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 3l7e_1_H DATA FIRST_RESID 1 DATA SEQUENCE QVTLKESGPG ILQPSQTLSL TcSFSGFSLS TYGMGVGWIR QPSGKGLEWL DATA SEQUENCE AHIWWDDVKR YNPALKSRLT ISKDTSGSQV FLKIASVDTS DTATYYcARM DATA SEQUENCE GSDYDVWFDY WGQGTLVTVS AASTKGPSVF PLAPSSXXXX XGTAALGcLV DATA SEQUENCE KDYFPEPVTV SWNSGALTSG VHTFPAVLQS SGLYSLSSVV TVPSSSLGTQ DATA SEQUENCE TYIcNVNHKP SNTKVDKKVE P 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 1 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1 Q C 0.000 175.959 176.000 -0.068 0.000 1.003 1 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 1 Q CB 0.000 28.714 28.738 -0.039 0.000 1.108 2 V N 2.570 122.350 119.914 -0.223 0.000 2.408 2 V HA 0.392 4.513 4.120 0.001 0.000 0.267 2 V C -0.042 175.916 176.094 -0.226 0.000 1.047 2 V CA 0.323 62.434 62.300 -0.316 0.000 0.937 2 V CB 0.239 31.526 31.823 -0.893 0.000 0.999 2 V HN 0.730 8.920 8.190 0.000 0.000 0.472 3 T N 3.444 118.011 114.554 0.021 0.000 2.906 3 T HA 0.867 5.218 4.350 0.001 0.000 0.295 3 T C -1.025 173.791 174.700 0.195 0.000 1.061 3 T CA -0.823 61.326 62.100 0.082 0.000 1.000 3 T CB 1.943 70.851 68.868 0.068 0.000 1.103 3 T HN 0.196 8.436 8.240 0.000 0.000 0.486 4 L N 0.968 122.297 121.223 0.177 0.000 2.371 4 L HA 0.826 5.166 4.340 0.001 0.000 0.262 4 L C -0.460 176.483 176.870 0.123 0.000 1.006 4 L CA -0.840 54.112 54.840 0.187 0.000 0.818 4 L CB 2.300 44.447 42.059 0.147 0.000 1.354 4 L HN 0.915 9.145 8.230 0.000 0.000 0.415 5 K N 1.023 121.479 120.400 0.092 0.000 2.553 5 K HA 0.554 4.875 4.320 0.001 0.000 0.250 5 K C -1.451 175.186 176.600 0.063 0.000 0.953 5 K CA -0.542 55.787 56.287 0.070 0.000 0.800 5 K CB 1.630 34.160 32.500 0.052 0.000 1.243 5 K HN 0.554 8.804 8.250 0.000 0.000 0.435 6 E N 1.246 121.497 120.200 0.085 0.000 2.301 6 E HA 0.319 4.669 4.350 0.001 0.000 0.275 6 E C -0.977 175.694 176.600 0.119 0.000 1.030 6 E CA -0.386 56.105 56.400 0.151 0.000 0.852 6 E CB 1.622 31.447 29.700 0.208 0.000 1.060 6 E HN 0.557 8.917 8.360 0.000 0.000 0.401 7 S N 0.374 116.155 115.700 0.135 0.000 2.536 7 S HA 0.920 5.391 4.470 0.001 0.000 0.287 7 S C -0.111 174.516 174.600 0.045 0.000 1.101 7 S CA -0.644 57.597 58.200 0.068 0.000 0.950 7 S CB 2.024 65.251 63.200 0.044 0.000 1.056 7 S HN 0.625 8.935 8.310 0.000 0.000 0.481 8 G N 0.607 109.401 108.800 -0.009 0.000 2.663 8 G HA2 0.654 4.615 3.960 0.001 0.000 0.299 8 G HA3 0.654 4.615 3.960 0.001 0.000 0.299 8 G C -2.819 172.040 174.900 -0.069 0.000 1.372 8 G CA -1.153 43.909 45.100 -0.064 0.000 0.781 8 G HN 0.487 8.777 8.290 0.000 0.000 0.491 9 P HA 0.141 4.561 4.420 0.000 0.000 0.231 9 P C 1.538 178.792 177.300 -0.076 0.000 1.168 9 P CA 1.543 64.598 63.100 -0.076 0.000 0.779 9 P CB 0.429 32.082 31.700 -0.078 0.000 0.844 10 G N 0.028 108.778 108.800 -0.083 0.000 2.708 10 G HA2 -0.303 3.657 3.960 0.001 0.000 0.229 10 G HA3 -0.303 3.657 3.960 0.001 0.000 0.229 10 G C 0.129 174.985 174.900 -0.074 0.000 1.236 10 G CA 0.295 45.344 45.100 -0.086 0.000 0.749 10 G HN 0.513 8.803 8.290 0.000 0.000 0.515 11 I N 1.046 121.584 120.570 -0.055 0.000 2.827 11 I HA 0.703 4.874 4.170 0.001 0.000 0.298 11 I C -0.889 175.222 176.117 -0.010 0.000 1.235 11 I CA -1.094 60.195 61.300 -0.018 0.000 1.021 11 I CB 1.872 39.883 38.000 0.019 0.000 1.259 11 I HN 0.769 8.979 8.210 0.000 0.000 0.427 12 L N 3.426 124.652 121.223 0.006 0.000 2.671 12 L HA 0.561 4.901 4.340 0.001 0.000 0.259 12 L C -1.607 175.275 176.870 0.021 0.000 1.021 12 L CA -0.941 53.900 54.840 0.002 0.000 0.871 12 L CB 1.960 44.000 42.059 -0.031 0.000 1.472 12 L HN 0.463 8.693 8.230 0.000 0.000 0.410 13 Q N 1.064 120.872 119.800 0.014 0.000 2.373 13 Q HA 0.386 4.727 4.340 0.001 0.000 0.255 13 Q C -2.362 173.645 176.000 0.012 0.000 0.980 13 Q CA -1.429 54.386 55.803 0.020 0.000 0.882 13 Q CB 0.708 29.453 28.738 0.012 0.000 1.249 13 Q HN 0.444 8.714 8.270 0.000 0.000 0.438 14 P HA -0.118 4.302 4.420 0.000 0.000 0.266 14 P C 0.212 177.512 177.300 0.000 0.000 1.193 14 P CA 0.939 64.046 63.100 0.012 0.000 0.770 14 P CB 0.459 32.169 31.700 0.016 0.000 0.836 15 S N -0.781 114.916 115.700 -0.005 0.000 2.981 15 S HA -0.253 4.217 4.470 0.001 0.000 0.274 15 S C 0.301 174.888 174.600 -0.022 0.000 1.297 15 S CA 0.865 59.057 58.200 -0.013 0.000 1.266 15 S CB -2.296 60.898 63.200 -0.011 0.000 1.542 15 S HN 0.606 8.916 8.310 0.000 0.000 0.674 16 Q N 1.023 120.809 119.800 -0.024 0.000 2.318 16 Q HA 0.467 4.808 4.340 0.001 0.000 0.222 16 Q C -0.146 175.824 176.000 -0.049 0.000 1.003 16 Q CA 0.055 55.838 55.803 -0.034 0.000 0.936 16 Q CB 0.608 29.327 28.738 -0.032 0.000 1.204 16 Q HN 0.427 8.697 8.270 0.000 0.000 0.524 17 T N 1.946 116.464 114.554 -0.059 0.000 2.749 17 T HA 0.231 4.582 4.350 0.001 0.000 0.295 17 T C -0.378 174.262 174.700 -0.100 0.000 0.936 17 T CA -0.468 61.585 62.100 -0.078 0.000 1.060 17 T CB 0.146 68.967 68.868 -0.077 0.000 0.904 17 T HN 0.227 8.467 8.240 0.000 0.000 0.500 18 L N 4.378 125.523 121.223 -0.129 0.000 2.361 18 L HA 0.460 4.800 4.340 0.001 0.000 0.278 18 L C 0.286 177.033 176.870 -0.206 0.000 1.113 18 L CA 0.325 55.054 54.840 -0.185 0.000 0.849 18 L CB 0.858 42.764 42.059 -0.255 0.000 1.155 18 L HN 0.586 8.816 8.230 0.000 0.000 0.452 19 S N 6.542 122.129 115.700 -0.188 0.000 2.596 19 S HA 0.705 5.176 4.470 0.001 0.000 0.318 19 S C -0.920 173.579 174.600 -0.169 0.000 1.097 19 S CA -0.699 57.405 58.200 -0.159 0.000 1.080 19 S CB 0.298 63.437 63.200 -0.102 0.000 0.991 19 S HN 0.602 8.912 8.310 0.000 0.000 0.471 20 L N 3.771 124.858 121.223 -0.228 0.000 2.362 20 L HA 0.630 4.971 4.340 0.001 0.000 0.271 20 L C -0.186 176.678 176.870 -0.011 0.000 1.002 20 L CA -0.575 54.125 54.840 -0.233 0.000 0.818 20 L CB 2.625 44.312 42.059 -0.621 0.000 1.298 20 L HN 0.560 8.790 8.230 0.000 0.000 0.420 21 T N 0.675 115.338 114.554 0.182 0.000 2.841 21 T HA 0.329 4.680 4.350 0.001 0.000 0.283 21 T C -1.223 173.665 174.700 0.313 0.000 1.000 21 T CA -0.375 61.871 62.100 0.243 0.000 0.977 21 T CB 1.664 70.648 68.868 0.194 0.000 0.979 21 T HN 0.610 8.850 8.240 0.000 0.000 0.446 22 c N 3.446 122.160 118.600 0.190 0.000 2.322 22 c HA 0.745 5.316 4.570 0.001 0.000 0.324 22 c C 0.009 174.059 174.090 -0.066 0.000 1.249 22 c CA -0.326 56.042 56.329 0.065 0.000 1.453 22 c CB -0.719 41.709 42.510 -0.136 0.000 2.145 22 c HN 0.889 9.119 8.230 0.000 0.000 0.466 23 S N 4.845 120.499 115.700 -0.077 0.000 2.509 23 S HA 0.899 5.369 4.470 0.001 0.000 0.297 23 S C -0.824 173.705 174.600 -0.117 0.000 1.118 23 S CA -0.365 57.677 58.200 -0.262 0.000 1.074 23 S CB 0.945 64.040 63.200 -0.175 0.000 1.038 23 S HN 0.736 9.046 8.310 0.000 0.000 0.498 24 F N -1.025 118.823 119.950 -0.171 0.000 2.613 24 F HA 0.833 5.361 4.527 0.001 0.000 0.310 24 F C -0.350 175.327 175.800 -0.204 0.000 1.085 24 F CA -0.967 56.937 58.000 -0.161 0.000 0.945 24 F CB 1.072 39.961 39.000 -0.185 0.000 1.298 24 F HN 0.362 8.662 8.300 0.000 0.000 0.455 25 S N -0.318 115.450 115.700 0.114 0.000 2.600 25 S HA 0.725 5.196 4.470 0.001 0.000 0.300 25 S C 0.518 175.217 174.600 0.165 0.000 1.087 25 S CA -0.332 57.899 58.200 0.052 0.000 0.965 25 S CB 1.341 64.558 63.200 0.027 0.000 1.089 25 S HN 1.839 10.149 8.310 0.000 0.000 0.496 26 G N 0.421 109.292 108.800 0.118 0.000 2.176 26 G HA2 -0.185 3.776 3.960 0.001 0.000 0.253 26 G HA3 -0.185 3.776 3.960 0.001 0.000 0.253 26 G C -0.202 174.875 174.900 0.295 0.000 0.979 26 G CA 0.628 45.822 45.100 0.157 0.000 0.641 26 G HN 1.343 9.633 8.290 0.000 0.000 0.530 27 F N -1.346 118.634 119.950 0.050 0.000 2.817 27 F HA 0.846 5.374 4.527 0.002 0.000 0.317 27 F C -0.708 175.187 175.800 0.158 0.000 1.168 27 F CA -1.177 56.855 58.000 0.053 0.000 0.911 27 F CB 1.095 40.081 39.000 -0.023 0.000 1.337 27 F HN 0.637 8.937 8.300 0.000 0.000 0.464 28 S N 0.659 116.400 115.700 0.068 0.000 2.549 28 S HA 0.605 5.075 4.470 0.001 0.000 0.280 28 S C -0.517 174.176 174.600 0.156 0.000 1.109 28 S CA -0.528 57.699 58.200 0.044 0.000 0.905 28 S CB 1.640 64.875 63.200 0.058 0.000 1.081 28 S HN 0.830 9.140 8.310 0.000 0.000 0.477 29 L N 3.894 125.227 121.223 0.184 0.000 2.610 29 L HA 0.186 4.527 4.340 0.001 0.000 0.232 29 L C 2.078 179.094 176.870 0.244 0.000 1.149 29 L CA 1.027 55.999 54.840 0.221 0.000 0.872 29 L CB -0.212 41.979 42.059 0.221 0.000 0.992 29 L HN 0.825 9.055 8.230 0.000 0.000 0.447 30 S N -4.134 111.678 115.700 0.187 0.000 2.575 30 S HA 0.107 4.578 4.470 0.001 0.000 0.215 30 S C 0.936 175.623 174.600 0.145 0.000 0.966 30 S CA -0.305 58.006 58.200 0.185 0.000 0.911 30 S CB -0.451 62.829 63.200 0.133 0.000 0.780 30 S HN 0.267 8.577 8.310 0.000 0.000 0.514 31 T N 3.231 117.849 114.554 0.107 0.000 2.794 31 T HA 0.231 4.582 4.350 0.001 0.000 0.296 31 T C -0.485 174.133 174.700 -0.136 0.000 0.949 31 T CA -0.304 61.813 62.100 0.029 0.000 1.101 31 T CB 0.053 68.953 68.868 0.054 0.000 0.905 31 T HN 0.388 8.628 8.240 0.000 0.000 0.516 32 Y N 2.510 122.558 120.300 -0.419 0.000 2.810 32 Y HA 0.254 4.805 4.550 0.001 0.000 0.332 32 Y C 1.377 176.702 175.900 -0.958 0.000 1.243 32 Y CA 1.550 59.047 58.100 -1.005 0.000 1.537 32 Y CB -0.136 37.910 38.460 -0.691 0.000 1.265 32 Y HN 0.936 9.216 8.280 0.000 0.000 0.572 33 G N 4.302 111.820 108.800 -2.135 0.000 2.213 33 G HA2 -0.239 3.721 3.960 0.001 0.000 0.236 33 G HA3 -0.239 3.721 3.960 0.001 0.000 0.236 33 G C 0.011 174.744 174.900 -0.278 0.000 0.991 33 G CA 0.011 44.413 45.100 -1.163 0.000 0.629 33 G HN 0.530 8.820 8.290 0.000 0.000 0.517 34 M N 1.142 120.697 119.600 -0.075 0.000 2.240 34 M HA 0.580 5.061 4.480 0.001 0.000 0.333 34 M C 0.863 177.356 176.300 0.323 0.000 1.110 34 M CA 0.235 55.611 55.300 0.127 0.000 1.173 34 M CB 0.512 33.216 32.600 0.173 0.000 1.458 34 M HN 0.739 9.029 8.290 0.000 0.000 0.458 35 G N 0.823 109.645 108.800 0.036 0.000 2.704 35 G HA2 0.662 4.622 3.960 0.001 0.000 0.293 35 G HA3 0.662 4.622 3.960 0.001 0.000 0.293 35 G C -1.978 172.727 174.900 -0.326 0.000 1.421 35 G CA -0.497 44.445 45.100 -0.263 0.000 0.870 35 G HN 0.544 8.834 8.290 0.000 0.000 0.492 36 V N 0.156 119.869 119.914 -0.334 0.000 2.638 36 V HA 0.841 4.962 4.120 0.001 0.000 0.306 36 V C 0.580 176.518 176.094 -0.260 0.000 1.052 36 V CA -0.119 61.989 62.300 -0.320 0.000 0.885 36 V CB 1.770 33.395 31.823 -0.330 0.000 0.999 36 V HN 1.164 9.354 8.190 0.000 0.000 0.424 37 G N 2.499 111.155 108.800 -0.241 0.000 2.454 37 G HA2 0.633 4.594 3.960 0.001 0.000 0.329 37 G HA3 0.633 4.594 3.960 0.001 0.000 0.329 37 G C -1.906 172.759 174.900 -0.392 0.000 1.177 37 G CA -0.599 44.444 45.100 -0.094 0.000 0.951 37 G HN 0.580 8.870 8.290 0.000 0.000 0.485 38 W N 0.480 121.709 121.300 -0.118 0.000 2.429 38 W HA 0.654 5.314 4.660 0.001 0.000 0.314 38 W C -0.518 175.915 176.519 -0.142 0.000 1.062 38 W CA -0.436 56.838 57.345 -0.118 0.000 1.211 38 W CB 1.828 31.260 29.460 -0.047 0.000 1.305 38 W HN 0.183 8.363 8.180 0.000 0.000 0.476 39 I N 3.678 124.318 120.570 0.116 0.000 2.608 39 I HA 0.550 4.721 4.170 0.001 0.000 0.295 39 I C -0.146 176.095 176.117 0.207 0.000 1.049 39 I CA -1.234 60.138 61.300 0.119 0.000 1.063 39 I CB 1.929 39.944 38.000 0.025 0.000 1.248 39 I HN 0.393 8.603 8.210 0.000 0.000 0.424 40 R N 3.672 124.211 120.500 0.065 0.000 2.854 40 R HA 0.759 5.100 4.340 0.001 0.000 0.271 40 R C -1.239 175.064 176.300 0.006 0.000 0.994 40 R CA -0.909 55.100 56.100 -0.152 0.000 0.945 40 R CB 1.893 31.760 30.300 -0.721 0.000 1.194 40 R HN 0.657 8.927 8.270 0.000 0.000 0.476 41 Q N 2.271 122.067 119.800 -0.007 0.000 2.533 41 Q HA 0.379 4.720 4.340 0.001 0.000 0.251 41 Q C -2.528 173.474 176.000 0.004 0.000 0.966 41 Q CA -2.131 53.712 55.803 0.067 0.000 0.714 41 Q CB 2.080 30.945 28.738 0.212 0.000 1.284 41 Q HN 0.462 8.732 8.270 0.000 0.000 0.478 42 P HA -0.062 4.358 4.420 0.000 0.000 0.268 42 P C -0.526 176.796 177.300 0.037 0.000 1.208 42 P CA 0.054 63.161 63.100 0.012 0.000 0.777 42 P CB 0.826 32.538 31.700 0.020 0.000 0.875 43 S N 1.602 117.330 115.700 0.046 0.000 2.575 43 S HA 0.253 4.724 4.470 0.001 0.000 0.295 43 S C 1.659 176.290 174.600 0.052 0.000 1.267 43 S CA 1.132 59.364 58.200 0.053 0.000 1.074 43 S CB -1.421 61.818 63.200 0.064 0.000 0.829 43 S HN 0.856 9.166 8.310 0.000 0.000 0.497 44 G N 4.384 113.215 108.800 0.051 0.000 2.257 44 G HA2 -0.275 3.686 3.960 0.001 0.000 0.267 44 G HA3 -0.275 3.686 3.960 0.001 0.000 0.267 44 G C 0.252 175.177 174.900 0.042 0.000 0.984 44 G CA 0.923 46.050 45.100 0.046 0.000 0.626 44 G HN 0.685 8.975 8.290 0.000 0.000 0.540 45 K N 0.420 120.846 120.400 0.044 0.000 2.209 45 K HA 0.560 4.880 4.320 0.001 0.000 0.238 45 K C 1.106 177.734 176.600 0.047 0.000 1.028 45 K CA -0.288 56.025 56.287 0.043 0.000 0.935 45 K CB 0.605 33.130 32.500 0.042 0.000 1.162 45 K HN 0.238 8.488 8.250 0.000 0.000 0.485 46 G N 0.324 109.154 108.800 0.050 0.000 2.562 46 G HA2 0.343 4.304 3.960 0.001 0.000 0.275 46 G HA3 0.343 4.304 3.960 0.001 0.000 0.275 46 G C -0.351 174.594 174.900 0.074 0.000 1.196 46 G CA -0.732 44.402 45.100 0.057 0.000 0.908 46 G HN 0.321 8.611 8.290 0.000 0.000 0.524 47 L N -0.151 121.126 121.223 0.089 0.000 2.439 47 L HA 0.337 4.678 4.340 0.001 0.000 0.269 47 L C 0.624 177.583 176.870 0.148 0.000 1.179 47 L CA 0.210 55.128 54.840 0.129 0.000 0.828 47 L CB 0.930 43.079 42.059 0.150 0.000 1.106 47 L HN 0.598 8.828 8.230 0.000 0.000 0.467 48 E N 1.802 122.096 120.200 0.157 0.000 2.260 48 E HA 0.131 4.482 4.350 0.001 0.000 0.266 48 E C -1.604 175.129 176.600 0.221 0.000 0.887 48 E CA -0.808 55.697 56.400 0.174 0.000 0.777 48 E CB 1.042 30.801 29.700 0.097 0.000 1.205 48 E HN 0.480 8.840 8.360 0.000 0.000 0.414 49 W N 6.722 128.093 121.300 0.119 0.000 2.216 49 W HA 0.241 4.902 4.660 0.000 0.000 0.326 49 W C -0.595 176.001 176.519 0.129 0.000 1.319 49 W CA -0.038 57.386 57.345 0.132 0.000 1.213 49 W CB 0.581 30.159 29.460 0.197 0.000 1.171 49 W HN 0.670 8.850 8.180 0.000 0.000 0.557 50 L N 4.268 125.077 121.223 -0.691 0.000 2.519 50 L HA 0.596 4.937 4.340 0.001 0.000 0.194 50 L C 0.804 177.065 176.870 -1.016 0.000 1.072 50 L CA 0.216 54.670 54.840 -0.644 0.000 0.845 50 L CB -0.674 41.270 42.059 -0.191 0.000 1.138 50 L HN 0.538 8.768 8.230 0.000 0.000 0.487 51 A N -0.860 121.455 122.820 -0.842 0.000 2.601 51 A HA 0.634 4.955 4.320 0.001 0.000 0.291 51 A C -1.655 175.905 177.584 -0.039 0.000 1.075 51 A CA -0.538 51.175 52.037 -0.540 0.000 0.671 51 A CB 1.032 19.856 19.000 -0.294 0.000 1.277 51 A HN 0.340 8.490 8.150 0.000 0.000 0.417 52 H N -0.328 118.761 119.070 0.032 0.000 3.008 52 H HA 0.833 5.390 4.556 0.001 0.000 0.354 52 H C -1.744 173.432 175.328 -0.254 0.000 1.252 52 H CA -0.792 55.218 56.048 -0.063 0.000 1.117 52 H CB 1.793 31.520 29.762 -0.059 0.000 1.857 52 H HN 0.849 9.129 8.280 0.000 0.000 0.547 53 I N 1.154 121.622 120.570 -0.170 0.000 2.686 53 I HA 0.342 4.513 4.170 0.001 0.000 0.295 53 I C -1.604 174.334 176.117 -0.299 0.000 1.114 53 I CA -0.791 60.399 61.300 -0.183 0.000 1.038 53 I CB 2.195 40.170 38.000 -0.041 0.000 1.238 53 I HN 0.600 8.810 8.210 0.000 0.000 0.420 54 W N 5.066 126.344 121.300 -0.037 0.000 2.578 54 W HA 0.331 4.992 4.660 0.001 0.000 0.364 54 W C 0.570 177.016 176.519 -0.122 0.000 1.144 54 W CA -0.426 56.854 57.345 -0.110 0.000 1.242 54 W CB 0.498 29.735 29.460 -0.373 0.000 1.382 54 W HN 0.700 8.880 8.180 0.000 0.000 0.625 55 W N 1.183 122.585 121.300 0.170 0.000 2.313 55 W HA -0.307 4.354 4.660 0.001 0.000 0.293 55 W C 1.230 177.787 176.519 0.062 0.000 1.216 55 W CA 1.967 59.354 57.345 0.070 0.000 1.223 55 W CB -0.663 28.792 29.460 -0.009 0.000 1.138 55 W HN 0.294 8.474 8.180 0.000 0.000 0.535 56 D N -0.424 119.380 120.400 -0.994 0.000 2.336 56 D HA -0.020 4.621 4.640 0.001 0.000 0.228 56 D C 0.539 176.658 176.300 -0.302 0.000 1.120 56 D CA 0.758 54.332 54.000 -0.711 0.000 0.839 56 D CB -0.839 39.340 40.800 -1.035 0.000 0.932 56 D HN 0.286 8.656 8.370 0.000 0.000 0.509 57 D N -1.059 119.245 120.400 -0.159 0.000 3.090 57 D HA -0.172 4.468 4.640 0.001 0.000 0.215 57 D C -0.901 175.383 176.300 -0.026 0.000 1.140 57 D CA 0.364 54.339 54.000 -0.042 0.000 0.937 57 D CB -1.365 39.427 40.800 -0.014 0.000 1.108 57 D HN 0.183 8.553 8.370 0.000 0.000 0.420 58 V N 0.769 120.665 119.914 -0.031 0.000 2.498 58 V HA 0.377 4.497 4.120 0.001 0.000 0.279 58 V C 0.806 176.966 176.094 0.110 0.000 1.048 58 V CA 0.197 62.523 62.300 0.045 0.000 0.967 58 V CB 1.650 33.486 31.823 0.021 0.000 0.988 58 V HN 0.035 8.225 8.190 0.000 0.000 0.473 59 K N 5.260 125.671 120.400 0.018 0.000 2.328 59 K HA 0.750 5.071 4.320 0.001 0.000 0.246 59 K C -0.899 175.559 176.600 -0.237 0.000 0.955 59 K CA -0.996 55.188 56.287 -0.171 0.000 0.817 59 K CB 2.207 34.550 32.500 -0.262 0.000 1.208 59 K HN 0.422 8.672 8.250 0.000 0.000 0.432 60 R N 1.643 121.846 120.500 -0.495 0.000 2.744 60 R HA 0.446 4.787 4.340 0.001 0.000 0.279 60 R C -1.221 174.793 176.300 -0.477 0.000 0.977 60 R CA -0.830 55.083 56.100 -0.311 0.000 0.906 60 R CB 1.379 31.560 30.300 -0.199 0.000 1.197 60 R HN 0.625 8.895 8.270 0.000 0.000 0.463 61 Y N -0.112 120.195 120.300 0.013 0.000 2.512 61 Y HA 0.241 4.792 4.550 0.001 0.000 0.348 61 Y C 0.645 176.410 175.900 -0.226 0.000 0.990 61 Y CA -0.971 57.004 58.100 -0.208 0.000 1.033 61 Y CB 1.718 40.108 38.460 -0.117 0.000 1.259 61 Y HN 0.435 8.715 8.280 0.000 0.000 0.461 62 N N 4.911 123.354 118.700 -0.427 0.000 2.414 62 N HA -0.005 4.736 4.740 0.001 0.000 0.268 62 N C -1.789 173.757 175.510 0.060 0.000 1.286 62 N CA -1.029 51.933 53.050 -0.147 0.000 0.896 62 N CB 1.047 39.399 38.487 -0.225 0.000 1.093 62 N HN 0.386 8.766 8.380 0.000 0.000 0.480 63 P HA -0.082 4.338 4.420 0.000 0.000 0.221 63 P C 0.673 178.012 177.300 0.065 0.000 1.150 63 P CA 0.846 64.014 63.100 0.114 0.000 0.800 63 P CB 0.148 31.930 31.700 0.138 0.000 0.787 64 A N -0.821 122.040 122.820 0.068 0.000 2.119 64 A HA 0.024 4.345 4.320 0.001 0.000 0.217 64 A C 2.082 179.675 177.584 0.015 0.000 1.153 64 A CA 0.902 52.965 52.037 0.044 0.000 0.692 64 A CB -1.084 17.949 19.000 0.055 0.000 0.799 64 A HN 0.198 8.348 8.150 0.000 0.000 0.458 65 L N -1.994 119.229 121.223 -0.000 0.000 2.817 65 L HA 0.162 4.503 4.340 0.001 0.000 0.248 65 L C 1.982 178.811 176.870 -0.069 0.000 1.133 65 L CA 0.155 54.977 54.840 -0.030 0.000 0.935 65 L CB 0.118 42.156 42.059 -0.036 0.000 1.266 65 L HN 0.336 8.566 8.230 0.000 0.000 0.535 66 K N 0.910 121.272 120.400 -0.063 0.000 2.059 66 K HA -0.260 4.061 4.320 0.001 0.000 0.212 66 K C 2.115 178.566 176.600 -0.248 0.000 1.050 66 K CA 2.163 58.362 56.287 -0.147 0.000 0.927 66 K CB -0.046 32.420 32.500 -0.056 0.000 0.714 66 K HN 0.386 8.636 8.250 0.000 0.000 0.447 67 S N -0.010 115.601 115.700 -0.148 0.000 2.469 67 S HA -0.085 4.386 4.470 0.001 0.000 0.238 67 S C 1.723 176.231 174.600 -0.152 0.000 0.998 67 S CA 0.698 58.813 58.200 -0.142 0.000 0.957 67 S CB -0.144 63.006 63.200 -0.083 0.000 0.764 67 S HN 0.348 8.658 8.310 0.000 0.000 0.514 68 R N -0.153 120.258 120.500 -0.149 0.000 2.254 68 R HA 0.399 4.740 4.340 0.001 0.000 0.193 68 R C 0.007 176.215 176.300 -0.155 0.000 0.929 68 R CA -0.002 56.022 56.100 -0.126 0.000 1.038 68 R CB 0.058 30.308 30.300 -0.083 0.000 1.009 68 R HN 0.386 8.656 8.270 0.000 0.000 0.512 69 L N 1.270 122.364 121.223 -0.215 0.000 2.375 69 L HA 0.298 4.639 4.340 0.001 0.000 0.271 69 L C -0.241 176.481 176.870 -0.247 0.000 1.107 69 L CA -0.012 54.722 54.840 -0.177 0.000 0.806 69 L CB 1.702 43.734 42.059 -0.045 0.000 1.146 69 L HN -0.114 8.116 8.230 0.000 0.000 0.447 70 T N 3.472 117.997 114.554 -0.048 0.000 2.965 70 T HA 0.450 4.801 4.350 0.001 0.000 0.306 70 T C -0.519 174.282 174.700 0.168 0.000 0.991 70 T CA -0.285 61.853 62.100 0.064 0.000 1.001 70 T CB 1.405 70.262 68.868 -0.017 0.000 0.984 70 T HN 0.353 8.593 8.240 0.000 0.000 0.446 71 I N 3.488 124.255 120.570 0.328 0.000 2.437 71 I HA 0.716 4.887 4.170 0.001 0.000 0.298 71 I C -0.089 176.135 176.117 0.179 0.000 0.984 71 I CA -0.019 61.389 61.300 0.180 0.000 1.214 71 I CB 1.020 39.069 38.000 0.081 0.000 1.365 71 I HN 0.826 9.036 8.210 0.000 0.000 0.469 72 S N 6.181 122.016 115.700 0.225 0.000 2.625 72 S HA 0.662 5.133 4.470 0.001 0.000 0.271 72 S C -1.249 173.558 174.600 0.345 0.000 1.161 72 S CA -0.980 57.365 58.200 0.241 0.000 0.820 72 S CB 2.104 65.426 63.200 0.205 0.000 1.137 72 S HN 0.729 9.039 8.310 0.000 0.000 0.470 73 K N -0.410 120.173 120.400 0.306 0.000 2.495 73 K HA 0.672 4.993 4.320 0.001 0.000 0.268 73 K C -1.629 175.164 176.600 0.321 0.000 1.008 73 K CA -0.831 55.639 56.287 0.305 0.000 0.882 73 K CB 1.189 33.809 32.500 0.199 0.000 1.443 73 K HN 0.639 8.889 8.250 0.000 0.000 0.447 74 D N 0.047 120.632 120.400 0.309 0.000 2.466 74 D HA 0.143 4.784 4.640 0.001 0.000 0.262 74 D C 0.537 176.917 176.300 0.134 0.000 1.177 74 D CA -0.436 53.700 54.000 0.227 0.000 1.035 74 D CB 0.656 41.598 40.800 0.238 0.000 1.105 74 D HN 0.532 8.902 8.370 0.000 0.000 0.551 75 T N -0.509 114.102 114.554 0.095 0.000 2.737 75 T HA -0.138 4.213 4.350 0.001 0.000 0.265 75 T C 1.845 176.588 174.700 0.072 0.000 1.038 75 T CA 2.091 64.236 62.100 0.076 0.000 1.144 75 T CB -0.574 68.327 68.868 0.055 0.000 0.866 75 T HN 0.610 8.850 8.240 0.000 0.000 0.434 76 S N 0.908 116.640 115.700 0.053 0.000 2.423 76 S HA 0.186 4.657 4.470 0.001 0.000 0.231 76 S C 1.802 176.432 174.600 0.050 0.000 1.014 76 S CA 0.640 58.863 58.200 0.038 0.000 0.965 76 S CB -0.799 62.404 63.200 0.006 0.000 0.785 76 S HN 0.886 9.196 8.310 0.000 0.000 0.495 77 G N 1.204 110.042 108.800 0.064 0.000 2.291 77 G HA2 -0.231 3.730 3.960 0.001 0.000 0.271 77 G HA3 -0.231 3.730 3.960 0.001 0.000 0.271 77 G C 0.449 175.390 174.900 0.068 0.000 1.099 77 G CA 0.537 45.706 45.100 0.116 0.000 0.919 77 G HN 1.310 9.600 8.290 0.000 0.000 0.496 78 S N -1.995 113.604 115.700 -0.168 0.000 2.559 78 S HA 0.480 4.950 4.470 0.001 0.000 0.226 78 S C 0.523 174.395 174.600 -1.213 0.000 1.000 78 S CA 0.429 58.259 58.200 -0.617 0.000 0.948 78 S CB 0.656 63.618 63.200 -0.397 0.000 0.870 78 S HN 0.637 8.947 8.310 0.000 0.000 0.497 79 Q N 0.339 119.741 119.800 -0.664 0.000 2.416 79 Q HA 0.664 5.005 4.340 0.001 0.000 0.281 79 Q C -1.933 173.852 176.000 -0.358 0.000 1.067 79 Q CA -0.805 54.606 55.803 -0.654 0.000 0.809 79 Q CB 2.829 31.222 28.738 -0.576 0.000 1.418 79 Q HN 0.187 8.457 8.270 0.000 0.000 0.411 80 V N 2.268 121.962 119.914 -0.367 0.000 2.709 80 V HA 0.598 4.719 4.120 0.001 0.000 0.308 80 V C -1.287 174.643 176.094 -0.273 0.000 1.062 80 V CA -0.610 61.598 62.300 -0.153 0.000 0.901 80 V CB 1.354 33.278 31.823 0.167 0.000 1.003 80 V HN 0.569 8.759 8.190 0.000 0.000 0.425 81 F N 4.508 124.644 119.950 0.310 0.000 2.561 81 F HA 0.844 5.372 4.527 0.002 0.000 0.321 81 F C -0.405 175.404 175.800 0.015 0.000 1.065 81 F CA -0.995 57.110 58.000 0.175 0.000 0.934 81 F CB 1.869 40.903 39.000 0.057 0.000 1.215 81 F HN 0.314 8.614 8.300 0.000 0.000 0.471 82 L N 2.311 123.453 121.223 -0.135 0.000 2.431 82 L HA 0.579 4.920 4.340 0.001 0.000 0.266 82 L C -1.449 175.240 176.870 -0.302 0.000 0.978 82 L CA -0.601 53.991 54.840 -0.414 0.000 0.822 82 L CB 2.062 43.390 42.059 -1.219 0.000 1.310 82 L HN 0.527 8.757 8.230 0.000 0.000 0.409 83 K N 6.291 126.574 120.400 -0.196 0.000 2.376 83 K HA 0.599 4.919 4.320 0.001 0.000 0.257 83 K C -1.369 175.134 176.600 -0.162 0.000 0.939 83 K CA -0.547 55.639 56.287 -0.168 0.000 0.809 83 K CB 2.136 34.570 32.500 -0.110 0.000 1.121 83 K HN 0.538 8.788 8.250 0.000 0.000 0.425 84 I N 2.378 122.846 120.570 -0.170 0.000 2.362 84 I HA 0.306 4.477 4.170 0.001 0.000 0.289 84 I C 0.230 176.286 176.117 -0.102 0.000 0.994 84 I CA -0.895 60.331 61.300 -0.123 0.000 1.158 84 I CB 1.699 39.639 38.000 -0.101 0.000 1.315 84 I HN 0.582 8.792 8.210 0.000 0.000 0.451 85 A N 3.949 126.717 122.820 -0.087 0.000 2.340 85 A HA 0.414 4.735 4.320 0.001 0.000 0.268 85 A C 0.769 178.320 177.584 -0.055 0.000 1.100 85 A CA -0.108 51.886 52.037 -0.073 0.000 0.803 85 A CB 0.628 19.584 19.000 -0.073 0.000 1.043 85 A HN 0.847 8.997 8.150 0.000 0.000 0.488 86 S N -0.459 115.212 115.700 -0.048 0.000 3.436 86 S HA -0.118 4.353 4.470 0.001 0.000 0.393 86 S C 0.096 174.681 174.600 -0.025 0.000 0.914 86 S CA 0.267 58.447 58.200 -0.034 0.000 1.317 86 S CB -2.111 61.070 63.200 -0.031 0.000 0.920 86 S HN 2.143 10.453 8.310 0.000 0.000 0.564 87 V N 1.113 121.012 119.914 -0.025 0.000 2.775 87 V HA 0.814 4.935 4.120 0.001 0.000 0.299 87 V C 0.344 176.440 176.094 0.004 0.000 1.062 87 V CA 0.100 62.394 62.300 -0.011 0.000 1.063 87 V CB 1.563 33.375 31.823 -0.019 0.000 0.994 87 V HN 0.706 8.896 8.190 0.000 0.000 0.483 88 D N 1.128 121.539 120.400 0.017 0.000 2.727 88 D HA 0.379 5.020 4.640 0.001 0.000 0.264 88 D C 1.020 177.344 176.300 0.041 0.000 1.101 88 D CA 0.094 54.109 54.000 0.025 0.000 1.122 88 D CB 0.862 41.675 40.800 0.021 0.000 1.390 88 D HN 0.622 8.992 8.370 0.000 0.000 0.606 89 T N -3.216 111.365 114.554 0.045 0.000 3.072 89 T HA -0.093 4.258 4.350 0.001 0.000 0.266 89 T C 1.535 176.273 174.700 0.063 0.000 1.127 89 T CA 1.145 63.281 62.100 0.060 0.000 1.107 89 T CB -0.686 68.219 68.868 0.060 0.000 0.910 89 T HN 0.422 8.662 8.240 0.000 0.000 0.513 90 S N 0.674 116.406 115.700 0.054 0.000 2.603 90 S HA 0.040 4.511 4.470 0.001 0.000 0.220 90 S C 1.110 175.749 174.600 0.066 0.000 0.967 90 S CA -0.035 58.197 58.200 0.053 0.000 0.920 90 S CB -0.242 62.983 63.200 0.042 0.000 0.773 90 S HN 0.450 8.760 8.310 0.000 0.000 0.529 91 D N 1.519 121.970 120.400 0.085 0.000 2.360 91 D HA 0.067 4.708 4.640 0.001 0.000 0.210 91 D C -0.098 176.324 176.300 0.203 0.000 1.047 91 D CA 0.314 54.401 54.000 0.145 0.000 0.854 91 D CB 0.062 40.937 40.800 0.125 0.000 0.936 91 D HN 0.328 8.698 8.370 0.000 0.000 0.514 92 T N 1.824 116.459 114.554 0.135 0.000 2.792 92 T HA 0.360 4.711 4.350 0.001 0.000 0.286 92 T C 0.243 175.018 174.700 0.124 0.000 0.970 92 T CA 0.176 62.356 62.100 0.134 0.000 1.187 92 T CB 0.544 69.472 68.868 0.101 0.000 0.915 92 T HN 0.167 8.407 8.240 0.000 0.000 0.529 93 A N 3.390 126.309 122.820 0.165 0.000 2.490 93 A HA 0.614 4.935 4.320 0.001 0.000 0.292 93 A C -0.327 177.304 177.584 0.078 0.000 1.047 93 A CA -1.045 51.017 52.037 0.041 0.000 0.632 93 A CB 0.785 19.679 19.000 -0.177 0.000 1.323 93 A HN 0.520 8.670 8.150 0.000 0.000 0.448 94 T N 1.539 116.061 114.554 -0.052 0.000 2.771 94 T HA 0.549 4.900 4.350 0.001 0.000 0.291 94 T C -1.188 173.342 174.700 -0.284 0.000 0.954 94 T CA 0.635 62.661 62.100 -0.124 0.000 1.045 94 T CB -0.186 68.550 68.868 -0.219 0.000 0.917 94 T HN 0.320 8.560 8.240 0.000 0.000 0.484 95 Y N 2.452 122.616 120.300 -0.228 0.000 2.328 95 Y HA 0.469 5.021 4.550 0.003 0.000 0.337 95 Y C -0.253 175.567 175.900 -0.133 0.000 1.008 95 Y CA -1.088 56.979 58.100 -0.056 0.000 1.129 95 Y CB 0.759 39.275 38.460 0.094 0.000 1.185 95 Y HN 0.579 8.859 8.280 0.000 0.000 0.476 96 Y N 1.787 122.275 120.300 0.312 0.000 2.446 96 Y HA 0.575 5.126 4.550 0.001 0.000 0.338 96 Y C 0.188 176.018 175.900 -0.115 0.000 1.055 96 Y CA -1.257 56.938 58.100 0.159 0.000 1.101 96 Y CB 1.355 39.958 38.460 0.239 0.000 1.221 96 Y HN 0.699 8.979 8.280 0.000 0.000 0.460 97 c N 0.635 119.060 118.600 -0.292 0.000 2.454 97 c HA 1.032 5.603 4.570 0.001 0.000 0.336 97 c C -0.234 173.534 174.090 -0.538 0.000 1.189 97 c CA -0.804 55.054 56.329 -0.785 0.000 1.877 97 c CB 0.524 42.234 42.510 -1.333 0.000 2.348 97 c HN 1.057 9.287 8.230 0.000 0.000 0.508 98 A N 2.229 124.636 122.820 -0.689 0.000 2.547 98 A HA 0.796 5.117 4.320 0.001 0.000 0.297 98 A C -0.763 176.573 177.584 -0.412 0.000 1.056 98 A CA -0.606 51.023 52.037 -0.680 0.000 0.688 98 A CB 1.124 19.250 19.000 -1.457 0.000 1.282 98 A HN 1.090 9.240 8.150 0.000 0.000 0.400 99 R N 1.560 121.885 120.500 -0.291 0.000 2.410 99 R HA 0.566 4.907 4.340 0.001 0.000 0.288 99 R C -0.769 175.392 176.300 -0.231 0.000 1.051 99 R CA -0.429 55.475 56.100 -0.326 0.000 1.021 99 R CB 0.492 30.449 30.300 -0.571 0.000 1.032 99 R HN 0.722 8.992 8.270 0.000 0.000 0.481 100 M N 2.755 122.155 119.600 -0.334 0.000 2.146 100 M HA 0.195 4.676 4.480 0.001 0.000 0.357 100 M C 1.152 177.155 176.300 -0.495 0.000 1.261 100 M CA 0.335 55.338 55.300 -0.496 0.000 1.106 100 M CB 1.887 34.124 32.600 -0.605 0.000 1.612 100 M HN 0.827 9.117 8.290 0.000 0.000 0.470 101 G N 1.257 109.635 108.800 -0.703 0.000 3.061 101 G HA2 0.162 4.123 3.960 0.001 0.000 0.208 101 G HA3 0.162 4.123 3.960 0.001 0.000 0.208 101 G C 0.281 174.832 174.900 -0.583 0.000 1.175 101 G CA 0.115 44.934 45.100 -0.468 0.000 0.812 101 G HN 0.610 8.900 8.290 0.000 0.000 0.523 102 S N -1.255 114.013 115.700 -0.719 0.000 2.588 102 S HA 0.309 4.780 4.470 0.001 0.000 0.269 102 S C 0.150 174.570 174.600 -0.300 0.000 1.157 102 S CA -0.433 57.446 58.200 -0.534 0.000 0.824 102 S CB 1.165 63.820 63.200 -0.907 0.000 1.126 102 S HN 0.173 8.483 8.310 0.000 0.000 0.464 103 D N 0.583 120.821 120.400 -0.270 0.000 2.277 103 D HA -0.012 4.629 4.640 0.001 0.000 0.208 103 D C 0.594 176.299 176.300 -0.992 0.000 0.962 103 D CA 1.246 54.955 54.000 -0.486 0.000 0.865 103 D CB 0.135 40.707 40.800 -0.381 0.000 0.939 103 D HN 0.592 8.962 8.370 0.000 0.000 0.510 104 Y N 0.418 120.455 120.300 -0.438 0.000 2.438 104 Y HA 0.150 4.701 4.550 0.001 0.000 0.274 104 Y C -0.185 175.577 175.900 -0.230 0.000 1.085 104 Y CA -0.705 57.118 58.100 -0.461 0.000 1.199 104 Y CB 0.666 38.960 38.460 -0.278 0.000 1.317 104 Y HN -0.226 8.054 8.280 0.000 0.000 0.545 105 D N 0.513 120.849 120.400 -0.107 0.000 2.256 105 D HA 0.297 4.938 4.640 0.001 0.000 0.250 105 D C -0.371 175.764 176.300 -0.275 0.000 1.093 105 D CA -0.092 53.846 54.000 -0.104 0.000 0.882 105 D CB 2.037 42.860 40.800 0.039 0.000 1.185 105 D HN -0.189 8.181 8.370 0.000 0.000 0.437 106 V N 2.963 122.745 119.914 -0.221 0.000 2.125 106 V HA 0.295 4.416 4.120 0.001 0.000 0.263 106 V C -0.982 174.719 176.094 -0.655 0.000 1.365 106 V CA -0.656 61.337 62.300 -0.511 0.000 1.276 106 V CB -1.472 30.075 31.823 -0.459 0.000 1.350 106 V HN 0.572 8.762 8.190 0.000 0.000 0.487 107 W N 2.697 123.535 121.300 -0.769 0.000 2.936 107 W HA 0.806 5.467 4.660 0.002 0.000 0.338 107 W C -1.681 174.388 176.519 -0.751 0.000 1.121 107 W CA -2.590 54.331 57.345 -0.706 0.000 1.209 107 W CB 0.959 30.248 29.460 -0.285 0.000 1.420 107 W HN 0.099 8.279 8.180 0.000 0.000 0.516 108 F N 4.158 124.232 119.950 0.207 0.000 2.325 108 F HA 0.198 4.725 4.527 0.000 0.000 0.369 108 F C 1.214 177.077 175.800 0.105 0.000 1.095 108 F CA -0.814 57.135 58.000 -0.086 0.000 1.082 108 F CB 0.945 39.640 39.000 -0.509 0.000 1.289 108 F HN 0.499 8.799 8.300 0.000 0.000 0.462 109 D N 0.937 121.434 120.400 0.162 0.000 2.224 109 D HA -0.122 4.519 4.640 0.001 0.000 0.205 109 D C -0.247 175.885 176.300 -0.281 0.000 0.965 109 D CA 1.210 55.224 54.000 0.024 0.000 0.852 109 D CB -0.188 40.621 40.800 0.014 0.000 0.947 109 D HN 0.360 8.730 8.370 0.000 0.000 0.494 110 Y N -1.808 118.544 120.300 0.087 0.000 2.492 110 Y HA 0.461 5.013 4.550 0.002 0.000 0.346 110 Y C -0.976 174.969 175.900 0.075 0.000 0.997 110 Y CA -1.313 56.861 58.100 0.123 0.000 1.025 110 Y CB 1.603 40.058 38.460 -0.009 0.000 1.263 110 Y HN -0.237 8.043 8.280 0.000 0.000 0.454 111 W N 0.779 122.161 121.300 0.137 0.000 2.761 111 W HA 0.697 5.360 4.660 0.006 0.000 0.340 111 W C 0.231 176.806 176.519 0.092 0.000 1.072 111 W CA -1.243 56.133 57.345 0.051 0.000 1.215 111 W CB 1.536 30.980 29.460 -0.027 0.000 1.420 111 W HN 0.674 8.854 8.180 0.000 0.000 0.519 112 G N 0.390 109.369 108.800 0.298 0.000 2.562 112 G HA2 0.320 4.281 3.960 0.001 0.000 0.275 112 G HA3 0.320 4.281 3.960 0.001 0.000 0.275 112 G C 0.393 175.508 174.900 0.358 0.000 1.196 112 G CA -0.551 44.701 45.100 0.254 0.000 0.908 112 G HN 0.642 8.932 8.290 0.000 0.000 0.524 113 Q N -0.468 119.488 119.800 0.259 0.000 2.482 113 Q HA 0.367 4.708 4.340 0.001 0.000 0.209 113 Q C 0.984 177.155 176.000 0.286 0.000 0.961 113 Q CA 0.298 56.263 55.803 0.270 0.000 0.945 113 Q CB -0.031 28.801 28.738 0.158 0.000 1.012 113 Q HN 1.379 9.649 8.270 0.000 0.000 0.515 114 G N -0.094 108.826 108.800 0.201 0.000 2.705 114 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 114 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 114 G C -0.835 174.020 174.900 -0.076 0.000 1.285 114 G CA -0.240 44.761 45.100 -0.165 0.000 0.800 114 G HN 0.248 8.538 8.290 0.000 0.000 0.611 115 T N 0.595 115.114 114.554 -0.058 0.000 2.841 115 T HA 0.595 4.946 4.350 0.001 0.000 0.283 115 T C -0.160 174.542 174.700 0.003 0.000 1.000 115 T CA -0.495 61.602 62.100 -0.005 0.000 0.977 115 T CB 1.219 70.109 68.868 0.037 0.000 0.979 115 T HN 1.251 9.491 8.240 0.000 0.000 0.446 116 L N 6.011 127.227 121.223 -0.011 0.000 2.305 116 L HA 0.664 5.005 4.340 0.001 0.000 0.281 116 L C -0.887 175.988 176.870 0.008 0.000 1.085 116 L CA 0.004 54.849 54.840 0.009 0.000 0.813 116 L CB 1.041 43.084 42.059 -0.026 0.000 1.157 116 L HN 0.452 8.682 8.230 0.000 0.000 0.436 117 V N 3.882 123.833 119.914 0.063 0.000 2.448 117 V HA 0.533 4.654 4.120 0.001 0.000 0.295 117 V C -0.138 175.979 176.094 0.038 0.000 1.025 117 V CA -0.548 61.753 62.300 0.003 0.000 0.859 117 V CB 1.802 33.560 31.823 -0.109 0.000 0.988 117 V HN 0.816 9.006 8.190 0.000 0.000 0.431 118 T N 4.057 118.610 114.554 -0.001 0.000 2.809 118 T HA 0.443 4.794 4.350 0.001 0.000 0.284 118 T C -0.325 174.404 174.700 0.049 0.000 0.992 118 T CA -0.348 61.767 62.100 0.025 0.000 0.957 118 T CB 1.519 70.365 68.868 -0.035 0.000 0.942 118 T HN 0.333 8.573 8.240 0.000 0.000 0.439 119 V N 3.790 123.748 119.914 0.072 0.000 2.368 119 V HA 0.642 4.763 4.120 0.001 0.000 0.266 119 V C 0.278 176.438 176.094 0.110 0.000 1.045 119 V CA -0.147 62.195 62.300 0.070 0.000 0.899 119 V CB 0.907 32.763 31.823 0.055 0.000 1.006 119 V HN 0.919 9.109 8.190 0.000 0.000 0.470 120 S N 3.757 119.533 115.700 0.126 0.000 2.537 120 S HA 0.684 5.155 4.470 0.001 0.000 0.270 120 S C 0.454 175.122 174.600 0.113 0.000 1.142 120 S CA 0.155 58.455 58.200 0.166 0.000 0.870 120 S CB 2.108 65.518 63.200 0.350 0.000 1.112 120 S HN 0.865 9.175 8.310 0.000 0.000 0.466 121 A N 2.372 125.235 122.820 0.071 0.000 2.238 121 A HA 0.695 5.016 4.320 0.001 0.000 0.210 121 A C 1.091 178.690 177.584 0.025 0.000 1.179 121 A CA 0.612 52.672 52.037 0.039 0.000 0.827 121 A CB -0.664 18.345 19.000 0.015 0.000 0.856 121 A HN 1.269 9.419 8.150 0.000 0.000 0.488 122 A N 0.482 123.315 122.820 0.021 0.000 2.313 122 A HA 0.568 4.889 4.320 0.001 0.000 0.261 122 A C 0.767 178.378 177.584 0.045 0.000 1.090 122 A CA 0.317 52.316 52.037 -0.065 0.000 0.807 122 A CB 0.103 18.895 19.000 -0.347 0.000 1.055 122 A HN 0.926 9.076 8.150 0.000 0.000 0.492 123 S N -0.046 115.666 115.700 0.020 0.000 2.651 123 S HA 0.579 5.050 4.470 0.001 0.000 0.291 123 S C 0.031 174.747 174.600 0.194 0.000 1.141 123 S CA -0.419 57.839 58.200 0.097 0.000 1.027 123 S CB 0.943 64.175 63.200 0.054 0.000 1.043 123 S HN 0.686 8.996 8.310 0.000 0.000 0.530 124 T N 2.660 117.346 114.554 0.220 0.000 2.870 124 T HA 0.272 4.623 4.350 0.001 0.000 0.300 124 T C -0.133 174.718 174.700 0.251 0.000 0.989 124 T CA -0.029 62.244 62.100 0.288 0.000 1.139 124 T CB 0.100 69.080 68.868 0.187 0.000 0.920 124 T HN 0.526 8.766 8.240 0.000 0.000 0.537 125 K N 1.789 122.384 120.400 0.324 0.000 2.397 125 K HA 0.520 4.841 4.320 0.001 0.000 0.253 125 K C 0.074 176.824 176.600 0.251 0.000 0.932 125 K CA -0.643 55.783 56.287 0.232 0.000 0.795 125 K CB 1.801 34.403 32.500 0.170 0.000 1.159 125 K HN 0.777 9.027 8.250 0.000 0.000 0.424 126 G N 4.063 112.974 108.800 0.185 0.000 2.444 126 G HA2 0.329 4.290 3.960 0.001 0.000 0.268 126 G HA3 0.329 4.290 3.960 0.001 0.000 0.268 126 G C -2.396 172.538 174.900 0.057 0.000 1.203 126 G CA -0.959 44.235 45.100 0.155 0.000 0.835 126 G HN 0.355 8.645 8.290 0.000 0.000 0.543 127 P HA 0.214 4.634 4.420 0.000 0.000 0.274 127 P C -0.392 176.845 177.300 -0.104 0.000 1.246 127 P CA -0.331 62.745 63.100 -0.038 0.000 0.795 127 P CB 1.232 32.836 31.700 -0.160 0.000 1.006 128 S N 0.021 115.608 115.700 -0.189 0.000 2.475 128 S HA 0.395 4.866 4.470 0.001 0.000 0.298 128 S C -0.111 174.103 174.600 -0.643 0.000 1.119 128 S CA -0.702 57.242 58.200 -0.427 0.000 1.085 128 S CB 1.009 63.872 63.200 -0.561 0.000 1.028 128 S HN 0.200 8.510 8.310 0.000 0.000 0.489 129 V N 3.820 123.395 119.914 -0.564 0.000 2.350 129 V HA 0.464 4.585 4.120 0.001 0.000 0.276 129 V C -0.871 174.973 176.094 -0.418 0.000 1.028 129 V CA -0.457 61.596 62.300 -0.411 0.000 0.860 129 V CB -0.122 31.574 31.823 -0.211 0.000 0.990 129 V HN 0.787 8.977 8.190 0.000 0.000 0.453 130 F N 6.025 125.997 119.950 0.038 0.000 2.482 130 F HA 0.532 5.060 4.527 0.001 0.000 0.331 130 F C -2.007 173.831 175.800 0.063 0.000 1.115 130 F CA -2.777 55.251 58.000 0.046 0.000 0.955 130 F CB 2.264 41.292 39.000 0.047 0.000 1.136 130 F HN 0.312 8.612 8.300 0.000 0.000 0.452 131 P HA 0.069 4.489 4.420 0.000 0.000 0.268 131 P C -0.854 176.556 177.300 0.184 0.000 1.204 131 P CA 0.074 63.291 63.100 0.195 0.000 0.768 131 P CB 1.023 32.819 31.700 0.160 0.000 0.842 132 L N 2.547 123.879 121.223 0.182 0.000 2.283 132 L HA 0.454 4.795 4.340 0.001 0.000 0.281 132 L C 0.794 177.731 176.870 0.111 0.000 1.033 132 L CA -0.801 54.123 54.840 0.139 0.000 0.848 132 L CB 0.890 43.038 42.059 0.149 0.000 1.226 132 L HN 0.357 8.587 8.230 0.000 0.000 0.429 133 A N 5.893 128.764 122.820 0.084 0.000 2.366 133 A HA 0.612 4.933 4.320 0.001 0.000 0.272 133 A C -2.128 175.482 177.584 0.043 0.000 1.135 133 A CA -1.185 50.894 52.037 0.069 0.000 0.804 133 A CB -0.184 18.854 19.000 0.062 0.000 1.064 133 A HN 0.429 8.579 8.150 0.000 0.000 0.499 134 P HA 0.071 4.491 4.420 0.000 0.000 0.267 134 P C 0.658 177.968 177.300 0.015 0.000 1.205 134 P CA 0.202 63.307 63.100 0.008 0.000 0.765 134 P CB 1.176 32.875 31.700 -0.002 0.000 0.828 135 S N 1.773 117.478 115.700 0.008 0.000 2.427 135 S HA 0.124 4.595 4.470 0.001 0.000 0.224 135 S C 0.856 175.461 174.600 0.009 0.000 1.047 135 S CA 0.666 58.872 58.200 0.010 0.000 0.953 135 S CB -0.343 62.862 63.200 0.008 0.000 0.824 135 S HN 0.728 9.038 8.310 0.000 0.000 0.502 143 T N 1.774 116.320 114.554 -0.013 0.000 2.771 143 T HA 0.725 5.076 4.350 0.001 0.000 0.281 143 T C -0.179 174.502 174.700 -0.033 0.000 0.982 143 T CA 0.466 62.550 62.100 -0.026 0.000 0.978 143 T CB 1.625 70.476 68.868 -0.028 0.000 0.930 143 T HN 0.759 8.999 8.240 0.000 0.000 0.447 144 A N 2.460 125.249 122.820 -0.052 0.000 2.340 144 A HA 0.888 5.209 4.320 0.001 0.000 0.331 144 A C -0.103 177.421 177.584 -0.099 0.000 1.140 144 A CA -0.858 51.143 52.037 -0.060 0.000 0.801 144 A CB 0.944 19.914 19.000 -0.051 0.000 1.234 144 A HN 0.975 9.125 8.150 0.000 0.000 0.469 145 A N 1.246 124.020 122.820 -0.077 0.000 2.305 145 A HA 0.751 5.072 4.320 0.001 0.000 0.322 145 A C -0.335 177.190 177.584 -0.099 0.000 1.187 145 A CA -0.334 51.648 52.037 -0.092 0.000 0.825 145 A CB 0.189 19.171 19.000 -0.030 0.000 1.164 145 A HN 1.912 10.062 8.150 0.000 0.000 0.498 146 L N -0.170 120.957 121.223 -0.160 0.000 2.389 146 L HA 1.101 5.442 4.340 0.001 0.000 0.249 146 L C 0.093 176.920 176.870 -0.071 0.000 1.083 146 L CA -0.019 54.756 54.840 -0.109 0.000 0.876 146 L CB 1.388 43.349 42.059 -0.164 0.000 1.489 146 L HN 1.465 9.695 8.230 0.000 0.000 0.412 147 G N -1.593 107.283 108.800 0.127 0.000 2.336 147 G HA2 0.456 4.417 3.960 0.001 0.000 0.286 147 G HA3 0.456 4.417 3.960 0.001 0.000 0.286 147 G C -2.045 173.137 174.900 0.471 0.000 1.269 147 G CA -0.122 45.221 45.100 0.405 0.000 0.873 147 G HN 0.829 9.119 8.290 0.000 0.000 0.494 148 c N -0.441 118.417 118.600 0.430 0.000 2.547 148 c HA 0.745 5.316 4.570 0.001 0.000 0.313 148 c C -0.433 173.775 174.090 0.196 0.000 1.191 148 c CA -0.523 55.943 56.329 0.228 0.000 1.474 148 c CB 0.661 43.195 42.510 0.039 0.000 2.081 148 c HN 0.845 9.075 8.230 0.000 0.000 0.476 149 L N 4.649 125.982 121.223 0.182 0.000 2.287 149 L HA 0.750 5.091 4.340 0.001 0.000 0.287 149 L C -0.702 176.234 176.870 0.110 0.000 1.022 149 L CA 0.168 55.122 54.840 0.189 0.000 0.814 149 L CB 1.218 43.431 42.059 0.257 0.000 1.217 149 L HN 0.506 8.736 8.230 0.000 0.000 0.420 150 V N 5.647 125.622 119.914 0.102 0.000 2.293 150 V HA 0.473 4.594 4.120 0.001 0.000 0.275 150 V C 0.007 176.205 176.094 0.174 0.000 1.021 150 V CA -0.641 61.679 62.300 0.035 0.000 0.815 150 V CB 0.795 32.608 31.823 -0.016 0.000 1.025 150 V HN 0.726 8.916 8.190 0.000 0.000 0.448 151 K N 2.630 123.094 120.400 0.107 0.000 2.259 151 K HA 0.458 4.779 4.320 0.001 0.000 0.252 151 K C -0.736 175.966 176.600 0.170 0.000 0.936 151 K CA -0.582 55.813 56.287 0.180 0.000 0.810 151 K CB 1.226 33.876 32.500 0.250 0.000 1.143 151 K HN 0.653 8.903 8.250 0.000 0.000 0.427 152 D N 1.987 122.463 120.400 0.127 0.000 2.718 152 D HA -0.211 4.429 4.640 0.001 0.000 0.242 152 D C -1.124 175.243 176.300 0.113 0.000 1.123 152 D CA 1.138 55.181 54.000 0.072 0.000 0.690 152 D CB -1.507 39.344 40.800 0.085 0.000 1.059 152 D HN 0.468 8.838 8.370 0.000 0.000 0.429 153 Y N -1.554 118.767 120.300 0.035 0.000 2.549 153 Y HA 0.794 5.345 4.550 0.001 0.000 0.339 153 Y C -0.857 175.171 175.900 0.214 0.000 1.053 153 Y CA -1.751 56.331 58.100 -0.029 0.000 1.105 153 Y CB 1.489 39.719 38.460 -0.384 0.000 1.258 153 Y HN -0.041 8.239 8.280 0.000 0.000 0.478 154 F N 3.880 123.950 119.950 0.200 0.000 2.615 154 F HA 0.658 5.186 4.527 0.001 0.000 0.312 154 F C -2.965 173.079 175.800 0.405 0.000 1.119 154 F CA -2.163 56.008 58.000 0.286 0.000 0.979 154 F CB 2.439 41.529 39.000 0.150 0.000 1.266 154 F HN 0.452 8.752 8.300 0.000 0.000 0.444 155 P HA 0.236 4.656 4.420 0.000 0.000 0.310 155 P C -0.971 176.307 177.300 -0.037 0.000 1.309 155 P CA -0.312 62.350 63.100 -0.731 0.000 0.769 155 P CB 1.051 32.240 31.700 -0.850 0.000 1.327 156 E N 0.222 120.243 120.200 -0.298 0.000 2.422 156 E HA 0.126 4.477 4.350 0.001 0.000 0.260 156 E C -1.780 174.787 176.600 -0.054 0.000 1.108 156 E CA -0.733 55.558 56.400 -0.182 0.000 0.943 156 E CB -0.411 29.030 29.700 -0.431 0.000 0.961 156 E HN 0.428 8.788 8.360 0.000 0.000 0.443 157 P HA 0.299 4.719 4.420 0.000 0.000 0.292 157 P C -0.981 176.337 177.300 0.031 0.000 1.304 157 P CA -0.609 62.498 63.100 0.011 0.000 0.848 157 P CB 1.262 32.946 31.700 -0.027 0.000 1.260 158 V N 0.127 119.978 119.914 -0.105 0.000 2.604 158 V HA 0.526 4.647 4.120 0.001 0.000 0.305 158 V C -0.281 175.738 176.094 -0.125 0.000 1.043 158 V CA -0.362 61.800 62.300 -0.232 0.000 0.888 158 V CB 1.865 33.291 31.823 -0.662 0.000 0.995 158 V HN 0.867 9.057 8.190 0.000 0.000 0.429 159 T N 3.351 117.840 114.554 -0.108 0.000 2.824 159 T HA 0.790 5.141 4.350 0.001 0.000 0.280 159 T C -0.867 173.768 174.700 -0.110 0.000 0.995 159 T CA -0.654 61.398 62.100 -0.080 0.000 1.009 159 T CB 1.537 70.371 68.868 -0.058 0.000 0.955 159 T HN 0.466 8.706 8.240 0.000 0.000 0.452 160 V N 3.299 123.154 119.914 -0.098 0.000 2.483 160 V HA 0.706 4.827 4.120 0.001 0.000 0.297 160 V C 0.151 176.153 176.094 -0.153 0.000 1.027 160 V CA -0.784 61.417 62.300 -0.166 0.000 0.855 160 V CB 1.507 33.237 31.823 -0.155 0.000 0.995 160 V HN 1.251 9.441 8.190 0.000 0.000 0.424 161 S N 3.020 118.585 115.700 -0.225 0.000 2.638 161 S HA 0.806 5.277 4.470 0.001 0.000 0.302 161 S C -1.534 172.885 174.600 -0.302 0.000 1.096 161 S CA -0.769 57.347 58.200 -0.138 0.000 0.953 161 S CB 1.774 64.941 63.200 -0.054 0.000 1.107 161 S HN 0.528 8.838 8.310 0.000 0.000 0.503 162 W N 1.045 122.355 121.300 0.018 0.000 2.532 162 W HA 0.507 5.167 4.660 0.000 0.000 0.321 162 W C -0.160 176.387 176.519 0.047 0.000 1.037 162 W CA -0.316 57.054 57.345 0.042 0.000 1.220 162 W CB 0.856 30.344 29.460 0.048 0.000 1.361 162 W HN 0.809 8.989 8.180 0.000 0.000 0.468 163 N N 2.300 121.160 118.700 0.266 0.000 2.705 163 N HA -0.238 4.503 4.740 0.001 0.000 0.255 163 N C 0.099 175.661 175.510 0.086 0.000 1.008 163 N CA 1.649 54.792 53.050 0.155 0.000 0.742 163 N CB -1.655 36.931 38.487 0.166 0.000 0.906 163 N HN 0.555 8.935 8.380 0.000 0.000 0.541 164 S N -2.362 113.364 115.700 0.043 0.000 3.581 164 S HA -0.152 4.318 4.470 0.001 0.000 0.354 164 S C 1.394 176.015 174.600 0.036 0.000 1.059 164 S CA 1.900 60.111 58.200 0.020 0.000 1.060 164 S CB -1.565 61.642 63.200 0.012 0.000 0.908 164 S HN 1.605 9.915 8.310 0.000 0.000 0.475 165 G N -0.487 108.350 108.800 0.062 0.000 2.176 165 G HA2 -0.158 3.803 3.960 0.001 0.000 0.253 165 G HA3 -0.158 3.803 3.960 0.001 0.000 0.253 165 G C 0.763 175.708 174.900 0.074 0.000 0.979 165 G CA 0.777 45.917 45.100 0.067 0.000 0.641 165 G HN 1.740 10.030 8.290 0.000 0.000 0.530 166 A N -0.967 121.902 122.820 0.081 0.000 2.167 166 A HA 0.614 4.935 4.320 0.001 0.000 0.214 166 A C 1.010 178.645 177.584 0.086 0.000 1.151 166 A CA 1.549 53.627 52.037 0.069 0.000 0.735 166 A CB 0.127 19.160 19.000 0.055 0.000 0.802 166 A HN 1.360 9.510 8.150 0.000 0.000 0.467 167 L N 0.429 121.731 121.223 0.131 0.000 2.345 167 L HA 0.500 4.841 4.340 0.001 0.000 0.274 167 L C 0.690 177.629 176.870 0.115 0.000 0.999 167 L CA 0.653 55.570 54.840 0.129 0.000 0.849 167 L CB 1.538 43.712 42.059 0.192 0.000 1.220 167 L HN 0.217 8.447 8.230 0.000 0.000 0.422 168 T N -1.287 113.295 114.554 0.048 0.000 2.989 168 T HA 0.226 4.577 4.350 0.001 0.000 0.250 168 T C 0.785 175.459 174.700 -0.043 0.000 0.981 168 T CA 0.077 62.191 62.100 0.023 0.000 0.980 168 T CB -0.054 68.830 68.868 0.028 0.000 1.133 168 T HN 0.415 8.655 8.240 0.000 0.000 0.489 169 S N 1.192 116.861 115.700 -0.052 0.000 2.533 169 S HA 0.473 4.944 4.470 0.001 0.000 0.282 169 S C 1.489 175.996 174.600 -0.155 0.000 1.304 169 S CA 0.564 58.713 58.200 -0.086 0.000 1.063 169 S CB 0.261 63.428 63.200 -0.056 0.000 0.881 169 S HN 1.066 9.376 8.310 0.000 0.000 0.493 170 G N 2.087 110.763 108.800 -0.206 0.000 2.159 170 G HA2 -0.233 3.728 3.960 0.001 0.000 0.256 170 G HA3 -0.233 3.728 3.960 0.001 0.000 0.256 170 G C 0.109 174.721 174.900 -0.481 0.000 0.977 170 G CA 0.071 44.991 45.100 -0.300 0.000 0.652 170 G HN 0.701 8.991 8.290 0.000 0.000 0.531 171 V N 2.565 122.218 119.914 -0.435 0.000 2.530 171 V HA 0.504 4.625 4.120 0.001 0.000 0.282 171 V C 0.191 175.955 176.094 -0.549 0.000 1.048 171 V CA -0.482 61.584 62.300 -0.389 0.000 0.997 171 V CB 1.275 33.018 31.823 -0.134 0.000 0.987 171 V HN 0.362 8.552 8.190 0.000 0.000 0.477 172 H N 2.246 121.234 119.070 -0.137 0.000 2.727 172 H HA 0.380 4.938 4.556 0.003 0.000 0.330 172 H C -0.441 174.719 175.328 -0.280 0.000 0.986 172 H CA -0.499 55.360 56.048 -0.316 0.000 1.251 172 H CB 1.806 31.225 29.762 -0.571 0.000 1.493 172 H HN 0.532 8.812 8.280 0.000 0.000 0.515 173 T N 4.928 119.427 114.554 -0.092 0.000 2.743 173 T HA 0.290 4.641 4.350 0.001 0.000 0.292 173 T C 0.380 175.043 174.700 -0.061 0.000 0.972 173 T CA -0.477 61.636 62.100 0.020 0.000 0.967 173 T CB 0.054 68.972 68.868 0.084 0.000 0.926 173 T HN 0.185 8.425 8.240 0.000 0.000 0.459 174 F N 3.516 123.545 119.950 0.130 0.000 2.382 174 F HA 0.369 4.895 4.527 -0.002 0.000 0.331 174 F C -1.594 174.261 175.800 0.091 0.000 1.121 174 F CA -2.330 55.731 58.000 0.101 0.000 1.183 174 F CB 0.070 39.126 39.000 0.093 0.000 1.207 174 F HN 0.340 8.640 8.300 0.000 0.000 0.555 175 P HA 0.073 4.493 4.420 0.000 0.000 0.264 175 P C -0.860 176.560 177.300 0.201 0.000 1.183 175 P CA -0.134 63.075 63.100 0.181 0.000 0.763 175 P CB 0.328 32.118 31.700 0.151 0.000 0.807 176 A N 3.209 126.133 122.820 0.173 0.000 2.483 176 A HA 0.286 4.607 4.320 0.001 0.000 0.238 176 A C -0.051 177.662 177.584 0.214 0.000 1.070 176 A CA -0.015 52.145 52.037 0.205 0.000 0.770 176 A CB 0.120 19.223 19.000 0.172 0.000 1.008 176 A HN 0.404 8.554 8.150 0.000 0.000 0.497 177 V N 2.853 122.896 119.914 0.215 0.000 2.495 177 V HA 0.297 4.418 4.120 0.001 0.000 0.298 177 V C -0.396 175.783 176.094 0.142 0.000 1.031 177 V CA -0.572 61.827 62.300 0.166 0.000 0.871 177 V CB 1.547 33.424 31.823 0.090 0.000 0.988 177 V HN 0.807 8.997 8.190 0.000 0.000 0.432 178 L N 6.196 127.457 121.223 0.063 0.000 2.342 178 L HA 0.374 4.715 4.340 0.001 0.000 0.285 178 L C 0.359 177.137 176.870 -0.153 0.000 1.095 178 L CA 0.550 55.257 54.840 -0.221 0.000 0.843 178 L CB 0.511 42.433 42.059 -0.229 0.000 1.201 178 L HN 0.692 8.922 8.230 0.000 0.000 0.445 179 Q N 2.053 121.751 119.800 -0.170 0.000 2.368 179 Q HA 0.137 4.478 4.340 0.001 0.000 0.237 179 Q C 1.407 177.340 176.000 -0.112 0.000 0.987 179 Q CA 0.443 56.184 55.803 -0.102 0.000 0.896 179 Q CB 0.831 29.522 28.738 -0.079 0.000 1.241 179 Q HN 0.831 9.101 8.270 0.000 0.000 0.485 180 S N -0.170 115.485 115.700 -0.075 0.000 2.440 180 S HA -0.216 4.255 4.470 0.001 0.000 0.240 180 S C 1.748 176.299 174.600 -0.082 0.000 1.014 180 S CA 1.474 59.633 58.200 -0.069 0.000 0.980 180 S CB -0.396 62.776 63.200 -0.047 0.000 0.775 180 S HN 0.697 9.007 8.310 0.000 0.000 0.499 181 S N 0.620 116.267 115.700 -0.089 0.000 2.481 181 S HA 0.332 4.803 4.470 0.001 0.000 0.231 181 S C 1.737 176.252 174.600 -0.141 0.000 0.996 181 S CA 0.728 58.870 58.200 -0.095 0.000 0.942 181 S CB -0.920 62.235 63.200 -0.075 0.000 0.768 181 S HN 1.630 9.940 8.310 0.000 0.000 0.520 182 G N 0.399 109.091 108.800 -0.180 0.000 2.157 182 G HA2 -0.197 3.764 3.960 0.001 0.000 0.248 182 G HA3 -0.197 3.764 3.960 0.001 0.000 0.248 182 G C -0.150 174.572 174.900 -0.297 0.000 0.979 182 G CA 0.256 45.207 45.100 -0.248 0.000 0.650 182 G HN 0.557 8.847 8.290 0.000 0.000 0.529 183 L N -0.203 120.875 121.223 -0.243 0.000 2.331 183 L HA 0.707 5.048 4.340 0.001 0.000 0.275 183 L C 0.468 177.138 176.870 -0.333 0.000 1.022 183 L CA -1.580 53.145 54.840 -0.191 0.000 0.812 183 L CB 0.975 42.984 42.059 -0.083 0.000 1.257 183 L HN 0.069 8.299 8.230 0.000 0.000 0.435 184 Y N 0.260 120.343 120.300 -0.361 0.000 2.316 184 Y HA 0.446 4.997 4.550 0.000 0.000 0.324 184 Y C 0.581 176.185 175.900 -0.493 0.000 1.267 184 Y CA -0.018 57.767 58.100 -0.525 0.000 1.311 184 Y CB 1.693 39.636 38.460 -0.862 0.000 1.267 184 Y HN 0.465 8.745 8.280 0.000 0.000 0.516 185 S N 2.330 118.029 115.700 -0.002 0.000 2.575 185 S HA 0.732 5.203 4.470 0.001 0.000 0.278 185 S C -1.699 173.036 174.600 0.226 0.000 1.139 185 S CA -0.681 57.604 58.200 0.142 0.000 0.954 185 S CB 0.390 63.650 63.200 0.100 0.000 1.054 185 S HN 0.561 8.871 8.310 0.000 0.000 0.483 186 L N 1.758 123.160 121.223 0.298 0.000 2.341 186 L HA 0.947 5.288 4.340 0.001 0.000 0.254 186 L C -0.676 176.328 176.870 0.222 0.000 1.040 186 L CA -0.468 54.524 54.840 0.253 0.000 0.837 186 L CB 1.597 43.823 42.059 0.279 0.000 1.425 186 L HN 0.412 8.642 8.230 0.000 0.000 0.414 187 S N 0.254 116.108 115.700 0.256 0.000 2.500 187 S HA 0.772 5.243 4.470 0.001 0.000 0.301 187 S C -0.867 173.982 174.600 0.416 0.000 1.092 187 S CA -0.546 57.826 58.200 0.286 0.000 1.030 187 S CB 1.534 64.858 63.200 0.207 0.000 1.031 187 S HN 0.854 9.164 8.310 0.000 0.000 0.483 188 S N 2.067 117.988 115.700 0.368 0.000 2.500 188 S HA 0.819 5.290 4.470 0.001 0.000 0.301 188 S C -1.217 173.700 174.600 0.528 0.000 1.092 188 S CA -0.466 57.999 58.200 0.441 0.000 1.030 188 S CB 0.962 64.394 63.200 0.387 0.000 1.031 188 S HN 0.491 8.801 8.310 0.000 0.000 0.483 189 V N 4.544 124.695 119.914 0.394 0.000 2.808 189 V HA 0.751 4.871 4.120 0.001 0.000 0.308 189 V C -1.008 175.006 176.094 -0.134 0.000 1.099 189 V CA -0.507 61.904 62.300 0.186 0.000 0.920 189 V CB 2.089 34.119 31.823 0.344 0.000 1.014 189 V HN 0.729 8.919 8.190 0.000 0.000 0.425 190 V N 4.845 124.520 119.914 -0.398 0.000 2.760 190 V HA 0.748 4.869 4.120 0.001 0.000 0.309 190 V C -0.198 175.657 176.094 -0.398 0.000 1.077 190 V CA -0.127 61.844 62.300 -0.549 0.000 0.910 190 V CB 2.851 34.066 31.823 -1.012 0.000 1.008 190 V HN 1.038 9.228 8.190 0.000 0.000 0.424 191 T N 4.005 118.383 114.554 -0.294 0.000 2.767 191 T HA 0.763 5.114 4.350 0.001 0.000 0.284 191 T C -0.393 174.167 174.700 -0.233 0.000 0.973 191 T CA -0.348 61.623 62.100 -0.214 0.000 0.996 191 T CB 1.223 70.025 68.868 -0.110 0.000 0.927 191 T HN 1.341 9.581 8.240 0.000 0.000 0.456 192 V N -0.478 119.297 119.914 -0.231 0.000 3.102 192 V HA 0.855 4.976 4.120 0.001 0.000 0.312 192 V C -2.982 173.061 176.094 -0.086 0.000 1.135 192 V CA -3.239 58.956 62.300 -0.174 0.000 1.022 192 V CB 1.930 33.586 31.823 -0.279 0.000 1.056 192 V HN 0.720 8.910 8.190 0.000 0.000 0.436 193 P HA 0.220 4.640 4.420 0.000 0.000 0.271 193 P C 0.680 177.988 177.300 0.012 0.000 1.216 193 P CA 0.218 63.315 63.100 -0.005 0.000 0.771 193 P CB 1.339 33.047 31.700 0.012 0.000 0.864 194 S N 2.027 117.730 115.700 0.006 0.000 2.400 194 S HA -0.166 4.305 4.470 0.001 0.000 0.232 194 S C 1.953 176.574 174.600 0.035 0.000 1.025 194 S CA 1.880 60.090 58.200 0.017 0.000 0.993 194 S CB -0.768 62.437 63.200 0.009 0.000 0.808 194 S HN 0.746 9.056 8.310 0.000 0.000 0.478 195 S N 2.234 117.953 115.700 0.032 0.000 2.402 195 S HA -0.095 4.376 4.470 0.001 0.000 0.229 195 S C 1.843 176.470 174.600 0.046 0.000 1.021 195 S CA 1.166 59.385 58.200 0.032 0.000 0.974 195 S CB -0.652 62.561 63.200 0.023 0.000 0.800 195 S HN 0.610 8.920 8.310 0.000 0.000 0.484 196 S N 1.507 117.248 115.700 0.069 0.000 2.555 196 S HA 0.205 4.676 4.470 0.001 0.000 0.230 196 S C 1.658 176.332 174.600 0.124 0.000 0.978 196 S CA 0.259 58.513 58.200 0.090 0.000 0.934 196 S CB -0.792 62.490 63.200 0.136 0.000 0.766 196 S HN 0.519 8.829 8.310 0.000 0.000 0.533 197 L N 1.039 122.344 121.223 0.137 0.000 2.083 197 L HA 0.020 4.361 4.340 0.001 0.000 0.209 197 L C 2.731 179.649 176.870 0.081 0.000 1.083 197 L CA 1.307 56.237 54.840 0.150 0.000 0.752 197 L CB -0.839 41.286 42.059 0.110 0.000 0.899 197 L HN 0.565 8.795 8.230 0.000 0.000 0.433 198 G N -2.065 106.764 108.800 0.049 0.000 2.880 198 G HA2 -0.046 3.915 3.960 0.001 0.000 0.209 198 G HA3 -0.046 3.915 3.960 0.001 0.000 0.209 198 G C 1.337 176.242 174.900 0.008 0.000 1.157 198 G CA 0.735 45.851 45.100 0.027 0.000 0.779 198 G HN 0.271 8.561 8.290 0.000 0.000 0.539 199 T N -0.767 113.786 114.554 -0.001 0.000 3.114 199 T HA 0.151 4.502 4.350 0.001 0.000 0.240 199 T C 0.776 175.434 174.700 -0.070 0.000 0.983 199 T CA 0.063 62.148 62.100 -0.025 0.000 1.151 199 T CB 0.229 69.087 68.868 -0.017 0.000 0.974 199 T HN 0.185 8.425 8.240 0.000 0.000 0.442 200 Q N 3.105 122.833 119.800 -0.119 0.000 2.256 200 Q HA 0.400 4.741 4.340 0.001 0.000 0.254 200 Q C -0.260 175.488 176.000 -0.420 0.000 0.916 200 Q CA -0.307 55.314 55.803 -0.302 0.000 0.932 200 Q CB 0.949 29.429 28.738 -0.431 0.000 1.207 200 Q HN 0.432 8.702 8.270 0.000 0.000 0.426 201 T N 1.376 115.715 114.554 -0.358 0.000 2.889 201 T HA 0.498 4.849 4.350 0.001 0.000 0.291 201 T C -0.783 173.666 174.700 -0.419 0.000 0.995 201 T CA -0.322 61.620 62.100 -0.262 0.000 1.092 201 T CB 0.378 69.193 68.868 -0.088 0.000 0.954 201 T HN 0.460 8.700 8.240 0.000 0.000 0.506 202 Y N 2.132 122.500 120.300 0.113 0.000 2.328 202 Y HA 0.616 5.168 4.550 0.002 0.000 0.336 202 Y C 0.065 176.121 175.900 0.259 0.000 0.960 202 Y CA -1.190 57.031 58.100 0.201 0.000 1.134 202 Y CB 1.509 40.074 38.460 0.175 0.000 1.166 202 Y HN 0.568 8.848 8.280 0.000 0.000 0.464 203 I N 4.025 124.829 120.570 0.390 0.000 2.436 203 I HA 0.357 4.528 4.170 0.001 0.000 0.289 203 I C -0.546 175.589 176.117 0.030 0.000 1.010 203 I CA -0.911 60.501 61.300 0.186 0.000 1.098 203 I CB 1.301 39.347 38.000 0.077 0.000 1.266 203 I HN 0.669 8.879 8.210 0.000 0.000 0.434 204 c N 4.333 122.736 118.600 -0.328 0.000 2.369 204 c HA 0.533 5.104 4.570 0.001 0.000 0.358 204 c C -0.244 173.572 174.090 -0.458 0.000 1.274 204 c CA -0.738 55.055 56.329 -0.893 0.000 1.935 204 c CB 0.068 41.789 42.510 -1.314 0.000 2.431 204 c HN 0.702 8.932 8.230 0.000 0.000 0.545 205 N N 3.134 121.580 118.700 -0.422 0.000 2.469 205 N HA 0.437 5.178 4.740 0.001 0.000 0.253 205 N C -1.048 174.320 175.510 -0.237 0.000 0.970 205 N CA -0.235 52.668 53.050 -0.244 0.000 0.940 205 N CB 1.951 40.343 38.487 -0.160 0.000 1.128 205 N HN 0.649 9.029 8.380 0.000 0.000 0.503 206 V N 2.687 122.484 119.914 -0.195 0.000 2.417 206 V HA 0.328 4.449 4.120 0.001 0.000 0.291 206 V C 0.110 176.128 176.094 -0.127 0.000 1.024 206 V CA -0.802 61.391 62.300 -0.177 0.000 0.861 206 V CB 1.467 33.176 31.823 -0.190 0.000 0.985 206 V HN 0.573 8.763 8.190 0.000 0.000 0.436 207 N N 2.647 121.279 118.700 -0.114 0.000 2.342 207 N HA 0.383 5.124 4.740 0.001 0.000 0.293 207 N C -1.207 174.273 175.510 -0.050 0.000 1.026 207 N CA -0.448 52.556 53.050 -0.077 0.000 0.857 207 N CB 1.833 40.277 38.487 -0.072 0.000 1.256 207 N HN 0.818 9.198 8.380 0.000 0.000 0.484 208 H N 2.748 121.728 119.070 -0.150 0.000 2.991 208 H HA 0.078 4.635 4.556 0.001 0.000 0.304 208 H C 0.374 175.649 175.328 -0.089 0.000 1.040 208 H CA -0.367 55.588 56.048 -0.155 0.000 1.410 208 H CB 1.076 30.724 29.762 -0.191 0.000 1.529 208 H HN 0.534 8.814 8.280 0.000 0.000 0.509 209 K N 4.408 124.618 120.400 -0.317 0.000 2.103 209 K HA 0.008 4.329 4.320 0.001 0.000 0.204 209 K C -1.216 175.200 176.600 -0.307 0.000 1.052 209 K CA 0.702 56.842 56.287 -0.244 0.000 0.945 209 K CB -0.662 31.745 32.500 -0.155 0.000 0.722 209 K HN 0.442 8.692 8.250 0.000 0.000 0.443 210 P HA -0.058 4.362 4.420 0.000 0.000 0.220 210 P C 0.967 178.140 177.300 -0.211 0.000 1.148 210 P CA 1.299 64.204 63.100 -0.323 0.000 0.803 210 P CB -0.019 31.497 31.700 -0.306 0.000 0.782 211 S N -2.332 113.220 115.700 -0.248 0.000 2.556 211 S HA 0.123 4.594 4.470 0.001 0.000 0.216 211 S C 0.918 175.512 174.600 -0.009 0.000 0.970 211 S CA 0.158 58.364 58.200 0.009 0.000 0.912 211 S CB -1.099 62.241 63.200 0.234 0.000 0.790 211 S HN 0.040 8.350 8.310 0.000 0.000 0.504 212 N N 0.890 119.548 118.700 -0.071 0.000 2.747 212 N HA -0.152 4.589 4.740 0.001 0.000 0.249 212 N C -1.054 174.442 175.510 -0.023 0.000 1.107 212 N CA 1.166 54.186 53.050 -0.049 0.000 0.707 212 N CB -1.956 36.513 38.487 -0.032 0.000 1.054 212 N HN 0.510 8.890 8.380 0.000 0.000 0.555 213 T N 1.120 115.672 114.554 -0.003 0.000 2.771 213 T HA 0.288 4.639 4.350 0.001 0.000 0.291 213 T C 0.177 174.866 174.700 -0.017 0.000 0.954 213 T CA -0.330 61.777 62.100 0.011 0.000 1.045 213 T CB 1.464 70.366 68.868 0.057 0.000 0.917 213 T HN 0.251 8.491 8.240 0.000 0.000 0.484 214 K N 3.433 123.815 120.400 -0.030 0.000 2.604 214 K HA 0.543 4.864 4.320 0.001 0.000 0.247 214 K C -1.670 174.899 176.600 -0.052 0.000 0.956 214 K CA -0.561 55.699 56.287 -0.046 0.000 0.896 214 K CB 1.051 33.526 32.500 -0.042 0.000 1.131 214 K HN 0.366 8.616 8.250 0.000 0.000 0.440 215 V N 3.457 123.328 119.914 -0.072 0.000 2.495 215 V HA 0.334 4.455 4.120 0.001 0.000 0.298 215 V C -0.748 175.291 176.094 -0.091 0.000 1.031 215 V CA -0.863 61.391 62.300 -0.077 0.000 0.871 215 V CB 1.834 33.602 31.823 -0.092 0.000 0.988 215 V HN 0.760 8.950 8.190 0.000 0.000 0.432 216 D N 3.760 124.117 120.400 -0.072 0.000 2.303 216 D HA 0.417 5.058 4.640 0.001 0.000 0.236 216 D C -0.408 175.857 176.300 -0.058 0.000 1.068 216 D CA -0.539 53.415 54.000 -0.076 0.000 0.830 216 D CB 2.294 43.063 40.800 -0.051 0.000 1.109 216 D HN 0.336 8.706 8.370 0.000 0.000 0.496 217 K N 2.069 122.426 120.400 -0.071 0.000 2.507 217 K HA 0.182 4.503 4.320 0.001 0.000 0.253 217 K C -0.510 176.103 176.600 0.023 0.000 0.969 217 K CA -0.659 55.611 56.287 -0.028 0.000 0.908 217 K CB 0.913 33.387 32.500 -0.044 0.000 1.127 217 K HN 0.077 8.327 8.250 0.000 0.000 0.437 218 K N 2.838 123.268 120.400 0.051 0.000 2.412 218 K HA 0.178 4.499 4.320 0.001 0.000 0.281 218 K C -0.885 175.794 176.600 0.132 0.000 1.027 218 K CA -0.258 56.086 56.287 0.094 0.000 0.989 218 K CB 0.540 33.083 32.500 0.071 0.000 0.935 218 K HN 0.349 8.599 8.250 0.000 0.000 0.475 219 V N 4.804 124.839 119.914 0.201 0.000 2.334 219 V HA 0.260 4.381 4.120 0.001 0.000 0.281 219 V C -0.492 175.722 176.094 0.199 0.000 1.016 219 V CA -0.696 61.734 62.300 0.216 0.000 0.832 219 V CB 1.148 33.154 31.823 0.304 0.000 0.999 219 V HN 0.804 8.994 8.190 0.000 0.000 0.439 220 E N 4.682 124.968 120.200 0.143 0.000 2.227 220 E HA 0.564 4.915 4.350 0.001 0.000 0.268 220 E C -2.336 174.322 176.600 0.096 0.000 0.907 220 E CA -1.764 54.707 56.400 0.119 0.000 0.786 220 E CB 1.900 31.654 29.700 0.090 0.000 1.191 220 E HN 0.495 8.855 8.360 0.000 0.000 0.411 221 P HA 0.000 4.420 4.420 0.000 0.000 0.216 221 P CA 0.000 63.138 63.100 0.064 0.000 0.800 221 P CB 0.000 31.735 31.700 0.058 0.000 0.726