.000 0.000 0.538 89 M N 2.117 121.692 119.600 -0.042 0.000 2.279 89 M HA -0.148 4.331 4.480 -0.002 0.000 0.264 89 M C 1.478 177.775 176.300 -0.006 0.000 1.062 89 M CA 1.301 56.616 55.300 0.025 0.000 1.099 89 M CB -0.769 31.879 32.600 0.079 0.000 1.394 89 M HN 0.784 9.074 8.290 -0.000 0.000 0.426 90 Y N 0.172 120.533 120.300 0.101 0.000 2.574 90 Y HA 0.041 4.591 4.550 0.000 0.000 0.294 90 Y C 1.638 177.524 175.900 -0.024 0.000 1.142 90 Y CA 0.365 58.475 58.100 0.016 0.000 1.314 90 Y CB -1.190 37.254 38.460 -0.027 0.000 0.991 90 Y HN 0.155 8.435 8.280 -0.000 0.000 0.555 91 E N 0.560 120.710 120.200 -0.084 0.000 2.481 91 E HA 0.122 4.471 4.350 -0.002 0.000 0.195 91 E C 1.789 178.201 176.600 -0.314 0.000 1.047 91 E CA 0.778 57.081 56.400 -0.162 0.000 0.867 91 E CB -0.046 29.471 29.700 -0.305 0.000 0.858 91 E HN 0.717 9.077 8.360 -0.000 0.000 0.513 92 G N 0.657 109.334 108.800 -0.205 0.000 2.179 92 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.220 92 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.220 92 G C -0.066 174.750 174.900 -0.140 0.000 0.990 92 G CA -0.181 44.824 45.100 -0.159 0.000 0.646 92 G HN 0.154 8.444 8.290 -0.000 0.000 0.517 93 Y N 2.476 122.780 120.300 0.006 0.000 2.702 93 Y HA 0.372 4.922 4.550 -0.001 0.000 0.336 93 Y C 1.552 177.428 175.900 -0.041 0.000 1.235 93 Y CA 0.181 58.279 58.100 -0.005 0.000 1.492 93 Y CB 0.518 39.001 38.460 0.039 0.000 1.308 93 Y HN 0.447 8.727 8.280 -0.000 0.000 0.589 94 S N 1.452 117.219 115.700 0.111 0.000 2.645 94 S HA 0.176 4.645 4.470 -0.002 0.000 0.266 94 S C 0.963 175.542 174.600 -0.035 0.000 1.258 94 S CA -0.780 57.427 58.200 0.012 0.000 0.990 94 S CB 0.839 64.025 63.200 -0.023 0.000 0.967 94 S HN 0.683 8.993 8.310 -0.000 0.000 0.556 95 N N 1.492 120.162 118.700 -0.051 0.000 2.104 95 N HA -0.129 4.610 4.740 -0.002 0.000 0.190 95 N C 1.099 176.522 175.510 -0.144 0.000 1.024 95 N CA 1.567 54.570 53.050 -0.079 0.000 0.853 95 N CB -0.687 37.760 38.487 -0.067 0.000 1.008 95 N HN 0.672 9.052 8.380 -0.000 0.000 0.424 96 D N 0.005 120.314 120.400 -0.152 0.000 2.144 96 D HA -0.066 4.573 4.640 -0.002 0.000 0.200 96 D C 1.570 177.687 176.300 -0.305 0.000 0.978 96 D CA 0.961 54.838 54.000 -0.204 0.000 0.833 96 D CB -0.193 40.509 40.800 -0.163 0.000 0.961 96 D HN 0.226 8.596 8.370 -0.000 0.000 0.470 97 T N 0.605 114.970 114.554 -0.315 0.000 2.708 97 T HA -0.089 4.260 4.350 -0.002 0.000 0.266 97 T C 2.240 176.524 174.700 -0.694 0.000 1.037 97 T CA 0.678 62.455 62.100 -0.540 0.000 1.146 97 T CB -0.124 68.474 68.868 -0.449 0.000 0.865 97 T HN -0.039 8.201 8.240 -0.000 0.000 0.435 98 V N 1.519 121.179 119.914 -0.423 0.000 2.427 98 V HA -0.111 4.008 4.120 -0.002 0.000 0.248 98 V C 2.788 178.682 176.094 -0.334 0.000 1.051 98 V CA 1.616 63.716 62.300 -0.333 0.000 1.048 98 V CB -1.070 30.664 31.823 -0.148 0.000 0.666 98 V HN 0.505 8.695 8.190 -0.000 0.000 0.456 99 A N -0.318 122.312 122.820 -0.317 0.000 1.929 99 A HA -0.121 4.198 4.320 -0.002 0.000 0.216 99 A C 2.204 179.560 177.584 -0.379 0.000 1.176 99 A CA 1.732 53.587 52.037 -0.304 0.000 0.628 99 A CB -0.465 18.369 19.000 -0.276 0.000 0.816 99 A HN 0.484 8.634 8.150 -0.000 0.000 0.444 100 L N 0.157 121.111 121.223 -0.448 0.000 1.989 100 L HA -0.092 4.247 4.340 -0.002 0.000 0.211 100 L C -0.751 175.851 176.870 -0.446 0.000 1.071 100 L CA 2.062 56.622 54.840 -0.467 0.000 0.749 100 L CB -0.836 40.919 42.059 -0.507 0.000 0.890 100 L HN 0.197 8.427 8.230 -0.000 0.000 0.431 101 P HA -0.194 4.226 4.420 -0.000 0.000 0.216 101 P C 1.730 178.946 177.300 -0.141 0.000 1.150 101 P CA 1.420 64.310 63.100 -0.350 0.000 0.843 101 P CB -0.136 31.337 31.700 -0.378 0.000 0.787 102 I N -0.774 119.684 120.570 -0.187 0.000 2.252 102 I HA -0.139 4.030 4.170 -0.002 0.000 0.245 102 I C 2.248 178.286 176.117 -0.131 0.000 1.102 102 I CA 1.473 62.698 61.300 -0.125 0.000 1.385 102 I CB -1.344 36.575 38.000 -0.137 0.000 1.064 102 I HN 0.009 8.219 8.210 -0.000 0.000 0.414 103 R N -0.028 120.319 120.500 -0.255 0.000 2.119 103 R HA -0.017 4.322 4.340 -0.002 0.000 0.222 103 R C 2.356 178.606 176.300 -0.084 0.000 1.088 103 R CA 0.628 56.528 56.100 -0.332 0.000 0.984 103 R CB -0.258 29.457 30.300 -0.975 0.000 0.884 103 R HN 0.163 8.433 8.270 -0.000 0.000 0.447 104 V N 1.497 121.368 119.914 -0.072 0.000 2.343 104 V HA -0.288 3.831 4.120 -0.002 0.000 0.247 104 V C 2.343 178.495 176.094 0.097 0.000 1.051 104 V CA 1.787 64.116 62.300 0.048 0.000 1.036 104 V CB -0.350 31.534 31.823 0.102 0.000 0.654 104 V HN 0.330 8.520 8.190 -0.000 0.000 0.451 105 M N -0.578 119.069 119.600 0.078 0.000 2.108 105 M HA -0.246 4.233 4.480 -0.002 0.000 0.261 105 M C 2.308 178.662 176.300 0.089 0.000 1.066 105 M CA 2.047 57.402 55.300 0.092 0.000 1.107 105 M CB -0.466 32.165 32.600 0.053 0.000 1.356 105 M HN 0.210 8.500 8.290 -0.000 0.000 0.406 106 K N 1.239 121.687 120.400 0.079 0.000 1.991 106 K HA -0.102 4.217 4.320 -0.002 0.000 0.212 106 K C 1.589 178.260 176.600 0.118 0.000 1.049 106 K CA 1.677 58.027 56.287 0.104 0.000 0.932 106 K CB -0.707 31.886 32.500 0.156 0.000 0.717 106 K HN 0.299 8.549 8.250 -0.000 0.000 0.441 107 L N 0.478 121.789 121.223 0.146 0.000 2.191 107 L HA -0.143 4.196 4.340 -0.002 0.000 0.212 107 L C 2.240 179.174 176.870 0.107 0.000 1.103 107 L CA 0.906 55.818 54.840 0.120 0.000 0.769 107 L CB -0.383 41.745 42.059 0.115 0.000 0.908 107 L HN 0.233 8.463 8.230 -0.000 0.000 0.438 108 L N -0.629 120.665 121.223 0.119 0.000 2.291 108 L HA -0.019 4.319 4.340 -0.002 0.000 0.214 108 L C 1.502 178.439 176.870 0.111 0.000 1.120 108 L CA 0.959 55.877 54.840 0.130 0.000 0.799 108 L CB -0.285 41.888 42.059 0.190 0.000 0.925 108 L HN 0.538 8.768 8.230 -0.000 0.000 0.446 109 G N -0.909 107.948 108.800 0.095 0.000 2.183 109 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.168 109 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.168 109 G C 0.110 175.050 174.900 0.066 0.000 1.008 109 G CA -0.304 44.840 45.100 0.073 0.000 0.677 109 G HN -0.006 8.284 8.290 -0.000 0.000 0.498 110 V N 1.767 121.725 119.914 0.073 0.000 2.585 110 V HA 0.277 4.396 4.120 -0.002 0.000 0.296 110 V C 1.298 177.415 176.094 0.039 0.000 1.035 110 V CA 0.560 62.894 62.300 0.056 0.000 1.084 110 V CB 1.418 33.274 31.823 0.055 0.000 0.953 110 V HN 0.237 8.427 8.190 -0.000 0.000 0.483 111 K N 4.209 124.625 120.400 0.026 0.000 2.365 111 K HA 0.439 4.758 4.320 -0.002 0.000 0.195 111 K C 0.052 176.656 176.600 0.007 0.000 1.079 111 K CA 0.603 56.900 56.287 0.015 0.000 0.979 111 K CB 0.733 33.238 32.500 0.009 0.000 0.929 111 K HN 0.535 8.785 8.250 -0.000 0.000 0.523 112 I N 1.621 122.195 120.570 0.007 0.000 2.534 112 I HA 0.209 4.378 4.170 -0.002 0.000 0.288 112 I C -1.432 174.693 176.117 0.014 0.000 1.077 112 I CA -1.180 60.122 61.300 0.002 0.000 1.051 112 I CB 2.406 40.396 38.000 -0.017 0.000 1.234 112 I HN -0.198 8.012 8.210 -0.000 0.000 0.425 113 L N 7.587 128.823 121.223 0.022 0.000 2.296 113 L HA 0.642 4.981 4.340 -0.002 0.000 0.286 113 L C -0.922 175.992 176.870 0.073 0.000 1.023 113 L CA -0.072 54.789 54.840 0.036 0.000 0.812 113 L CB 1.342 43.411 42.059 0.016 0.000 1.223 113 L HN 0.519 8.749 8.230 -0.000 0.000 0.421 114 M N 5.922 125.587 119.600 0.108 0.000 2.311 114 M HA 0.623 5.102 4.480 -0.002 0.000 0.325 114 M C -1.099 175.347 176.300 0.243 0.000 1.061 114 M CA -0.785 54.635 55.300 0.201 0.000 0.957 114 M CB 2.139 34.846 32.600 0.178 0.000 1.646 114 M HN 0.448 8.738 8.290 -0.000 0.000 0.434 115 V N 2.448 122.486 119.914 0.205 0.000 2.925 115 V HA 0.840 4.959 4.120 -0.002 0.000 0.311 115 V C -0.968 175.204 176.094 0.129 0.000 1.104 115 V CA -0.255 62.126 62.300 0.135 0.000 0.954 115 V CB 2.570 34.415 31.823 0.036 0.000 1.022 115 V HN 1.004 9.194 8.190 -0.000 0.000 0.427 116 S N 4.179 119.918 115.700 0.066 0.000 2.600 116 S HA 0.889 5.358 4.470 -0.002 0.000 0.300 116 S C -0.793 173.830 174.600 0.039 0.000 1.087 116 S CA -0.580 57.639 58.200 0.032 0.000 0.965 116 S CB 1.992 65.137 63.200 -0.092 0.000 1.089 116 S HN 1.403 9.713 8.310 -0.000 0.000 0.496 117 N N -0.418 118.326 118.700 0.073 0.000 2.934 117 N HA 0.680 5.419 4.740 -0.002 0.000 0.253 117 N C -1.441 174.166 175.510 0.161 0.000 1.466 117 N CA -0.884 52.239 53.050 0.122 0.000 0.858 117 N CB 1.048 39.614 38.487 0.132 0.000 1.459 117 N HN 0.937 9.317 8.380 -0.000 0.000 0.532 118 A N -0.544 122.382 122.820 0.177 0.000 2.312 118 A HA 0.926 5.245 4.320 -0.002 0.000 0.326 118 A C -0.494 177.211 177.584 0.201 0.000 1.172 118 A CA -0.104 52.036 52.037 0.172 0.000 0.821 118 A CB 0.286 19.379 19.000 0.155 0.000 1.166 118 A HN 1.152 9.302 8.150 -0.000 0.000 0.493 119 A N 1.006 123.930 122.820 0.172 0.000 2.594 119 A HA 0.817 5.136 4.320 -0.002 0.000 0.291 119 A C 0.072 177.703 177.584 0.078 0.000 1.105 119 A CA -0.099 52.022 52.037 0.140 0.000 0.694 119 A CB 1.078 20.183 19.000 0.175 0.000 1.291 119 A HN 1.874 10.024 8.150 -0.000 0.000 0.410 120 G N -0.259 108.565 108.800 0.040 0.000 2.395 120 G HA2 0.515 4.474 3.960 -0.002 0.000 0.283 120 G HA3 0.515 4.474 3.960 -0.002 0.000 0.283 120 G C 0.356 175.247 174.900 -0.015 0.000 1.178 120 G CA 0.172 45.277 45.100 0.009 0.000 0.837 120 G HN 1.331 9.621 8.290 -0.000 0.000 0.518 121 G N 1.050 109.834 108.800 -0.027 0.000 2.394 121 G HA2 0.373 4.332 3.960 -0.002 0.000 0.298 121 G HA3 0.373 4.332 3.960 -0.002 0.000 0.298 121 G C 0.873 175.750 174.900 -0.038 0.000 1.087 121 G CA -0.468 44.609 45.100 -0.039 0.000 1.035 121 G HN 0.525 8.815 8.290 -0.000 0.000 0.420 122 L N 2.493 123.696 121.223 -0.034 0.000 2.102 122 L HA 0.072 4.411 4.340 -0.002 0.000 0.202 122 L C 1.675 178.532 176.870 -0.022 0.000 1.076 122 L CA -0.015 54.808 54.840 -0.027 0.000 0.761 122 L CB -0.239 41.805 42.059 -0.025 0.000 0.921 122 L HN 0.455 8.685 8.230 -0.000 0.000 0.444 123 N N 1.342 120.030 118.700 -0.020 0.000 2.411 123 N HA -0.104 4.635 4.740 -0.002 0.000 0.261 123 N C 0.698 176.195 175.510 -0.022 0.000 1.248 123 N CA 0.262 53.305 53.050 -0.012 0.000 0.885 123 N CB 0.805 39.290 38.487 -0.004 0.000 1.062 123 N HN 0.079 8.459 8.380 -0.000 0.000 0.471 124 R N 1.738 122.232 120.500 -0.011 0.000 2.316 124 R HA -0.048 4.291 4.340 -0.002 0.000 0.202 124 R C 1.617 177.910 176.300 -0.012 0.000 1.029 124 R CA 0.599 56.691 56.100 -0.014 0.000 1.018 124 R CB -0.512 29.784 30.300 -0.006 0.000 0.888 124 R HN 0.714 8.984 8.270 -0.000 0.000 0.471 125 S N -0.274 115.424 115.700 -0.004 0.000 2.501 125 S HA 0.086 4.555 4.470 -0.002 0.000 0.220 125 S C 1.052 175.634 174.600 -0.029 0.000 0.997 125 S CA -0.185 58.024 58.200 0.015 0.000 0.919 125 S CB -0.092 63.148 63.200 0.066 0.000 0.778 125 S HN 0.090 8.400 8.310 -0.000 0.000 0.523 126 L N 1.996 123.157 121.223 -0.103 0.000 2.426 126 L HA 0.345 4.684 4.340 -0.002 0.000 0.271 126 L C 0.321 177.113 176.870 -0.129 0.000 1.169 126 L CA -0.030 54.685 54.840 -0.209 0.000 0.836 126 L CB 0.505 42.444 42.059 -0.200 0.000 1.112 126 L HN 0.150 8.380 8.230 -0.000 0.000 0.465 127 K N 2.175 122.490 120.400 -0.140 0.000 2.208 127 K HA 0.439 4.758 4.320 -0.002 0.000 0.247 127 K C -0.955 175.583 176.600 -0.102 0.000 0.953 127 K CA -1.272 54.961 56.287 -0.090 0.000 0.837 127 K CB 1.789 34.252 32.500 -0.062 0.000 1.131 127 K HN 0.167 8.417 8.250 -0.000 0.000 0.431 128 L N 1.676 122.850 121.223 -0.082 0.000 2.615 128 L HA -0.051 4.288 4.340 -0.002 0.000 0.284 128 L C 1.400 178.206 176.870 -0.106 0.000 1.237 128 L CA 1.957 56.749 54.840 -0.081 0.000 0.905 128 L CB -0.514 41.505 42.059 -0.068 0.000 1.149 128 L HN 1.050 9.280 8.230 -0.000 0.000 0.499 129 G N 2.189 110.918 108.800 -0.118 0.000 2.195 129 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.246 129 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.246 129 G C 0.302 174.996 174.900 -0.343 0.000 0.984 129 G CA 0.087 45.070 45.100 -0.194 0.000 0.633 129 G HN 0.583 8.873 8.290 -0.000 0.000 0.525 130 D N 0.013 120.272 120.400 -0.235 0.000 2.382 130 D HA 0.462 5.101 4.640 -0.002 0.000 0.240 130 D C 0.435 176.647 176.300 -0.147 0.000 1.146 130 D CA 0.288 54.151 54.000 -0.228 0.000 0.897 130 D CB 0.213 40.888 40.800 -0.210 0.000 1.197 130 D HN 0.214 8.584 8.370 -0.000 0.000 0.432 131 F N 0.508 120.562 119.950 0.173 0.000 2.404 131 F HA 0.304 4.830 4.527 -0.002 0.000 0.354 131 F C 0.253 176.218 175.800 0.274 0.000 1.122 131 F CA -0.969 57.195 58.000 0.273 0.000 1.080 131 F CB 1.200 40.437 39.000 0.396 0.000 1.131 131 F HN -0.131 8.169 8.300 -0.000 0.000 0.471 132 V N 5.903 126.058 119.914 0.401 0.000 2.294 132 V HA 0.250 4.369 4.120 -0.002 0.000 0.272 132 V C 0.301 176.535 176.094 0.234 0.000 1.027 132 V CA -0.718 61.752 62.300 0.282 0.000 0.823 132 V CB 0.918 32.840 31.823 0.165 0.000 1.030 132 V HN 0.580 8.770 8.190 -0.000 0.000 0.457 133 I N 5.443 126.167 120.570 0.257 0.000 2.598 133 I HA 0.037 4.206 4.170 -0.002 0.000 0.284 133 I C -0.063 176.036 176.117 -0.030 0.000 1.140 133 I CA -0.188 61.168 61.300 0.094 0.000 1.420 133 I CB 0.697 38.836 38.000 0.232 0.000 1.387 133 I HN 0.360 8.570 8.210 -0.000 0.000 0.553 134 L N 8.393 129.480 121.223 -0.226 0.000 2.418 134 L HA 0.047 4.386 4.340 -0.002 0.000 0.274 134 L C 1.305 177.899 176.870 -0.461 0.000 1.135 134 L CA 0.564 55.133 54.840 -0.451 0.000 0.870 134 L CB 0.311 41.832 42.059 -0.897 0.000 1.154 134 L HN 0.590 8.820 8.230 -0.000 0.000 0.462 135 K N 0.099 120.341 120.400 -0.262 0.000 2.355 135 K HA 0.343 4.662 4.320 -0.002 0.000 0.198 135 K C -0.167 176.428 176.600 -0.009 0.000 1.039 135 K CA -0.215 56.040 56.287 -0.054 0.000 1.075 135 K CB 0.820 33.340 32.500 0.033 0.000 0.870 135 K HN 0.457 8.707 8.250 -0.000 0.000 0.540 136 D N 0.194 120.477 120.400 -0.195 0.000 2.755 136 D HA 0.141 4.780 4.640 -0.002 0.000 0.277 136 D C -1.711 174.596 176.300 0.011 0.000 1.261 136 D CA -0.550 53.458 54.000 0.013 0.000 0.759 136 D CB 1.168 41.994 40.800 0.044 0.000 1.279 136 D HN 0.313 8.683 8.370 -0.000 0.000 0.420 137 H N -0.518 118.686 119.070 0.223 0.000 2.946 137 H HA 0.682 5.237 4.556 -0.001 0.000 0.365 137 H C -0.852 174.599 175.328 0.205 0.000 1.197 137 H CA -0.994 55.184 56.048 0.218 0.000 1.131 137 H CB 1.466 31.404 29.762 0.292 0.000 1.849 137 H HN 0.254 8.534 8.280 -0.000 0.000 0.555 138 I N 2.338 123.179 120.570 0.452 0.000 2.382 138 I HA 0.108 4.277 4.170 -0.002 0.000 0.286 138 I C -1.056 175.301 176.117 0.401 0.000 1.002 138 I CA -0.658 60.865 61.300 0.371 0.000 1.135 138 I CB 1.810 39.935 38.000 0.208 0.000 1.288 138 I HN 0.577 8.787 8.210 -0.000 0.000 0.448 139 Y N 7.241 127.691 120.300 0.249 0.000 2.802 139 Y HA 0.296 4.844 4.550 -0.002 0.000 0.330 139 Y C 0.971 176.923 175.900 0.087 0.000 1.193 139 Y CA -0.692 57.471 58.100 0.105 0.000 1.427 139 Y CB 0.621 39.126 38.460 0.075 0.000 1.357 139 Y HN 0.652 8.932 8.280 -0.000 0.000 0.501 140 L N 4.957 126.291 121.223 0.184 0.000 2.012 140 L HA -0.165 4.174 4.340 -0.002 0.000 0.210 140 L C -0.748 176.076 176.870 -0.076 0.000 1.073 140 L CA 1.210 56.080 54.840 0.050 0.000 0.748 140 L CB -1.610 40.484 42.059 0.058 0.000 0.891 140 L HN 0.469 8.699 8.230 -0.000 0.000 0.431 141 P HA -0.122 4.298 4.420 -0.000 0.000 0.218 141 P C 1.541 178.533 177.300 -0.512 0.000 1.149 141 P CA 1.625 64.579 63.100 -0.243 0.000 0.817 141 P CB -0.150 31.470 31.700 -0.132 0.000 0.785 142 G N -0.382 107.749 108.800 -1.114 0.000 2.403 142 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.216 142 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.216 142 G C 1.450 176.157 174.900 -0.322 0.000 1.154 142 G CA 0.336 44.852 45.100 -0.975 0.000 0.784 142 G HN 0.218 8.508 8.290 -0.000 0.000 0.538 143 L N 0.645 121.755 121.223 -0.189 0.000 2.141 143 L HA 0.065 4.404 4.340 -0.002 0.000 0.209 143 L C 2.582 179.414 176.870 -0.062 0.000 1.094 143 L CA 0.852 55.658 54.840 -0.057 0.000 0.763 143 L CB -0.285 41.775 42.059 0.000 0.000 0.908 143 L HN 0.305 8.535 8.230 -0.000 0.000 0.437 144 G N -1.181 107.564 108.800 -0.092 0.000 3.440 144 G HA2 0.279 4.238 3.960 -0.002 0.000 0.263 144 G HA3 0.279 4.238 3.960 -0.002 0.000 0.263 144 G C 0.968 175.824 174.900 -0.073 0.000 1.236 144 G CA -0.358 44.702 45.100 -0.067 0.000 0.927 144 G HN 0.306 8.596 8.290 -0.000 0.000 0.530 145 L N -1.799 119.374 121.223 -0.084 0.000 4.759 145 L HA -0.199 4.140 4.340 -0.002 0.000 0.419 145 L C 0.868 177.689 176.870 -0.081 0.000 1.093 145 L CA 0.560 55.359 54.840 -0.068 0.000 1.037 145 L CB -1.231 40.805 42.059 -0.038 0.000 2.095 145 L HN 0.427 8.657 8.230 -0.000 0.000 0.739 146 N N 0.001 118.625 118.700 -0.126 0.000 2.380 146 N HA 0.096 4.835 4.740 -0.002 0.000 0.255 146 N C 0.322 175.723 175.510 -0.181 0.000 1.158 146 N CA -0.310 52.669 53.050 -0.119 0.000 0.878 146 N CB 0.227 38.660 38.487 -0.090 0.000 1.138 146 N HN 0.216 8.596 8.380 -0.000 0.000 0.509 147 N N 1.820 120.398 118.700 -0.202 0.000 2.483 147 N HA -0.008 4.731 4.740 -0.002 0.000 0.264 147 N C 1.106 176.626 175.510 0.015 0.000 1.197 147 N CA 0.113 53.070 53.050 -0.155 0.000 0.927 147 N CB 0.866 39.312 38.487 -0.068 0.000 1.065 147 N HN 0.289 8.669 8.380 -0.000 0.000 0.461 148 I N 3.855 124.520 120.570 0.159 0.000 2.502 148 I HA -0.245 3.924 4.170 -0.002 0.000 0.258 148 I C 1.338 177.437 176.117 -0.030 0.000 1.172 148 I CA 1.196 62.533 61.300 0.062 0.000 1.430 148 I CB 0.246 38.283 38.000 0.061 0.000 1.086 148 I HN 0.602 8.812 8.210 -0.000 0.000 0.440 149 L N 0.170 121.374 121.223 -0.032 0.000 2.591 149 L HA 0.109 4.448 4.340 -0.002 0.000 0.228 149 L C 0.616 177.427 176.870 -0.099 0.000 1.133 149 L CA -0.400 54.367 54.840 -0.121 0.000 0.880 149 L CB 0.121 42.082 42.059 -0.164 0.000 1.033 149 L HN -0.074 8.156 8.230 -0.000 0.000 0.450 150 V N 0.983 120.861 119.914 -0.061 0.000 2.673 150 V HA 0.414 4.533 4.120 -0.002 0.000 0.303 150 V C 0.863 176.921 176.094 -0.060 0.000 1.046 150 V CA 0.795 63.063 62.300 -0.053 0.000 1.126 150 V CB 0.190 31.988 31.823 -0.041 0.000 0.934 150 V HN 0.549 8.739 8.190 -0.000 0.000 0.487 151 G N 6.027 114.793 108.800 -0.057 0.000 2.434 151 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.671 151 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.671 151 G C -3.101 171.762 174.900 -0.063 0.000 1.280 151 G CA -0.942 44.126 45.100 -0.053 0.000 0.975 151 G HN 0.669 8.959 8.290 -0.000 0.000 0.510 152 P HA 0.251 4.671 4.420 -0.000 0.000 0.264 152 P C 0.062 177.331 177.300 -0.053 0.000 1.193 152 P CA -0.073 62.999 63.100 -0.046 0.000 0.763 152 P CB 0.386 32.069 31.700 -0.029 0.000 0.810 153 N N 2.646 121.310 118.700 -0.060 0.000 2.513 153 N HA -0.016 4.723 4.740 -0.002 0.000 0.268 153 N C -0.240 175.291 175.510 0.034 0.000 1.180 153 N CA -0.010 53.019 53.050 -0.035 0.000 0.948 153 N CB 0.249 38.709 38.487 -0.044 0.000 1.083 153 N HN 0.160 8.540 8.380 -0.000 0.000 0.455 154 Q N 2.708 122.574 119.800 0.109 0.000 2.472 154 Q HA 0.060 4.399 4.340 -0.002 0.000 0.227 154 Q C 0.292 176.414 176.000 0.204 0.000 1.156 154 Q CA -0.149 55.767 55.803 0.188 0.000 0.924 154 Q CB 0.652 29.589 28.738 0.333 0.000 1.354 154 Q HN 0.679 8.949 8.270 -0.000 0.000 0.525 155 E N 1.268 121.513 120.200 0.076 0.000 2.209 155 E HA -0.181 4.168 4.350 -0.002 0.000 0.196 155 E C 1.470 178.037 176.600 -0.055 0.000 0.993 155 E CA 1.058 57.470 56.400 0.020 0.000 0.819 155 E CB -0.036 29.657 29.700 -0.012 0.000 0.745 155 E HN 0.579 8.939 8.360 -0.000 0.000 0.477 156 A N 0.426 123.169 122.820 -0.129 0.000 1.986 156 A HA -0.170 4.149 4.320 -0.002 0.000 0.220 156 A C 1.766 179.047 177.584 -0.505 0.000 1.171 156 A CA 1.331 53.143 52.037 -0.374 0.000 0.640 156 A CB -0.526 18.124 19.000 -0.583 0.000 0.811 156 A HN 0.183 8.333 8.150 -0.000 0.000 0.451 157 F N -1.736 118.201 119.950 -0.021 0.000 2.559 157 F HA 0.434 4.960 4.527 -0.001 0.000 0.286 157 F C 1.409 177.042 175.800 -0.277 0.000 1.108 157 F CA 0.636 58.600 58.000 -0.059 0.000 1.436 157 F CB 0.194 39.230 39.000 0.061 0.000 1.130 157 F HN 0.383 8.683 8.300 -0.000 0.000 0.584 158 G N -1.169 107.472 108.800 -0.265 0.000 2.441 158 G HA2 0.365 4.324 3.960 -0.002 0.000 0.294 158 G HA3 0.365 4.324 3.960 -0.002 0.000 0.294 158 G C -1.374 173.343 174.900 -0.306 0.000 1.393 158 G CA -0.602 44.061 45.100 -0.729 0.000 0.796 158 G HN -0.162 8.128 8.290 -0.000 0.000 0.494 159 T N -1.176 113.266 114.554 -0.186 0.000 2.849 159 T HA 0.372 4.721 4.350 -0.002 0.000 0.284 159 T C 1.776 176.538 174.700 0.103 0.000 1.004 159 T CA -0.007 62.099 62.100 0.010 0.000 1.021 159 T CB 1.223 70.107 68.868 0.027 0.000 1.013 159 T HN 0.666 8.906 8.240 -0.000 0.000 0.527 160 R N 1.328 121.797 120.500 -0.052 0.000 2.081 160 R HA 0.047 4.386 4.340 -0.002 0.000 0.235 160 R C -0.067 175.939 176.300 -0.490 0.000 1.131 160 R CA 1.715 57.608 56.100 -0.345 0.000 0.960 160 R CB -0.338 29.583 30.300 -0.631 0.000 0.856 160 R HN 0.556 8.826 8.270 -0.000 0.000 0.436 161 F N 2.264 122.269 119.950 0.093 0.000 2.366 161 F HA 0.435 4.961 4.527 -0.002 0.000 0.357 161 F C -2.042 173.813 175.800 0.092 0.000 1.107 161 F CA -2.983 55.066 58.000 0.081 0.000 1.208 161 F CB 0.994 40.026 39.000 0.055 0.000 1.464 161 F HN -0.020 8.280 8.300 -0.000 0.000 0.501 162 P HA 0.299 4.719 4.420 -0.000 0.000 0.271 162 P C -0.313 177.084 177.300 0.161 0.000 1.216 162 P CA -0.237 62.978 63.100 0.191 0.000 0.776 162 P CB 1.075 32.910 31.700 0.225 0.000 0.881 163 A N 2.742 125.629 122.820 0.112 0.000 2.322 163 A HA 0.410 4.729 4.320 -0.002 0.000 0.269 163 A C 0.475 178.095 177.584 0.059 0.000 1.094 163 A CA -0.512 51.574 52.037 0.082 0.000 0.807 163 A CB -0.056 18.977 19.000 0.056 0.000 1.047 163 A HN 0.615 8.765 8.150 -0.000 0.000 0.487 164 L N 1.655 122.903 121.223 0.042 0.000 3.110 164 L HA 0.171 4.510 4.340 -0.002 0.000 0.266 164 L C 0.954 177.807 176.870 -0.028 0.000 1.257 164 L CA -0.031 54.809 54.840 0.000 0.000 1.038 164 L CB 0.349 42.410 42.059 0.003 0.000 1.395 164 L HN 0.691 8.921 8.230 -0.000 0.000 0.566 165 S N 0.721 116.419 115.700 -0.003 0.000 2.549 165 S HA 0.024 4.493 4.470 -0.002 0.000 0.283 165 S C 1.084 175.679 174.600 -0.010 0.000 1.320 165 S CA -0.002 58.198 58.200 0.000 0.000 1.058 165 S CB 0.137 63.343 63.200 0.011 0.000 0.882 165 S HN 0.613 8.923 8.310 -0.000 0.000 0.498 166 N N 2.402 121.105 118.700 0.004 0.000 2.716 166 N HA -0.232 4.507 4.740 -0.002 0.000 0.250 166 N C 0.787 176.273 175.510 -0.039 0.000 1.033 166 N CA 0.960 54.016 53.050 0.011 0.000 0.727 166 N CB -1.245 37.250 38.487 0.013 0.000 0.950 166 N HN 0.730 9.110 8.380 -0.000 0.000 0.541 167 A N -0.841 121.915 122.820 -0.106 0.000 1.933 167 A HA -0.073 4.246 4.320 -0.002 0.000 0.218 167 A C 0.533 177.835 177.584 -0.470 0.000 1.175 167 A CA 1.209 53.063 52.037 -0.304 0.000 0.628 167 A CB -0.233 18.503 19.000 -0.441 0.000 0.814 167 A HN 0.455 8.605 8.150 -0.000 0.000 0.444 168 Y N 1.069 121.371 120.300 0.002 0.000 2.804 168 Y HA 0.219 4.768 4.550 -0.002 0.000 0.330 168 Y C 0.144 176.069 175.900 0.041 0.000 1.092 168 Y CA -1.292 56.818 58.100 0.016 0.000 1.315 168 Y CB 0.190 38.653 38.460 0.005 0.000 1.188 168 Y HN 0.246 8.526 8.280 -0.000 0.000 0.512 169 D N 3.932 124.395 120.400 0.105 0.000 2.662 169 D HA -0.124 4.515 4.640 -0.002 0.000 0.237 169 D C 1.301 177.666 176.300 0.108 0.000 1.154 169 D CA 0.324 54.372 54.000 0.079 0.000 0.861 169 D CB 0.818 41.649 40.800 0.052 0.000 1.146 169 D HN 0.761 9.131 8.370 -0.000 0.000 0.518 170 R N 3.347 123.897 120.500 0.083 0.000 2.120 170 R HA -0.151 4.188 4.340 -0.002 0.000 0.234 170 R C 0.879 177.218 176.300 0.065 0.000 1.123 170 R CA 0.948 57.098 56.100 0.083 0.000 0.975 170 R CB -0.050 30.287 30.300 0.063 0.000 0.866 170 R HN 0.317 8.587 8.270 -0.000 0.000 0.446 171 D N 1.450 121.874 120.400 0.040 0.000 2.117 171 D HA -0.079 4.560 4.640 -0.002 0.000 0.198 171 D C 2.180 178.479 176.300 -0.001 0.000 0.982 171 D CA 1.100 55.109 54.000 0.016 0.000 0.828 171 D CB -0.140 40.661 40.800 0.001 0.000 0.967 171 D HN 0.248 8.618 8.370 -0.000 0.000 0.464 172 L N 0.490 121.715 121.223 0.004 0.000 2.083 172 L HA -0.134 4.205 4.340 -0.002 0.000 0.209 172 L C 2.609 179.464 176.870 -0.025 0.000 1.083 172 L CA 1.082 55.886 54.840 -0.060 0.000 0.752 172 L CB -0.294 41.759 42.059 -0.010 0.000 0.899 172 L HN -0.037 8.193 8.230 -0.000 0.000 0.433 173 R N 0.193 120.778 120.500 0.140 0.000 2.066 173 R HA -0.183 4.156 4.340 -0.002 0.000 0.232 173 R C 2.347 178.727 176.300 0.133 0.000 1.131 173 R CA 1.352 57.584 56.100 0.221 0.000 0.955 173 R CB -0.278 30.151 30.300 0.215 0.000 0.851 173 R HN 0.263 8.533 8.270 -0.000 0.000 0.432 174 K N 0.909 121.355 120.400 0.076 0.000 2.032 174 K HA -0.191 4.128 4.320 -0.002 0.000 0.209 174 K C 2.087 178.701 176.600 0.023 0.000 1.048 174 K CA 1.280 57.596 56.287 0.048 0.000 0.927 174 K CB -0.158 32.360 32.500 0.029 0.000 0.712 174 K HN 0.015 8.265 8.250 -0.000 0.000 0.441 175 L N 1.132 122.341 121.223 -0.023 0.000 1.989 175 L HA -0.133 4.206 4.340 -0.002 0.000 0.211 175 L C 2.271 179.115 176.870 -0.043 0.000 1.071 175 L CA 2.269 57.072 54.840 -0.063 0.000 0.749 175 L CB -0.964 41.015 42.059 -0.133 0.000 0.890 175 L HN 0.261 8.491 8.230 -0.000 0.000 0.431 176 A N -1.157 121.607 122.820 -0.093 0.000 1.908 176 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 176 A C 2.295 180.120 177.584 0.403 0.000 1.181 176 A CA 2.218 54.274 52.037 0.031 0.000 0.627 176 A CB -1.205 17.715 19.000 -0.134 0.000 0.818 176 A HN 0.344 8.494 8.150 -0.000 0.000 0.445 177 V N -0.272 119.799 119.914 0.262 0.000 2.295 177 V HA -0.259 3.860 4.120 -0.002 0.000 0.246 177 V C 2.771 178.893 176.094 0.047 0.000 1.049 177 V CA 2.073 64.477 62.300 0.173 0.000 1.024 177 V CB -0.710 31.184 31.823 0.119 0.000 0.648 177 V HN 0.565 8.755 8.190 -0.000 0.000 0.447 178 Q N -0.178 119.644 119.800 0.037 0.000 2.045 178 Q HA -0.195 4.144 4.340 -0.002 0.000 0.206 178 Q C 2.353 178.332 176.000 -0.035 0.000 0.991 178 Q CA 2.112 57.909 55.803 -0.010 0.000 0.851 178 Q CB -0.566 28.168 28.738 -0.006 0.000 0.911 178 Q HN 0.554 8.825 8.270 -0.000 0.000 0.418 179 V N 0.885 120.812 119.914 0.022 0.000 2.343 179 V HA -0.271 3.848 4.120 -0.002 0.000 0.247 179 V C 2.433 178.422 176.094 -0.174 0.000 1.051 179 V CA 1.737 64.055 62.300 0.030 0.000 1.036 179 V CB -1.138 30.790 31.823 0.175 0.000 0.654 179 V HN 0.368 8.558 8.190 -0.000 0.000 0.451 180 A N -0.564 122.059 122.820 -0.328 0.000 1.902 180 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 180 A C 2.243 179.321 177.584 -0.843 0.000 1.181 180 A CA 1.715 53.044 52.037 -1.179 0.000 0.623 180 A CB -0.421 17.973 19.000 -1.010 0.000 0.818 180 A HN 0.506 8.656 8.150 -0.000 0.000 0.443 181 E N 0.082 120.046 120.200 -0.394 0.000 2.031 181 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 181 E C 1.945 178.422 176.600 -0.205 0.000 0.994 181 E CA 1.508 57.759 56.400 -0.248 0.000 0.800 181 E CB -0.440 29.179 29.700 -0.136 0.000 0.752 181 E HN 0.778 9.138 8.360 -0.000 0.000 0.447 182 E N 0.333 120.435 120.200 -0.163 0.000 2.204 182 E HA -0.145 4.204 4.350 -0.002 0.000 0.195 182 E C 1.094 177.643 176.600 -0.086 0.000 0.990 182 E CA 0.828 57.172 56.400 -0.094 0.000 0.821 182 E CB -0.170 29.497 29.700 -0.055 0.000 0.750 182 E HN 0.185 8.545 8.360 -0.000 0.000 0.477 183 N N -0.843 117.761 118.700 -0.160 0.000 2.268 183 N HA 0.111 4.850 4.740 -0.002 0.000 0.204 183 N C 0.316 175.833 175.510 0.012 0.000 1.124 183 N CA 0.462 53.490 53.050 -0.037 0.000 0.838 183 N CB 1.392 39.939 38.487 0.100 0.000 0.994 183 N HN 0.182 8.562 8.380 -0.000 0.000 0.489 184 G N 0.933 109.673 108.800 -0.100 0.000 2.147 184 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.244 184 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.244 184 G C 0.200 175.145 174.900 0.074 0.000 1.005 184 G CA 0.582 45.677 45.100 -0.008 0.000 0.713 184 G HN 0.505 8.795 8.290 -0.000 0.000 0.515 185 F N -1.796 118.115 119.950 -0.065 0.000 2.814 185 F HA 0.582 5.108 4.527 -0.001 0.000 0.326 185 F C 1.389 177.120 175.800 -0.116 0.000 1.159 185 F CA -0.298 57.653 58.000 -0.082 0.000 1.234 185 F CB -0.210 38.750 39.000 -0.067 0.000 1.016 185 F HN 0.074 8.374 8.300 -0.000 0.000 0.510 186 G N 2.073 110.708 108.800 -0.275 0.000 2.450 186 G HA2 -0.351 3.608 3.960 -0.002 0.000 0.220 186 G HA3 -0.351 3.608 3.960 -0.002 0.000 0.220 186 G C 1.558 176.397 174.900 -0.102 0.000 1.130 186 G CA 1.175 46.145 45.100 -0.217 0.000 0.760 186 G HN 0.572 8.862 8.290 -0.000 0.000 0.557 187 N N 0.843 119.511 118.700 -0.053 0.000 2.364 187 N HA -0.063 4.676 4.740 -0.002 0.000 0.183 187 N C 1.961 177.477 175.510 0.011 0.000 1.022 187 N CA 0.731 53.759 53.050 -0.036 0.000 0.883 187 N CB -0.375 38.107 38.487 -0.009 0.000 0.965 187 N HN 0.384 8.764 8.380 -0.000 0.000 0.438 188 L N 0.724 121.981 121.223 0.057 0.000 2.492 188 L HA 0.167 4.506 4.340 -0.002 0.000 0.223 188 L C 0.244 177.238 176.870 0.206 0.000 1.132 188 L CA 0.056 54.936 54.840 0.067 0.000 0.850 188 L CB 0.258 42.292 42.059 -0.041 0.000 0.966 188 L HN -0.060 8.170 8.230 -0.000 0.000 0.454 189 V N 0.288 120.297 119.914 0.159 0.000 2.370 189 V HA 0.279 4.398 4.120 -0.002 0.000 0.279 189 V C -0.101 176.077 176.094 0.139 0.000 1.029 189 V CA -0.556 61.883 62.300 0.233 0.000 0.870 189 V CB 1.014 32.884 31.823 0.078 0.000 0.984 189 V HN 0.171 8.361 8.190 -0.000 0.000 0.451 190 H N 3.286 122.458 119.070 0.170 0.000 2.812 190 H HA 0.612 5.168 4.556 -0.001 0.000 0.355 190 H C -1.071 174.350 175.328 0.154 0.000 1.207 190 H CA -0.953 55.172 56.048 0.128 0.000 1.217 190 H CB 2.557 32.376 29.762 0.096 0.000 1.874 190 H HN 0.552 8.832 8.280 -0.000 0.000 0.581 191 Q N 0.235 120.178 119.800 0.238 0.000 2.375 191 Q HA 0.591 4.930 4.340 -0.002 0.000 0.271 191 Q C -0.618 175.458 176.000 0.128 0.000 1.074 191 Q CA -1.052 54.851 55.803 0.166 0.000 0.808 191 Q CB 3.331 32.146 28.738 0.128 0.000 1.327 191 Q HN 0.863 9.133 8.270 -0.000 0.000 0.441 192 G N -0.004 108.843 108.800 0.079 0.000 2.600 192 G HA2 0.476 4.435 3.960 -0.002 0.000 0.293 192 G HA3 0.476 4.435 3.960 -0.002 0.000 0.293 192 G C -1.548 173.368 174.900 0.026 0.000 1.408 192 G CA -0.511 44.626 45.100 0.062 0.000 0.782 192 G HN 0.332 8.622 8.290 -0.000 0.000 0.482 193 V N 0.692 120.633 119.914 0.045 0.000 2.407 193 V HA 0.417 4.536 4.120 -0.002 0.000 0.278 193 V C -0.761 175.398 176.094 0.109 0.000 1.037 193 V CA -0.531 61.805 62.300 0.060 0.000 0.900 193 V CB 1.053 32.915 31.823 0.065 0.000 0.983 193 V HN 0.651 8.841 8.190 -0.000 0.000 0.459 194 Y N 5.055 125.351 120.300 -0.008 0.000 2.328 194 Y HA 0.647 5.196 4.550 -0.001 0.000 0.337 194 Y C -0.319 175.634 175.900 0.088 0.000 1.008 194 Y CA -0.627 57.486 58.100 0.023 0.000 1.129 194 Y CB 1.727 40.176 38.460 -0.019 0.000 1.185 194 Y HN 0.449 8.729 8.280 -0.000 0.000 0.476 195 V N 8.755 128.556 119.914 -0.190 0.000 2.483 195 V HA 0.421 4.540 4.120 -0.002 0.000 0.295 195 V C -0.605 175.355 176.094 -0.225 0.000 1.035 195 V CA -0.916 61.349 62.300 -0.058 0.000 0.896 195 V CB 1.443 33.251 31.823 -0.025 0.000 0.986 195 V HN 0.960 9.150 8.190 -0.000 0.000 0.447 196 M N 6.373 126.018 119.600 0.076 0.000 2.108 196 M HA 0.411 4.890 4.480 -0.002 0.000 0.354 196 M C -0.341 176.013 176.300 0.089 0.000 1.229 196 M CA -0.272 55.108 55.300 0.134 0.000 1.081 196 M CB 0.504 33.295 32.600 0.317 0.000 1.606 196 M HN 0.829 9.119 8.290 -0.000 0.000 0.467 197 N N 3.658 122.380 118.700 0.036 0.000 2.419 197 N HA 0.297 5.036 4.740 -0.002 0.000 0.264 197 N C 0.947 176.507 175.510 0.083 0.000 1.031 197 N CA 0.183 53.256 53.050 0.038 0.000 0.951 197 N CB 1.505 39.989 38.487 -0.005 0.000 1.101 197 N HN 0.800 9.180 8.380 -0.000 0.000 0.488 198 G N 2.503 111.356 108.800 0.090 0.000 2.469 198 G HA2 0.096 4.055 3.960 -0.002 0.000 0.220 198 G HA3 0.096 4.055 3.960 -0.002 0.000 0.220 198 G C 0.807 175.789 174.900 0.137 0.000 1.136 198 G CA 0.741 45.915 45.100 0.122 0.000 0.759 198 G HN 1.160 9.450 8.290 -0.000 0.000 0.562 199 G N -0.230 108.595 108.800 0.040 0.000 2.741 199 G HA2 -0.076 3.883 3.960 -0.002 0.000 0.222 199 G HA3 -0.076 3.883 3.960 -0.002 0.000 0.222 199 G C -1.210 173.664 174.900 -0.043 0.000 1.364 199 G CA 0.128 45.191 45.100 -0.062 0.000 0.866 199 G HN 0.471 8.761 8.290 -0.000 0.000 0.555 200 P HA 0.283 4.703 4.420 -0.000 0.000 0.262 200 P C 0.496 177.541 177.300 -0.426 0.000 1.304 200 P CA 0.046 62.877 63.100 -0.447 0.000 0.859 200 P CB -0.094 31.298 31.700 -0.512 0.000 1.310 201 C N 0.868 120.019 119.300 -0.249 0.000 2.637 201 C HA 0.186 4.645 4.460 -0.002 0.000 0.418 201 C C 1.107 175.967 174.990 -0.217 0.000 1.319 201 C CA -0.328 58.572 59.018 -0.197 0.000 1.949 201 C CB -1.393 26.300 27.740 -0.078 0.000 2.639 201 C HN 0.254 8.484 8.230 -0.000 0.000 0.594 202 Y N 1.053 121.302 120.300 -0.085 0.000 2.607 202 Y HA 0.101 4.648 4.550 -0.004 0.000 0.348 202 Y C 1.065 176.935 175.900 -0.050 0.000 1.261 202 Y CA 0.255 58.315 58.100 -0.066 0.000 1.480 202 Y CB 0.415 38.843 38.460 -0.052 0.000 1.358 202 Y HN 0.597 8.877 8.280 -0.000 0.000 0.630 203 E N 0.450 120.736 120.200 0.143 0.000 2.360 203 E HA 0.131 4.480 4.350 -0.002 0.000 0.269 203 E C 0.019 176.650 176.600 0.051 0.000 1.022 203 E CA -0.357 56.079 56.400 0.061 0.000 0.887 203 E CB 0.339 30.061 29.700 0.036 0.000 0.990 203 E HN 0.517 8.877 8.360 -0.000 0.000 0.426 204 T N 0.086 114.657 114.554 0.028 0.000 2.766 204 T HA 0.124 4.473 4.350 -0.002 0.000 0.295 204 T C -1.737 172.967 174.700 0.007 0.000 1.024 204 T CA -1.470 60.641 62.100 0.017 0.000 1.018 204 T CB 0.672 69.546 68.868 0.010 0.000 1.002 204 T HN 0.135 8.375 8.240 -0.000 0.000 0.532 205 P HA -0.055 4.365 4.420 -0.000 0.000 0.215 205 P C 1.745 179.043 177.300 -0.003 0.000 1.153 205 P CA 1.653 64.750 63.100 -0.006 0.000 0.853 205 P CB -0.372 31.323 31.700 -0.009 0.000 0.788 206 A N -0.159 122.661 122.820 -0.001 0.000 1.908 206 A HA -0.260 4.059 4.320 -0.002 0.000 0.218 206 A C 2.152 179.737 177.584 0.001 0.000 1.181 206 A CA 1.864 53.901 52.037 -0.000 0.000 0.627 206 A CB -1.291 17.709 19.000 0.000 0.000 0.818 206 A HN 0.189 8.339 8.150 -0.000 0.000 0.445 207 E N -1.020 119.182 120.200 0.002 0.000 2.072 207 E HA -0.167 4.182 4.350 -0.002 0.000 0.191 207 E C 2.053 178.654 176.600 0.001 0.000 0.985 207 E CA 1.280 57.682 56.400 0.003 0.000 0.801 207 E CB -0.324 29.379 29.700 0.006 0.000 0.750 207 E HN 0.683 9.043 8.360 -0.000 0.000 0.452 208 C N 0.241 119.540 119.300 -0.001 0.000 2.446 208 C HA -0.096 4.363 4.460 -0.002 0.000 0.277 208 C C 2.825 177.811 174.990 -0.006 0.000 1.275 208 C CA 1.055 60.070 59.018 -0.006 0.000 1.727 208 C CB -0.853 26.882 27.740 -0.009 0.000 2.010 208 C HN 0.511 8.741 8.230 -0.000 0.000 0.486 209 T N 0.923 115.475 114.554 -0.004 0.000 2.746 209 T HA -0.237 4.112 4.350 -0.002 0.000 0.267 209 T C 1.822 176.522 174.700 0.000 0.000 1.039 209 T CA 1.792 63.891 62.100 -0.003 0.000 1.142 209 T CB -0.360 68.507 68.868 -0.002 0.000 0.866 209 T HN 0.619 8.859 8.240 -0.000 0.000 0.444 210 M N 0.668 120.269 119.600 0.002 0.000 2.086 210 M HA -0.072 4.407 4.480 -0.002 0.000 0.261 210 M C 2.031 178.335 176.300 0.007 0.000 1.067 210 M CA 1.697 57.000 55.300 0.005 0.000 1.116 210 M CB -0.359 32.245 32.600 0.006 0.000 1.348 210 M HN 0.210 8.500 8.290 -0.000 0.000 0.407 211 L N 0.301 121.526 121.223 0.003 0.000 2.012 211 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 211 L C 2.585 179.457 176.870 0.003 0.000 1.073 211 L CA 0.961 55.803 54.840 0.002 0.000 0.748 211 L CB -1.034 41.019 42.059 -0.010 0.000 0.891 211 L HN 0.413 8.643 8.230 -0.000 0.000 0.431 212 L N 0.407 121.630 121.223 -0.001 0.000 2.012 212 L HA -0.235 4.104 4.340 -0.002 0.000 0.210 212 L C 2.181 179.056 176.870 0.008 0.000 1.073 212 L CA 1.887 56.728 54.840 0.002 0.000 0.748 212 L CB -0.882 41.176 42.059 -0.002 0.000 0.891 212 L HN 0.250 8.480 8.230 -0.000 0.000 0.431 213 N N -0.760 117.945 118.700 0.008 0.000 2.364 213 N HA -0.129 4.610 4.740 -0.002 0.000 0.183 213 N C 1.646 177.166 175.510 0.016 0.000 1.022 213 N CA 1.350 54.407 53.050 0.011 0.000 0.883 213 N CB -0.293 38.200 38.487 0.009 0.000 0.965 213 N HN 0.470 8.850 8.380 -0.000 0.000 0.438 214 M N -0.981 118.629 119.600 0.018 0.000 2.618 214 M HA 0.117 4.596 4.480 -0.002 0.000 0.240 214 M C 0.746 177.064 176.300 0.030 0.000 1.123 214 M CA 0.367 55.682 55.300 0.025 0.000 1.060 214 M CB 0.286 32.904 32.600 0.029 0.000 1.535 214 M HN 0.197 8.487 8.290 -0.000 0.000 0.507 215 G N 0.494 109.309 108.800 0.026 0.000 2.140 215 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.211 215 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.211 215 G C -0.210 174.710 174.900 0.032 0.000 1.013 215 G CA -0.507 44.611 45.100 0.029 0.000 0.705 215 G HN 0.474 8.764 8.290 -0.000 0.000 0.508 216 C N 0.568 119.883 119.300 0.024 0.000 2.401 216 C HA 0.575 5.034 4.460 -0.002 0.000 0.365 216 C C 1.371 176.366 174.990 0.009 0.000 1.250 216 C CA -0.409 58.621 59.018 0.019 0.000 2.131 216 C CB 1.191 28.932 27.740 0.002 0.000 2.445 216 C HN 0.484 8.714 8.230 -0.000 0.000 0.550 217 D N 0.353 120.761 120.400 0.013 0.000 2.323 217 D HA 0.072 4.711 4.640 -0.002 0.000 0.218 217 D C 0.487 176.782 176.300 -0.008 0.000 0.973 217 D CA 1.216 55.223 54.000 0.011 0.000 0.890 217 D CB 0.578 41.399 40.800 0.035 0.000 1.011 217 D HN 0.553 8.923 8.370 -0.000 0.000 0.499 218 V N -1.403 118.499 119.914 -0.021 0.000 3.078 218 V HA 0.696 4.815 4.120 -0.002 0.000 0.311 218 V C -0.627 175.340 176.094 -0.212 0.000 1.138 218 V CA -1.018 61.248 62.300 -0.057 0.000 1.007 218 V CB 2.592 34.432 31.823 0.028 0.000 1.045 218 V HN -0.180 8.010 8.190 -0.000 0.000 0.432 219 V N 1.854 121.630 119.914 -0.229 0.000 2.656 219 V HA 1.034 5.153 4.120 -0.002 0.000 0.307 219 V C 0.219 176.113 176.094 -0.333 0.000 1.051 219 V CA 0.795 62.883 62.300 -0.354 0.000 0.893 219 V CB 1.444 33.171 31.823 -0.160 0.000 0.999 219 V HN 1.689 9.879 8.190 -0.000 0.000 0.426 220 G N 4.394 112.884 108.800 -0.517 0.000 2.727 220 G HA2 0.539 4.498 3.960 -0.002 0.000 0.289 220 G HA3 0.539 4.498 3.960 -0.002 0.000 0.289 220 G C -0.648 174.286 174.900 0.057 0.000 1.418 220 G CA -0.663 44.390 45.100 -0.078 0.000 0.818 220 G HN 0.684 8.974 8.290 -0.000 0.000 0.486 221 M N 1.053 120.770 119.600 0.195 0.000 2.589 221 M HA 0.301 4.780 4.480 -0.002 0.000 0.344 221 M C 0.558 177.058 176.300 0.334 0.000 1.168 221 M CA -0.247 55.195 55.300 0.236 0.000 0.956 221 M CB 0.732 33.450 32.600 0.197 0.000 1.370 221 M HN 0.554 8.844 8.290 -0.000 0.000 0.518 222 S N -2.507 113.417 115.700 0.373 0.000 2.903 222 S HA 0.692 5.161 4.470 -0.002 0.000 0.314 222 S C 0.556 175.249 174.600 0.154 0.000 1.177 222 S CA 0.229 58.613 58.200 0.306 0.000 0.859 222 S CB 1.919 65.347 63.200 0.379 0.000 1.265 222 S HN 0.230 8.540 8.310 -0.000 0.000 0.584 223 T N 0.616 115.200 114.554 0.051 0.000 12.788 223 T HA -0.208 4.141 4.350 -0.002 0.000 0.415 223 T C 1.234 175.825 174.700 -0.182 0.000 1.469 223 T CA 1.456 63.496 62.100 -0.100 0.000 2.411 223 T CB -1.795 66.916 68.868 -0.263 0.000 2.796 223 T HN 0.659 8.899 8.240 -0.000 0.000 0.707 224 I N 2.153 122.571 120.570 -0.253 0.000 2.208 224 I HA -0.081 4.088 4.170 -0.002 0.000 0.245 224 I C -0.521 175.272 176.117 -0.541 0.000 1.097 224 I CA 1.797 62.792 61.300 -0.507 0.000 1.363 224 I CB -2.580 34.939 38.000 -0.802 0.000 1.051 224 I HN 0.358 8.568 8.210 -0.000 0.000 0.413 225 P HA -0.135 4.285 4.420 -0.000 0.000 0.217 225 P C 1.605 178.806 177.300 -0.166 0.000 1.150 225 P CA 1.356 64.323 63.100 -0.221 0.000 0.832 225 P CB 0.008 31.688 31.700 -0.033 0.000 0.787 226 E N -0.591 119.526 120.200 -0.137 0.000 2.058 226 E HA -0.132 4.217 4.350 -0.002 0.000 0.194 226 E C 1.977 178.508 176.600 -0.114 0.000 0.997 226 E CA 1.163 57.496 56.400 -0.112 0.000 0.801 226 E CB -0.789 28.862 29.700 -0.082 0.000 0.746 226 E HN -0.001 8.359 8.360 -0.000 0.000 0.450 227 V N 0.768 120.600 119.914 -0.137 0.000 2.392 227 V HA -0.243 3.876 4.120 -0.002 0.000 0.249 227 V C 2.267 178.291 176.094 -0.118 0.000 1.059 227 V CA 1.329 63.548 62.300 -0.135 0.000 1.051 227 V CB -0.373 31.367 31.823 -0.140 0.000 0.658 227 V HN 0.149 8.339 8.190 -0.000 0.000 0.455 228 V N -0.225 119.609 119.914 -0.134 0.000 2.295 228 V HA -0.222 3.897 4.120 -0.002 0.000 0.246 228 V C 2.321 178.404 176.094 -0.018 0.000 1.049 228 V CA 1.735 63.998 62.300 -0.062 0.000 1.024 228 V CB -0.488 31.289 31.823 -0.076 0.000 0.648 228 V HN 0.374 8.564 8.190 -0.000 0.000 0.447 229 I N 0.652 121.186 120.570 -0.060 0.000 2.226 229 I HA -0.226 3.943 4.170 -0.002 0.000 0.245 229 I C 2.726 178.845 176.117 0.004 0.000 1.100 229 I CA 1.950 63.222 61.300 -0.047 0.000 1.374 229 I CB -1.761 36.165 38.000 -0.123 0.000 1.057 229 I HN 0.305 8.515 8.210 -0.000 0.000 0.413 230 A N 0.992 123.792 122.820 -0.034 0.000 1.865 230 A HA -0.219 4.100 4.320 -0.002 0.000 0.217 230 A C 2.380 179.961 177.584 -0.005 0.000 1.191 230 A CA 1.531 53.553 52.037 -0.025 0.000 0.623 230 A CB -0.486 18.485 19.000 -0.048 0.000 0.826 230 A HN 0.237 8.387 8.150 -0.000 0.000 0.444 231 R N -0.783 119.708 120.500 -0.015 0.000 2.096 231 R HA -0.122 4.217 4.340 -0.002 0.000 0.235 231 R C 2.118 178.446 176.300 0.047 0.000 1.127 231 R CA 1.489 57.584 56.100 -0.008 0.000 0.968 231 R CB -1.284 28.995 30.300 -0.034 0.000 0.861 231 R HN 0.871 9.141 8.270 -0.000 0.000 0.440 232 H N 0.366 119.427 119.070 -0.015 0.000 2.387 232 H HA -0.108 4.447 4.556 -0.001 0.000 0.299 232 H C 1.146 176.496 175.328 0.036 0.000 1.090 232 H CA 1.814 57.867 56.048 0.010 0.000 1.332 232 H CB 0.282 30.045 29.762 0.001 0.000 1.386 232 H HN 0.325 8.605 8.280 -0.000 0.000 0.516 233 C N -0.586 118.726 119.300 0.021 0.000 2.688 233 C HA 0.576 5.035 4.460 -0.002 0.000 0.297 233 C C 1.482 176.474 174.990 0.004 0.000 1.308 233 C CA 0.172 59.197 59.018 0.011 0.000 1.726 233 C CB -0.730 27.102 27.740 0.154 0.000 1.982 233 C HN 0.707 8.937 8.230 -0.000 0.000 0.604 234 G N 1.600 110.391 108.800 -0.015 0.000 2.198 234 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.257 234 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.257 234 G C -0.281 174.617 174.900 -0.004 0.000 1.042 234 G CA 0.312 45.404 45.100 -0.014 0.000 0.791 234 G HN 0.748 9.038 8.290 -0.000 0.000 0.502 235 I N 0.158 120.726 120.570 -0.003 0.000 2.385 235 I HA 0.269 4.438 4.170 -0.002 0.000 0.294 235 I C 0.908 177.015 176.117 -0.017 0.000 0.988 235 I CA -0.673 60.625 61.300 -0.003 0.000 1.265 235 I CB 1.280 39.281 38.000 0.002 0.000 1.388 235 I HN 0.157 8.367 8.210 -0.000 0.000 0.480 236 Q N 3.851 123.644 119.800 -0.011 0.000 2.327 236 Q HA 0.410 4.749 4.340 -0.002 0.000 0.254 236 Q C -1.009 174.987 176.000 -0.007 0.000 0.952 236 Q CA -0.305 55.489 55.803 -0.014 0.000 0.884 236 Q CB 1.885 30.619 28.738 -0.006 0.000 1.224 236 Q HN 0.404 8.674 8.270 -0.000 0.000 0.422 237 V N 3.249 123.154 119.914 -0.015 0.000 2.540 237 V HA 0.466 4.585 4.120 -0.002 0.000 0.302 237 V C -1.060 175.106 176.094 0.119 0.000 1.035 237 V CA -0.722 61.580 62.300 0.002 0.000 0.873 237 V CB 1.265 33.013 31.823 -0.124 0.000 0.992 237 V HN 0.636 8.826 8.190 -0.000 0.000 0.428 238 F N 4.028 123.962 119.950 -0.027 0.000 2.493 238 F HA 0.850 5.376 4.527 -0.001 0.000 0.329 238 F C -0.092 175.711 175.800 0.005 0.000 1.126 238 F CA -0.375 57.605 58.000 -0.033 0.000 0.937 238 F CB 1.459 40.344 39.000 -0.191 0.000 1.146 238 F HN 0.604 8.904 8.300 -0.000 0.000 0.442 239 A N 5.432 127.832 122.820 -0.701 0.000 2.422 239 A HA 0.791 5.110 4.320 -0.002 0.000 0.302 239 A C -2.029 175.164 177.584 -0.651 0.000 1.041 239 A CA -0.661 51.091 52.037 -0.476 0.000 0.708 239 A CB 1.619 20.559 19.000 -0.100 0.000 1.257 239 A HN 0.629 8.779 8.150 -0.000 0.000 0.414 240 V N 1.361 121.047 119.914 -0.379 0.000 2.656 240 V HA 0.551 4.670 4.120 -0.002 0.000 0.307 240 V C 0.171 176.296 176.094 0.052 0.000 1.051 240 V CA -0.582 61.642 62.300 -0.127 0.000 0.893 240 V CB 2.099 33.947 31.823 0.041 0.000 0.999 240 V HN 0.873 9.063 8.190 -0.000 0.000 0.426 241 S N 4.440 120.223 115.700 0.138 0.000 2.480 241 S HA 0.536 5.005 4.470 -0.002 0.000 0.286 241 S C -0.393 174.378 174.600 0.286 0.000 1.180 241 S CA -0.407 57.920 58.200 0.211 0.000 1.075 241 S CB 1.028 64.386 63.200 0.263 0.000 0.996 241 S HN 0.615 8.925 8.310 -0.000 0.000 0.487 242 L N 4.775 126.161 121.223 0.272 0.000 2.281 242 L HA 0.372 4.711 4.340 -0.002 0.000 0.285 242 L C -0.670 176.295 176.870 0.159 0.000 1.074 242 L CA -0.527 54.484 54.840 0.285 0.000 0.817 242 L CB 0.887 43.100 42.059 0.258 0.000 1.168 242 L HN 0.377 8.607 8.230 -0.000 0.000 0.434 243 V N 5.003 124.973 119.914 0.093 0.000 2.377 243 V HA -0.011 4.108 4.120 -0.002 0.000 0.254 243 V C 1.472 177.571 176.094 0.009 0.000 1.060 243 V CA 0.471 62.789 62.300 0.030 0.000 1.068 243 V CB 0.419 32.224 31.823 -0.032 0.000 1.113 243 V HN 0.959 9.149 8.190 -0.000 0.000 0.484 244 T N 0.428 115.000 114.554 0.030 0.000 3.081 244 T HA 0.142 4.491 4.350 -0.002 0.000 0.250 244 T C 0.524 175.211 174.700 -0.021 0.000 1.100 244 T CA -0.026 62.081 62.100 0.012 0.000 1.038 244 T CB -0.125 68.767 68.868 0.041 0.000 0.962 244 T HN 0.706 8.946 8.240 -0.000 0.000 0.516 245 N N 0.403 119.086 118.700 -0.028 0.000 2.935 245 N HA 0.213 4.952 4.740 -0.002 0.000 0.248 245 N C -1.850 173.625 175.510 -0.058 0.000 1.276 245 N CA -0.858 52.155 53.050 -0.062 0.000 0.906 245 N CB 0.894 39.319 38.487 -0.104 0.000 1.564 245 N HN -0.083 8.297 8.380 -0.000 0.000 0.500 246 I N 1.383 121.912 120.570 -0.067 0.000 2.312 246 I HA 0.185 4.354 4.170 -0.002 0.000 0.291 246 I C 0.718 176.797 176.117 -0.064 0.000 1.031 246 I CA -0.411 60.853 61.300 -0.060 0.000 1.293 246 I CB 0.210 38.176 38.000 -0.056 0.000 1.403 246 I HN 0.428 8.638 8.210 -0.000 0.000 0.484 247 S N 5.232 120.901 115.700 -0.052 0.000 2.552 247 S HA 0.167 4.636 4.470 -0.002 0.000 0.289 247 S C 0.336 174.908 174.600 -0.046 0.000 1.304 247 S CA -0.500 57.671 58.200 -0.048 0.000 1.063 247 S CB 0.755 63.937 63.200 -0.031 0.000 0.848 247 S HN 0.365 8.675 8.310 -0.000 0.000 0.499 248 V N 5.309 125.192 119.914 -0.050 0.000 2.432 248 V HA 0.153 4.272 4.120 -0.002 0.000 0.271 248 V C 0.880 176.957 176.094 -0.028 0.000 1.046 248 V CA -0.089 62.186 62.300 -0.042 0.000 0.945 248 V CB 0.641 32.433 31.823 -0.050 0.000 0.992 248 V HN 0.821 9.011 8.190 -0.000 0.000 0.471 249 L N 2.165 123.374 121.223 -0.023 0.000 2.554 249 L HA 0.356 4.695 4.340 -0.002 0.000 0.225 249 L C 0.291 177.153 176.870 -0.014 0.000 1.104 249 L CA 0.274 55.104 54.840 -0.016 0.000 0.866 249 L CB 0.169 42.220 42.059 -0.014 0.000 1.047 249 L HN 0.544 8.774 8.230 -0.000 0.000 0.468 250 D N -0.286 120.104 120.400 -0.017 0.000 2.349 250 D HA 0.219 4.858 4.640 -0.002 0.000 0.232 250 D C 1.092 177.383 176.300 -0.015 0.000 1.071 250 D CA -0.199 53.792 54.000 -0.015 0.000 0.832 250 D CB 2.072 42.862 40.800 -0.016 0.000 1.086 250 D HN -0.199 8.171 8.370 -0.000 0.000 0.504 251 V N 3.026 122.934 119.914 -0.011 0.000 2.469 251 V HA -0.156 3.963 4.120 -0.002 0.000 0.251 251 V C 1.788 177.875 176.094 -0.012 0.000 1.064 251 V CA 1.249 63.543 62.300 -0.011 0.000 1.066 251 V CB -0.407 31.412 31.823 -0.007 0.000 0.667 251 V HN 0.527 8.717 8.190 -0.000 0.000 0.461 252 E N 0.652 120.845 120.200 -0.012 0.000 2.435 252 E HA 0.078 4.427 4.350 -0.002 0.000 0.195 252 E C 1.040 177.631 176.600 -0.015 0.000 1.029 252 E CA 0.153 56.545 56.400 -0.012 0.000 0.865 252 E CB -0.039 29.654 29.700 -0.011 0.000 0.833 252 E HN 0.648 9.008 8.360 -0.000 0.000 0.510 253 S N 0.932 116.621 115.700 -0.019 0.000 2.560 253 S HA 0.117 4.586 4.470 -0.002 0.000 0.284 253 S C 1.001 175.587 174.600 -0.025 0.000 1.327 253 S CA 0.548 58.734 58.200 -0.023 0.000 1.055 253 S CB 0.892 64.075 63.200 -0.028 0.000 0.868 253 S HN 0.477 8.787 8.310 -0.000 0.000 0.506 254 D N 0.664 121.049 120.400 -0.026 0.000 2.354 254 D HA 0.421 5.060 4.640 -0.002 0.000 0.209 254 D C 0.849 177.128 176.300 -0.035 0.000 1.015 254 D CA 0.572 54.556 54.000 -0.026 0.000 0.867 254 D CB -0.629 40.158 40.800 -0.023 0.000 0.933 254 D HN 0.807 9.177 8.370 -0.000 0.000 0.520 255 L N 1.227 122.425 121.223 -0.041 0.000 2.499 255 L HA 0.585 4.924 4.340 -0.002 0.000 0.273 255 L C 0.632 177.460 176.870 -0.069 0.000 1.195 255 L CA -0.164 54.643 54.840 -0.055 0.000 0.882 255 L CB -0.342 41.684 42.059 -0.056 0.000 1.133 255 L HN 0.585 8.815 8.230 -0.000 0.000 0.483 256 K N 2.928 123.275 120.400 -0.087 0.000 2.468 256 K HA 0.804 5.123 4.320 -0.002 0.000 0.252 256 K C -3.070 173.411 176.600 -0.199 0.000 0.932 256 K CA -1.801 54.416 56.287 -0.117 0.000 0.794 256 K CB 1.594 34.047 32.500 -0.078 0.000 1.241 256 K HN 0.454 8.704 8.250 -0.000 0.000 0.428 257 P HA 0.062 4.482 4.420 -0.000 0.000 0.268 257 P C -1.281 175.662 177.300 -0.595 0.000 1.205 257 P CA -0.179 62.530 63.100 -0.651 0.000 0.771 257 P CB 0.366 31.317 31.700 -1.247 0.000 0.858 258 N N 0.873 119.344 118.700 -0.382 0.000 2.308 258 N HA 0.063 4.802 4.740 -0.002 0.000 0.283 258 N C 0.178 175.744 175.510 0.094 0.000 1.105 258 N CA -0.545 52.470 53.050 -0.060 0.000 0.840 258 N CB 1.013 39.485 38.487 -0.025 0.000 1.633 258 N HN 0.333 8.713 8.380 -0.000 0.000 0.476 259 H N 0.671 119.843 119.070 0.170 0.000 2.491 259 H HA -0.033 4.522 4.556 -0.003 0.000 0.290 259 H C 1.444 176.808 175.328 0.060 0.000 1.050 259 H CA 1.841 57.979 56.048 0.150 0.000 1.309 259 H CB 0.426 30.253 29.762 0.108 0.000 1.392 259 H HN 0.752 9.032 8.280 -0.000 0.000 0.554 260 E N 0.805 120.996 120.200 -0.014 0.000 2.077 260 E HA -0.146 4.203 4.350 -0.002 0.000 0.193 260 E C 1.983 178.515 176.600 -0.113 0.000 0.989 260 E CA 1.614 57.964 56.400 -0.084 0.000 0.800 260 E CB -0.044 29.641 29.700 -0.026 0.000 0.746 260 E HN 0.662 9.022 8.360 -0.000 0.000 0.452 261 E N -0.646 119.505 120.200 -0.082 0.000 2.150 261 E HA -0.114 4.235 4.350 -0.002 0.000 0.193 261 E C 2.078 178.623 176.600 -0.091 0.000 0.985 261 E CA 0.959 57.310 56.400 -0.081 0.000 0.814 261 E CB 0.126 29.781 29.700 -0.075 0.000 0.752 261 E HN 0.127 8.487 8.360 -0.000 0.000 0.466 262 V N 1.568 121.420 119.914 -0.103 0.000 2.287 262 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 262 V C 2.321 178.329 176.094 -0.144 0.000 1.053 262 V CA 1.535 63.783 62.300 -0.085 0.000 1.027 262 V CB -0.452 31.368 31.823 -0.004 0.000 0.646 262 V HN 0.294 8.484 8.190 -0.000 0.000 0.447 263 L N -0.035 121.015 121.223 -0.289 0.000 2.083 263 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 263 L C 2.718 179.523 176.870 -0.109 0.000 1.083 263 L CA 1.521 56.231 54.840 -0.216 0.000 0.752 263 L CB -0.798 41.104 42.059 -0.263 0.000 0.899 263 L HN 0.383 8.613 8.230 -0.000 0.000 0.433 264 A N -0.387 122.373 122.820 -0.099 0.000 1.902 264 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 264 A C 2.360 179.915 177.584 -0.048 0.000 1.181 264 A CA 2.299 54.297 52.037 -0.064 0.000 0.623 264 A CB -0.840 18.124 19.000 -0.060 0.000 0.818 264 A HN 0.374 8.524 8.150 -0.000 0.000 0.443 265 T N -0.328 114.198 114.554 -0.047 0.000 2.821 265 T HA 0.012 4.361 4.350 -0.002 0.000 0.267 265 T C 1.976 176.672 174.700 -0.007 0.000 1.046 265 T CA 1.250 63.332 62.100 -0.030 0.000 1.139 265 T CB -0.583 68.267 68.868 -0.029 0.000 0.871 265 T HN 0.570 8.810 8.240 -0.000 0.000 0.454 266 G N 1.302 110.100 108.800 -0.003 0.000 2.440 266 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.218 266 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.218 266 G C 1.835 176.740 174.900 0.009 0.000 1.154 266 G CA 0.933 46.045 45.100 0.020 0.000 0.767 266 G HN 0.572 8.862 8.290 -0.000 0.000 0.552 267 A N 0.169 122.981 122.820 -0.014 0.000 1.877 267 A HA -0.095 4.224 4.320 -0.002 0.000 0.216 267 A C 2.310 179.888 177.584 -0.009 0.000 1.186 267 A CA 2.056 54.084 52.037 -0.016 0.000 0.620 267 A CB -0.466 18.518 19.000 -0.027 0.000 0.822 267 A HN 0.425 8.575 8.150 -0.000 0.000 0.443 268 Q N -1.400 118.393 119.800 -0.012 0.000 2.167 268 Q HA -0.018 4.321 4.340 -0.002 0.000 0.202 268 Q C 1.858 177.856 176.000 -0.002 0.000 0.970 268 Q CA 0.891 56.685 55.803 -0.014 0.000 0.855 268 Q CB 0.087 28.809 28.738 -0.027 0.000 0.911 268 Q HN 0.354 8.624 8.270 -0.000 0.000 0.438 269 R N -0.999 119.515 120.500 0.023 0.000 2.334 269 R HA 0.231 4.570 4.340 -0.002 0.000 0.216 269 R C 1.444 177.816 176.300 0.121 0.000 0.905 269 R CA 0.544 56.689 56.100 0.075 0.000 1.064 269 R CB 0.283 30.646 30.300 0.105 0.000 1.046 269 R HN 0.181 8.451 8.270 -0.000 0.000 0.508 270 A N 1.058 123.912 122.820 0.057 0.000 1.933 270 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 270 A C 2.064 179.660 177.584 0.021 0.000 1.175 270 A CA 1.513 53.567 52.037 0.028 0.000 0.628 270 A CB -0.237 18.762 19.000 -0.000 0.000 0.814 270 A HN 0.366 8.516 8.150 -0.000 0.000 0.444 271 E N -0.692 119.520 120.200 0.020 0.000 2.051 271 E HA -0.199 4.150 4.350 -0.002 0.000 0.192 271 E C 1.906 178.517 176.600 0.018 0.000 0.991 271 E CA 1.371 57.779 56.400 0.013 0.000 0.799 271 E CB -0.205 29.497 29.700 0.004 0.000 0.748 271 E HN 0.412 8.772 8.360 -0.000 0.000 0.449 272 L N 0.758 121.990 121.223 0.016 0.000 2.056 272 L HA -0.106 4.233 4.340 -0.002 0.000 0.207 272 L C 2.453 179.344 176.870 0.035 0.000 1.078 272 L CA 1.982 56.793 54.840 -0.048 0.000 0.749 272 L CB -0.558 41.450 42.059 -0.085 0.000 0.901 272 L HN 0.327 8.557 8.230 -0.000 0.000 0.433 273 M N -1.116 118.562 119.600 0.130 0.000 2.086 273 M HA -0.250 4.229 4.480 -0.002 0.000 0.261 273 M C 2.322 178.670 176.300 0.079 0.000 1.067 273 M CA 2.107 57.450 55.300 0.072 0.000 1.116 273 M CB -0.381 32.221 32.600 0.003 0.000 1.348 273 M HN 0.473 8.763 8.290 -0.000 0.000 0.407 274 Q N -0.587 119.221 119.800 0.013 0.000 2.030 274 Q HA -0.232 4.107 4.340 -0.002 0.000 0.204 274 Q C 2.117 178.202 176.000 0.142 0.000 0.986 274 Q CA 2.447 58.265 55.803 0.026 0.000 0.843 274 Q CB -0.443 28.297 28.738 0.002 0.000 0.904 274 Q HN 0.642 8.912 8.270 -0.000 0.000 0.420 275 S N -0.340 115.442 115.700 0.136 0.000 2.374 275 S HA -0.199 4.270 4.470 -0.002 0.000 0.227 275 S C 1.471 176.269 174.600 0.329 0.000 1.037 275 S CA 1.526 59.833 58.200 0.178 0.000 1.024 275 S CB -0.650 62.623 63.200 0.121 0.000 0.861 275 S HN 0.689 8.999 8.310 -0.000 0.000 0.456 276 W N 1.099 122.494 121.300 0.157 0.000 2.355 276 W HA 0.009 4.667 4.660 -0.002 0.000 0.309 276 W C 1.682 178.348 176.519 0.244 0.000 1.206 276 W CA 0.876 58.399 57.345 0.296 0.000 1.284 276 W CB -1.209 28.423 29.460 0.287 0.000 1.145 276 W HN 0.364 8.544 8.180 -0.000 0.000 0.502 277 F N 1.091 121.041 119.950 0.000 0.000 2.146 277 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 277 F C 2.396 178.145 175.800 -0.084 0.000 1.096 277 F CA 2.113 60.011 58.000 -0.170 0.000 1.275 277 F CB -1.027 37.908 39.000 -0.108 0.000 1.008 277 F HN -0.054 8.246 8.300 -0.000 0.000 0.480 278 E N -0.107 120.207 120.200 0.190 0.000 2.077 278 E HA -0.224 4.125 4.350 -0.002 0.000 0.193 278 E C 2.085 178.728 176.600 0.072 0.000 0.989 278 E CA 1.377 57.842 56.400 0.109 0.000 0.800 278 E CB -0.116 29.650 29.700 0.110 0.000 0.746 278 E HN 0.366 8.726 8.360 -0.000 0.000 0.452 279 K N 0.196 120.667 120.400 0.118 0.000 2.167 279 K HA -0.037 4.282 4.320 -0.002 0.000 0.203 279 K C 2.068 178.681 176.600 0.022 0.000 1.052 279 K CA 0.618 56.967 56.287 0.104 0.000 0.956 279 K CB 0.038 32.657 32.500 0.198 0.000 0.735 279 K HN 0.080 8.330 8.250 -0.000 0.000 0.451 280 I N 1.051 121.581 120.570 -0.067 0.000 2.179 280 I HA -0.298 3.871 4.170 -0.002 0.000 0.242 280 I C 2.161 178.152 176.117 -0.209 0.000 1.088 280 I CA 1.343 62.499 61.300 -0.241 0.000 1.357 280 I CB -0.145 37.485 38.000 -0.617 0.000 1.051 280 I HN 0.110 8.320 8.210 -0.000 0.000 0.409 281 I N 0.458 120.926 120.570 -0.170 0.000 2.226 281 I HA -0.317 3.852 4.170 -0.002 0.000 0.245 281 I C 2.614 178.691 176.117 -0.066 0.000 1.100 281 I CA 1.520 62.750 61.300 -0.117 0.000 1.374 281 I CB -0.392 37.572 38.000 -0.061 0.000 1.057 281 I HN 0.323 8.533 8.210 -0.000 0.000 0.413 282 E N 1.415 121.594 120.200 -0.034 0.000 2.171 282 E HA -0.257 4.092 4.350 -0.002 0.000 0.197 282 E C 1.478 178.062 176.600 -0.026 0.000 0.997 282 E CA 1.326 57.717 56.400 -0.014 0.000 0.810 282 E CB 0.151 29.856 29.700 0.009 0.000 0.738 282 E HN 0.351 8.711 8.360 -0.000 0.000 0.467 283 K N 0.260 120.633 120.400 -0.045 0.000 2.358 283 K HA 0.177 4.496 4.320 -0.002 0.000 0.197 283 K C 0.251 176.812 176.600 -0.065 0.000 1.025 283 K CA -0.114 56.145 56.287 -0.047 0.000 1.104 283 K CB 0.407 32.881 32.500 -0.044 0.000 0.855 283 K HN 0.235 8.485 8.250 -0.000 0.000 0.531 284 L N 3.764 124.939 121.223 -0.080 0.000 2.534 284 L HA 0.032 4.371 4.340 -0.002 0.000 0.271 284 L C -1.973 174.866 176.870 -0.052 0.000 1.178 284 L CA -1.410 53.380 54.840 -0.083 0.000 0.907 284 L CB -0.134 41.871 42.059 -0.089 0.000 1.164 284 L HN -0.224 8.006 8.230 -0.000 0.000 0.482 285 P HA 0.223 4.643 4.420 -0.000 0.000 0.264 285 P C -0.129 177.157 177.300 -0.023 0.000 1.537 285 P CA 0.498 63.579 63.100 -0.031 0.000 1.189 285 P CB 0.360 32.043 31.700 -0.029 0.000 1.687 286 K N -0.220 120.168 120.400 -0.019 0.000 3.499 286 K HA 0.645 4.964 4.320 -0.002 0.000 0.407 286 K C -1.003 175.592 176.600 -0.008 0.000 0.972 286 K CA -0.008 56.272 56.287 -0.012 0.000 0.764 286 K CB -0.322 32.171 32.500 -0.012 0.000 1.440 286 K HN 0.225 8.475 8.250 -0.000 0.000 0.509 287 D N 0.000 120.398 120.400 -0.004 0.000 6.856 287 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 287 D CA 0.000 54.000 54.000 -0.001 0.000 0.868 287 D CB 0.000 40.801 40.800 0.001 0.000 0.688 287 D HN 0.000 8.370 8.370 -0.000 0.000 0.683