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 3jpz_1_A DATA FIRST_RESID 3 DATA SEQUENCE FQNDAKANFP DYANHGCVVG RHLNFEMYQR LFGKKTAHGV TVDKVIQPSV DATA SEQUENCE DNFGNCIGLI AGDEESYEVF KELFDAVINE KHKGFGPNDS QPAPDLDASK DATA SEQUENCE LVGGQFDEKY VKSCRIRTGR GIRGLCYPPS CTRGERREVE RVITTALAGL DATA SEQUENCE SGDLSGTYYP LSKMTPEQEN QLIADHFLFQ KPTGHLMVNS ASVRDWPDAR DATA SEQUENCE GIWHNNEKTF LIWINEEDHM RVISMQKGGN VKAVFERFGR GLNAIAEQMK DATA SEQUENCE KNGREYMWNQ RLGYLCACPS NLGTGLRASV HVQLHQLSKH PKFEDIVVAL DATA SEQUENCE QLQKRGTGGE HTAAVDDVYD ISNAARLKKS EREFVQLLID GVKKLIDMEQ DATA SEQUENCE ALEAGKSIDD LIPA 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 F HA 0.000 4.542 4.527 0.024 0.000 0.279 3 F C 0.000 175.821 175.800 0.035 0.000 0.967 3 F CA 0.000 58.016 58.000 0.027 0.000 1.383 3 F CB 0.000 39.018 39.000 0.030 0.000 1.145 4 Q N 6.064 125.488 119.800 -0.626 0.000 2.333 4 Q HA 0.161 4.173 4.340 -0.546 0.000 0.268 4 Q C -1.155 174.281 176.000 -0.940 0.000 1.007 4 Q CA -0.333 55.091 55.803 -0.631 0.000 0.810 4 Q CB 1.940 30.524 28.738 -0.256 0.000 1.264 4 Q HN 0.189 8.206 8.270 -0.422 0.000 0.452 5 N N 5.692 123.914 118.700 -0.797 0.000 3.259 5 N HA -0.056 4.429 4.740 -0.424 0.000 0.308 5 N C -1.096 174.406 175.510 -0.014 0.000 1.334 5 N CA -0.467 52.354 53.050 -0.382 0.000 1.202 5 N CB -0.274 38.174 38.487 -0.066 0.000 1.485 5 N HN 0.327 8.345 8.380 -0.604 0.000 0.549 6 D N 0.176 120.497 120.400 -0.132 0.000 2.616 6 D HA 0.084 4.726 4.640 0.003 0.000 0.260 6 D C -0.075 175.814 176.300 -0.686 0.000 1.158 6 D CA -1.717 52.161 54.000 -0.202 0.000 1.085 6 D CB 1.170 41.895 40.800 -0.125 0.000 1.222 6 D HN -0.662 7.538 8.370 -0.201 0.050 0.626 7 A N -1.790 120.456 122.820 -0.958 0.000 1.940 7 A HA -0.305 3.078 4.320 -1.562 0.000 0.219 7 A C 1.651 179.307 177.584 0.120 0.000 1.176 7 A CA 3.501 55.045 52.037 -0.821 0.000 0.631 7 A CB -0.350 18.342 19.000 -0.513 0.000 0.814 7 A HN 0.287 8.031 8.150 -0.676 0.000 0.446 8 K N -1.827 118.683 120.400 0.182 0.000 2.026 8 K HA -0.242 4.190 4.320 0.187 0.000 0.208 8 K C 2.478 179.123 176.600 0.075 0.000 1.048 8 K CA 2.760 59.132 56.287 0.141 0.000 0.929 8 K CB -0.294 32.194 32.500 -0.020 0.000 0.713 8 K HN -0.155 8.205 8.250 0.080 -0.062 0.439 9 A N -2.415 120.424 122.820 0.032 0.000 2.070 9 A HA -0.104 4.269 4.320 0.089 0.000 0.220 9 A C 1.016 178.677 177.584 0.129 0.000 1.159 9 A CA 2.471 54.558 52.037 0.083 0.000 0.656 9 A CB -0.495 18.553 19.000 0.081 0.000 0.800 9 A HN -0.203 8.215 8.150 -0.021 -0.279 0.453 10 N N -4.882 113.904 118.700 0.144 0.000 2.220 10 N HA 0.041 4.898 4.740 0.194 0.000 0.195 10 N C -0.993 174.601 175.510 0.140 0.000 1.123 10 N CA -0.140 53.045 53.050 0.226 0.000 0.874 10 N CB 2.279 41.004 38.487 0.397 0.000 0.995 10 N HN -0.678 7.600 8.380 0.114 0.170 0.498 11 F N 4.120 124.002 119.950 -0.113 0.000 2.578 11 F HA 0.021 3.822 4.527 -1.210 0.000 0.381 11 F C -1.628 173.921 175.800 -0.418 0.000 1.069 11 F CA -2.594 55.105 58.000 -0.502 0.000 1.231 11 F CB 0.236 39.142 39.000 -0.156 0.000 1.086 11 F HN -0.828 7.643 8.300 0.285 0.000 0.564 12 P HA -0.022 3.939 4.420 -0.764 0.000 0.268 12 P C -2.192 174.397 177.300 -1.184 0.000 1.208 12 P CA -0.435 61.989 63.100 -1.127 0.000 0.777 12 P CB 0.847 31.637 31.700 -1.517 0.000 0.875 13 D N 0.294 120.196 120.400 -0.829 0.000 2.396 13 D HA 0.041 4.417 4.640 -0.440 0.000 0.225 13 D C -0.637 175.207 176.300 -0.759 0.000 1.121 13 D CA -0.941 52.722 54.000 -0.561 0.000 0.853 13 D CB 0.023 40.663 40.800 -0.267 0.000 1.043 13 D HN 0.099 8.042 8.370 -0.711 0.000 0.500 14 Y N 3.945 123.946 120.300 -0.498 0.000 2.470 14 Y HA -0.084 3.823 4.550 -1.071 0.000 0.284 14 Y C -0.090 175.703 175.900 -0.178 0.000 1.188 14 Y CA -0.601 57.161 58.100 -0.564 0.000 1.269 14 Y CB -0.344 37.868 38.460 -0.413 0.000 1.094 14 Y HN 0.095 8.177 8.280 -0.329 0.000 0.518 15 A N 0.292 123.130 122.820 0.029 0.000 2.548 15 A HA -0.158 4.229 4.320 0.111 0.000 0.247 15 A C -0.139 177.598 177.584 0.255 0.000 1.067 15 A CA 1.537 53.648 52.037 0.123 0.000 0.757 15 A CB -0.502 18.552 19.000 0.090 0.000 0.996 15 A HN -0.195 8.164 8.150 -0.052 -0.240 0.504 16 N N -1.332 117.491 118.700 0.205 0.000 2.850 16 N HA -0.409 4.420 4.740 0.149 0.000 0.249 16 N C -1.602 174.019 175.510 0.185 0.000 1.060 16 N CA 1.535 54.712 53.050 0.212 0.000 0.825 16 N CB -1.340 37.309 38.487 0.269 0.000 1.132 16 N HN 0.469 8.940 8.380 0.152 0.000 0.564 17 H N -0.638 118.439 119.070 0.011 0.000 2.519 17 H HA 0.177 4.892 4.556 -0.053 -0.191 0.316 17 H C 0.567 175.886 175.328 -0.015 0.000 1.065 17 H CA 0.368 56.387 56.048 -0.048 0.000 1.264 17 H CB 0.819 30.539 29.762 -0.070 0.000 1.413 17 H HN -0.638 7.776 8.280 0.297 0.044 0.465 18 G N 2.586 111.421 108.800 0.059 0.000 3.314 18 G HA2 0.067 4.042 3.960 0.024 0.000 0.238 18 G HA3 0.067 4.041 3.960 0.023 0.000 0.238 18 G C -0.676 174.232 174.900 0.012 0.000 1.184 18 G CA -0.661 44.457 45.100 0.029 0.000 0.806 18 G HN 0.157 8.462 8.290 0.025 0.000 0.536 19 C N -0.405 118.910 119.300 0.025 0.000 2.644 19 C HA 0.194 4.865 4.460 -0.001 -0.212 0.417 19 C C 1.138 176.084 174.990 -0.072 0.000 1.304 19 C CA -1.762 57.251 59.018 -0.010 0.000 2.035 19 C CB 1.782 29.536 27.740 0.023 0.000 2.673 19 C HN -0.839 7.358 8.230 0.073 0.077 0.602 20 V N 3.871 123.758 119.914 -0.044 0.000 2.332 20 V HA -0.458 3.651 4.120 -0.018 0.000 0.248 20 V C 2.187 178.262 176.094 -0.033 0.000 1.055 20 V CA 4.017 66.309 62.300 -0.014 0.000 1.038 20 V CB -0.232 31.610 31.823 0.033 0.000 0.651 20 V HN 0.258 8.433 8.190 -0.026 0.000 0.450 21 V N -0.867 118.981 119.914 -0.110 0.000 2.332 21 V HA -0.508 3.563 4.120 -0.082 0.000 0.248 21 V C 1.371 177.222 176.094 -0.406 0.000 1.055 21 V CA 4.290 66.484 62.300 -0.177 0.000 1.038 21 V CB -0.414 31.300 31.823 -0.182 0.000 0.651 21 V HN -0.297 7.831 8.190 -0.104 0.000 0.450 22 G N -4.267 104.103 108.800 -0.717 0.000 2.509 22 G HA2 -0.209 2.552 3.960 -1.998 0.000 0.218 22 G HA3 -0.209 2.943 3.960 -1.347 0.000 0.218 22 G C 0.113 174.675 174.900 -0.562 0.000 1.124 22 G CA 1.120 45.473 45.100 -1.245 0.000 0.776 22 G HN -0.590 7.353 8.290 -0.560 0.011 0.547 23 R N -2.635 117.636 120.500 -0.381 0.000 2.276 23 R HA -0.025 4.147 4.340 -0.279 0.000 0.196 23 R C 0.799 176.816 176.300 -0.471 0.000 0.961 23 R CA 0.813 56.688 56.100 -0.375 0.000 1.024 23 R CB 0.246 30.302 30.300 -0.407 0.000 0.940 23 R HN -0.665 7.259 8.270 -0.342 0.141 0.480 24 H N -3.357 115.642 119.070 -0.119 0.000 3.017 24 H HA 0.123 4.664 4.556 -0.024 0.000 0.255 24 H C -0.309 175.007 175.328 -0.020 0.000 0.990 24 H CA 0.407 56.424 56.048 -0.052 0.000 1.205 24 H CB 2.423 32.158 29.762 -0.045 0.000 1.460 24 H HN -0.546 7.482 8.280 -0.164 0.154 0.478 25 L N 2.949 124.194 121.223 0.038 0.000 2.422 25 L HA 0.127 4.569 4.340 0.169 0.000 0.256 25 L C -1.421 175.610 176.870 0.268 0.000 1.202 25 L CA -1.604 53.314 54.840 0.129 0.000 1.119 25 L CB -1.273 40.837 42.059 0.084 0.000 1.383 25 L HN -0.403 7.775 8.230 -0.086 0.000 0.411 26 N N 4.903 123.741 118.700 0.230 0.000 2.381 26 N HA -0.085 4.869 4.740 0.358 0.000 0.254 26 N C 0.027 175.642 175.510 0.175 0.000 1.264 26 N CA -1.844 51.353 53.050 0.245 0.000 0.942 26 N CB 0.655 39.216 38.487 0.123 0.000 1.190 26 N HN -0.629 7.852 8.380 0.168 0.000 0.495 27 F N 0.305 120.053 119.950 -0.336 0.000 2.250 27 F HA -0.313 3.569 4.527 -1.075 0.000 0.301 27 F C 0.791 176.504 175.800 -0.144 0.000 1.077 27 F CA 3.636 61.229 58.000 -0.679 0.000 1.348 27 F CB 0.445 38.940 39.000 -0.841 0.000 1.040 27 F HN 0.388 8.635 8.300 -0.087 0.000 0.509 28 E N -0.232 119.867 120.200 -0.169 0.000 2.046 28 E HA -0.361 3.808 4.350 -0.301 0.000 0.190 28 E C 2.138 178.658 176.600 -0.133 0.000 0.982 28 E CA 3.159 59.452 56.400 -0.178 0.000 0.800 28 E CB -0.489 29.199 29.700 -0.020 0.000 0.756 28 E HN -0.668 7.755 8.360 -0.022 -0.077 0.449 29 M N 1.855 121.449 119.600 -0.009 0.000 2.080 29 M HA -0.419 4.085 4.480 0.039 0.000 0.260 29 M C 1.638 177.982 176.300 0.074 0.000 1.068 29 M CA 3.812 59.145 55.300 0.055 0.000 1.109 29 M CB 0.249 32.920 32.600 0.117 0.000 1.342 29 M HN -0.274 8.354 8.290 0.027 -0.322 0.405 30 Y N -1.029 119.258 120.300 -0.021 0.000 2.151 30 Y HA -0.578 4.054 4.550 0.137 0.000 0.284 30 Y C 1.793 177.653 175.900 -0.066 0.000 1.166 30 Y CA 3.918 62.044 58.100 0.044 0.000 1.163 30 Y CB -0.252 38.334 38.460 0.209 0.000 0.974 30 Y HN -0.322 8.098 8.280 0.233 0.000 0.511 31 Q N -2.353 117.237 119.800 -0.350 0.000 2.079 31 Q HA -0.365 3.727 4.340 -0.414 0.000 0.200 31 Q C 1.742 177.645 176.000 -0.161 0.000 0.974 31 Q CA 2.692 58.247 55.803 -0.413 0.000 0.840 31 Q CB -0.098 28.249 28.738 -0.652 0.000 0.898 31 Q HN -0.339 7.570 8.270 -0.446 0.093 0.430 32 R N -2.791 117.644 120.500 -0.108 0.000 2.081 32 R HA -0.251 4.071 4.340 -0.030 0.000 0.235 32 R C 2.135 178.445 176.300 0.017 0.000 1.131 32 R CA 2.518 58.601 56.100 -0.029 0.000 0.960 32 R CB 0.260 30.558 30.300 -0.004 0.000 0.856 32 R HN -0.584 7.612 8.270 -0.123 0.000 0.436 33 L N -4.169 117.077 121.223 0.038 0.000 2.446 33 L HA -0.004 4.439 4.340 0.172 0.000 0.219 33 L C -0.177 176.745 176.870 0.085 0.000 1.116 33 L CA 0.746 55.669 54.840 0.138 0.000 0.844 33 L CB 0.508 42.705 42.059 0.230 0.000 0.970 33 L HN -0.533 7.686 8.230 0.007 0.015 0.457 34 F N 1.357 121.171 119.950 -0.226 0.000 2.543 34 F HA -0.231 4.132 4.527 -0.274 0.000 0.375 34 F C 0.391 176.129 175.800 -0.103 0.000 1.075 34 F CA 2.674 60.511 58.000 -0.272 0.000 1.225 34 F CB 0.632 39.366 39.000 -0.443 0.000 1.099 34 F HN -0.490 7.707 8.300 -0.008 0.098 0.561 35 G N 4.918 113.486 108.800 -0.387 0.000 2.217 35 G HA2 -0.314 3.491 3.960 -0.259 0.000 0.246 35 G HA3 -0.314 3.607 3.960 -0.065 0.000 0.246 35 G C -0.952 173.898 174.900 -0.082 0.000 0.990 35 G CA -0.342 44.647 45.100 -0.185 0.000 0.627 35 G HN 0.218 8.096 8.290 -0.688 0.000 0.522 36 K N 2.338 122.725 120.400 -0.022 0.000 2.154 36 K HA 0.091 4.384 4.320 -0.045 0.000 0.264 36 K C -1.336 175.294 176.600 0.051 0.000 1.008 36 K CA -0.036 56.249 56.287 -0.003 0.000 0.937 36 K CB 0.972 33.461 32.500 -0.019 0.000 1.002 36 K HN -0.362 7.818 8.250 0.003 0.071 0.469 37 K N -0.248 120.134 120.400 -0.031 0.000 2.523 37 K HA 0.745 5.368 4.320 0.148 -0.214 0.257 37 K C -0.214 176.345 176.600 -0.069 0.000 0.932 37 K CA -1.703 54.597 56.287 0.023 0.000 0.812 37 K CB 3.417 35.925 32.500 0.012 0.000 1.326 37 K HN -0.111 8.087 8.250 -0.087 0.000 0.433 38 T N -1.187 113.352 114.554 -0.025 0.000 2.698 38 T HA 0.119 4.386 4.350 -0.137 0.000 0.295 38 T C 1.569 176.219 174.700 -0.084 0.000 1.007 38 T CA -1.822 60.236 62.100 -0.071 0.000 0.980 38 T CB 1.937 70.817 68.868 0.021 0.000 1.036 38 T HN -0.059 8.227 8.240 0.077 0.000 0.526 39 A N 1.078 123.791 122.820 -0.177 0.000 2.121 39 A HA -0.089 4.128 4.320 -0.172 0.000 0.218 39 A C 0.366 177.778 177.584 -0.288 0.000 1.154 39 A CA 2.172 54.052 52.037 -0.262 0.000 0.679 39 A CB -0.364 18.415 19.000 -0.368 0.000 0.795 39 A HN 0.606 8.637 8.150 -0.197 0.000 0.458 40 H N -3.703 115.373 119.070 0.009 0.000 2.529 40 H HA 0.113 4.679 4.556 0.015 0.000 0.277 40 H C -0.130 175.220 175.328 0.036 0.000 1.004 40 H CA -0.538 55.523 56.048 0.021 0.000 1.167 40 H CB 0.203 29.979 29.762 0.022 0.000 1.445 40 H HN -0.655 7.527 8.280 -0.111 0.031 0.554 41 G N -1.594 107.269 108.800 0.106 0.000 2.157 41 G HA2 -0.426 3.570 3.960 0.059 0.000 0.248 41 G HA3 -0.426 3.583 3.960 0.082 0.000 0.248 41 G C -0.325 174.648 174.900 0.121 0.000 0.979 41 G CA 0.339 45.492 45.100 0.088 0.000 0.650 41 G HN -0.552 7.600 8.290 0.063 0.175 0.529 42 V N 0.285 120.303 119.914 0.174 0.000 2.673 42 V HA -0.164 4.054 4.120 0.164 0.000 0.303 42 V C -0.735 175.540 176.094 0.302 0.000 1.046 42 V CA 0.888 63.319 62.300 0.219 0.000 1.126 42 V CB 0.406 32.398 31.823 0.281 0.000 0.934 42 V HN -0.800 7.450 8.190 0.187 0.052 0.487 43 T N -0.099 114.556 114.554 0.168 0.000 2.926 43 T HA 0.370 5.097 4.350 0.399 -0.138 0.289 43 T C 0.183 174.657 174.700 -0.377 0.000 1.054 43 T CA -3.015 59.148 62.100 0.106 0.000 1.015 43 T CB 3.608 72.458 68.868 -0.030 0.000 1.167 43 T HN -0.432 7.860 8.240 0.086 0.000 0.526 44 V N 1.155 120.695 119.914 -0.623 0.000 2.332 44 V HA -0.490 2.771 4.120 -1.432 0.000 0.248 44 V C 0.382 176.290 176.094 -0.311 0.000 1.055 44 V CA 3.995 65.814 62.300 -0.802 0.000 1.038 44 V CB 0.056 31.656 31.823 -0.372 0.000 0.651 44 V HN 0.704 8.722 8.190 -0.287 0.000 0.450 45 D N -2.105 118.218 120.400 -0.129 0.000 2.123 45 D HA -0.372 4.328 4.640 0.100 0.000 0.196 45 D C 1.653 177.937 176.300 -0.027 0.000 0.992 45 D CA 3.582 57.590 54.000 0.013 0.000 0.833 45 D CB -0.658 40.177 40.800 0.058 0.000 0.954 45 D HN 0.016 8.292 8.370 -0.151 0.004 0.455 46 K N -0.374 119.992 120.400 -0.057 0.000 2.032 46 K HA -0.291 4.033 4.320 0.007 0.000 0.209 46 K C 2.796 179.375 176.600 -0.035 0.000 1.048 46 K CA 2.559 58.834 56.287 -0.020 0.000 0.927 46 K CB -0.206 32.302 32.500 0.012 0.000 0.712 46 K HN -0.705 7.500 8.250 -0.075 0.000 0.441 47 V N -4.864 114.983 119.914 -0.111 0.000 2.809 47 V HA -0.066 4.207 4.120 -0.006 -0.157 0.256 47 V C 1.158 177.180 176.094 -0.120 0.000 1.080 47 V CA 2.824 65.071 62.300 -0.087 0.000 1.102 47 V CB 0.155 31.923 31.823 -0.092 0.000 0.705 47 V HN -0.628 7.438 8.190 -0.207 0.000 0.475 48 I N -5.271 115.237 120.570 -0.102 0.000 3.956 48 I HA 0.462 4.714 4.170 -0.081 -0.131 0.333 48 I C 0.504 176.615 176.117 -0.010 0.000 1.302 48 I CA -0.873 60.395 61.300 -0.053 0.000 1.122 48 I CB -0.167 37.837 38.000 0.005 0.000 1.013 48 I HN -0.455 7.665 8.210 -0.101 0.030 0.405 49 Q N 2.799 122.594 119.800 -0.009 0.000 2.062 49 Q HA -0.320 4.015 4.340 -0.007 0.000 0.209 49 Q C -0.680 175.325 176.000 0.008 0.000 0.996 49 Q CA 4.879 60.683 55.803 0.002 0.000 0.859 49 Q CB -2.720 26.028 28.738 0.016 0.000 0.920 49 Q HN -0.206 8.055 8.270 -0.014 0.000 0.415 50 P HA -0.263 4.181 4.420 0.039 0.000 0.216 50 P C 1.517 178.838 177.300 0.035 0.000 1.150 50 P CA 2.868 65.987 63.100 0.031 0.000 0.843 50 P CB -0.777 30.942 31.700 0.032 0.000 0.787 51 S N -2.940 112.784 115.700 0.039 0.000 2.419 51 S HA -0.235 4.284 4.470 0.082 0.000 0.233 51 S C 1.869 176.558 174.600 0.148 0.000 1.016 51 S CA 3.073 61.330 58.200 0.094 0.000 0.974 51 S CB -0.319 62.936 63.200 0.093 0.000 0.786 51 S HN -0.507 7.799 8.310 0.024 0.018 0.492 52 V N 0.640 120.558 119.914 0.006 0.000 2.426 52 V HA -0.188 3.709 4.120 -0.372 0.000 0.242 52 V C 0.905 176.994 176.094 -0.010 0.000 1.036 52 V CA 2.807 65.007 62.300 -0.165 0.000 1.044 52 V CB 0.495 32.157 31.823 -0.268 0.000 0.688 52 V HN -0.407 7.638 8.190 -0.005 0.142 0.462 53 D N -2.674 117.734 120.400 0.013 0.000 2.144 53 D HA -0.155 4.541 4.640 0.093 0.000 0.199 53 D C 0.284 176.622 176.300 0.063 0.000 0.984 53 D CA 2.357 56.389 54.000 0.055 0.000 0.834 53 D CB 0.205 41.026 40.800 0.035 0.000 0.955 53 D HN -0.671 7.703 8.370 0.006 0.000 0.465 54 N N -0.561 118.134 118.700 -0.010 0.000 2.434 54 N HA 0.023 4.692 4.740 -0.118 0.000 0.272 54 N C -0.755 174.687 175.510 -0.114 0.000 1.040 54 N CA -0.271 52.737 53.050 -0.070 0.000 0.956 54 N CB 0.545 38.986 38.487 -0.077 0.000 1.108 54 N HN -0.672 7.711 8.380 0.005 0.000 0.481 55 F N 3.252 123.000 119.950 -0.338 0.000 2.754 55 F HA -0.002 3.962 4.527 -0.939 0.000 0.297 55 F C 0.290 175.938 175.800 -0.254 0.000 1.122 55 F CA 1.004 58.691 58.000 -0.522 0.000 1.400 55 F CB 0.837 39.553 39.000 -0.473 0.000 1.117 55 F HN 0.266 8.666 8.300 0.167 0.000 0.587 56 G N -1.178 107.628 108.800 0.010 0.000 2.532 56 G HA2 -0.044 3.931 3.960 0.026 0.000 0.291 56 G HA3 -0.044 3.933 3.960 0.029 0.000 0.291 56 G C -1.741 173.172 174.900 0.021 0.000 1.349 56 G CA -1.275 43.838 45.100 0.022 0.000 1.038 56 G HN -0.553 7.975 8.290 0.002 -0.237 0.518 57 N N 0.782 119.499 118.700 0.027 0.000 2.400 57 N HA -0.169 4.757 4.740 0.017 -0.176 0.278 57 N C -0.134 175.393 175.510 0.027 0.000 1.247 57 N CA 0.521 53.584 53.050 0.023 0.000 0.970 57 N CB -1.427 37.072 38.487 0.021 0.000 1.312 57 N HN 0.093 8.491 8.380 0.030 0.000 0.488 58 C N -1.955 117.357 119.300 0.021 0.000 3.323 58 C HA 0.365 4.839 4.460 0.022 0.000 0.324 58 C C -0.373 174.619 174.990 0.004 0.000 1.428 58 C CA -3.070 55.961 59.018 0.021 0.000 1.368 58 C CB 3.121 30.884 27.740 0.038 0.000 1.731 58 C HN -0.430 7.809 8.230 0.016 0.000 0.455 59 I N 2.212 122.781 120.570 -0.002 0.000 2.206 59 I HA -0.213 3.945 4.170 -0.019 0.000 0.239 59 I C 1.156 177.256 176.117 -0.028 0.000 1.078 59 I CA 2.542 63.831 61.300 -0.018 0.000 1.367 59 I CB 0.198 38.184 38.000 -0.023 0.000 1.078 59 I HN 0.728 8.940 8.210 0.003 0.000 0.413 60 G N -4.735 104.055 108.800 -0.016 0.000 2.176 60 G HA2 -0.369 3.595 3.960 0.008 0.000 0.253 60 G HA3 -0.369 3.587 3.960 -0.007 0.000 0.253 60 G C -1.104 173.764 174.900 -0.053 0.000 0.979 60 G CA -0.075 45.017 45.100 -0.013 0.000 0.641 60 G HN 0.164 8.450 8.290 -0.005 0.000 0.530 61 L N -0.699 120.467 121.223 -0.095 0.000 2.322 61 L HA 0.828 5.250 4.340 -0.202 -0.203 0.281 61 L C -2.175 174.627 176.870 -0.113 0.000 1.014 61 L CA -0.697 54.026 54.840 -0.196 0.000 0.815 61 L CB 2.822 44.657 42.059 -0.374 0.000 1.247 61 L HN -0.718 7.412 8.230 -0.080 0.053 0.421 62 I N 4.716 125.245 120.570 -0.068 0.000 2.692 62 I HA 0.472 4.843 4.170 0.084 -0.151 0.293 62 I C -2.762 173.465 176.117 0.184 0.000 1.200 62 I CA -1.983 59.353 61.300 0.059 0.000 1.036 62 I CB 4.899 42.922 38.000 0.039 0.000 1.258 62 I HN 0.315 8.466 8.210 -0.098 0.000 0.421 63 A N 7.151 130.099 122.820 0.213 0.000 2.409 63 A HA 0.142 4.645 4.320 0.305 0.000 0.262 63 A C -1.066 176.699 177.584 0.302 0.000 1.113 63 A CA 0.000 52.169 52.037 0.221 0.000 0.790 63 A CB 0.321 19.338 19.000 0.028 0.000 1.046 63 A HN 0.231 8.357 8.150 0.141 0.109 0.496 64 G N 0.024 108.990 108.800 0.277 0.000 2.511 64 G HA2 -0.063 4.043 3.960 0.245 0.000 0.217 64 G HA3 -0.063 4.021 3.960 0.207 0.000 0.217 64 G C -1.294 173.762 174.900 0.260 0.000 1.133 64 G CA 0.371 45.623 45.100 0.254 0.000 0.792 64 G HN 0.191 8.635 8.290 0.257 0.000 0.539 65 D N -3.498 117.057 120.400 0.258 0.000 2.713 65 D HA 0.134 4.566 4.640 -0.346 0.000 0.306 65 D C -0.408 175.938 176.300 0.077 0.000 1.299 65 D CA -1.450 52.545 54.000 -0.008 0.000 0.823 65 D CB 0.433 41.264 40.800 0.052 0.000 1.353 65 D HN -0.775 7.738 8.370 0.284 0.027 0.447 66 E N 1.130 121.296 120.200 -0.057 0.000 2.110 66 E HA -0.383 4.150 4.350 0.305 0.000 0.193 66 E C 1.133 177.829 176.600 0.159 0.000 0.988 66 E CA 3.786 60.263 56.400 0.128 0.000 0.804 66 E CB 0.126 29.855 29.700 0.048 0.000 0.745 66 E HN 0.561 8.818 8.360 -0.171 0.000 0.458 67 E N -1.241 119.017 120.200 0.097 0.000 2.268 67 E HA -0.262 4.098 4.350 0.018 0.000 0.195 67 E C 2.139 178.726 176.600 -0.022 0.000 0.995 67 E CA 2.859 59.278 56.400 0.033 0.000 0.836 67 E CB -1.040 28.667 29.700 0.011 0.000 0.763 67 E HN 0.206 8.672 8.360 0.115 -0.036 0.491 68 S N 1.157 116.858 115.700 0.002 0.000 2.387 68 S HA -0.299 4.270 4.470 0.166 0.000 0.230 68 S C 1.696 176.033 174.600 -0.438 0.000 1.035 68 S CA 3.566 61.730 58.200 -0.060 0.000 1.014 68 S CB -0.553 62.594 63.200 -0.090 0.000 0.836 68 S HN -0.320 8.020 8.310 0.062 0.007 0.466 69 Y N -1.150 118.851 120.300 -0.500 0.000 2.352 69 Y HA -0.315 3.622 4.550 -1.022 0.000 0.292 69 Y C 1.304 177.081 175.900 -0.204 0.000 1.136 69 Y CA 3.638 61.402 58.100 -0.560 0.000 1.227 69 Y CB -0.480 37.767 38.460 -0.355 0.000 0.991 69 Y HN -0.669 7.496 8.280 -0.170 0.012 0.545 70 E N -1.055 119.127 120.200 -0.029 0.000 2.099 70 E HA -0.140 4.212 4.350 0.004 0.000 0.191 70 E C 2.767 179.301 176.600 -0.110 0.000 0.962 70 E CA 1.974 58.352 56.400 -0.037 0.000 0.826 70 E CB -0.182 29.492 29.700 -0.043 0.000 0.788 70 E HN -0.517 7.798 8.360 -0.044 0.019 0.461 71 V N 0.706 120.468 119.914 -0.253 0.000 2.407 71 V HA -0.375 3.527 4.120 -0.363 0.000 0.248 71 V C 0.686 176.418 176.094 -0.603 0.000 1.055 71 V CA 3.758 65.751 62.300 -0.511 0.000 1.049 71 V CB 0.503 31.846 31.823 -0.800 0.000 0.662 71 V HN -0.314 7.729 8.190 -0.245 0.000 0.455 72 F N -5.000 115.006 119.950 0.095 0.000 2.925 72 F HA 0.323 4.933 4.527 0.138 0.000 0.302 72 F C -0.311 175.659 175.800 0.283 0.000 1.189 72 F CA -2.342 55.777 58.000 0.198 0.000 1.346 72 F CB -2.318 36.869 39.000 0.312 0.000 0.954 72 F HN -0.433 7.754 8.300 -0.189 0.000 0.506 73 K N 1.576 122.113 120.400 0.229 0.000 2.089 73 K HA -0.453 4.256 4.320 0.250 -0.239 0.210 73 K C 1.489 178.235 176.600 0.243 0.000 1.048 73 K CA 4.379 60.795 56.287 0.217 0.000 0.926 73 K CB -0.006 32.554 32.500 0.101 0.000 0.714 73 K HN -0.459 7.692 8.250 0.101 0.160 0.448 74 E N -2.906 117.408 120.200 0.190 0.000 2.274 74 E HA -0.199 4.224 4.350 0.121 0.000 0.194 74 E C 2.146 178.832 176.600 0.142 0.000 0.996 74 E CA 2.363 58.848 56.400 0.142 0.000 0.840 74 E CB -0.674 29.091 29.700 0.107 0.000 0.772 74 E HN 0.079 8.534 8.360 0.178 0.012 0.491 75 L N 0.666 122.003 121.223 0.191 0.000 2.102 75 L HA -0.089 4.282 4.340 0.052 0.000 0.202 75 L C 1.136 178.013 176.870 0.011 0.000 1.076 75 L CA 1.944 56.834 54.840 0.083 0.000 0.761 75 L CB -0.029 42.061 42.059 0.051 0.000 0.921 75 L HN -0.654 7.711 8.230 0.267 0.025 0.444 76 F N -0.738 119.264 119.950 0.086 0.000 2.171 76 F HA -0.486 4.081 4.527 0.066 0.000 0.300 76 F C 1.927 177.795 175.800 0.113 0.000 1.090 76 F CA 4.904 62.963 58.000 0.098 0.000 1.293 76 F CB -0.444 38.639 39.000 0.140 0.000 1.013 76 F HN -0.314 8.298 8.300 0.520 0.000 0.486 77 D N -1.100 119.467 120.400 0.279 0.000 2.144 77 D HA -0.314 4.467 4.640 0.235 0.000 0.200 77 D C 2.094 178.437 176.300 0.071 0.000 0.978 77 D CA 3.672 57.785 54.000 0.188 0.000 0.833 77 D CB -0.695 40.194 40.800 0.147 0.000 0.961 77 D HN 0.180 8.723 8.370 0.287 0.000 0.470 78 A N -0.805 121.997 122.820 -0.030 0.000 1.898 78 A HA -0.161 4.036 4.320 -0.205 0.000 0.216 78 A C 2.075 179.409 177.584 -0.416 0.000 1.181 78 A CA 2.879 54.761 52.037 -0.259 0.000 0.620 78 A CB -0.397 18.411 19.000 -0.320 0.000 0.819 78 A HN -0.775 7.375 8.150 0.000 0.000 0.442 79 V N -0.416 119.354 119.914 -0.239 0.000 2.307 79 V HA -0.517 3.477 4.120 -0.211 0.000 0.245 79 V C 2.016 178.108 176.094 -0.004 0.000 1.045 79 V CA 4.303 66.513 62.300 -0.150 0.000 1.024 79 V CB 0.216 31.973 31.823 -0.111 0.000 0.651 79 V HN -0.702 7.398 8.190 -0.151 0.000 0.449 80 I N -0.623 120.016 120.570 0.115 0.000 2.248 80 I HA -0.543 3.833 4.170 0.344 0.000 0.248 80 I C 2.053 178.322 176.117 0.253 0.000 1.107 80 I CA 4.284 65.740 61.300 0.261 0.000 1.373 80 I CB -0.332 37.838 38.000 0.284 0.000 1.055 80 I HN 0.258 8.546 8.210 0.130 0.000 0.418 81 N N -1.797 116.996 118.700 0.155 0.000 2.309 81 N HA -0.315 4.678 4.740 0.247 -0.105 0.182 81 N C 1.306 176.884 175.510 0.114 0.000 1.018 81 N CA 2.932 56.076 53.050 0.156 0.000 0.876 81 N CB 0.111 38.647 38.487 0.081 0.000 0.972 81 N HN -0.420 8.000 8.380 0.090 0.015 0.434 82 E N 0.113 120.347 120.200 0.057 0.000 2.060 82 E HA -0.227 4.178 4.350 0.092 0.000 0.189 82 E C 2.579 179.201 176.600 0.036 0.000 0.974 82 E CA 2.788 59.233 56.400 0.076 0.000 0.808 82 E CB 0.064 29.848 29.700 0.140 0.000 0.768 82 E HN -0.636 7.617 8.360 0.007 0.112 0.453 83 K N 0.228 120.619 120.400 -0.015 0.000 2.103 83 K HA -0.309 3.931 4.320 -0.133 0.000 0.207 83 K C 1.264 177.690 176.600 -0.290 0.000 1.048 83 K CA 2.148 58.332 56.287 -0.173 0.000 0.930 83 K CB -0.231 32.110 32.500 -0.265 0.000 0.716 83 K HN -0.234 8.020 8.250 0.006 0.000 0.444 84 H N -3.839 115.254 119.070 0.039 0.000 2.507 84 H HA 0.225 4.796 4.556 0.026 0.000 0.294 84 H C -1.127 174.253 175.328 0.086 0.000 1.064 84 H CA -1.213 54.859 56.048 0.041 0.000 1.138 84 H CB -0.414 29.339 29.762 -0.015 0.000 1.515 84 H HN -0.551 7.778 8.280 0.108 0.015 0.547 85 K N -1.843 118.634 120.400 0.129 0.000 3.730 85 K HA -0.513 3.861 4.320 0.090 0.000 0.276 85 K C -0.876 175.809 176.600 0.141 0.000 0.904 85 K CA 1.037 57.390 56.287 0.110 0.000 0.741 85 K CB -2.773 29.775 32.500 0.080 0.000 1.542 85 K HN -0.407 7.712 8.250 0.084 0.181 0.446 86 G N -2.508 106.389 108.800 0.162 0.000 2.858 86 G HA2 -0.358 3.787 3.960 0.120 0.000 0.272 86 G HA3 -0.358 3.675 3.960 0.122 0.000 0.272 86 G C -2.374 172.673 174.900 0.245 0.000 1.003 86 G CA -0.208 44.983 45.100 0.152 0.000 1.241 86 G HN -0.034 8.354 8.290 0.164 0.000 0.569 87 F N 4.062 124.047 119.950 0.059 0.000 3.358 87 F HA 0.313 5.064 4.527 0.026 -0.209 0.396 87 F C -1.521 174.296 175.800 0.029 0.000 1.225 87 F CA -0.706 57.319 58.000 0.040 0.000 1.280 87 F CB 1.915 40.942 39.000 0.045 0.000 2.012 87 F HN -0.112 8.628 8.300 0.251 -0.290 0.685 88 G N 3.654 112.381 108.800 -0.122 0.000 2.543 88 G HA2 0.347 4.317 3.960 0.017 0.000 0.290 88 G HA3 0.347 4.264 3.960 -0.072 0.000 0.290 88 G C -1.530 173.295 174.900 -0.125 0.000 1.310 88 G CA -1.613 43.447 45.100 -0.067 0.000 1.025 88 G HN -0.003 8.438 8.290 -0.202 -0.272 0.502 89 P HA -0.203 4.218 4.420 0.000 0.000 0.218 89 P C 0.518 177.759 177.300 -0.099 0.000 1.149 89 P CA 1.840 64.916 63.100 -0.039 0.000 0.817 89 P CB 0.477 32.170 31.700 -0.011 0.000 0.785 90 N N -4.743 113.878 118.700 -0.132 0.000 2.336 90 N HA -0.018 4.655 4.740 -0.113 0.000 0.189 90 N C -0.591 174.786 175.510 -0.222 0.000 1.113 90 N CA 0.088 53.055 53.050 -0.139 0.000 0.858 90 N CB 0.288 38.716 38.487 -0.098 0.000 0.970 90 N HN 0.032 8.317 8.380 -0.125 0.020 0.471 91 D N 0.794 120.959 120.400 -0.392 0.000 2.339 91 D HA 0.105 4.487 4.640 -0.430 0.000 0.245 91 D C -1.589 174.337 176.300 -0.623 0.000 1.115 91 D CA 0.901 54.518 54.000 -0.639 0.000 0.917 91 D CB 1.352 41.459 40.800 -1.155 0.000 1.192 91 D HN -0.622 7.340 8.370 -0.410 0.161 0.428 92 S N -1.400 114.073 115.700 -0.378 0.000 2.540 92 S HA 0.204 4.864 4.470 0.052 -0.158 0.275 92 S C -0.907 173.809 174.600 0.194 0.000 1.123 92 S CA -1.378 56.801 58.200 -0.034 0.000 0.907 92 S CB 2.387 65.557 63.200 -0.051 0.000 1.081 92 S HN -0.177 7.939 8.310 -0.325 0.000 0.476 93 Q N 6.218 126.189 119.800 0.286 0.000 2.313 93 Q HA 0.238 4.727 4.340 0.248 0.000 0.266 93 Q C -1.741 174.329 176.000 0.117 0.000 0.989 93 Q CA -1.770 54.146 55.803 0.189 0.000 0.890 93 Q CB 0.645 29.413 28.738 0.050 0.000 1.200 93 Q HN -0.119 8.308 8.270 0.262 0.000 0.396 94 P HA -0.097 4.378 4.420 0.092 0.000 0.268 94 P C -1.439 175.955 177.300 0.156 0.000 1.208 94 P CA -0.181 62.982 63.100 0.106 0.000 0.777 94 P CB 0.555 32.300 31.700 0.075 0.000 0.875 95 A N 1.223 124.142 122.820 0.166 0.000 2.547 95 A HA -0.103 4.423 4.320 0.344 0.000 0.233 95 A C -1.590 176.105 177.584 0.184 0.000 1.067 95 A CA -0.804 51.363 52.037 0.217 0.000 0.763 95 A CB -0.560 18.526 19.000 0.143 0.000 1.007 95 A HN 0.100 8.331 8.150 0.136 0.000 0.506 96 P HA -0.143 4.592 4.420 0.264 -0.157 0.268 96 P C -1.656 175.743 177.300 0.165 0.000 1.204 96 P CA -0.281 62.936 63.100 0.195 0.000 0.768 96 P CB 0.613 32.407 31.700 0.158 0.000 0.842 97 D N 4.131 124.666 120.400 0.226 0.000 2.420 97 D HA 0.271 5.008 4.640 0.162 0.000 0.255 97 D C -1.051 175.460 176.300 0.352 0.000 1.185 97 D CA -0.939 53.192 54.000 0.219 0.000 0.904 97 D CB 1.179 42.090 40.800 0.184 0.000 1.102 97 D HN 0.437 9.296 8.370 0.274 -0.325 0.534 98 L N 2.480 123.838 121.223 0.225 0.000 2.912 98 L HA 0.196 4.671 4.340 0.226 0.000 0.240 98 L C -0.725 176.059 176.870 -0.142 0.000 1.262 98 L CA -1.178 53.698 54.840 0.061 0.000 1.058 98 L CB -0.298 41.734 42.059 -0.045 0.000 1.383 98 L HN 0.066 8.382 8.230 0.143 0.000 0.512 99 D N 1.443 121.926 120.400 0.138 0.000 2.479 99 D HA 0.104 4.742 4.640 -0.003 0.000 0.218 99 D C 0.163 176.607 176.300 0.240 0.000 1.131 99 D CA -1.516 52.543 54.000 0.099 0.000 0.916 99 D CB 0.323 41.181 40.800 0.097 0.000 1.022 99 D HN -0.682 8.004 8.370 0.269 -0.154 0.515 100 A N 7.858 130.755 122.820 0.129 0.000 1.940 100 A HA -0.340 4.420 4.320 0.733 0.000 0.219 100 A C 1.386 179.085 177.584 0.192 0.000 1.176 100 A CA 2.972 55.205 52.037 0.325 0.000 0.631 100 A CB -0.333 18.759 19.000 0.154 0.000 0.814 100 A HN 0.042 8.142 8.150 -0.082 0.000 0.446 101 S N -2.244 113.516 115.700 0.100 0.000 2.440 101 S HA -0.253 4.251 4.470 0.057 0.000 0.238 101 S C 1.394 176.034 174.600 0.067 0.000 1.010 101 S CA 2.590 60.829 58.200 0.065 0.000 0.972 101 S CB -1.023 62.199 63.200 0.037 0.000 0.774 101 S HN -0.408 8.060 8.310 0.073 -0.114 0.501 102 K N 0.041 120.498 120.400 0.094 0.000 2.525 102 K HA -0.102 4.250 4.320 0.052 0.000 0.192 102 K C 0.221 176.855 176.600 0.057 0.000 1.029 102 K CA 0.384 56.715 56.287 0.073 0.000 1.029 102 K CB -0.032 32.521 32.500 0.088 0.000 0.814 102 K HN -0.648 7.527 8.250 0.125 0.150 0.503 103 L N -1.162 120.101 121.223 0.066 0.000 2.418 103 L HA -0.027 4.429 4.340 0.004 -0.114 0.265 103 L C -0.350 176.519 176.870 -0.001 0.000 1.143 103 L CA -0.365 54.488 54.840 0.023 0.000 0.809 103 L CB 1.352 43.428 42.059 0.027 0.000 1.124 103 L HN -0.524 7.590 8.230 0.093 0.172 0.456 104 V N 1.721 121.621 119.914 -0.023 0.000 2.378 104 V HA 0.113 4.221 4.120 -0.020 0.000 0.288 104 V C -0.136 175.928 176.094 -0.049 0.000 1.016 104 V CA -0.476 61.809 62.300 -0.025 0.000 0.840 104 V CB 1.162 32.976 31.823 -0.015 0.000 0.994 104 V HN -0.156 8.328 8.190 -0.031 -0.313 0.431 105 G N 5.842 114.607 108.800 -0.059 0.000 2.176 105 G HA2 -0.267 3.648 3.960 -0.075 0.000 0.252 105 G HA3 -0.267 3.653 3.960 -0.067 0.000 0.252 105 G C 0.576 175.352 174.900 -0.206 0.000 1.024 105 G CA 0.487 45.533 45.100 -0.090 0.000 0.755 105 G HN 0.380 8.642 8.290 -0.047 0.000 0.507 106 G N -2.655 106.020 108.800 -0.208 0.000 3.295 106 G HA2 -0.179 3.504 3.960 -0.463 0.000 0.231 106 G HA3 -0.179 3.649 3.960 -0.221 0.000 0.231 106 G C -1.527 173.118 174.900 -0.424 0.000 1.277 106 G CA -0.352 44.547 45.100 -0.335 0.000 1.013 106 G HN 0.161 8.368 8.290 -0.138 0.000 0.509 107 Q N -0.437 119.126 119.800 -0.395 0.000 2.347 107 Q HA 0.329 4.699 4.340 -0.283 -0.200 0.265 107 Q C -1.255 174.605 176.000 -0.233 0.000 1.024 107 Q CA -1.590 54.047 55.803 -0.277 0.000 0.731 107 Q CB 1.187 29.866 28.738 -0.099 0.000 1.245 107 Q HN -0.955 7.026 8.270 -0.327 0.093 0.472 108 F N 5.966 125.945 119.950 0.048 0.000 2.380 108 F HA 0.018 4.575 4.527 0.050 0.000 0.325 108 F C 0.665 176.513 175.800 0.080 0.000 1.136 108 F CA -0.570 57.465 58.000 0.059 0.000 1.171 108 F CB 0.959 39.999 39.000 0.067 0.000 1.230 108 F HN 0.171 8.243 8.300 -0.179 0.121 0.554 109 D N 0.918 121.518 120.400 0.334 0.000 2.412 109 D HA -0.104 4.660 4.640 0.207 0.000 0.257 109 D C 0.268 176.731 176.300 0.271 0.000 1.217 109 D CA 0.389 54.553 54.000 0.273 0.000 0.897 109 D CB 0.321 41.319 40.800 0.329 0.000 1.132 109 D HN 0.189 8.771 8.370 0.353 0.000 0.493 110 E N 6.472 126.777 120.200 0.175 0.000 2.502 110 E HA -0.076 4.545 4.350 0.156 -0.177 0.194 110 E C 1.565 178.195 176.600 0.049 0.000 1.062 110 E CA 1.214 57.690 56.400 0.126 0.000 0.867 110 E CB -0.090 29.668 29.700 0.097 0.000 0.888 110 E HN 0.455 8.902 8.360 0.146 0.000 0.510 111 K N -0.660 119.739 120.400 -0.002 0.000 2.283 111 K HA -0.265 3.954 4.320 -0.168 0.000 0.202 111 K C 1.838 178.195 176.600 -0.405 0.000 1.048 111 K CA 2.971 59.121 56.287 -0.228 0.000 0.948 111 K CB 0.159 32.443 32.500 -0.360 0.000 0.742 111 K HN -0.188 8.358 8.250 0.056 -0.263 0.458 112 Y N -3.308 117.011 120.300 0.032 0.000 2.472 112 Y HA -0.067 4.474 4.550 -0.015 0.000 0.288 112 Y C 0.517 176.410 175.900 -0.010 0.000 1.154 112 Y CA 1.714 59.812 58.100 -0.003 0.000 1.238 112 Y CB 2.276 40.726 38.460 -0.016 0.000 1.287 112 Y HN -0.595 7.646 8.280 0.172 0.142 0.524 113 V N -0.361 119.653 119.914 0.166 0.000 2.408 113 V HA 0.016 4.350 4.120 0.061 -0.177 0.267 113 V C 0.212 176.375 176.094 0.115 0.000 1.047 113 V CA 1.009 63.369 62.300 0.100 0.000 0.937 113 V CB -0.052 31.828 31.823 0.096 0.000 0.999 113 V HN -0.315 8.007 8.190 0.219 0.000 0.472 114 K N 5.670 126.132 120.400 0.103 0.000 2.262 114 K HA 0.124 4.488 4.320 0.075 0.000 0.200 114 K C 0.075 176.722 176.600 0.077 0.000 1.049 114 K CA -0.197 56.144 56.287 0.090 0.000 0.979 114 K CB 1.034 33.595 32.500 0.102 0.000 0.773 114 K HN 0.678 8.995 8.250 0.112 0.000 0.474 115 S N -4.845 110.898 115.700 0.072 0.000 2.615 115 S HA 0.556 5.334 4.470 0.047 -0.279 0.268 115 S C -2.166 172.450 174.600 0.027 0.000 1.146 115 S CA -0.583 57.627 58.200 0.016 0.000 0.818 115 S CB 2.766 65.906 63.200 -0.099 0.000 1.111 115 S HN -0.681 7.687 8.310 0.097 0.000 0.465 116 C N -1.164 118.154 119.300 0.030 0.000 2.871 116 C HA 0.834 5.683 4.460 0.049 -0.359 0.378 116 C C -2.080 172.932 174.990 0.038 0.000 1.052 116 C CA -1.231 57.821 59.018 0.057 0.000 1.250 116 C CB 3.335 31.168 27.740 0.154 0.000 1.689 116 C HN 0.596 8.845 8.230 0.030 0.000 0.506 117 R N 2.121 122.625 120.500 0.007 0.000 2.854 117 R HA 1.052 5.588 4.340 0.042 -0.170 0.271 117 R C -1.938 174.344 176.300 -0.030 0.000 0.996 117 R CA -2.511 53.594 56.100 0.008 0.000 0.961 117 R CB 3.426 33.719 30.300 -0.011 0.000 1.182 117 R HN 0.492 8.762 8.270 -0.001 0.000 0.479 118 I N -0.088 120.448 120.570 -0.056 0.000 2.499 118 I HA 0.734 4.988 4.170 -0.197 -0.203 0.288 118 I C -1.944 174.096 176.117 -0.129 0.000 1.048 118 I CA -1.280 59.886 61.300 -0.222 0.000 1.062 118 I CB 3.726 41.416 38.000 -0.517 0.000 1.238 118 I HN 0.446 8.659 8.210 0.005 0.000 0.426 119 R N 5.957 126.409 120.500 -0.080 0.000 2.807 119 R HA 1.173 5.842 4.340 0.198 -0.209 0.276 119 R C -1.637 174.748 176.300 0.142 0.000 0.979 119 R CA -2.186 53.956 56.100 0.070 0.000 0.928 119 R CB 4.203 34.466 30.300 -0.061 0.000 1.191 119 R HN 0.686 8.768 8.270 -0.127 0.113 0.471 120 T N 1.114 115.780 114.554 0.186 0.000 2.681 120 T HA 0.674 5.304 4.350 0.058 -0.246 0.296 120 T C -2.022 172.648 174.700 -0.050 0.000 1.157 120 T CA -2.914 59.241 62.100 0.092 0.000 1.025 120 T CB 2.013 70.996 68.868 0.192 0.000 1.441 120 T HN 0.133 8.470 8.240 0.162 0.000 0.504 121 G N -1.102 107.644 108.800 -0.090 0.000 2.533 121 G HA2 0.710 4.763 3.960 -0.132 0.000 0.304 121 G HA3 0.710 4.623 3.960 -0.079 0.000 0.304 121 G C -1.771 173.005 174.900 -0.206 0.000 1.263 121 G CA -0.743 44.284 45.100 -0.122 0.000 0.964 121 G HN 0.241 8.489 8.290 -0.071 0.000 0.479 122 R N -0.862 119.516 120.500 -0.204 0.000 2.621 122 R HA 0.391 4.586 4.340 -0.241 0.000 0.284 122 R C -1.496 174.820 176.300 0.027 0.000 0.998 122 R CA -2.382 53.569 56.100 -0.248 0.000 0.895 122 R CB 4.333 34.224 30.300 -0.682 0.000 1.195 122 R HN 0.496 8.679 8.270 -0.145 0.000 0.450 123 G N 0.284 109.188 108.800 0.173 0.000 2.412 123 G HA2 0.539 4.721 3.960 0.370 0.000 0.318 123 G HA3 0.539 4.718 3.960 0.365 0.000 0.318 123 G C -1.708 173.431 174.900 0.399 0.000 1.146 123 G CA -1.791 43.516 45.100 0.344 0.000 0.882 123 G HN 0.292 8.691 8.290 0.181 0.000 0.501 124 I N 1.800 122.668 120.570 0.497 0.000 2.312 124 I HA 0.152 4.468 4.170 0.243 0.000 0.290 124 I C -0.777 175.423 176.117 0.140 0.000 1.008 124 I CA -2.455 58.981 61.300 0.227 0.000 1.226 124 I CB -0.592 37.430 38.000 0.036 0.000 1.371 124 I HN -0.174 8.588 8.210 0.920 0.000 0.468 125 R N 7.857 128.433 120.500 0.126 0.000 2.640 125 R HA -0.280 4.108 4.340 0.080 0.000 0.270 125 R C 0.854 177.178 176.300 0.040 0.000 1.024 125 R CA 1.698 57.850 56.100 0.085 0.000 1.085 125 R CB 0.672 31.032 30.300 0.100 0.000 0.963 125 R HN 0.286 8.645 8.270 0.149 0.000 0.426 126 G N 3.065 111.889 108.800 0.039 0.000 2.194 126 G HA2 -0.370 3.652 3.960 0.104 0.000 0.236 126 G HA3 -0.370 3.610 3.960 0.033 0.000 0.236 126 G C -1.297 173.580 174.900 -0.038 0.000 0.987 126 G CA -0.174 44.953 45.100 0.045 0.000 0.635 126 G HN 0.514 8.833 8.290 0.049 0.000 0.520 127 L N -1.508 119.651 121.223 -0.107 0.000 2.408 127 L HA 0.270 4.466 4.340 -0.240 0.000 0.268 127 L C -0.493 176.261 176.870 -0.193 0.000 0.986 127 L CA -1.666 53.066 54.840 -0.181 0.000 0.820 127 L CB 3.041 44.994 42.059 -0.176 0.000 1.303 127 L HN -0.720 7.419 8.230 -0.066 0.051 0.411 128 C N 3.492 122.626 119.300 -0.276 0.000 2.657 128 C HA -0.244 4.015 4.460 -0.334 0.000 0.420 128 C C 0.118 175.136 174.990 0.047 0.000 1.323 128 C CA 1.285 60.177 59.018 -0.209 0.000 1.894 128 C CB 0.639 28.291 27.740 -0.146 0.000 2.681 128 C HN -0.171 8.159 8.230 -0.309 -0.286 0.613 129 Y N 3.472 123.814 120.300 0.070 0.000 2.546 129 Y HA -0.153 4.264 4.550 -0.222 0.000 0.351 129 Y C -0.161 175.784 175.900 0.075 0.000 1.266 129 Y CA 0.206 58.291 58.100 -0.025 0.000 1.487 129 Y CB -1.272 37.163 38.460 -0.041 0.000 1.365 129 Y HN -0.429 7.684 8.280 -0.278 0.000 0.642 130 P HA -0.095 4.453 4.420 0.213 0.000 0.217 130 P C -1.240 176.163 177.300 0.172 0.000 1.148 130 P CA 3.341 66.563 63.100 0.204 0.000 0.834 130 P CB -1.310 30.495 31.700 0.174 0.000 0.783 131 P HA -0.037 4.594 4.420 0.122 -0.138 0.218 131 P C 0.849 178.226 177.300 0.128 0.000 1.149 131 P CA 2.338 65.520 63.100 0.136 0.000 0.817 131 P CB 0.087 31.866 31.700 0.131 0.000 0.785 132 S N -3.752 112.031 115.700 0.138 0.000 2.733 132 S HA 0.185 4.716 4.470 0.102 0.000 0.247 132 S C -0.395 174.257 174.600 0.087 0.000 1.043 132 S CA -0.159 58.107 58.200 0.111 0.000 1.066 132 S CB 1.385 64.656 63.200 0.118 0.000 1.045 132 S HN -0.277 8.104 8.310 0.160 0.025 0.586 133 C N 1.734 121.092 119.300 0.098 0.000 2.601 133 C HA 0.308 5.007 4.460 0.032 -0.220 0.409 133 C C 0.335 175.364 174.990 0.064 0.000 1.293 133 C CA -2.084 56.976 59.018 0.070 0.000 2.101 133 C CB 1.199 29.005 27.740 0.110 0.000 2.639 133 C HN -0.500 7.806 8.230 0.127 0.000 0.592 134 T N 2.486 117.064 114.554 0.041 0.000 2.788 134 T HA 0.136 4.516 4.350 0.050 0.000 0.287 134 T C 1.392 176.115 174.700 0.038 0.000 1.007 134 T CA -1.370 60.755 62.100 0.041 0.000 1.005 134 T CB 1.315 70.201 68.868 0.031 0.000 1.012 134 T HN -0.023 8.487 8.240 0.025 -0.255 0.530 135 R N 0.518 121.041 120.500 0.038 0.000 2.105 135 R HA -0.381 3.980 4.340 0.035 0.000 0.239 135 R C 2.631 178.940 176.300 0.015 0.000 1.135 135 R CA 4.006 60.124 56.100 0.030 0.000 0.967 135 R CB -0.505 29.813 30.300 0.030 0.000 0.861 135 R HN 0.561 8.855 8.270 0.040 0.000 0.442 136 G N -2.163 106.644 108.800 0.012 0.000 2.394 136 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 136 G HA3 -0.170 3.792 3.960 0.003 0.000 0.215 136 G C 1.129 176.021 174.900 -0.013 0.000 1.165 136 G CA 1.293 46.394 45.100 0.001 0.000 0.784 136 G HN 0.081 8.364 8.290 0.016 0.017 0.535 137 E N 1.793 121.984 120.200 -0.015 0.000 2.085 137 E HA -0.420 3.898 4.350 -0.054 0.000 0.194 137 E C 2.107 178.670 176.600 -0.062 0.000 0.994 137 E CA 3.184 59.558 56.400 -0.043 0.000 0.801 137 E CB -0.208 29.467 29.700 -0.042 0.000 0.743 137 E HN -0.484 7.873 8.360 -0.004 0.000 0.453 138 R N -1.369 119.116 120.500 -0.024 0.000 2.092 138 R HA -0.287 4.031 4.340 -0.036 0.000 0.231 138 R C 2.338 178.618 176.300 -0.034 0.000 1.119 138 R CA 3.229 59.318 56.100 -0.018 0.000 0.970 138 R CB -0.090 30.229 30.300 0.031 0.000 0.864 138 R HN -0.360 7.900 8.270 -0.003 0.009 0.440 139 R N -2.293 118.193 120.500 -0.023 0.000 2.115 139 R HA -0.266 4.069 4.340 -0.010 0.000 0.230 139 R C 2.418 178.692 176.300 -0.043 0.000 1.111 139 R CA 3.404 59.492 56.100 -0.020 0.000 0.976 139 R CB -0.217 30.078 30.300 -0.008 0.000 0.870 139 R HN -0.446 7.815 8.270 -0.015 0.000 0.445 140 E N 0.103 120.267 120.200 -0.061 0.000 2.107 140 E HA -0.197 4.114 4.350 -0.065 0.000 0.191 140 E C 2.120 178.649 176.600 -0.118 0.000 0.982 140 E CA 2.575 58.928 56.400 -0.079 0.000 0.809 140 E CB -0.704 28.951 29.700 -0.075 0.000 0.756 140 E HN -0.553 7.660 8.360 -0.058 0.113 0.459 141 V N 0.815 120.627 119.914 -0.170 0.000 2.255 141 V HA -0.608 3.364 4.120 -0.246 0.000 0.247 141 V C 1.392 177.402 176.094 -0.140 0.000 1.051 141 V CA 4.967 67.129 62.300 -0.230 0.000 1.018 141 V CB -0.238 31.350 31.823 -0.392 0.000 0.641 141 V HN -0.216 7.870 8.190 -0.173 0.000 0.445 142 E N -0.956 119.188 120.200 -0.094 0.000 2.118 142 E HA -0.500 3.793 4.350 -0.095 0.000 0.195 142 E C 2.032 178.552 176.600 -0.133 0.000 0.992 142 E CA 3.413 59.763 56.400 -0.083 0.000 0.804 142 E CB -0.203 29.496 29.700 -0.000 0.000 0.741 142 E HN -0.342 7.972 8.360 -0.078 0.000 0.458 143 R N -1.122 119.320 120.500 -0.097 0.000 2.066 143 R HA -0.241 4.043 4.340 -0.093 0.000 0.232 143 R C 2.299 178.528 176.300 -0.119 0.000 1.131 143 R CA 3.229 59.273 56.100 -0.094 0.000 0.955 143 R CB -0.001 30.262 30.300 -0.062 0.000 0.851 143 R HN -0.348 7.862 8.270 -0.082 0.011 0.432 144 V N -0.147 119.698 119.914 -0.114 0.000 2.255 144 V HA -0.529 3.529 4.120 -0.103 0.000 0.247 144 V C 2.017 178.028 176.094 -0.139 0.000 1.051 144 V CA 4.435 66.667 62.300 -0.113 0.000 1.018 144 V CB 0.053 31.815 31.823 -0.102 0.000 0.641 144 V HN -0.269 7.855 8.190 -0.110 0.000 0.445 145 I N -2.036 118.441 120.570 -0.154 0.000 2.226 145 I HA -0.492 3.583 4.170 -0.159 0.000 0.245 145 I C 2.110 178.053 176.117 -0.290 0.000 1.100 145 I CA 4.141 65.328 61.300 -0.188 0.000 1.374 145 I CB -0.187 37.718 38.000 -0.159 0.000 1.057 145 I HN -0.171 7.951 8.210 -0.146 0.000 0.413 146 T N -0.185 114.167 114.554 -0.337 0.000 2.777 146 T HA -0.370 3.664 4.350 -0.527 0.000 0.266 146 T C 2.005 176.556 174.700 -0.250 0.000 1.040 146 T CA 4.683 66.529 62.100 -0.423 0.000 1.141 146 T CB -0.151 68.390 68.868 -0.545 0.000 0.868 146 T HN -0.283 7.775 8.240 -0.305 0.000 0.444 147 T N 1.786 116.235 114.554 -0.175 0.000 2.942 147 T HA -0.224 4.071 4.350 -0.092 0.000 0.265 147 T C 1.190 175.815 174.700 -0.126 0.000 1.062 147 T CA 2.953 64.983 62.100 -0.115 0.000 1.139 147 T CB 0.090 68.908 68.868 -0.084 0.000 0.883 147 T HN -0.297 7.841 8.240 -0.170 0.000 0.468 148 A N 0.473 123.199 122.820 -0.157 0.000 1.933 148 A HA -0.203 4.038 4.320 -0.131 0.000 0.218 148 A C 2.391 179.855 177.584 -0.200 0.000 1.175 148 A CA 2.638 54.580 52.037 -0.160 0.000 0.628 148 A CB -0.446 18.457 19.000 -0.162 0.000 0.814 148 A HN -0.534 7.516 8.150 -0.166 0.000 0.444 149 L N -1.845 119.201 121.223 -0.294 0.000 2.141 149 L HA -0.282 3.769 4.340 -0.481 0.000 0.209 149 L C 2.165 178.920 176.870 -0.193 0.000 1.094 149 L CA 2.392 56.964 54.840 -0.445 0.000 0.763 149 L CB -0.232 41.307 42.059 -0.867 0.000 0.908 149 L HN -0.213 7.725 8.230 -0.309 0.106 0.437 150 A N -2.979 119.784 122.820 -0.096 0.000 2.172 150 A HA -0.140 4.234 4.320 0.089 0.000 0.216 150 A C 0.790 178.377 177.584 0.005 0.000 1.154 150 A CA 1.714 53.758 52.037 0.012 0.000 0.701 150 A CB -0.445 18.557 19.000 0.004 0.000 0.789 150 A HN -0.320 7.630 8.150 -0.126 0.125 0.465 151 G N -2.944 105.833 108.800 -0.038 0.000 3.088 151 G HA2 0.100 4.049 3.960 -0.018 0.000 0.217 151 G HA3 0.100 4.030 3.960 -0.049 0.000 0.217 151 G C -0.466 174.419 174.900 -0.025 0.000 1.159 151 G CA -0.534 44.546 45.100 -0.033 0.000 0.760 151 G HN -0.556 7.633 8.290 -0.073 0.057 0.550 152 L N -0.155 121.060 121.223 -0.012 0.000 2.417 152 L HA 0.037 4.368 4.340 -0.015 0.000 0.268 152 L C -0.527 176.380 176.870 0.061 0.000 1.158 152 L CA 0.641 55.490 54.840 0.015 0.000 0.819 152 L CB 0.272 42.354 42.059 0.038 0.000 1.112 152 L HN -0.723 7.342 8.230 -0.018 0.154 0.458 153 S N -0.684 115.042 115.700 0.043 0.000 2.911 153 S HA 0.601 5.112 4.470 0.068 0.000 0.319 153 S C 0.128 174.754 174.600 0.043 0.000 1.154 153 S CA -1.491 56.736 58.200 0.046 0.000 0.857 153 S CB 2.927 66.139 63.200 0.020 0.000 1.279 153 S HN -0.215 8.109 8.310 0.022 0.000 0.593 154 G N 1.256 110.075 108.800 0.033 0.000 2.583 154 G HA2 -0.447 3.525 3.960 0.022 0.000 0.292 154 G HA3 -0.447 3.521 3.960 0.014 0.000 0.292 154 G C 0.002 174.927 174.900 0.041 0.000 1.203 154 G CA 1.232 46.347 45.100 0.025 0.000 0.987 154 G HN 0.320 8.628 8.290 0.030 0.000 0.554 155 D N 2.507 122.926 120.400 0.032 0.000 2.363 155 D HA -0.094 4.579 4.640 0.055 0.000 0.226 155 D C -0.060 176.288 176.300 0.080 0.000 1.020 155 D CA 0.936 54.965 54.000 0.048 0.000 0.892 155 D CB -1.262 39.557 40.800 0.031 0.000 0.900 155 D HN 0.234 8.613 8.370 0.016 0.000 0.531 156 L N -2.348 118.931 121.223 0.093 0.000 2.667 156 L HA 0.199 4.705 4.340 0.278 0.000 0.232 156 L C -0.637 176.445 176.870 0.353 0.000 1.138 156 L CA -1.039 53.930 54.840 0.216 0.000 0.921 156 L CB 0.020 42.132 42.059 0.088 0.000 1.180 156 L HN -0.727 7.478 8.230 0.066 0.064 0.487 157 S N 1.092 116.914 115.700 0.203 0.000 2.533 157 S HA -0.141 4.481 4.470 0.253 0.000 0.282 157 S C -0.579 174.081 174.600 0.100 0.000 1.304 157 S CA 1.622 59.934 58.200 0.186 0.000 1.063 157 S CB 0.781 64.037 63.200 0.093 0.000 0.881 157 S HN -0.944 7.398 8.310 0.137 0.050 0.493 158 G N 1.814 110.664 108.800 0.085 0.000 2.619 158 G HA2 0.605 4.488 3.960 -0.402 0.000 0.305 158 G HA3 0.605 4.097 3.960 -1.027 -0.148 0.305 158 G C -2.027 172.657 174.900 -0.359 0.000 1.330 158 G CA -0.245 44.594 45.100 -0.434 0.000 0.789 158 G HN -0.123 8.323 8.290 0.260 0.000 0.487 159 T N -3.348 110.757 114.554 -0.747 0.000 2.907 159 T HA 0.296 4.520 4.350 -0.210 0.000 0.292 159 T C -1.993 172.421 174.700 -0.476 0.000 1.043 159 T CA -2.609 59.193 62.100 -0.497 0.000 1.003 159 T CB 2.677 71.185 68.868 -0.600 0.000 1.084 159 T HN 0.020 7.622 8.240 -1.063 0.000 0.483 160 Y N 4.576 124.742 120.300 -0.224 0.000 2.330 160 Y HA 0.178 4.816 4.550 0.146 0.000 0.336 160 Y C -1.746 174.019 175.900 -0.226 0.000 1.036 160 Y CA -2.081 56.023 58.100 0.007 0.000 1.125 160 Y CB 1.567 40.155 38.460 0.213 0.000 1.194 160 Y HN 0.346 8.652 8.280 0.043 0.000 0.469 161 Y N 7.166 127.207 120.300 -0.433 0.000 2.575 161 Y HA 0.361 4.718 4.550 -0.322 0.000 0.326 161 Y C -2.135 173.357 175.900 -0.679 0.000 0.979 161 Y CA -3.021 54.832 58.100 -0.411 0.000 1.286 161 Y CB 1.447 39.816 38.460 -0.151 0.000 1.093 161 Y HN 0.735 8.797 8.280 -0.184 0.108 0.501 162 P HA 0.017 4.144 4.420 -0.488 0.000 0.267 162 P C 0.503 177.679 177.300 -0.207 0.000 1.205 162 P CA -0.194 62.664 63.100 -0.404 0.000 0.765 162 P CB 0.390 31.963 31.700 -0.212 0.000 0.828 163 L N 4.380 125.482 121.223 -0.202 0.000 2.127 163 L HA -0.341 3.871 4.340 -0.213 0.000 0.211 163 L C 2.156 178.935 176.870 -0.151 0.000 1.089 163 L CA 3.007 57.717 54.840 -0.216 0.000 0.757 163 L CB -0.641 41.220 42.059 -0.331 0.000 0.899 163 L HN 0.243 8.359 8.230 -0.190 0.000 0.434 164 S N -2.085 113.537 115.700 -0.130 0.000 2.481 164 S HA -0.147 4.272 4.470 -0.085 0.000 0.231 164 S C 0.563 175.129 174.600 -0.056 0.000 0.996 164 S CA 2.244 60.392 58.200 -0.085 0.000 0.942 164 S CB -0.025 63.136 63.200 -0.066 0.000 0.768 164 S HN 0.275 8.485 8.310 -0.132 0.021 0.520 165 K N -1.423 118.941 120.400 -0.060 0.000 2.438 165 K HA 0.111 4.415 4.320 -0.027 0.000 0.206 165 K C -0.549 176.034 176.600 -0.028 0.000 1.081 165 K CA -0.974 55.291 56.287 -0.036 0.000 1.053 165 K CB 1.161 33.644 32.500 -0.030 0.000 0.908 165 K HN -0.802 7.363 8.250 -0.079 0.038 0.556 166 M N 1.559 121.132 119.600 -0.046 0.000 2.336 166 M HA -0.240 4.392 4.480 -0.018 -0.162 0.371 166 M C 0.354 176.636 176.300 -0.030 0.000 1.542 166 M CA 0.854 56.130 55.300 -0.041 0.000 0.959 166 M CB 0.160 32.712 32.600 -0.081 0.000 2.033 166 M HN -0.388 7.748 8.290 -0.067 0.114 0.472 167 T N 4.881 119.424 114.554 -0.017 0.000 2.913 167 T HA 0.442 4.783 4.350 -0.016 0.000 0.287 167 T C -0.711 173.969 174.700 -0.034 0.000 1.008 167 T CA -3.727 58.362 62.100 -0.017 0.000 1.067 167 T CB 1.103 69.969 68.868 -0.003 0.000 0.996 167 T HN -0.128 8.311 8.240 -0.004 -0.202 0.513 168 P HA -0.183 4.212 4.420 -0.041 0.000 0.218 168 P C 1.523 178.797 177.300 -0.044 0.000 1.148 168 P CA 2.450 65.528 63.100 -0.036 0.000 0.822 168 P CB 0.001 31.685 31.700 -0.026 0.000 0.784 169 E N -1.598 118.580 120.200 -0.036 0.000 2.012 169 E HA -0.342 3.984 4.350 -0.040 0.000 0.197 169 E C 2.397 178.956 176.600 -0.068 0.000 1.007 169 E CA 3.916 60.292 56.400 -0.040 0.000 0.816 169 E CB -0.673 29.014 29.700 -0.021 0.000 0.762 169 E HN 0.298 8.632 8.360 -0.027 0.010 0.451 170 Q N -1.543 118.212 119.800 -0.074 0.000 2.112 170 Q HA -0.412 3.821 4.340 -0.179 0.000 0.206 170 Q C 2.516 178.395 176.000 -0.202 0.000 0.987 170 Q CA 3.110 58.819 55.803 -0.157 0.000 0.858 170 Q CB -0.110 28.553 28.738 -0.124 0.000 0.905 170 Q HN -0.367 7.874 8.270 -0.048 0.000 0.420 171 E N -1.274 118.843 120.200 -0.139 0.000 2.152 171 E HA -0.336 3.923 4.350 -0.152 0.000 0.192 171 E C 1.919 178.454 176.600 -0.108 0.000 0.983 171 E CA 2.571 58.894 56.400 -0.128 0.000 0.818 171 E CB -0.097 29.544 29.700 -0.098 0.000 0.758 171 E HN -0.344 7.940 8.360 -0.107 0.011 0.467 172 N N -0.404 118.240 118.700 -0.094 0.000 2.120 172 N HA -0.320 4.374 4.740 -0.075 0.000 0.188 172 N C 2.504 177.949 175.510 -0.109 0.000 1.024 172 N CA 3.099 56.098 53.050 -0.085 0.000 0.852 172 N CB -0.266 38.181 38.487 -0.067 0.000 1.003 172 N HN -0.501 7.826 8.380 -0.087 0.000 0.424 173 Q N 0.731 120.456 119.800 -0.126 0.000 2.079 173 Q HA -0.189 4.066 4.340 -0.142 0.000 0.200 173 Q C 2.226 178.114 176.000 -0.187 0.000 0.974 173 Q CA 2.619 58.333 55.803 -0.149 0.000 0.840 173 Q CB -0.316 28.340 28.738 -0.137 0.000 0.898 173 Q HN -0.485 7.711 8.270 -0.124 0.000 0.430 174 L N -1.295 119.828 121.223 -0.168 0.000 2.141 174 L HA -0.263 4.009 4.340 -0.113 0.000 0.209 174 L C 2.308 179.121 176.870 -0.095 0.000 1.094 174 L CA 2.814 57.589 54.840 -0.108 0.000 0.763 174 L CB -0.223 41.800 42.059 -0.060 0.000 0.908 174 L HN -0.490 7.636 8.230 -0.173 0.000 0.437 175 I N -1.308 119.201 120.570 -0.102 0.000 2.315 175 I HA -0.519 3.643 4.170 -0.014 0.000 0.248 175 I C 2.216 178.203 176.117 -0.215 0.000 1.117 175 I CA 3.771 65.022 61.300 -0.082 0.000 1.404 175 I CB -0.402 37.564 38.000 -0.055 0.000 1.071 175 I HN -0.367 7.770 8.210 -0.105 0.009 0.419 176 A N -0.584 122.072 122.820 -0.274 0.000 1.930 176 A HA -0.251 3.841 4.320 -0.381 0.000 0.217 176 A C 1.032 178.227 177.584 -0.648 0.000 1.175 176 A CA 2.803 54.607 52.037 -0.388 0.000 0.627 176 A CB -0.743 18.101 19.000 -0.259 0.000 0.815 176 A HN -0.379 7.544 8.150 -0.223 0.093 0.443 177 D N -4.677 115.352 120.400 -0.620 0.000 2.363 177 D HA -0.030 4.120 4.640 -0.816 0.000 0.226 177 D C -0.737 175.125 176.300 -0.730 0.000 1.020 177 D CA 0.950 54.403 54.000 -0.912 0.000 0.892 177 D CB 0.177 40.097 40.800 -1.466 0.000 0.900 177 D HN -0.586 7.483 8.370 -0.501 0.000 0.531 178 H N -4.814 114.144 119.070 -0.187 0.000 2.741 178 H HA -0.359 4.314 4.556 0.088 -0.064 0.305 178 H C -0.932 174.597 175.328 0.334 0.000 1.169 178 H CA 0.879 56.961 56.048 0.057 0.000 1.144 178 H CB -3.335 26.467 29.762 0.066 0.000 1.397 178 H HN -0.334 7.391 8.280 -0.581 0.207 0.409 179 F N -5.190 114.886 119.950 0.209 0.000 2.695 179 F HA 0.114 4.888 4.527 0.411 0.000 0.303 179 F C -0.479 175.617 175.800 0.494 0.000 1.091 179 F CA -1.718 56.486 58.000 0.340 0.000 1.300 179 F CB 0.219 39.317 39.000 0.163 0.000 1.071 179 F HN 0.042 8.462 8.300 0.217 0.010 0.578 180 L N -1.006 120.485 121.223 0.448 0.000 2.350 180 L HA 0.014 4.386 4.340 0.052 0.000 0.275 180 L C -1.305 175.608 176.870 0.071 0.000 1.099 180 L CA -0.280 54.649 54.840 0.149 0.000 0.808 180 L CB 1.666 43.736 42.059 0.018 0.000 1.149 180 L HN -0.684 7.769 8.230 0.372 0.000 0.442 181 F N 2.263 121.974 119.950 -0.398 0.000 2.561 181 F HA 0.320 4.632 4.527 -0.357 0.000 0.321 181 F C -1.381 174.324 175.800 -0.159 0.000 1.065 181 F CA -1.794 55.886 58.000 -0.533 0.000 0.934 181 F CB 1.877 40.066 39.000 -1.353 0.000 1.215 181 F HN -0.296 7.545 8.300 -0.764 0.000 0.471 182 Q N -0.451 119.385 119.800 0.059 0.000 2.306 182 Q HA 0.111 4.461 4.340 0.017 0.000 0.269 182 Q C -0.896 175.036 176.000 -0.115 0.000 1.053 182 Q CA -1.668 54.138 55.803 0.006 0.000 0.879 182 Q CB 2.198 30.903 28.738 -0.055 0.000 1.344 182 Q HN 0.172 8.494 8.270 0.087 0.000 0.464 183 K N 0.698 120.763 120.400 -0.559 0.000 2.453 183 K HA -0.050 2.547 4.320 -2.872 0.000 0.280 183 K C -2.151 174.016 176.600 -0.721 0.000 1.045 183 K CA -0.645 54.739 56.287 -1.505 0.000 1.059 183 K CB 0.051 31.696 32.500 -1.426 0.000 0.901 183 K HN 0.158 8.176 8.250 -0.386 0.000 0.475 184 P HA 0.105 4.410 4.420 -0.193 0.000 0.271 184 P C -1.402 175.758 177.300 -0.232 0.000 1.218 184 P CA -0.302 62.637 63.100 -0.269 0.000 0.780 184 P CB 1.368 32.981 31.700 -0.144 0.000 0.901 185 T N -3.659 110.800 114.554 -0.159 0.000 3.058 185 T HA 0.051 4.317 4.350 -0.139 0.000 0.278 185 T C 0.517 175.126 174.700 -0.152 0.000 0.974 185 T CA -0.768 61.246 62.100 -0.144 0.000 0.893 185 T CB 0.719 69.505 68.868 -0.136 0.000 1.138 185 T HN -0.271 7.890 8.240 -0.133 0.000 0.529 186 G N 2.016 110.737 108.800 -0.132 0.000 2.491 186 G HA2 -0.087 3.718 3.960 -0.258 0.000 0.238 186 G HA3 -0.087 3.816 3.960 -0.095 0.000 0.238 186 G C 0.542 175.376 174.900 -0.110 0.000 1.277 186 G CA -0.828 44.176 45.100 -0.159 0.000 0.851 186 G HN -0.354 7.873 8.290 -0.104 0.000 0.573 187 H N 2.920 121.996 119.070 0.010 0.000 2.353 187 H HA -0.382 4.183 4.556 0.015 0.000 0.298 187 H C 2.400 177.741 175.328 0.020 0.000 1.103 187 H CA 3.052 59.111 56.048 0.017 0.000 1.293 187 H CB -0.102 29.676 29.762 0.027 0.000 1.372 187 H HN 0.448 8.503 8.280 -0.375 0.000 0.501 188 L N -0.165 121.138 121.223 0.133 0.000 1.989 188 L HA -0.261 4.133 4.340 0.090 0.000 0.211 188 L C 2.014 178.923 176.870 0.066 0.000 1.071 188 L CA 3.312 58.204 54.840 0.086 0.000 0.749 188 L CB -0.532 41.563 42.059 0.060 0.000 0.890 188 L HN -0.006 8.284 8.230 0.116 0.009 0.431 189 M N -3.280 116.349 119.600 0.048 0.000 2.254 189 M HA -0.225 4.288 4.480 0.055 0.000 0.265 189 M C 2.733 179.060 176.300 0.045 0.000 1.066 189 M CA 2.253 57.579 55.300 0.043 0.000 1.123 189 M CB -0.871 31.742 32.600 0.022 0.000 1.388 189 M HN -0.665 7.647 8.290 0.037 0.000 0.425 190 V N 0.967 120.904 119.914 0.037 0.000 2.255 190 V HA -0.571 3.566 4.120 0.028 0.000 0.243 190 V C 2.194 178.327 176.094 0.065 0.000 1.038 190 V CA 4.658 66.982 62.300 0.041 0.000 1.008 190 V CB -0.199 31.646 31.823 0.037 0.000 0.645 190 V HN 0.204 8.415 8.190 0.035 0.000 0.449 191 N N -1.472 117.277 118.700 0.083 0.000 2.364 191 N HA -0.241 4.541 4.740 0.071 0.000 0.183 191 N C 1.287 176.835 175.510 0.064 0.000 1.022 191 N CA 2.461 55.556 53.050 0.075 0.000 0.883 191 N CB -0.330 38.206 38.487 0.082 0.000 0.965 191 N HN 0.022 8.461 8.380 0.100 0.000 0.438 192 S N -3.072 112.667 115.700 0.066 0.000 2.631 192 S HA 0.012 4.518 4.470 0.059 0.000 0.217 192 S C -0.375 174.271 174.600 0.077 0.000 0.958 192 S CA -0.056 58.184 58.200 0.066 0.000 0.920 192 S CB 0.441 63.680 63.200 0.065 0.000 0.776 192 S HN -0.744 7.577 8.310 0.068 0.030 0.517 193 A N 0.750 123.616 122.820 0.076 0.000 2.783 193 A HA -0.417 4.005 4.320 0.082 -0.053 0.292 193 A C -0.311 177.337 177.584 0.107 0.000 1.495 193 A CA 1.114 53.203 52.037 0.086 0.000 0.787 193 A CB -2.637 16.412 19.000 0.082 0.000 1.017 193 A HN 0.184 8.200 8.150 0.071 0.176 0.516 194 S N -3.079 112.686 115.700 0.109 0.000 2.593 194 S HA -0.029 4.647 4.470 0.146 -0.118 0.217 194 S C 0.378 175.090 174.600 0.187 0.000 0.966 194 S CA 1.741 60.024 58.200 0.137 0.000 0.914 194 S CB 0.341 63.611 63.200 0.116 0.000 0.776 194 S HN -0.223 8.128 8.310 0.094 0.015 0.523 195 V N -5.149 114.867 119.914 0.170 0.000 3.121 195 V HA 0.272 4.629 4.120 0.394 0.000 0.344 195 V C -1.529 174.733 176.094 0.280 0.000 1.390 195 V CA -2.567 59.879 62.300 0.243 0.000 1.177 195 V CB -0.552 31.297 31.823 0.044 0.000 1.163 195 V HN -0.721 7.493 8.190 0.129 0.054 0.484 196 R N 2.376 123.007 120.500 0.218 0.000 2.590 196 R HA -0.194 4.243 4.340 0.162 0.000 0.274 196 R C -0.346 176.074 176.300 0.201 0.000 1.061 196 R CA 1.370 57.578 56.100 0.180 0.000 1.081 196 R CB 0.337 30.716 30.300 0.132 0.000 0.984 196 R HN -0.528 7.802 8.270 0.195 0.056 0.448 197 D N -1.139 119.362 120.400 0.168 0.000 2.911 197 D HA -0.427 4.283 4.640 0.118 0.000 0.227 197 D C -0.809 175.583 176.300 0.153 0.000 1.164 197 D CA 1.163 55.243 54.000 0.133 0.000 0.782 197 D CB -1.820 39.030 40.800 0.084 0.000 1.094 197 D HN 0.463 8.924 8.370 0.152 0.000 0.425 198 W N 1.258 122.589 121.300 0.051 0.000 2.295 198 W HA -0.108 4.592 4.660 0.067 0.000 0.335 198 W C -1.868 174.671 176.519 0.034 0.000 1.351 198 W CA 0.251 57.627 57.345 0.051 0.000 1.273 198 W CB 0.107 29.595 29.460 0.046 0.000 1.214 198 W HN -0.624 7.778 8.180 0.414 0.026 0.563 199 P HA 0.245 3.705 4.420 -1.600 0.000 0.279 199 P C -1.818 175.221 177.300 -0.435 0.000 1.819 199 P CA -1.367 61.188 63.100 -0.907 0.000 1.258 199 P CB 0.678 31.881 31.700 -0.828 0.000 1.656 200 D N 2.111 122.384 120.400 -0.211 0.000 2.472 200 D HA -0.277 4.309 4.640 -0.091 0.000 0.248 200 D C 0.379 176.620 176.300 -0.098 0.000 1.174 200 D CA 1.536 55.472 54.000 -0.106 0.000 0.883 200 D CB 0.861 41.639 40.800 -0.037 0.000 1.149 200 D HN -0.187 8.094 8.370 -0.148 0.000 0.488 201 A N 2.116 124.907 122.820 -0.048 0.000 2.887 201 A HA -0.384 4.362 4.320 0.055 -0.392 0.257 201 A C -1.481 176.115 177.584 0.019 0.000 1.372 201 A CA 1.426 53.469 52.037 0.010 0.000 0.879 201 A CB -1.053 17.952 19.000 0.008 0.000 1.082 201 A HN 0.400 8.528 8.150 -0.036 0.000 0.703 202 R N -2.244 118.217 120.500 -0.065 0.000 2.540 202 R HA 0.515 5.108 4.340 0.104 -0.190 0.287 202 R C -0.158 176.228 176.300 0.144 0.000 0.980 202 R CA -1.980 54.122 56.100 0.003 0.000 0.966 202 R CB 2.008 32.111 30.300 -0.328 0.000 1.106 202 R HN -0.670 7.466 8.270 -0.148 0.045 0.480 203 G N -0.692 108.354 108.800 0.411 0.000 2.576 203 G HA2 0.662 4.737 3.960 0.051 0.000 0.290 203 G HA3 0.662 4.836 3.960 0.356 0.000 0.290 203 G C -3.021 172.250 174.900 0.619 0.000 1.442 203 G CA 0.301 45.606 45.100 0.341 0.000 0.792 203 G HN -0.238 8.382 8.290 0.550 0.000 0.491 204 I N -0.597 120.238 120.570 0.442 0.000 2.418 204 I HA 0.621 5.457 4.170 0.816 -0.176 0.287 204 I C -1.776 174.756 176.117 0.692 0.000 1.008 204 I CA -0.925 60.757 61.300 0.636 0.000 1.104 204 I CB 3.495 41.779 38.000 0.474 0.000 1.264 204 I HN 0.335 8.648 8.210 0.171 0.000 0.438 205 W N 9.849 131.461 121.300 0.519 0.000 2.627 205 W HA 0.788 5.859 4.660 0.360 -0.195 0.339 205 W C -2.078 174.602 176.519 0.268 0.000 1.058 205 W CA -1.767 55.803 57.345 0.376 0.000 1.223 205 W CB 3.790 33.421 29.460 0.285 0.000 1.389 205 W HN 1.008 9.677 8.180 0.814 0.000 0.541 206 H N 0.854 119.554 119.070 -0.616 0.000 3.037 206 H HA 0.741 5.183 4.556 -0.442 -0.151 0.336 206 H C -1.642 172.979 175.328 -1.179 0.000 1.323 206 H CA -1.384 54.244 56.048 -0.700 0.000 1.159 206 H CB 2.635 32.200 29.762 -0.327 0.000 1.882 206 H HN -0.015 7.512 8.280 -1.255 0.000 0.535 207 N N -1.208 117.182 118.700 -0.516 0.000 2.381 207 N HA 0.022 4.620 4.740 -0.491 -0.153 0.254 207 N C 1.563 177.102 175.510 0.048 0.000 1.264 207 N CA -1.381 51.518 53.050 -0.251 0.000 0.942 207 N CB 0.628 39.187 38.487 0.120 0.000 1.190 207 N HN -0.232 8.078 8.380 -0.118 0.000 0.495 208 N N -0.231 118.487 118.700 0.030 0.000 2.223 208 N HA -0.186 4.616 4.740 0.104 0.000 0.185 208 N C 0.972 176.575 175.510 0.155 0.000 1.016 208 N CA 2.550 55.656 53.050 0.093 0.000 0.863 208 N CB -0.360 38.156 38.487 0.049 0.000 0.983 208 N HN 0.175 8.559 8.380 0.006 0.000 0.429 209 E N -1.814 118.474 120.200 0.146 0.000 2.347 209 E HA -0.101 4.316 4.350 0.112 0.000 0.196 209 E C -0.626 176.079 176.600 0.175 0.000 1.008 209 E CA 0.583 57.065 56.400 0.137 0.000 0.852 209 E CB 0.127 29.898 29.700 0.119 0.000 0.783 209 E HN -0.064 8.378 8.360 0.136 0.000 0.505 210 K N -4.141 116.414 120.400 0.258 0.000 3.181 210 K HA -0.247 4.311 4.320 0.397 0.000 0.269 210 K C -1.126 175.672 176.600 0.329 0.000 1.097 210 K CA 0.879 57.368 56.287 0.336 0.000 0.783 210 K CB -2.461 30.163 32.500 0.208 0.000 1.267 210 K HN -0.457 7.957 8.250 0.292 0.012 0.484 211 T N -8.348 106.372 114.554 0.278 0.000 3.043 211 T HA 0.150 4.771 4.350 0.246 -0.122 0.272 211 T C -0.911 173.999 174.700 0.349 0.000 0.990 211 T CA -1.173 61.085 62.100 0.264 0.000 0.897 211 T CB 2.659 71.655 68.868 0.213 0.000 1.111 211 T HN -0.233 8.448 8.240 0.278 -0.274 0.529 212 F N 3.790 123.816 119.950 0.127 0.000 2.579 212 F HA 0.619 5.392 4.527 0.123 -0.172 0.325 212 F C -3.040 172.835 175.800 0.124 0.000 1.162 212 F CA -1.013 57.077 58.000 0.150 0.000 0.946 212 F CB 3.730 42.876 39.000 0.244 0.000 1.211 212 F HN -0.657 8.071 8.300 0.357 -0.214 0.447 213 L N 7.134 128.156 121.223 -0.334 0.000 2.365 213 L HA 0.768 5.125 4.340 -0.195 -0.134 0.273 213 L C -2.714 173.972 176.870 -0.306 0.000 1.000 213 L CA -1.557 53.070 54.840 -0.355 0.000 0.819 213 L CB 4.799 46.448 42.059 -0.683 0.000 1.284 213 L HN 0.932 8.865 8.230 -0.495 0.000 0.418 214 I N 4.601 125.200 120.570 0.049 0.000 2.447 214 I HA 0.685 4.965 4.170 -0.118 -0.180 0.287 214 I C -1.539 174.806 176.117 0.379 0.000 1.023 214 I CA -2.209 59.147 61.300 0.093 0.000 1.083 214 I CB 2.540 40.654 38.000 0.189 0.000 1.245 214 I HN 0.927 9.184 8.210 0.239 0.096 0.434 215 W N 6.988 128.325 121.300 0.061 0.000 2.478 215 W HA 0.600 5.596 4.660 0.282 -0.167 0.318 215 W C -0.723 175.798 176.519 0.005 0.000 1.062 215 W CA -3.206 54.180 57.345 0.069 0.000 1.210 215 W CB 1.765 31.099 29.460 -0.209 0.000 1.325 215 W HN 0.474 8.732 8.180 0.129 0.000 0.496 216 I N 3.271 124.037 120.570 0.327 0.000 2.354 216 I HA 0.495 4.994 4.170 0.150 -0.239 0.292 216 I C -0.098 176.095 176.117 0.127 0.000 0.989 216 I CA -1.006 60.413 61.300 0.197 0.000 1.188 216 I CB 1.331 39.448 38.000 0.194 0.000 1.342 216 I HN 0.348 8.834 8.210 0.461 0.000 0.457 217 N N 2.816 121.580 118.700 0.106 0.000 2.776 217 N HA -0.435 4.491 4.740 0.173 -0.082 0.250 217 N C -0.313 175.233 175.510 0.059 0.000 1.112 217 N CA 1.586 54.704 53.050 0.114 0.000 0.733 217 N CB -1.762 36.785 38.487 0.101 0.000 1.097 217 N HN 0.725 9.070 8.380 0.132 0.115 0.558 218 E N -0.245 119.900 120.200 -0.091 0.000 2.044 218 E HA -0.275 4.182 4.350 0.178 0.000 0.209 218 E C 0.340 177.005 176.600 0.107 0.000 0.917 218 E CA 2.741 59.096 56.400 -0.075 0.000 0.963 218 E CB 0.321 29.674 29.700 -0.577 0.000 0.919 218 E HN -0.006 8.222 8.360 -0.156 0.038 0.528 219 E N -2.794 117.447 120.200 0.068 0.000 2.127 219 E HA -0.088 4.314 4.350 0.087 0.000 0.191 219 E C -0.316 176.307 176.600 0.038 0.000 0.964 219 E CA 1.245 57.688 56.400 0.072 0.000 0.832 219 E CB 1.071 30.812 29.700 0.068 0.000 0.790 219 E HN 0.040 8.431 8.360 0.051 0.000 0.465 220 D N -4.011 116.409 120.400 0.034 0.000 2.392 220 D HA 0.344 4.954 4.640 -0.049 0.000 0.246 220 D C 0.623 176.975 176.300 0.086 0.000 1.013 220 D CA -1.099 52.904 54.000 0.004 0.000 0.993 220 D CB 2.867 43.660 40.800 -0.012 0.000 1.219 220 D HN -0.379 8.020 8.370 0.048 0.000 0.538 221 H N -0.497 118.640 119.070 0.112 0.000 2.290 221 H HA -0.212 4.560 4.556 0.084 -0.165 0.298 221 H C 0.845 176.198 175.328 0.042 0.000 1.087 221 H CA 2.834 58.932 56.048 0.084 0.000 1.291 221 H CB 1.133 30.950 29.762 0.092 0.000 1.369 221 H HN 0.374 8.638 8.280 -0.028 0.000 0.492 222 M N -2.511 117.174 119.600 0.142 0.000 2.151 222 M HA 0.562 5.250 4.480 0.058 -0.174 0.290 222 M C -2.473 173.805 176.300 -0.038 0.000 0.965 222 M CA -1.329 53.993 55.300 0.037 0.000 0.930 222 M CB 3.071 35.665 32.600 -0.010 0.000 1.560 222 M HN -0.429 7.939 8.290 0.130 0.000 0.438 223 R N 7.947 128.430 120.500 -0.028 0.000 2.215 223 R HA 0.529 4.943 4.340 -0.115 -0.143 0.336 223 R C -2.100 174.069 176.300 -0.218 0.000 0.996 223 R CA -1.655 54.380 56.100 -0.108 0.000 0.847 223 R CB 1.150 31.408 30.300 -0.070 0.000 1.127 223 R HN 0.647 8.936 8.270 0.032 0.000 0.465 224 V N 8.423 128.191 119.914 -0.244 0.000 2.370 224 V HA 0.392 4.387 4.120 -0.441 -0.140 0.279 224 V C -1.637 174.306 176.094 -0.252 0.000 1.029 224 V CA -0.592 61.499 62.300 -0.347 0.000 0.870 224 V CB 1.688 33.288 31.823 -0.371 0.000 0.984 224 V HN 0.143 8.212 8.190 -0.203 0.000 0.451 225 I N 7.555 127.899 120.570 -0.377 0.000 2.447 225 I HA 0.465 4.791 4.170 -0.016 -0.166 0.287 225 I C -1.656 174.407 176.117 -0.090 0.000 1.023 225 I CA -1.276 59.916 61.300 -0.182 0.000 1.083 225 I CB 3.191 41.021 38.000 -0.283 0.000 1.245 225 I HN 0.822 8.712 8.210 -0.534 0.000 0.434 226 S N 7.124 122.968 115.700 0.239 0.000 2.489 226 S HA 0.925 5.837 4.470 0.424 -0.188 0.291 226 S C -1.167 173.562 174.600 0.214 0.000 1.151 226 S CA -2.018 56.411 58.200 0.381 0.000 1.082 226 S CB 1.356 64.921 63.200 0.609 0.000 1.019 226 S HN 0.167 8.686 8.310 0.349 0.000 0.492 227 M N 2.381 122.103 119.600 0.202 0.000 2.534 227 M HA 0.837 5.773 4.480 0.112 -0.388 0.280 227 M C -2.024 174.362 176.300 0.142 0.000 1.217 227 M CA -0.560 54.824 55.300 0.139 0.000 0.893 227 M CB 4.541 37.212 32.600 0.119 0.000 1.730 227 M HN 0.395 8.831 8.290 0.243 0.000 0.483 228 Q N -1.084 118.778 119.800 0.104 0.000 2.472 228 Q HA 0.416 4.816 4.340 0.100 0.000 0.281 228 Q C -1.867 174.173 176.000 0.067 0.000 0.997 228 Q CA -1.002 54.857 55.803 0.093 0.000 0.828 228 Q CB 5.439 34.233 28.738 0.094 0.000 1.443 228 Q HN 0.467 8.789 8.270 0.085 0.000 0.390 229 K N -0.462 119.974 120.400 0.060 0.000 2.219 229 K HA -0.133 4.302 4.320 0.039 -0.092 0.258 229 K C 0.833 177.473 176.600 0.066 0.000 1.008 229 K CA 0.243 56.561 56.287 0.050 0.000 0.928 229 K CB 0.287 32.813 32.500 0.045 0.000 0.983 229 K HN 0.250 8.537 8.250 0.063 0.000 0.484 230 G N -0.303 108.542 108.800 0.075 0.000 2.587 230 G HA2 -0.276 3.740 3.960 0.094 0.000 0.212 230 G HA3 -0.276 3.836 3.960 0.087 -0.100 0.212 230 G C -0.616 174.369 174.900 0.142 0.000 1.327 230 G CA -0.631 44.527 45.100 0.096 0.000 0.898 230 G HN 0.067 8.289 8.290 0.070 0.110 0.551 231 G N -2.728 106.173 108.800 0.167 0.000 3.596 231 G HA2 0.069 4.255 3.960 0.377 0.000 0.274 231 G HA3 0.069 4.240 3.960 0.351 0.000 0.274 231 G C -1.084 173.888 174.900 0.121 0.000 1.007 231 G CA -0.078 45.189 45.100 0.280 0.000 0.825 231 G HN -0.093 8.572 8.290 0.135 -0.294 0.508 232 N N 2.240 120.980 118.700 0.065 0.000 3.050 232 N HA 0.024 4.852 4.740 -0.061 -0.124 0.289 232 N C -0.132 175.384 175.510 0.011 0.000 1.209 232 N CA -1.497 51.553 53.050 0.000 0.000 1.154 232 N CB -1.122 37.380 38.487 0.024 0.000 1.444 232 N HN -0.105 8.325 8.380 0.083 0.000 0.529 233 V N 4.584 124.471 119.914 -0.045 0.000 2.913 233 V HA -0.351 3.812 4.120 0.072 0.000 0.260 233 V C 0.579 176.692 176.094 0.031 0.000 1.098 233 V CA 2.358 64.664 62.300 0.011 0.000 1.121 233 V CB 0.145 31.976 31.823 0.012 0.000 0.714 233 V HN -0.309 7.750 8.190 -0.155 0.038 0.487 234 K N -0.042 120.353 120.400 -0.007 0.000 2.062 234 K HA -0.287 4.108 4.320 0.125 0.000 0.205 234 K C 1.626 178.297 176.600 0.119 0.000 1.051 234 K CA 3.426 59.754 56.287 0.069 0.000 0.941 234 K CB -0.163 32.344 32.500 0.013 0.000 0.719 234 K HN -0.286 7.895 8.250 -0.072 0.026 0.440 235 A N -0.900 121.965 122.820 0.074 0.000 1.933 235 A HA -0.202 4.158 4.320 0.067 0.000 0.218 235 A C 2.127 179.779 177.584 0.114 0.000 1.175 235 A CA 2.921 55.004 52.037 0.077 0.000 0.628 235 A CB -0.778 18.256 19.000 0.057 0.000 0.814 235 A HN -0.450 7.998 8.150 0.046 -0.271 0.444 236 V N -0.993 119.003 119.914 0.138 0.000 2.427 236 V HA -0.412 3.815 4.120 0.178 0.000 0.248 236 V C 2.185 178.437 176.094 0.264 0.000 1.051 236 V CA 3.858 66.265 62.300 0.179 0.000 1.048 236 V CB -0.039 31.872 31.823 0.146 0.000 0.666 236 V HN -0.612 7.464 8.190 0.118 0.185 0.456 237 F N 0.367 120.359 119.950 0.070 0.000 2.206 237 F HA -0.309 4.270 4.527 0.086 0.000 0.298 237 F C 1.130 177.040 175.800 0.183 0.000 1.090 237 F CA 2.642 60.701 58.000 0.098 0.000 1.323 237 F CB 0.093 39.109 39.000 0.027 0.000 1.028 237 F HN -0.054 8.444 8.300 0.330 0.000 0.492 238 E N 0.998 121.246 120.200 0.080 0.000 2.077 238 E HA -0.439 3.824 4.350 -0.146 0.000 0.193 238 E C 2.411 178.972 176.600 -0.066 0.000 0.989 238 E CA 3.472 59.843 56.400 -0.049 0.000 0.800 238 E CB -0.253 29.451 29.700 0.007 0.000 0.746 238 E HN -0.251 8.115 8.360 0.160 0.089 0.452 239 R N -1.373 119.130 120.500 0.005 0.000 2.075 239 R HA -0.256 3.997 4.340 -0.145 0.000 0.232 239 R C 2.023 178.272 176.300 -0.085 0.000 1.126 239 R CA 3.041 59.099 56.100 -0.070 0.000 0.963 239 R CB -0.243 30.055 30.300 -0.003 0.000 0.858 239 R HN -0.613 7.694 8.270 0.063 0.000 0.435 240 F N 0.592 120.531 119.950 -0.019 0.000 2.043 240 F HA -0.404 4.347 4.527 0.373 0.000 0.297 240 F C 1.574 177.350 175.800 -0.039 0.000 1.121 240 F CA 3.785 61.853 58.000 0.113 0.000 1.199 240 F CB -0.269 38.824 39.000 0.154 0.000 0.968 240 F HN -0.388 8.044 8.300 0.333 0.068 0.478 241 G N -3.790 104.932 108.800 -0.130 0.000 2.403 241 G HA2 -0.364 3.425 3.960 -0.286 0.000 0.216 241 G HA3 -0.364 3.415 3.960 -0.301 0.000 0.216 241 G C 0.580 175.347 174.900 -0.222 0.000 1.154 241 G CA 1.436 46.382 45.100 -0.257 0.000 0.784 241 G HN 0.034 8.259 8.290 -0.108 0.000 0.538 242 R N 2.252 122.624 120.500 -0.213 0.000 2.081 242 R HA -0.341 3.900 4.340 -0.165 0.000 0.235 242 R C 2.109 178.264 176.300 -0.242 0.000 1.131 242 R CA 3.114 59.094 56.100 -0.200 0.000 0.960 242 R CB -0.160 30.029 30.300 -0.186 0.000 0.856 242 R HN -0.377 7.770 8.270 -0.204 0.000 0.436 243 G N -1.651 106.924 108.800 -0.374 0.000 2.402 243 G HA2 -0.257 3.454 3.960 -0.415 0.000 0.216 243 G HA3 -0.257 3.206 3.960 -0.828 0.000 0.216 243 G C 1.142 175.971 174.900 -0.119 0.000 1.162 243 G CA 1.727 46.565 45.100 -0.436 0.000 0.777 243 G HN 0.146 8.184 8.290 -0.421 0.000 0.539 244 L N 2.139 123.287 121.223 -0.125 0.000 2.017 244 L HA -0.363 3.976 4.340 -0.002 0.000 0.208 244 L C 2.428 179.309 176.870 0.018 0.000 1.073 244 L CA 2.961 57.757 54.840 -0.072 0.000 0.745 244 L CB -0.176 41.718 42.059 -0.275 0.000 0.894 244 L HN -0.295 7.807 8.230 -0.213 0.000 0.432 245 N N -1.981 116.682 118.700 -0.062 0.000 2.166 245 N HA -0.373 4.336 4.740 -0.052 0.000 0.186 245 N C 2.023 177.473 175.510 -0.099 0.000 1.019 245 N CA 2.933 55.941 53.050 -0.071 0.000 0.856 245 N CB -0.680 37.754 38.487 -0.088 0.000 0.993 245 N HN -0.404 7.912 8.380 -0.107 0.000 0.426 246 A N 0.749 123.506 122.820 -0.105 0.000 1.897 246 A HA -0.145 4.111 4.320 -0.107 0.000 0.215 246 A C 1.802 179.318 177.584 -0.114 0.000 1.181 246 A CA 2.727 54.697 52.037 -0.111 0.000 0.620 246 A CB -0.274 18.653 19.000 -0.122 0.000 0.821 246 A HN -0.576 7.489 8.150 -0.114 0.017 0.443 247 I N -1.367 119.147 120.570 -0.093 0.000 2.226 247 I HA -0.540 3.552 4.170 -0.131 0.000 0.245 247 I C 1.788 177.811 176.117 -0.157 0.000 1.100 247 I CA 3.924 65.165 61.300 -0.099 0.000 1.374 247 I CB -0.088 37.904 38.000 -0.013 0.000 1.057 247 I HN -0.220 7.950 8.210 -0.068 0.000 0.413 248 A N -0.651 122.034 122.820 -0.226 0.000 1.902 248 A HA -0.311 3.645 4.320 -0.607 0.000 0.217 248 A C 1.678 179.097 177.584 -0.275 0.000 1.181 248 A CA 2.841 54.609 52.037 -0.449 0.000 0.623 248 A CB -0.855 17.802 19.000 -0.572 0.000 0.818 248 A HN -0.386 7.672 8.150 -0.154 0.000 0.443 249 E N -1.983 118.103 120.200 -0.190 0.000 2.077 249 E HA -0.389 3.873 4.350 -0.145 0.000 0.193 249 E C 2.815 179.337 176.600 -0.130 0.000 0.989 249 E CA 2.806 59.120 56.400 -0.144 0.000 0.800 249 E CB -0.023 29.609 29.700 -0.113 0.000 0.746 249 E HN -0.532 7.637 8.360 -0.171 0.089 0.452 250 Q N -2.137 117.585 119.800 -0.129 0.000 2.084 250 Q HA -0.291 3.990 4.340 -0.099 0.000 0.202 250 Q C 2.935 178.861 176.000 -0.123 0.000 0.978 250 Q CA 2.341 58.075 55.803 -0.116 0.000 0.844 250 Q CB -0.427 28.240 28.738 -0.119 0.000 0.898 250 Q HN -0.564 7.626 8.270 -0.134 0.000 0.426 251 M N -0.202 119.305 119.600 -0.155 0.000 2.213 251 M HA -0.381 4.020 4.480 -0.132 0.000 0.263 251 M C 2.024 178.245 176.300 -0.133 0.000 1.062 251 M CA 4.122 59.329 55.300 -0.154 0.000 1.105 251 M CB -0.232 32.241 32.600 -0.212 0.000 1.385 251 M HN -0.385 7.690 8.290 -0.178 0.108 0.417 252 K N -1.784 118.535 120.400 -0.136 0.000 2.288 252 K HA -0.142 4.224 4.320 -0.103 -0.108 0.201 252 K C 2.653 179.204 176.600 -0.082 0.000 1.048 252 K CA 2.406 58.628 56.287 -0.107 0.000 0.956 252 K CB -0.408 32.027 32.500 -0.109 0.000 0.746 252 K HN -0.359 7.784 8.250 -0.150 0.018 0.461 253 K N -1.009 119.343 120.400 -0.080 0.000 2.211 253 K HA -0.230 4.055 4.320 -0.058 0.000 0.204 253 K C 1.010 177.574 176.600 -0.059 0.000 1.047 253 K CA 2.237 58.486 56.287 -0.065 0.000 0.935 253 K CB -0.361 32.101 32.500 -0.064 0.000 0.728 253 K HN -0.531 7.650 8.250 -0.089 0.016 0.452 254 N N -2.923 115.736 118.700 -0.067 0.000 2.275 254 N HA 0.136 4.844 4.740 -0.052 0.000 0.236 254 N C -0.428 175.048 175.510 -0.056 0.000 1.154 254 N CA -1.199 51.815 53.050 -0.060 0.000 0.866 254 N CB 0.089 38.536 38.487 -0.068 0.000 1.093 254 N HN -0.643 7.513 8.380 -0.078 0.177 0.515 255 G N -0.256 108.511 108.800 -0.055 0.000 2.258 255 G HA2 -0.426 3.507 3.960 -0.046 0.000 0.274 255 G HA3 -0.426 3.512 3.960 -0.038 0.000 0.274 255 G C -0.128 174.744 174.900 -0.046 0.000 1.021 255 G CA 1.137 46.210 45.100 -0.046 0.000 0.798 255 G HN -0.511 7.583 8.290 -0.058 0.161 0.507 256 R N -1.031 119.429 120.500 -0.065 0.000 2.832 256 R HA 0.363 4.678 4.340 -0.041 0.000 0.271 256 R C -2.289 173.954 176.300 -0.094 0.000 0.996 256 R CA -2.055 54.007 56.100 -0.064 0.000 0.977 256 R CB 2.761 33.020 30.300 -0.070 0.000 1.168 256 R HN -0.519 7.682 8.270 -0.078 0.022 0.482 257 E N -2.062 118.099 120.200 -0.064 0.000 2.375 257 E HA 0.185 4.395 4.350 -0.233 0.000 0.280 257 E C -2.250 174.380 176.600 0.049 0.000 0.972 257 E CA -1.383 54.961 56.400 -0.095 0.000 0.782 257 E CB 2.254 31.934 29.700 -0.033 0.000 1.229 257 E HN 0.213 8.561 8.360 -0.020 0.000 0.439 258 Y N 0.933 121.287 120.300 0.090 0.000 2.702 258 Y HA 0.085 4.923 4.550 0.132 -0.209 0.336 258 Y C 0.953 177.004 175.900 0.252 0.000 1.235 258 Y CA -0.493 57.705 58.100 0.163 0.000 1.492 258 Y CB 0.345 38.917 38.460 0.186 0.000 1.308 258 Y HN 0.385 8.511 8.280 -0.255 0.000 0.589 259 M N 1.151 121.009 119.600 0.431 0.000 2.268 259 M HA -0.176 4.477 4.480 0.288 0.000 0.349 259 M C -0.822 175.763 176.300 0.475 0.000 1.485 259 M CA 1.207 56.719 55.300 0.353 0.000 1.094 259 M CB 0.251 33.015 32.600 0.273 0.000 1.843 259 M HN -0.085 8.449 8.290 0.406 0.000 0.460 260 W N 6.758 128.132 121.300 0.123 0.000 3.800 260 W HA 0.365 5.185 4.660 -0.058 -0.195 0.299 260 W C -2.869 173.613 176.519 -0.062 0.000 1.231 260 W CA -0.250 57.084 57.345 -0.019 0.000 1.232 260 W CB 3.747 33.146 29.460 -0.101 0.000 1.291 260 W HN 0.238 8.628 8.180 0.350 0.000 0.514 261 N N 5.973 124.130 118.700 -0.905 0.000 2.405 261 N HA 0.318 4.548 4.740 -0.849 0.000 0.285 261 N C -0.790 173.814 175.510 -1.509 0.000 1.262 261 N CA -1.316 51.146 53.050 -0.980 0.000 0.773 261 N CB 1.931 40.156 38.487 -0.436 0.000 1.490 261 N HN 0.012 7.825 8.380 -0.945 0.000 0.486 262 Q N -0.617 118.558 119.800 -1.041 0.000 2.170 262 Q HA -0.355 3.457 4.340 -0.880 0.000 0.203 262 Q C 1.714 177.469 176.000 -0.408 0.000 0.976 262 Q CA 3.700 59.084 55.803 -0.698 0.000 0.858 262 Q CB 0.152 28.727 28.738 -0.271 0.000 0.907 262 Q HN 0.525 8.368 8.270 -0.712 0.000 0.433 263 R N -0.871 119.430 120.500 -0.332 0.000 2.075 263 R HA -0.146 4.141 4.340 -0.088 0.000 0.226 263 R C 2.109 178.362 176.300 -0.078 0.000 1.114 263 R CA 2.732 58.745 56.100 -0.145 0.000 0.972 263 R CB 0.245 30.487 30.300 -0.098 0.000 0.869 263 R HN -0.548 7.609 8.270 -0.363 -0.106 0.437 264 L N -5.204 115.862 121.223 -0.261 0.000 2.766 264 L HA 0.241 4.465 4.340 -0.193 0.000 0.242 264 L C -0.834 175.826 176.870 -0.349 0.000 1.136 264 L CA -0.933 53.741 54.840 -0.276 0.000 0.933 264 L CB 0.932 42.779 42.059 -0.354 0.000 1.241 264 L HN 0.113 8.483 8.230 -0.387 -0.372 0.522 265 G N -1.330 107.168 108.800 -0.503 0.000 2.574 265 G HA2 -0.489 3.050 3.960 -0.768 0.000 0.286 265 G HA3 -0.489 3.479 3.960 -0.205 -0.131 0.286 265 G C -0.995 173.629 174.900 -0.459 0.000 1.212 265 G CA 0.423 45.214 45.100 -0.515 0.000 0.979 265 G HN -0.348 7.575 8.290 -0.612 0.000 0.557 266 Y N 1.730 122.109 120.300 0.131 0.000 2.402 266 Y HA 0.014 4.874 4.550 0.266 -0.151 0.333 266 Y C 0.064 175.959 175.900 -0.009 0.000 1.076 266 Y CA 1.338 59.535 58.100 0.163 0.000 1.299 266 Y CB 0.004 38.569 38.460 0.174 0.000 1.197 266 Y HN -0.469 7.880 8.280 0.116 0.000 0.517 267 L N 1.542 122.864 121.223 0.166 0.000 2.326 267 L HA 0.110 4.369 4.340 -0.134 0.000 0.278 267 L C -0.910 176.060 176.870 0.168 0.000 1.092 267 L CA -0.220 54.648 54.840 0.047 0.000 0.810 267 L CB 0.855 42.953 42.059 0.064 0.000 1.153 267 L HN -0.255 8.131 8.230 0.260 0.000 0.439 268 C N -2.222 117.098 119.300 0.033 0.000 3.213 268 C HA 0.353 4.676 4.460 -0.228 0.000 0.319 268 C C -0.841 173.861 174.990 -0.480 0.000 1.386 268 C CA -3.141 55.759 59.018 -0.195 0.000 1.494 268 C CB 3.613 31.295 27.740 -0.097 0.000 1.905 268 C HN -0.103 8.123 8.230 -0.007 0.000 0.456 269 A N 0.178 122.458 122.820 -0.900 0.000 1.929 269 A HA -0.125 3.686 4.320 -0.847 0.000 0.216 269 A C -0.501 177.011 177.584 -0.120 0.000 1.176 269 A CA 2.585 54.197 52.037 -0.709 0.000 0.628 269 A CB -0.113 18.545 19.000 -0.569 0.000 0.816 269 A HN 0.893 8.544 8.150 -0.832 0.000 0.444 270 C N -3.194 116.069 119.300 -0.062 0.000 2.325 270 C HA 0.533 5.037 4.460 0.074 0.000 0.347 270 C C -1.294 173.783 174.990 0.146 0.000 1.263 270 C CA -3.291 55.758 59.018 0.052 0.000 1.806 270 C CB 1.996 29.747 27.740 0.019 0.000 2.405 270 C HN -0.187 7.973 8.230 -0.117 0.000 0.537 271 P HA -0.166 4.498 4.420 0.407 0.000 0.221 271 P C 0.544 178.038 177.300 0.324 0.000 1.145 271 P CA 1.959 65.260 63.100 0.335 0.000 0.795 271 P CB 0.182 32.085 31.700 0.339 0.000 0.775 272 S N -2.906 112.898 115.700 0.174 0.000 2.419 272 S HA -0.263 4.204 4.470 -0.004 0.000 0.233 272 S C 0.772 175.478 174.600 0.176 0.000 1.016 272 S CA 2.346 60.605 58.200 0.098 0.000 0.974 272 S CB -0.207 62.990 63.200 -0.004 0.000 0.786 272 S HN -0.521 7.816 8.310 0.117 0.042 0.492 273 N N -0.497 118.274 118.700 0.118 0.000 2.251 273 N HA 0.217 4.985 4.740 0.047 0.000 0.217 273 N C -1.044 174.483 175.510 0.029 0.000 1.124 273 N CA -0.551 52.532 53.050 0.055 0.000 0.843 273 N CB 0.621 39.118 38.487 0.017 0.000 1.024 273 N HN -0.542 7.863 8.380 0.112 0.042 0.501 274 L N -1.851 119.371 121.223 -0.003 0.000 2.479 274 L HA -0.010 4.427 4.340 -0.075 -0.142 0.248 274 L C 1.888 178.673 176.870 -0.141 0.000 1.205 274 L CA 1.084 55.851 54.840 -0.121 0.000 0.817 274 L CB 0.736 42.642 42.059 -0.255 0.000 1.162 274 L HN -0.994 7.205 8.230 0.049 0.060 0.486 275 G N -1.169 107.551 108.800 -0.133 0.000 4.163 275 G HA2 -0.478 3.537 3.960 -0.093 0.000 0.300 275 G HA3 -0.478 3.423 3.960 -0.097 0.000 0.300 275 G C 0.517 175.513 174.900 0.160 0.000 1.488 275 G CA 1.656 46.722 45.100 -0.057 0.000 1.052 275 G HN 0.357 8.556 8.290 -0.152 0.000 0.687 276 T N 1.779 116.449 114.554 0.194 0.000 3.015 276 T HA 0.177 4.778 4.350 0.419 0.000 0.250 276 T C 1.336 176.145 174.700 0.183 0.000 1.057 276 T CA -0.855 61.419 62.100 0.289 0.000 1.066 276 T CB 1.826 70.881 68.868 0.311 0.000 0.959 276 T HN -0.144 8.181 8.240 0.141 0.000 0.488 277 G N 2.606 111.453 108.800 0.077 0.000 2.402 277 G HA2 -0.441 3.542 3.960 -0.006 0.000 0.300 277 G HA3 -0.441 3.566 3.960 0.034 -0.027 0.300 277 G C -1.545 173.353 174.900 -0.004 0.000 0.987 277 G CA 1.000 46.112 45.100 0.021 0.000 0.881 277 G HN -0.410 7.913 8.290 0.055 0.000 0.512 278 L N -0.967 120.227 121.223 -0.049 0.000 2.276 278 L HA 0.498 5.059 4.340 0.008 -0.216 0.286 278 L C -1.861 174.892 176.870 -0.195 0.000 1.061 278 L CA -0.824 53.974 54.840 -0.070 0.000 0.807 278 L CB 1.504 43.553 42.059 -0.017 0.000 1.177 278 L HN -0.722 7.447 8.230 -0.084 0.010 0.429 279 R N 6.766 127.181 120.500 -0.140 0.000 2.312 279 R HA 0.254 4.487 4.340 -0.178 0.000 0.310 279 R C -1.454 174.762 176.300 -0.140 0.000 1.064 279 R CA -1.765 54.248 56.100 -0.145 0.000 0.983 279 R CB 1.650 31.891 30.300 -0.098 0.000 1.139 279 R HN 0.470 8.681 8.270 -0.100 0.000 0.536 280 A N 7.770 130.502 122.820 -0.146 0.000 2.274 280 A HA 0.604 4.995 4.320 -0.131 -0.149 0.309 280 A C -2.015 175.537 177.584 -0.052 0.000 1.226 280 A CA -1.398 50.569 52.037 -0.116 0.000 0.853 280 A CB 2.011 20.938 19.000 -0.123 0.000 1.146 280 A HN 0.695 9.066 8.150 -0.161 -0.318 0.518 281 S N 2.333 118.021 115.700 -0.020 0.000 2.564 281 S HA 1.117 5.813 4.470 0.017 -0.216 0.274 281 S C -1.589 173.041 174.600 0.050 0.000 1.124 281 S CA -1.725 56.486 58.200 0.018 0.000 0.869 281 S CB 2.872 66.088 63.200 0.026 0.000 1.105 281 S HN 0.572 8.867 8.310 -0.024 0.000 0.472 282 V N -2.384 117.571 119.914 0.068 0.000 2.960 282 V HA 0.872 5.202 4.120 0.078 -0.164 0.315 282 V C -1.953 174.257 176.094 0.192 0.000 1.087 282 V CA -3.596 58.753 62.300 0.082 0.000 0.982 282 V CB 3.562 35.377 31.823 -0.013 0.000 1.039 282 V HN 0.367 8.593 8.190 0.059 0.000 0.437 283 H N 2.270 121.344 119.070 0.007 0.000 2.552 283 H HA 0.535 5.283 4.556 0.011 -0.186 0.311 283 H C -1.140 174.187 175.328 -0.002 0.000 1.071 283 H CA -1.504 54.546 56.048 0.005 0.000 1.307 283 H CB 1.449 31.211 29.762 -0.001 0.000 1.416 283 H HN 0.040 8.429 8.280 0.182 0.000 0.464 284 V N 3.800 123.772 119.914 0.096 0.000 2.686 284 V HA 0.590 4.947 4.120 0.058 -0.203 0.306 284 V C -2.518 173.617 176.094 0.068 0.000 1.065 284 V CA -3.180 59.153 62.300 0.056 0.000 0.894 284 V CB 3.788 35.599 31.823 -0.020 0.000 1.004 284 V HN 0.561 8.805 8.190 0.090 0.000 0.424 285 Q N 8.924 128.747 119.800 0.038 0.000 2.288 285 Q HA 0.180 4.664 4.340 -0.095 -0.201 0.258 285 Q C -1.311 174.674 176.000 -0.025 0.000 0.957 285 Q CA -0.226 55.536 55.803 -0.067 0.000 0.919 285 Q CB 1.238 29.868 28.738 -0.180 0.000 1.185 285 Q HN 0.169 8.474 8.270 0.057 0.000 0.408 286 L N 5.585 126.764 121.223 -0.073 0.000 2.551 286 L HA 0.388 4.819 4.340 -0.013 -0.098 0.248 286 L C -0.415 176.404 176.870 -0.084 0.000 1.509 286 L CA -1.256 53.552 54.840 -0.054 0.000 0.842 286 L CB 0.518 42.531 42.059 -0.075 0.000 1.087 286 L HN 0.540 8.727 8.230 -0.072 0.000 0.512 287 H N 2.256 121.353 119.070 0.045 0.000 2.289 287 H HA -0.270 4.508 4.556 0.012 -0.215 0.296 287 H C 1.658 176.968 175.328 -0.030 0.000 1.091 287 H CA 3.370 59.425 56.048 0.012 0.000 1.274 287 H CB 0.067 29.843 29.762 0.022 0.000 1.364 287 H HN 0.300 8.481 8.280 -0.166 0.000 0.490 288 Q N -3.017 116.846 119.800 0.104 0.000 2.163 288 Q HA -0.098 4.270 4.340 0.045 0.000 0.198 288 Q C 2.859 178.834 176.000 -0.042 0.000 0.954 288 Q CA 1.383 57.209 55.803 0.040 0.000 0.851 288 Q CB -0.134 28.639 28.738 0.058 0.000 0.928 288 Q HN -0.284 8.556 8.270 0.128 -0.493 0.459 289 L N 0.595 121.744 121.223 -0.123 0.000 2.156 289 L HA -0.177 4.110 4.340 -0.089 0.000 0.208 289 L C 1.585 178.124 176.870 -0.551 0.000 1.095 289 L CA 2.165 56.880 54.840 -0.208 0.000 0.770 289 L CB -0.283 41.665 42.059 -0.185 0.000 0.914 289 L HN -0.044 8.436 8.230 -0.108 -0.314 0.439 290 S N -3.008 112.185 115.700 -0.846 0.000 2.481 290 S HA -0.186 2.470 4.470 -3.023 0.000 0.231 290 S C 0.952 175.270 174.600 -0.470 0.000 0.996 290 S CA 2.302 59.684 58.200 -1.363 0.000 0.942 290 S CB 0.096 62.848 63.200 -0.747 0.000 0.768 290 S HN -0.557 7.393 8.310 -0.573 0.016 0.520 291 K N -1.830 118.447 120.400 -0.207 0.000 2.393 291 K HA 0.015 4.314 4.320 -0.035 0.000 0.193 291 K C -0.105 176.492 176.600 -0.005 0.000 1.026 291 K CA -0.229 56.025 56.287 -0.055 0.000 1.064 291 K CB 0.337 32.825 32.500 -0.021 0.000 0.833 291 K HN -0.718 7.272 8.250 -0.191 0.145 0.521 292 H N 3.249 122.271 119.070 -0.079 0.000 2.803 292 H HA 0.195 4.748 4.556 -0.004 0.000 0.330 292 H C -0.394 174.969 175.328 0.058 0.000 1.057 292 H CA -0.683 55.363 56.048 -0.004 0.000 1.458 292 H CB 1.429 31.191 29.762 0.001 0.000 1.470 292 H HN -0.708 7.404 8.280 0.028 0.185 0.560 293 P HA -0.122 4.291 4.420 -0.012 0.000 0.218 293 P C -0.276 177.091 177.300 0.111 0.000 1.146 293 P CA 1.604 64.667 63.100 -0.062 0.000 0.813 293 P CB 0.245 31.839 31.700 -0.176 0.000 0.778 294 K N -5.303 115.306 120.400 0.348 0.000 2.437 294 K HA 0.208 4.815 4.320 0.164 -0.189 0.205 294 K C 0.065 176.817 176.600 0.254 0.000 1.026 294 K CA -1.222 55.237 56.287 0.287 0.000 1.153 294 K CB -0.470 32.206 32.500 0.293 0.000 0.863 294 K HN -0.539 8.092 8.250 0.696 0.037 0.502 295 F N 2.330 122.345 119.950 0.108 0.000 2.069 295 F HA -0.497 4.010 4.527 -0.033 0.000 0.298 295 F C 0.888 176.657 175.800 -0.053 0.000 1.113 295 F CA 3.603 61.600 58.000 -0.005 0.000 1.214 295 F CB 0.039 39.022 39.000 -0.028 0.000 0.978 295 F HN -0.355 8.130 8.300 0.428 0.071 0.474 296 E N -2.103 117.974 120.200 -0.204 0.000 2.077 296 E HA -0.362 3.661 4.350 -0.545 0.000 0.193 296 E C 1.834 178.313 176.600 -0.201 0.000 0.989 296 E CA 3.613 59.821 56.400 -0.319 0.000 0.800 296 E CB -0.762 28.848 29.700 -0.150 0.000 0.746 296 E HN 0.426 8.781 8.360 -0.009 0.000 0.452 297 D N -0.164 120.184 120.400 -0.087 0.000 2.116 297 D HA -0.329 4.278 4.640 -0.055 0.000 0.193 297 D C 2.522 178.777 176.300 -0.075 0.000 0.998 297 D CA 3.392 57.360 54.000 -0.054 0.000 0.836 297 D CB -0.622 40.177 40.800 -0.002 0.000 0.951 297 D HN 0.096 8.441 8.370 -0.041 0.000 0.449 298 I N -0.352 120.169 120.570 -0.082 0.000 2.202 298 I HA -0.554 3.582 4.170 -0.056 0.000 0.242 298 I C 1.816 177.861 176.117 -0.119 0.000 1.091 298 I CA 4.217 65.470 61.300 -0.078 0.000 1.368 298 I CB -0.016 37.957 38.000 -0.046 0.000 1.058 298 I HN -0.465 7.600 8.210 -0.070 0.103 0.410 299 V N -0.352 119.432 119.914 -0.216 0.000 2.343 299 V HA -0.580 3.433 4.120 -0.179 0.000 0.247 299 V C 1.664 177.670 176.094 -0.147 0.000 1.051 299 V CA 4.877 67.042 62.300 -0.224 0.000 1.036 299 V CB -0.236 31.355 31.823 -0.386 0.000 0.654 299 V HN -0.690 7.321 8.190 -0.298 0.000 0.451 300 V N 0.552 120.382 119.914 -0.139 0.000 2.295 300 V HA -0.481 3.589 4.120 -0.082 0.000 0.246 300 V C 2.534 178.595 176.094 -0.056 0.000 1.049 300 V CA 4.180 66.428 62.300 -0.087 0.000 1.024 300 V CB -0.173 31.604 31.823 -0.077 0.000 0.648 300 V HN -0.511 7.581 8.190 -0.163 0.000 0.447 301 A N -0.063 122.725 122.820 -0.054 0.000 2.024 301 A HA -0.229 4.076 4.320 -0.024 0.000 0.220 301 A C 1.302 178.870 177.584 -0.027 0.000 1.164 301 A CA 2.978 54.995 52.037 -0.033 0.000 0.643 301 A CB -0.416 18.565 19.000 -0.032 0.000 0.806 301 A HN -0.133 7.978 8.150 -0.065 0.000 0.451 302 L N -4.989 116.211 121.223 -0.039 0.000 2.591 302 L HA 0.008 4.338 4.340 -0.017 0.000 0.228 302 L C -0.324 176.541 176.870 -0.008 0.000 1.133 302 L CA -0.413 54.412 54.840 -0.026 0.000 0.880 302 L CB -0.097 41.939 42.059 -0.038 0.000 1.033 302 L HN -0.706 7.355 8.230 -0.055 0.136 0.450 303 Q N -5.931 113.865 119.800 -0.007 0.000 2.494 303 Q HA -0.429 3.918 4.340 0.012 0.000 0.272 303 Q C -1.352 174.653 176.000 0.009 0.000 1.145 303 Q CA 0.791 56.604 55.803 0.016 0.000 0.943 303 Q CB -2.814 25.957 28.738 0.056 0.000 1.338 303 Q HN -0.198 7.877 8.270 -0.017 0.185 0.492 304 L N -4.014 117.191 121.223 -0.029 0.000 2.322 304 L HA 0.712 5.332 4.340 -0.027 -0.296 0.269 304 L C -0.908 175.920 176.870 -0.070 0.000 1.012 304 L CA -1.587 53.227 54.840 -0.044 0.000 0.815 304 L CB 2.836 44.861 42.059 -0.058 0.000 1.295 304 L HN -0.401 7.788 8.230 -0.046 0.013 0.438 305 Q N -0.979 118.781 119.800 -0.066 0.000 2.301 305 Q HA 0.294 4.579 4.340 -0.091 0.000 0.267 305 Q C -1.777 174.181 176.000 -0.070 0.000 1.035 305 Q CA -1.087 54.671 55.803 -0.076 0.000 0.856 305 Q CB 4.092 32.791 28.738 -0.064 0.000 1.337 305 Q HN 0.523 8.760 8.270 -0.056 0.000 0.450 306 K N 1.812 122.167 120.400 -0.076 0.000 2.468 306 K HA 1.044 5.589 4.320 -0.004 -0.227 0.252 306 K C -1.619 174.984 176.600 0.005 0.000 0.932 306 K CA -1.767 54.496 56.287 -0.039 0.000 0.794 306 K CB 2.544 34.960 32.500 -0.139 0.000 1.241 306 K HN 0.244 8.444 8.250 -0.084 0.000 0.428 307 R N 2.032 122.572 120.500 0.066 0.000 2.762 307 R HA 0.376 4.745 4.340 0.049 0.000 0.271 307 R C -1.968 174.357 176.300 0.041 0.000 1.038 307 R CA -1.953 54.172 56.100 0.040 0.000 0.906 307 R CB 3.067 33.346 30.300 -0.034 0.000 1.259 307 R HN 0.174 8.500 8.270 0.094 0.000 0.457 308 G N -2.388 106.388 108.800 -0.040 0.000 2.611 308 G HA2 0.278 4.095 3.960 -0.237 0.000 0.273 308 G HA3 0.278 4.395 3.960 -0.137 -0.240 0.273 308 G C 0.598 175.381 174.900 -0.195 0.000 1.305 308 G CA -0.507 44.502 45.100 -0.151 0.000 1.010 308 G HN 0.172 8.441 8.290 -0.036 0.000 0.509 309 T N -2.495 111.890 114.554 -0.281 0.000 3.085 309 T HA -0.209 3.762 4.350 -0.630 0.000 0.263 309 T C 0.743 175.376 174.700 -0.112 0.000 1.127 309 T CA 0.792 62.666 62.100 -0.377 0.000 1.103 309 T CB 0.343 68.976 68.868 -0.391 0.000 0.921 309 T HN -0.167 7.910 8.240 -0.272 0.000 0.510 310 G N -0.035 108.719 108.800 -0.076 0.000 3.337 310 G HA2 0.133 4.074 3.960 -0.032 0.000 0.246 310 G HA3 0.133 4.076 3.960 -0.028 0.000 0.246 310 G C -0.707 174.197 174.900 0.008 0.000 1.131 310 G CA -0.448 44.635 45.100 -0.028 0.000 0.773 310 G HN -0.507 7.682 8.290 -0.089 0.047 0.544 311 G N -0.259 108.545 108.800 0.007 0.000 2.422 311 G HA2 -0.302 3.675 3.960 0.028 0.000 0.607 311 G HA3 -0.302 3.682 3.960 0.040 0.000 0.607 311 G C -2.039 172.854 174.900 -0.011 0.000 1.270 311 G CA -0.849 44.264 45.100 0.021 0.000 0.992 311 G HN -0.827 7.405 8.290 -0.008 0.053 0.499 312 E N 0.783 120.967 120.200 -0.026 0.000 2.415 312 E HA -0.137 4.095 4.350 -0.198 0.000 0.262 312 E C -0.215 176.347 176.600 -0.063 0.000 1.038 312 E CA 0.861 57.173 56.400 -0.146 0.000 0.921 312 E CB -0.183 29.399 29.700 -0.196 0.000 0.950 312 E HN 0.072 8.431 8.360 -0.001 0.000 0.438 313 H N -3.873 115.202 119.070 0.009 0.000 2.791 313 H HA -0.314 4.248 4.556 0.010 0.000 0.302 313 H C -1.159 174.168 175.328 -0.001 0.000 1.198 313 H CA 0.690 56.742 56.048 0.006 0.000 1.145 313 H CB -1.629 28.136 29.762 0.005 0.000 1.385 313 H HN 0.484 8.533 8.280 -0.385 0.000 0.409 314 T N -4.672 109.911 114.554 0.049 0.000 2.916 314 T HA 0.254 4.621 4.350 0.029 0.000 0.292 314 T C -0.296 174.390 174.700 -0.024 0.000 1.055 314 T CA -2.227 59.881 62.100 0.014 0.000 1.009 314 T CB 2.431 71.293 68.868 -0.010 0.000 1.118 314 T HN -0.386 7.845 8.240 0.008 0.014 0.497 315 A N 1.099 123.893 122.820 -0.042 0.000 2.425 315 A HA 0.110 4.395 4.320 -0.059 0.000 0.242 315 A C -0.612 176.868 177.584 -0.174 0.000 1.077 315 A CA -0.333 51.657 52.037 -0.079 0.000 0.781 315 A CB 0.735 19.696 19.000 -0.064 0.000 1.020 315 A HN 0.200 8.331 8.150 -0.033 0.000 0.494 316 A N 2.884 125.536 122.820 -0.281 0.000 2.922 316 A HA 0.162 4.277 4.320 -0.522 -0.108 0.298 316 A C -0.318 177.050 177.584 -0.361 0.000 1.588 316 A CA -1.316 50.396 52.037 -0.542 0.000 1.288 316 A CB -1.213 17.017 19.000 -1.282 0.000 1.130 316 A HN 0.281 8.289 8.150 -0.237 0.000 0.557 317 V N 4.115 123.884 119.914 -0.240 0.000 2.475 317 V HA -0.353 3.699 4.120 -0.113 0.000 0.292 317 V C 0.285 176.299 176.094 -0.133 0.000 1.003 317 V CA 1.405 63.618 62.300 -0.145 0.000 1.120 317 V CB -0.089 31.673 31.823 -0.101 0.000 0.937 317 V HN -0.508 7.518 8.190 -0.232 0.025 0.476 318 D N 6.998 127.354 120.400 -0.073 0.000 2.870 318 D HA -0.355 4.318 4.640 0.056 0.000 0.228 318 D C -1.134 175.127 176.300 -0.065 0.000 1.147 318 D CA 1.286 55.284 54.000 -0.003 0.000 0.757 318 D CB -0.613 40.196 40.800 0.014 0.000 1.091 318 D HN 0.607 8.942 8.370 -0.058 0.000 0.429 319 D N -7.914 112.399 120.400 -0.146 0.000 2.945 319 D HA -0.434 4.045 4.640 -0.268 0.000 0.225 319 D C -1.254 174.891 176.300 -0.259 0.000 1.158 319 D CA 1.593 55.476 54.000 -0.196 0.000 0.805 319 D CB -1.946 38.819 40.800 -0.059 0.000 1.098 319 D HN -0.060 8.192 8.370 -0.159 0.021 0.426 320 V N -1.452 118.263 119.914 -0.332 0.000 2.385 320 V HA -0.005 4.234 4.120 -0.113 -0.186 0.269 320 V C -1.244 174.607 176.094 -0.406 0.000 1.043 320 V CA -0.173 61.981 62.300 -0.245 0.000 0.906 320 V CB 0.383 32.094 31.823 -0.187 0.000 0.995 320 V HN -0.895 6.958 8.190 -0.326 0.141 0.467 321 Y N 6.837 127.068 120.300 -0.116 0.000 2.387 321 Y HA 0.212 4.785 4.550 -0.126 -0.098 0.336 321 Y C -0.790 175.025 175.900 -0.140 0.000 1.067 321 Y CA -1.092 56.948 58.100 -0.100 0.000 1.114 321 Y CB 2.781 41.258 38.460 0.028 0.000 1.208 321 Y HN 0.482 8.887 8.280 0.207 0.000 0.458 322 D N 2.910 123.292 120.400 -0.030 0.000 2.325 322 D HA 0.361 5.271 4.640 0.130 -0.192 0.251 322 D C -1.246 175.103 176.300 0.082 0.000 1.196 322 D CA -0.169 53.858 54.000 0.044 0.000 0.866 322 D CB 0.958 41.779 40.800 0.035 0.000 1.101 322 D HN 0.129 8.460 8.370 -0.065 0.000 0.476 323 I N 6.777 127.393 120.570 0.076 0.000 2.406 323 I HA 0.857 5.252 4.170 0.009 -0.220 0.290 323 I C -1.585 174.537 176.117 0.010 0.000 0.999 323 I CA -1.889 59.425 61.300 0.023 0.000 1.124 323 I CB 2.357 40.356 38.000 -0.001 0.000 1.289 323 I HN 0.207 8.475 8.210 0.097 0.000 0.441 324 S N 4.359 120.051 115.700 -0.014 0.000 2.607 324 S HA 0.680 5.332 4.470 -0.018 -0.192 0.273 324 S C -1.304 173.273 174.600 -0.039 0.000 1.148 324 S CA -1.971 56.213 58.200 -0.026 0.000 0.833 324 S CB 2.639 65.818 63.200 -0.035 0.000 1.130 324 S HN 0.394 8.689 8.310 -0.025 0.000 0.470 325 N N 1.883 120.552 118.700 -0.052 0.000 2.454 325 N HA -0.066 4.678 4.740 0.008 0.000 0.254 325 N C 0.101 175.552 175.510 -0.099 0.000 1.228 325 N CA 0.377 53.400 53.050 -0.045 0.000 0.900 325 N CB 0.077 38.536 38.487 -0.047 0.000 1.089 325 N HN -0.253 8.088 8.380 -0.064 0.000 0.449 326 A N 2.054 124.845 122.820 -0.049 0.000 1.911 326 A HA 0.041 4.479 4.320 -0.071 -0.160 0.212 326 A C -0.902 176.638 177.584 -0.073 0.000 1.189 326 A CA 1.451 53.455 52.037 -0.055 0.000 0.639 326 A CB 0.409 19.397 19.000 -0.020 0.000 0.839 326 A HN -0.080 8.071 8.150 0.002 0.000 0.449 327 A N -2.894 119.909 122.820 -0.029 0.000 2.246 327 A HA -0.027 4.323 4.320 0.050 0.000 0.291 327 A C -1.071 176.314 177.584 -0.331 0.000 1.103 327 A CA -0.305 51.748 52.037 0.027 0.000 0.844 327 A CB 1.504 20.701 19.000 0.327 0.000 1.136 327 A HN 0.047 8.226 8.150 0.048 0.000 0.500 328 R N -5.090 115.369 120.500 -0.069 0.000 2.676 328 R HA 0.291 4.265 4.340 -0.610 0.000 0.241 328 R C -0.525 175.843 176.300 0.113 0.000 0.964 328 R CA -0.009 55.975 56.100 -0.193 0.000 1.054 328 R CB 2.172 32.443 30.300 -0.049 0.000 1.603 328 R HN 0.332 8.700 8.270 0.163 0.000 0.577 329 L N -1.605 119.698 121.223 0.134 0.000 2.332 329 L HA 0.191 4.626 4.340 -0.052 -0.127 0.269 329 L C 0.514 177.491 176.870 0.178 0.000 1.016 329 L CA -0.272 54.548 54.840 -0.033 0.000 0.809 329 L CB 1.918 43.645 42.059 -0.554 0.000 1.280 329 L HN -0.347 7.987 8.230 0.173 0.000 0.447 330 K N -4.141 116.329 120.400 0.117 0.000 3.576 330 K HA -0.331 4.113 4.320 0.206 0.000 0.266 330 K C -1.345 175.245 176.600 -0.017 0.000 0.969 330 K CA 1.958 58.327 56.287 0.136 0.000 1.137 330 K CB -0.715 31.889 32.500 0.173 0.000 1.294 330 K HN 0.677 9.380 8.250 0.087 -0.401 0.536 331 K N -2.131 118.154 120.400 -0.192 0.000 2.328 331 K HA 0.283 4.564 4.320 -0.284 -0.131 0.246 331 K C -0.809 175.627 176.600 -0.274 0.000 0.955 331 K CA -1.563 54.449 56.287 -0.459 0.000 0.817 331 K CB 3.318 35.160 32.500 -1.097 0.000 1.208 331 K HN -0.943 7.141 8.250 -0.132 0.087 0.432 332 S N 0.987 116.602 115.700 -0.142 0.000 2.634 332 S HA 0.044 4.603 4.470 0.148 0.000 0.261 332 S C 1.208 175.900 174.600 0.153 0.000 1.271 332 S CA -1.373 56.867 58.200 0.067 0.000 0.985 332 S CB 2.367 65.620 63.200 0.089 0.000 0.968 332 S HN 0.018 8.503 8.310 -0.155 -0.269 0.568 333 E N 1.474 121.854 120.200 0.300 0.000 2.051 333 E HA -0.382 4.211 4.350 0.405 0.000 0.192 333 E C 2.151 178.821 176.600 0.115 0.000 0.991 333 E CA 4.613 61.226 56.400 0.356 0.000 0.799 333 E CB -0.420 29.602 29.700 0.537 0.000 0.748 333 E HN 0.668 9.220 8.360 0.319 0.000 0.449 334 R N -0.901 119.694 120.500 0.159 0.000 2.081 334 R HA -0.316 3.709 4.340 -0.525 0.000 0.235 334 R C 2.229 178.437 176.300 -0.153 0.000 1.131 334 R CA 2.844 58.900 56.100 -0.074 0.000 0.960 334 R CB -0.281 30.142 30.300 0.205 0.000 0.856 334 R HN -0.267 8.176 8.270 0.288 0.000 0.436 335 E N -1.057 119.088 120.200 -0.092 0.000 2.110 335 E HA -0.300 3.975 4.350 -0.125 0.000 0.193 335 E C 2.546 179.039 176.600 -0.177 0.000 0.988 335 E CA 2.868 59.171 56.400 -0.161 0.000 0.804 335 E CB -0.279 29.282 29.700 -0.231 0.000 0.745 335 E HN -0.683 7.571 8.360 -0.049 0.077 0.458 336 F N -0.557 119.339 119.950 -0.090 0.000 2.146 336 F HA -0.337 4.154 4.527 -0.059 0.000 0.298 336 F C 2.113 177.826 175.800 -0.146 0.000 1.096 336 F CA 3.721 61.666 58.000 -0.092 0.000 1.275 336 F CB 0.318 39.276 39.000 -0.070 0.000 1.008 336 F HN -0.340 7.945 8.300 -0.024 0.000 0.480 337 V N -1.059 118.804 119.914 -0.086 0.000 2.407 337 V HA -0.603 3.425 4.120 -0.153 0.000 0.248 337 V C 1.674 177.694 176.094 -0.123 0.000 1.055 337 V CA 4.441 66.606 62.300 -0.224 0.000 1.049 337 V CB -0.481 30.960 31.823 -0.637 0.000 0.662 337 V HN -0.509 7.584 8.190 -0.162 0.000 0.455 338 Q N -0.211 119.518 119.800 -0.119 0.000 2.119 338 Q HA -0.257 4.046 4.340 -0.063 0.000 0.201 338 Q C 2.001 177.994 176.000 -0.011 0.000 0.972 338 Q CA 2.578 58.342 55.803 -0.065 0.000 0.847 338 Q CB -0.443 28.253 28.738 -0.069 0.000 0.903 338 Q HN -0.522 7.560 8.270 -0.145 0.101 0.433 339 L N -0.196 121.027 121.223 -0.000 0.000 2.083 339 L HA -0.248 4.102 4.340 0.017 0.000 0.209 339 L C 1.666 178.572 176.870 0.060 0.000 1.083 339 L CA 2.821 57.681 54.840 0.033 0.000 0.752 339 L CB -0.281 41.817 42.059 0.064 0.000 0.899 339 L HN -0.079 8.063 8.230 -0.012 0.081 0.433 340 L N -0.246 121.022 121.223 0.074 0.000 2.027 340 L HA -0.320 4.060 4.340 0.065 0.000 0.206 340 L C 1.422 178.391 176.870 0.166 0.000 1.074 340 L CA 3.163 58.057 54.840 0.089 0.000 0.745 340 L CB -0.073 42.034 42.059 0.080 0.000 0.898 340 L HN -0.379 7.892 8.230 0.068 0.000 0.433 341 I N -0.262 120.429 120.570 0.201 0.000 2.118 341 I HA -0.695 3.880 4.170 0.675 0.000 0.241 341 I C 1.778 178.039 176.117 0.240 0.000 1.070 341 I CA 4.863 66.349 61.300 0.311 0.000 1.327 341 I CB -0.530 37.509 38.000 0.064 0.000 1.034 341 I HN 0.023 8.306 8.210 0.122 0.000 0.405 342 D N -1.122 119.344 120.400 0.110 0.000 2.117 342 D HA -0.216 4.468 4.640 0.073 0.000 0.198 342 D C 2.879 179.210 176.300 0.052 0.000 0.982 342 D CA 3.379 57.420 54.000 0.068 0.000 0.828 342 D CB -0.703 40.116 40.800 0.031 0.000 0.967 342 D HN 0.002 8.420 8.370 0.080 0.000 0.464 343 G N -0.393 108.431 108.800 0.040 0.000 2.402 343 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.216 343 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.216 343 G C 1.278 176.162 174.900 -0.026 0.000 1.162 343 G CA 1.931 47.032 45.100 0.003 0.000 0.777 343 G HN -0.280 8.040 8.290 0.050 0.000 0.539 344 V N 2.735 122.627 119.914 -0.035 0.000 2.453 344 V HA -0.532 3.484 4.120 -0.174 0.000 0.247 344 V C 1.343 177.349 176.094 -0.147 0.000 1.048 344 V CA 3.844 66.035 62.300 -0.182 0.000 1.049 344 V CB -0.091 31.432 31.823 -0.499 0.000 0.672 344 V HN 0.145 8.345 8.190 0.017 0.000 0.457 345 K N -0.226 120.190 120.400 0.027 0.000 2.063 345 K HA -0.338 4.021 4.320 0.065 0.000 0.208 345 K C 1.780 178.366 176.600 -0.023 0.000 1.048 345 K CA 2.789 59.113 56.287 0.062 0.000 0.928 345 K CB -0.678 31.906 32.500 0.141 0.000 0.713 345 K HN -0.223 8.103 8.250 0.126 0.000 0.442 346 K N -1.063 119.322 120.400 -0.025 0.000 2.057 346 K HA -0.241 4.053 4.320 -0.042 0.000 0.206 346 K C 2.489 179.044 176.600 -0.075 0.000 1.050 346 K CA 3.164 59.424 56.287 -0.045 0.000 0.935 346 K CB -0.158 32.322 32.500 -0.033 0.000 0.715 346 K HN -0.700 7.544 8.250 -0.009 0.000 0.439 347 L N -0.913 120.261 121.223 -0.082 0.000 2.013 347 L HA -0.339 3.961 4.340 -0.068 0.000 0.212 347 L C 2.476 179.260 176.870 -0.142 0.000 1.073 347 L CA 3.239 58.026 54.840 -0.088 0.000 0.753 347 L CB -0.301 41.713 42.059 -0.075 0.000 0.890 347 L HN -0.415 7.770 8.230 -0.076 0.000 0.432 348 I N -0.505 119.948 120.570 -0.195 0.000 2.226 348 I HA -0.617 3.289 4.170 -0.441 0.000 0.245 348 I C 1.789 177.728 176.117 -0.295 0.000 1.100 348 I CA 4.565 65.658 61.300 -0.346 0.000 1.374 348 I CB -0.402 37.376 38.000 -0.370 0.000 1.057 348 I HN -0.216 7.889 8.210 -0.175 0.000 0.413 349 D N 0.400 120.697 120.400 -0.172 0.000 2.133 349 D HA -0.262 4.306 4.640 -0.120 0.000 0.195 349 D C 2.756 178.988 176.300 -0.113 0.000 0.997 349 D CA 3.449 57.377 54.000 -0.120 0.000 0.840 349 D CB -0.504 40.252 40.800 -0.073 0.000 0.947 349 D HN -0.190 8.097 8.370 -0.139 0.000 0.452 350 M N -1.400 118.130 119.600 -0.117 0.000 2.200 350 M HA -0.376 4.045 4.480 -0.097 0.000 0.265 350 M C 1.802 178.040 176.300 -0.103 0.000 1.066 350 M CA 4.277 59.511 55.300 -0.110 0.000 1.127 350 M CB 0.109 32.633 32.600 -0.127 0.000 1.379 350 M HN -0.235 7.976 8.290 -0.120 0.007 0.420 351 E N 0.181 120.304 120.200 -0.128 0.000 2.058 351 E HA -0.376 3.943 4.350 -0.053 0.000 0.194 351 E C 2.363 178.933 176.600 -0.050 0.000 0.997 351 E CA 3.274 59.619 56.400 -0.091 0.000 0.801 351 E CB -0.576 29.042 29.700 -0.137 0.000 0.746 351 E HN -0.264 7.923 8.360 -0.159 0.078 0.450 352 Q N -0.826 118.907 119.800 -0.111 0.000 2.079 352 Q HA -0.272 4.306 4.340 0.036 -0.216 0.200 352 Q C 2.657 178.654 176.000 -0.005 0.000 0.974 352 Q CA 2.778 58.561 55.803 -0.034 0.000 0.840 352 Q CB 0.066 28.762 28.738 -0.070 0.000 0.898 352 Q HN -0.180 7.977 8.270 -0.188 0.000 0.430 353 A N 0.093 122.896 122.820 -0.028 0.000 1.892 353 A HA -0.293 4.024 4.320 -0.006 0.000 0.218 353 A C 2.182 179.769 177.584 0.005 0.000 1.188 353 A CA 3.077 55.106 52.037 -0.013 0.000 0.631 353 A CB -0.769 18.214 19.000 -0.029 0.000 0.822 353 A HN -0.398 7.721 8.150 -0.052 0.000 0.447 354 L N -2.627 118.599 121.223 0.006 0.000 2.156 354 L HA -0.262 4.099 4.340 0.035 0.000 0.208 354 L C 3.471 180.365 176.870 0.040 0.000 1.095 354 L CA 2.392 57.249 54.840 0.029 0.000 0.770 354 L CB -0.251 41.829 42.059 0.034 0.000 0.914 354 L HN -0.314 7.911 8.230 -0.009 0.000 0.439 355 E N -0.469 119.760 120.200 0.049 0.000 2.153 355 E HA -0.314 4.074 4.350 0.063 0.000 0.194 355 E C 1.221 177.848 176.600 0.046 0.000 0.988 355 E CA 2.528 58.966 56.400 0.063 0.000 0.811 355 E CB -0.204 29.557 29.700 0.101 0.000 0.746 355 E HN -0.077 8.231 8.360 0.047 0.080 0.466 356 A N -3.833 119.009 122.820 0.037 0.000 2.251 356 A HA 0.107 4.445 4.320 0.030 0.000 0.209 356 A C -0.117 177.481 177.584 0.024 0.000 1.187 356 A CA -0.053 52.001 52.037 0.029 0.000 0.823 356 A CB 0.110 19.125 19.000 0.025 0.000 0.846 356 A HN -0.414 7.634 8.150 0.034 0.122 0.486 357 G N -2.288 106.528 108.800 0.026 0.000 2.149 357 G HA2 -0.381 3.595 3.960 0.027 0.000 0.235 357 G HA3 -0.381 3.591 3.960 0.021 0.000 0.235 357 G C -0.577 174.338 174.900 0.024 0.000 1.018 357 G CA 0.040 45.155 45.100 0.024 0.000 0.728 357 G HN -0.442 7.667 8.290 0.029 0.199 0.508 358 K N -0.884 119.531 120.400 0.024 0.000 2.185 358 K HA 0.280 4.612 4.320 0.021 0.000 0.240 358 K C -0.877 175.741 176.600 0.030 0.000 0.983 358 K CA -1.927 54.373 56.287 0.022 0.000 0.873 358 K CB 1.826 34.334 32.500 0.014 0.000 1.118 358 K HN -0.189 8.076 8.250 0.024 0.000 0.441 359 S N -0.586 115.132 115.700 0.030 0.000 2.545 359 S HA 0.021 4.531 4.470 0.068 0.000 0.275 359 S C 0.674 175.288 174.600 0.023 0.000 1.299 359 S CA -0.136 58.090 58.200 0.044 0.000 1.048 359 S CB 0.222 63.447 63.200 0.041 0.000 0.938 359 S HN 0.145 8.470 8.310 0.025 0.000 0.496 360 I N 0.852 121.432 120.570 0.016 0.000 3.904 360 I HA 0.389 4.535 4.170 -0.039 0.000 0.333 360 I C -0.289 175.809 176.117 -0.032 0.000 1.361 360 I CA -0.711 60.562 61.300 -0.046 0.000 1.116 360 I CB 0.092 37.999 38.000 -0.156 0.000 1.028 360 I HN 0.341 8.582 8.210 0.052 0.000 0.398 361 D N 2.773 123.184 120.400 0.018 0.000 2.182 361 D HA -0.293 4.368 4.640 0.035 0.000 0.201 361 D C 0.670 176.973 176.300 0.006 0.000 0.986 361 D CA 3.096 57.112 54.000 0.026 0.000 0.847 361 D CB -0.635 40.189 40.800 0.040 0.000 0.942 361 D HN -0.483 7.837 8.370 0.035 0.071 0.467 362 D N -4.137 116.263 120.400 -0.001 0.000 2.323 362 D HA -0.025 4.614 4.640 -0.002 0.000 0.209 362 D C 0.873 177.165 176.300 -0.015 0.000 0.973 362 D CA 0.774 54.771 54.000 -0.005 0.000 0.874 362 D CB 0.128 40.926 40.800 -0.003 0.000 0.930 362 D HN 0.347 8.699 8.370 -0.001 0.017 0.521 363 L N -2.513 118.694 121.223 -0.027 0.000 2.408 363 L HA -0.012 4.310 4.340 -0.029 0.000 0.215 363 L C 0.522 177.367 176.870 -0.043 0.000 1.081 363 L CA 0.178 54.996 54.840 -0.037 0.000 0.840 363 L CB 1.133 43.161 42.059 -0.052 0.000 1.002 363 L HN -0.643 7.399 8.230 -0.031 0.170 0.468 364 I N -0.225 120.317 120.570 -0.048 0.000 2.821 364 I HA -0.225 3.910 4.170 -0.058 0.000 0.294 364 I C -2.060 174.042 176.117 -0.025 0.000 1.210 364 I CA -0.335 60.938 61.300 -0.044 0.000 1.430 364 I CB -0.337 37.646 38.000 -0.029 0.000 1.356 364 I HN -0.736 7.446 8.210 -0.047 0.000 0.563 365 P HA -0.056 4.355 4.420 -0.016 0.000 0.262 365 P C -0.849 176.445 177.300 -0.010 0.000 1.199 365 P CA -0.100 62.989 63.100 -0.017 0.000 0.763 365 P CB 0.196 31.884 31.700 -0.020 0.000 0.790 366 A N 0.000 122.816 122.820 -0.006 0.000 2.254 366 A HA 0.000 4.320 4.320 0.001 0.000 0.244 366 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 366 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 366 A HN 0.000 8.146 8.150 -0.007 0.000 0.486