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 2vf3_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMIKVLSPAK INLGLWVLGR LPSGYHEILT LYQEIPFYDE IYIREGVLRV DATA SEQUENCE ETNIGIPQEE NLVYKGLREF ERITGIEINY SIFIQKNIPP GAGLGGGSSN DATA SEQUENCE LAVVLKKVNE LLGSPLSEEE LRELVGSISA DAPFFLLGKS AIGRGKGEVL DATA SEQUENCE EPVETEISGK ITLVIPQVSS STGRVYSSLR EEHFVTPEYA EEKIQRIISG DATA SEQUENCE EVEEIENVLG DIARELYPEI NEVYRFVEYL GFKPFVSGSG STVYFFGGAS DATA SEQUENCE EELKKAAKMR GWKVVELEL 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 0 H HA 0.000 4.556 4.556 0.000 0.000 0.296 0 H C 0.000 175.374 175.328 0.076 0.000 0.993 0 H CA 0.000 56.079 56.048 0.051 0.000 1.023 0 H CB 0.000 29.796 29.762 0.057 0.000 1.292 1 M N 2.443 122.124 119.600 0.134 0.000 2.252 1 M HA 0.286 4.765 4.480 -0.002 0.000 0.348 1 M C -0.206 176.175 176.300 0.135 0.000 1.334 1 M CA -0.023 55.365 55.300 0.145 0.000 1.071 1 M CB 0.190 32.866 32.600 0.126 0.000 1.763 1 M HN 0.504 8.794 8.290 0.000 0.000 0.452 2 I N 1.555 122.201 120.570 0.127 0.000 2.846 2 I HA 0.626 4.795 4.170 -0.002 0.000 0.307 2 I C -1.083 175.046 176.117 0.020 0.000 1.053 2 I CA -0.993 60.347 61.300 0.068 0.000 1.050 2 I CB 1.925 39.937 38.000 0.021 0.000 1.239 2 I HN 0.595 8.805 8.210 0.000 0.000 0.439 3 K N 3.623 123.974 120.400 -0.081 0.000 2.244 3 K HA 0.726 5.045 4.320 -0.002 0.000 0.260 3 K C -1.324 175.131 176.600 -0.241 0.000 0.951 3 K CA -0.758 55.341 56.287 -0.313 0.000 0.826 3 K CB 1.985 34.225 32.500 -0.432 0.000 1.108 3 K HN 0.727 8.977 8.250 0.000 0.000 0.433 4 V N 2.516 122.270 119.914 -0.267 0.000 2.656 4 V HA 0.513 4.632 4.120 -0.002 0.000 0.307 4 V C -0.502 175.464 176.094 -0.213 0.000 1.051 4 V CA -1.115 61.064 62.300 -0.201 0.000 0.893 4 V CB 1.285 33.020 31.823 -0.146 0.000 0.999 4 V HN 0.686 8.876 8.190 0.000 0.000 0.426 5 L N 3.286 124.387 121.223 -0.203 0.000 2.395 5 L HA 0.591 4.930 4.340 -0.002 0.000 0.269 5 L C 0.583 177.426 176.870 -0.046 0.000 1.133 5 L CA 0.062 54.792 54.840 -0.183 0.000 0.812 5 L CB 1.625 43.421 42.059 -0.438 0.000 1.125 5 L HN 0.895 9.125 8.230 0.000 0.000 0.452 6 S N 4.198 119.918 115.700 0.033 0.000 2.718 6 S HA 0.473 4.942 4.470 -0.002 0.000 0.294 6 S C -2.458 172.147 174.600 0.007 0.000 1.157 6 S CA -1.440 56.743 58.200 -0.028 0.000 1.121 6 S CB 1.118 64.234 63.200 -0.139 0.000 1.015 6 S HN 0.314 8.624 8.310 0.000 0.000 0.479 7 P HA 0.371 4.791 4.420 0.000 0.000 0.276 7 P C -0.448 176.796 177.300 -0.092 0.000 1.244 7 P CA -0.388 62.686 63.100 -0.044 0.000 0.801 7 P CB 0.880 32.648 31.700 0.114 0.000 1.006 8 A N 2.420 125.190 122.820 -0.084 0.000 2.246 8 A HA 0.591 4.910 4.320 -0.002 0.000 0.291 8 A C 0.192 177.992 177.584 0.360 0.000 1.103 8 A CA -0.156 51.928 52.037 0.078 0.000 0.844 8 A CB 0.110 19.136 19.000 0.042 0.000 1.136 8 A HN 0.615 8.765 8.150 0.000 0.000 0.500 9 K N -0.710 119.924 120.400 0.390 0.000 2.350 9 K HA 0.773 5.092 4.320 -0.002 0.000 0.241 9 K C -0.769 175.874 176.600 0.071 0.000 0.994 9 K CA -0.468 55.951 56.287 0.220 0.000 0.839 9 K CB 1.264 33.818 32.500 0.090 0.000 1.244 9 K HN 0.775 9.024 8.250 0.000 0.000 0.443 10 I N -1.713 118.824 120.570 -0.054 0.000 2.740 10 I HA 0.520 4.689 4.170 -0.002 0.000 0.303 10 I C -1.334 174.713 176.117 -0.117 0.000 1.044 10 I CA -1.256 59.957 61.300 -0.145 0.000 1.064 10 I CB 2.202 39.919 38.000 -0.472 0.000 1.249 10 I HN 0.489 8.699 8.210 0.000 0.000 0.433 11 N N 4.597 123.259 118.700 -0.063 0.000 2.406 11 N HA 0.390 5.129 4.740 -0.002 0.000 0.251 11 N C -0.612 174.885 175.510 -0.022 0.000 1.069 11 N CA -0.353 52.650 53.050 -0.080 0.000 0.947 11 N CB 1.172 39.620 38.487 -0.064 0.000 1.111 11 N HN 0.537 8.917 8.380 0.000 0.000 0.497 12 L N 2.637 123.829 121.223 -0.052 0.000 2.583 12 L HA 0.396 4.735 4.340 -0.002 0.000 0.239 12 L C 0.734 177.605 176.870 0.002 0.000 1.347 12 L CA -0.441 54.416 54.840 0.028 0.000 1.246 12 L CB -1.016 41.051 42.059 0.014 0.000 1.496 12 L HN 0.722 8.952 8.230 0.000 0.000 0.413 13 G N 1.249 109.997 108.800 -0.086 0.000 2.770 13 G HA2 -0.004 3.954 3.960 -0.002 0.000 0.686 13 G HA3 -0.004 3.954 3.960 -0.002 0.000 0.686 13 G C -1.627 172.956 174.900 -0.527 0.000 1.180 13 G CA -0.897 43.986 45.100 -0.362 0.000 0.767 13 G HN 0.244 8.534 8.290 0.000 0.000 0.646 14 L N 1.598 122.208 121.223 -1.022 0.000 2.513 14 L HA 0.883 5.221 4.340 -0.002 0.000 0.261 14 L C -1.107 175.249 176.870 -0.856 0.000 0.945 14 L CA -1.009 53.464 54.840 -0.612 0.000 0.848 14 L CB 1.612 43.495 42.059 -0.294 0.000 1.334 14 L HN 0.734 8.964 8.230 0.000 0.000 0.407 15 W N 4.373 125.703 121.300 0.051 0.000 2.915 15 W HA 0.611 5.269 4.660 -0.003 0.000 0.337 15 W C -1.252 175.343 176.519 0.128 0.000 1.102 15 W CA -0.804 56.606 57.345 0.108 0.000 1.224 15 W CB 2.161 31.698 29.460 0.128 0.000 1.416 15 W HN 0.122 8.302 8.180 0.000 0.000 0.503 16 V N 4.343 124.468 119.914 0.351 0.000 2.370 16 V HA 0.202 4.321 4.120 -0.002 0.000 0.283 16 V C 0.778 177.064 176.094 0.321 0.000 1.023 16 V CA -0.323 62.172 62.300 0.326 0.000 0.857 16 V CB 1.480 33.506 31.823 0.339 0.000 0.985 16 V HN 0.534 8.724 8.190 0.000 0.000 0.443 17 L N 3.421 124.754 121.223 0.183 0.000 2.249 17 L HA 0.510 4.848 4.340 -0.002 0.000 0.207 17 L C 1.142 177.902 176.870 -0.183 0.000 1.090 17 L CA 1.064 55.954 54.840 0.083 0.000 0.802 17 L CB -0.089 42.013 42.059 0.071 0.000 0.947 17 L HN 0.858 9.088 8.230 0.000 0.000 0.453 18 G N -0.335 108.264 108.800 -0.335 0.000 2.315 18 G HA2 0.247 4.205 3.960 -0.002 0.000 0.294 18 G HA3 0.247 4.205 3.960 -0.002 0.000 0.294 18 G C -1.478 173.217 174.900 -0.341 0.000 1.300 18 G CA -1.026 43.632 45.100 -0.737 0.000 0.843 18 G HN -0.068 8.222 8.290 0.000 0.000 0.527 19 R N -0.410 119.847 120.500 -0.406 0.000 2.357 19 R HA 0.588 4.926 4.340 -0.002 0.000 0.296 19 R C -0.645 175.508 176.300 -0.245 0.000 1.052 19 R CA -0.610 55.216 56.100 -0.456 0.000 0.988 19 R CB 1.035 31.154 30.300 -0.302 0.000 1.025 19 R HN 0.212 8.482 8.270 0.000 0.000 0.469 20 L N 4.591 125.694 121.223 -0.201 0.000 2.334 20 L HA 0.324 4.663 4.340 -0.002 0.000 0.275 20 L C -1.454 175.373 176.870 -0.072 0.000 1.036 20 L CA -2.724 52.052 54.840 -0.106 0.000 0.807 20 L CB 1.209 43.213 42.059 -0.092 0.000 1.231 20 L HN 0.383 8.613 8.230 0.000 0.000 0.438 21 P HA -0.192 4.228 4.420 0.000 0.000 0.218 21 P C 1.211 178.511 177.300 -0.001 0.000 1.154 21 P CA 1.499 64.582 63.100 -0.029 0.000 0.872 21 P CB 0.167 31.851 31.700 -0.028 0.000 0.790 22 S N -2.592 113.109 115.700 0.001 0.000 2.805 22 S HA 0.229 4.698 4.470 -0.002 0.000 0.230 22 S C 1.347 176.085 174.600 0.231 0.000 0.968 22 S CA 0.818 59.049 58.200 0.052 0.000 0.976 22 S CB -0.928 62.239 63.200 -0.055 0.000 0.787 22 S HN 0.352 8.662 8.310 0.000 0.000 0.533 23 G N -0.516 108.390 108.800 0.177 0.000 4.399 23 G HA2 0.173 4.132 3.960 -0.002 0.000 0.158 23 G HA3 0.173 4.132 3.960 -0.002 0.000 0.158 23 G C -0.461 174.428 174.900 -0.018 0.000 1.911 23 G CA -0.171 45.006 45.100 0.127 0.000 0.926 23 G HN 0.536 8.826 8.290 0.000 0.000 0.292 24 Y N -0.211 119.937 120.300 -0.254 0.000 2.791 24 Y HA 0.464 5.013 4.550 -0.002 0.000 0.379 24 Y C -1.700 173.972 175.900 -0.380 0.000 1.168 24 Y CA -0.971 57.005 58.100 -0.206 0.000 1.356 24 Y CB 1.148 39.531 38.460 -0.128 0.000 1.444 24 Y HN 0.489 8.769 8.280 0.000 0.000 0.515 25 H N 1.736 120.947 119.070 0.236 0.000 2.759 25 H HA 0.294 4.848 4.556 -0.002 0.000 0.354 25 H C -1.220 174.174 175.328 0.110 0.000 1.074 25 H CA -0.878 55.234 56.048 0.108 0.000 1.226 25 H CB 2.041 31.885 29.762 0.137 0.000 1.648 25 H HN 0.426 8.706 8.280 0.000 0.000 0.529 26 E N 3.385 123.670 120.200 0.142 0.000 2.313 26 E HA 0.340 4.689 4.350 -0.002 0.000 0.276 26 E C -0.523 176.175 176.600 0.164 0.000 1.031 26 E CA -0.394 56.071 56.400 0.108 0.000 0.857 26 E CB 0.860 30.581 29.700 0.035 0.000 1.040 26 E HN 0.526 8.886 8.360 0.000 0.000 0.408 27 I N 0.430 121.098 120.570 0.163 0.000 3.174 27 I HA 0.565 4.734 4.170 -0.002 0.000 0.313 27 I C -1.761 174.451 176.117 0.157 0.000 1.155 27 I CA -1.244 60.172 61.300 0.193 0.000 0.977 27 I CB 1.621 39.750 38.000 0.215 0.000 1.248 27 I HN 0.293 8.503 8.210 0.000 0.000 0.453 28 L N 1.961 123.308 121.223 0.207 0.000 2.385 28 L HA 0.805 5.144 4.340 -0.002 0.000 0.273 28 L C -0.639 176.371 176.870 0.234 0.000 0.990 28 L CA 0.210 55.159 54.840 0.182 0.000 0.821 28 L CB 1.814 43.972 42.059 0.166 0.000 1.279 28 L HN 0.946 9.176 8.230 0.000 0.000 0.412 29 T N 4.047 118.630 114.554 0.048 0.000 2.889 29 T HA 0.550 4.898 4.350 -0.002 0.000 0.315 29 T C -1.946 172.621 174.700 -0.221 0.000 1.291 29 T CA -0.441 61.608 62.100 -0.084 0.000 1.028 29 T CB 1.118 69.786 68.868 -0.333 0.000 1.235 29 T HN 0.575 8.815 8.240 0.000 0.000 0.491 30 L N 4.778 125.901 121.223 -0.166 0.000 2.280 30 L HA 0.627 4.965 4.340 -0.002 0.000 0.287 30 L C -1.485 175.196 176.870 -0.316 0.000 1.023 30 L CA -0.429 54.295 54.840 -0.194 0.000 0.819 30 L CB 0.218 42.257 42.059 -0.032 0.000 1.212 30 L HN 0.625 8.855 8.230 0.000 0.000 0.420 31 Y N 3.549 123.680 120.300 -0.282 0.000 2.335 31 Y HA 0.545 5.094 4.550 -0.002 0.000 0.331 31 Y C 0.232 175.863 175.900 -0.449 0.000 1.094 31 Y CA -0.096 57.639 58.100 -0.608 0.000 1.253 31 Y CB 1.039 38.644 38.460 -1.426 0.000 1.203 31 Y HN 0.587 8.867 8.280 0.000 0.000 0.508 32 Q N 2.743 122.440 119.800 -0.171 0.000 2.292 32 Q HA 0.240 4.578 4.340 -0.002 0.000 0.270 32 Q C -0.978 175.062 176.000 0.067 0.000 1.024 32 Q CA -0.701 55.094 55.803 -0.014 0.000 0.768 32 Q CB 1.356 30.078 28.738 -0.028 0.000 1.250 32 Q HN 0.699 8.969 8.270 0.000 0.000 0.447 33 E N 4.286 124.648 120.200 0.270 0.000 2.384 33 E HA 0.309 4.658 4.350 -0.002 0.000 0.266 33 E C -0.661 176.010 176.600 0.118 0.000 1.012 33 E CA -0.224 56.339 56.400 0.271 0.000 0.901 33 E CB 0.480 30.336 29.700 0.259 0.000 0.967 33 E HN 0.677 9.037 8.360 0.000 0.000 0.435 34 I N 1.343 121.958 120.570 0.075 0.000 2.689 34 I HA 0.456 4.625 4.170 -0.002 0.000 0.299 34 I C -2.378 173.671 176.117 -0.113 0.000 1.059 34 I CA -3.002 58.294 61.300 -0.007 0.000 1.055 34 I CB 2.250 40.235 38.000 -0.025 0.000 1.243 34 I HN 0.296 8.506 8.210 0.000 0.000 0.425 35 P HA 0.153 4.573 4.420 0.000 0.000 0.226 35 P C -1.028 176.046 177.300 -0.376 0.000 1.783 35 P CA 0.385 63.321 63.100 -0.273 0.000 0.980 35 P CB -0.660 31.069 31.700 0.048 0.000 1.967 36 F N 2.864 122.322 119.950 -0.820 0.000 2.579 36 F HA 0.466 4.992 4.527 -0.002 0.000 0.325 36 F C -1.724 173.747 175.800 -0.549 0.000 1.162 36 F CA -2.045 55.671 58.000 -0.473 0.000 0.946 36 F CB 1.143 40.002 39.000 -0.235 0.000 1.211 36 F HN -0.081 8.219 8.300 0.000 0.000 0.447 37 Y N 3.203 123.396 120.300 -0.178 0.000 2.442 37 Y HA 0.403 4.952 4.550 -0.002 0.000 0.344 37 Y C -0.224 175.503 175.900 -0.289 0.000 0.976 37 Y CA -1.231 56.736 58.100 -0.221 0.000 1.040 37 Y CB 1.314 39.722 38.460 -0.087 0.000 1.228 37 Y HN 0.382 8.662 8.280 0.000 0.000 0.451 38 D N 2.721 123.043 120.400 -0.130 0.000 2.345 38 D HA 0.086 4.725 4.640 -0.002 0.000 0.247 38 D C -0.151 176.119 176.300 -0.049 0.000 1.108 38 D CA -0.214 53.721 54.000 -0.108 0.000 0.894 38 D CB 0.972 41.680 40.800 -0.153 0.000 1.203 38 D HN 0.556 8.926 8.370 0.000 0.000 0.430 39 E N 2.114 122.295 120.200 -0.032 0.000 2.197 39 E HA 0.356 4.704 4.350 -0.002 0.000 0.281 39 E C -0.439 176.087 176.600 -0.122 0.000 0.995 39 E CA -0.536 55.801 56.400 -0.104 0.000 0.808 39 E CB 1.376 31.015 29.700 -0.101 0.000 1.093 39 E HN 0.343 8.703 8.360 0.000 0.000 0.394 40 I N 3.199 123.616 120.570 -0.254 0.000 2.382 40 I HA 0.256 4.425 4.170 -0.002 0.000 0.286 40 I C -0.953 175.000 176.117 -0.274 0.000 1.002 40 I CA -1.111 60.093 61.300 -0.161 0.000 1.135 40 I CB 0.612 38.542 38.000 -0.116 0.000 1.288 40 I HN 0.415 8.625 8.210 0.000 0.000 0.448 41 Y N 6.501 126.847 120.300 0.078 0.000 2.335 41 Y HA 0.543 5.091 4.550 -0.002 0.000 0.339 41 Y C 0.165 176.116 175.900 0.085 0.000 0.987 41 Y CA -0.471 57.676 58.100 0.078 0.000 1.140 41 Y CB 1.321 39.840 38.460 0.098 0.000 1.173 41 Y HN 0.385 8.665 8.280 0.000 0.000 0.486 42 I N 4.840 125.507 120.570 0.162 0.000 2.406 42 I HA 0.498 4.666 4.170 -0.002 0.000 0.290 42 I C -0.318 175.917 176.117 0.197 0.000 0.999 42 I CA -0.758 60.623 61.300 0.136 0.000 1.124 42 I CB 1.590 39.589 38.000 -0.001 0.000 1.289 42 I HN 0.501 8.711 8.210 0.000 0.000 0.441 43 R N 4.916 125.562 120.500 0.244 0.000 2.744 43 R HA 0.401 4.739 4.340 -0.002 0.000 0.279 43 R C -0.983 175.451 176.300 0.222 0.000 0.977 43 R CA -0.772 55.458 56.100 0.216 0.000 0.906 43 R CB 2.185 32.570 30.300 0.141 0.000 1.197 43 R HN 0.610 8.880 8.270 0.000 0.000 0.463 44 E N 0.957 121.236 120.200 0.133 0.000 2.299 44 E HA 0.360 4.709 4.350 -0.002 0.000 0.272 44 E C 0.080 176.642 176.600 -0.064 0.000 1.043 44 E CA 0.151 56.499 56.400 -0.088 0.000 0.895 44 E CB 1.190 30.847 29.700 -0.071 0.000 1.011 44 E HN 0.779 9.139 8.360 0.000 0.000 0.432 45 G N 1.173 109.899 108.800 -0.123 0.000 2.341 45 G HA2 0.179 4.138 3.960 -0.002 0.000 0.299 45 G HA3 0.179 4.138 3.960 -0.002 0.000 0.299 45 G C -1.207 173.658 174.900 -0.059 0.000 1.274 45 G CA -0.885 44.182 45.100 -0.055 0.000 0.853 45 G HN 0.343 8.633 8.290 0.000 0.000 0.493 46 V N 1.028 120.934 119.914 -0.014 0.000 2.583 46 V HA 0.347 4.465 4.120 -0.002 0.000 0.287 46 V C 0.858 176.978 176.094 0.044 0.000 1.051 46 V CA -0.436 61.866 62.300 0.003 0.000 1.010 46 V CB 1.295 33.125 31.823 0.012 0.000 0.988 46 V HN 0.742 8.932 8.190 0.000 0.000 0.478 47 L N 6.494 127.754 121.223 0.061 0.000 2.706 47 L HA 0.044 4.383 4.340 -0.002 0.000 0.282 47 L C 0.299 177.270 176.870 0.168 0.000 1.219 47 L CA 1.348 56.264 54.840 0.127 0.000 0.935 47 L CB -0.482 41.660 42.059 0.138 0.000 1.204 47 L HN 0.778 9.008 8.230 0.000 0.000 0.491 48 R N 3.320 123.923 120.500 0.172 0.000 2.563 48 R HA 0.559 4.897 4.340 -0.002 0.000 0.262 48 R C -2.101 174.275 176.300 0.126 0.000 1.128 48 R CA -0.674 55.497 56.100 0.118 0.000 0.969 48 R CB 1.494 31.843 30.300 0.082 0.000 1.251 48 R HN 0.368 8.638 8.270 0.000 0.000 0.442 49 V N 3.953 123.907 119.914 0.066 0.000 2.349 49 V HA 0.446 4.564 4.120 -0.002 0.000 0.284 49 V C -0.322 175.742 176.094 -0.050 0.000 1.014 49 V CA -0.673 61.651 62.300 0.041 0.000 0.826 49 V CB 1.413 33.296 31.823 0.101 0.000 1.009 49 V HN 0.653 8.843 8.190 0.000 0.000 0.431 50 E N 2.302 122.463 120.200 -0.066 0.000 2.277 50 E HA 0.697 5.045 4.350 -0.002 0.000 0.266 50 E C -0.417 175.840 176.600 -0.571 0.000 0.901 50 E CA -0.240 56.057 56.400 -0.172 0.000 0.782 50 E CB 2.897 32.634 29.700 0.063 0.000 1.228 50 E HN 0.796 9.156 8.360 0.000 0.000 0.424 51 T N -1.069 113.156 114.554 -0.548 0.000 2.926 51 T HA 0.272 4.621 4.350 -0.002 0.000 0.289 51 T C 0.766 175.157 174.700 -0.515 0.000 1.054 51 T CA -0.828 60.868 62.100 -0.674 0.000 1.015 51 T CB 0.902 69.586 68.868 -0.306 0.000 1.167 51 T HN 0.435 8.675 8.240 0.000 0.000 0.526 52 N N 0.548 119.072 118.700 -0.293 0.000 2.449 52 N HA 0.039 4.778 4.740 -0.002 0.000 0.191 52 N C 1.033 176.563 175.510 0.033 0.000 1.161 52 N CA 0.176 53.279 53.050 0.088 0.000 0.863 52 N CB -0.506 38.105 38.487 0.206 0.000 0.980 52 N HN 0.890 9.270 8.380 0.000 0.000 0.458 53 I N -6.193 114.357 120.570 -0.034 0.000 3.994 53 I HA 0.533 4.702 4.170 -0.002 0.000 0.323 53 I C 0.741 176.843 176.117 -0.024 0.000 1.501 53 I CA -0.400 60.889 61.300 -0.017 0.000 1.112 53 I CB 0.467 38.453 38.000 -0.023 0.000 1.254 53 I HN -0.061 8.149 8.210 0.000 0.000 0.495 54 G N 2.424 111.205 108.800 -0.031 0.000 2.147 54 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.244 54 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.244 54 G C 0.074 174.952 174.900 -0.035 0.000 1.005 54 G CA 0.128 45.214 45.100 -0.024 0.000 0.713 54 G HN 0.501 8.791 8.290 0.000 0.000 0.515 55 I N 1.920 122.458 120.570 -0.054 0.000 2.587 55 I HA 0.182 4.351 4.170 -0.002 0.000 0.284 55 I C -1.383 174.698 176.117 -0.059 0.000 1.134 55 I CA -1.551 59.718 61.300 -0.053 0.000 1.410 55 I CB 0.579 38.541 38.000 -0.063 0.000 1.392 55 I HN -0.055 8.155 8.210 0.000 0.000 0.545 56 P HA 0.018 4.438 4.420 0.000 0.000 0.271 56 P C 0.328 177.572 177.300 -0.093 0.000 1.216 56 P CA -0.280 62.782 63.100 -0.064 0.000 0.776 56 P CB 0.678 32.351 31.700 -0.044 0.000 0.881 57 Q N 1.707 121.412 119.800 -0.160 0.000 2.077 57 Q HA -0.266 4.072 4.340 -0.002 0.000 0.206 57 Q C 1.456 177.301 176.000 -0.258 0.000 0.989 57 Q CA 1.611 57.236 55.803 -0.297 0.000 0.853 57 Q CB -0.056 28.378 28.738 -0.506 0.000 0.907 57 Q HN 0.400 8.670 8.270 0.000 0.000 0.418 58 E N 0.360 120.458 120.200 -0.169 0.000 2.160 58 E HA -0.197 4.152 4.350 -0.002 0.000 0.195 58 E C 1.666 178.305 176.600 0.065 0.000 0.991 58 E CA 1.213 57.616 56.400 0.005 0.000 0.810 58 E CB -0.048 29.657 29.700 0.009 0.000 0.742 58 E HN 0.570 8.930 8.360 0.000 0.000 0.466 59 E N 0.596 120.809 120.200 0.020 0.000 2.371 59 E HA -0.032 4.317 4.350 -0.002 0.000 0.194 59 E C 0.831 177.457 176.600 0.042 0.000 1.012 59 E CA -0.177 56.241 56.400 0.030 0.000 0.860 59 E CB -0.068 29.637 29.700 0.008 0.000 0.811 59 E HN 0.063 8.423 8.360 0.000 0.000 0.502 60 N N 1.888 120.617 118.700 0.048 0.000 2.452 60 N HA -0.011 4.728 4.740 -0.002 0.000 0.266 60 N C 1.178 176.742 175.510 0.090 0.000 1.175 60 N CA 0.028 53.109 53.050 0.051 0.000 0.945 60 N CB 0.875 39.384 38.487 0.036 0.000 1.063 60 N HN 0.105 8.485 8.380 0.000 0.000 0.472 61 L N 3.436 124.689 121.223 0.049 0.000 2.081 61 L HA -0.234 4.105 4.340 -0.002 0.000 0.212 61 L C 2.087 178.986 176.870 0.048 0.000 1.080 61 L CA 1.108 55.975 54.840 0.045 0.000 0.754 61 L CB -0.373 41.700 42.059 0.023 0.000 0.893 61 L HN 0.417 8.647 8.230 0.000 0.000 0.433 62 V N -1.262 118.678 119.914 0.043 0.000 2.427 62 V HA -0.307 3.811 4.120 -0.002 0.000 0.248 62 V C 2.161 178.302 176.094 0.078 0.000 1.051 62 V CA 1.725 64.048 62.300 0.039 0.000 1.048 62 V CB -0.667 31.166 31.823 0.016 0.000 0.666 62 V HN 0.382 8.572 8.190 0.000 0.000 0.456 63 Y N 1.122 121.419 120.300 -0.004 0.000 2.153 63 Y HA -0.143 4.406 4.550 -0.002 0.000 0.289 63 Y C 2.480 178.393 175.900 0.022 0.000 1.127 63 Y CA 1.605 59.709 58.100 0.008 0.000 1.131 63 Y CB -0.235 38.227 38.460 0.003 0.000 0.995 63 Y HN 0.122 8.402 8.280 0.000 0.000 0.505 64 K N -0.204 120.225 120.400 0.049 0.000 2.015 64 K HA -0.253 4.066 4.320 -0.002 0.000 0.220 64 K C 2.343 178.908 176.600 -0.058 0.000 1.055 64 K CA 1.745 58.021 56.287 -0.019 0.000 0.951 64 K CB -1.116 31.413 32.500 0.050 0.000 0.725 64 K HN 0.511 8.761 8.250 0.000 0.000 0.449 65 G N 1.460 110.256 108.800 -0.007 0.000 2.505 65 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.220 65 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.220 65 G C 1.474 176.394 174.900 0.033 0.000 1.145 65 G CA 1.127 46.239 45.100 0.020 0.000 0.761 65 G HN 0.149 8.439 8.290 0.000 0.000 0.571 66 L N -0.514 120.685 121.223 -0.040 0.000 2.240 66 L HA 0.070 4.409 4.340 -0.002 0.000 0.211 66 L C 3.127 179.945 176.870 -0.086 0.000 1.106 66 L CA 0.303 55.111 54.840 -0.054 0.000 0.793 66 L CB -0.218 41.777 42.059 -0.107 0.000 0.927 66 L HN 0.065 8.295 8.230 0.000 0.000 0.446 67 R N 0.055 120.419 120.500 -0.226 0.000 2.073 67 R HA -0.148 4.191 4.340 -0.002 0.000 0.229 67 R C 2.069 178.339 176.300 -0.050 0.000 1.120 67 R CA 1.024 57.005 56.100 -0.198 0.000 0.967 67 R CB -0.327 29.788 30.300 -0.309 0.000 0.862 67 R HN 0.250 8.520 8.270 0.000 0.000 0.436 68 E N 0.393 120.580 120.200 -0.022 0.000 2.072 68 E HA -0.130 4.218 4.350 -0.002 0.000 0.191 68 E C 1.728 178.358 176.600 0.050 0.000 0.985 68 E CA 0.947 57.352 56.400 0.009 0.000 0.801 68 E CB -0.407 29.294 29.700 0.002 0.000 0.750 68 E HN 0.237 8.597 8.360 0.000 0.000 0.452 69 F N 1.308 121.226 119.950 -0.054 0.000 2.087 69 F HA -0.287 4.239 4.527 -0.002 0.000 0.299 69 F C 2.118 177.899 175.800 -0.032 0.000 1.100 69 F CA 2.135 60.112 58.000 -0.038 0.000 1.226 69 F CB -0.019 38.959 39.000 -0.036 0.000 0.983 69 F HN 0.107 8.407 8.300 0.000 0.000 0.479 70 E N -0.254 120.106 120.200 0.267 0.000 2.038 70 E HA -0.271 4.078 4.350 -0.002 0.000 0.195 70 E C 2.328 178.975 176.600 0.077 0.000 1.000 70 E CA 1.416 57.910 56.400 0.156 0.000 0.803 70 E CB -0.222 29.517 29.700 0.066 0.000 0.750 70 E HN 0.411 8.771 8.360 0.000 0.000 0.448 71 R N 0.405 120.926 120.500 0.036 0.000 2.113 71 R HA -0.173 4.166 4.340 -0.002 0.000 0.231 71 R C 2.454 178.745 176.300 -0.013 0.000 1.129 71 R CA 1.789 57.892 56.100 0.006 0.000 0.915 71 R CB -0.508 29.789 30.300 -0.005 0.000 0.837 71 R HN 0.217 8.487 8.270 0.000 0.000 0.430 72 I N -0.563 119.980 120.570 -0.045 0.000 2.700 72 I HA -0.199 3.969 4.170 -0.002 0.000 0.261 72 I C 2.110 178.164 176.117 -0.104 0.000 1.219 72 I CA 1.098 62.345 61.300 -0.087 0.000 1.463 72 I CB -0.200 37.719 38.000 -0.135 0.000 1.092 72 I HN 0.254 8.464 8.210 0.000 0.000 0.452 73 T N -0.792 113.713 114.554 -0.083 0.000 2.969 73 T HA 0.217 4.566 4.350 -0.002 0.000 0.250 73 T C 1.378 176.089 174.700 0.019 0.000 1.021 73 T CA 0.732 62.795 62.100 -0.061 0.000 1.003 73 T CB 0.165 68.976 68.868 -0.095 0.000 1.040 73 T HN 0.525 8.765 8.240 0.000 0.000 0.492 74 G N 1.784 110.605 108.800 0.035 0.000 2.187 74 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.261 74 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.261 74 G C 0.057 174.994 174.900 0.061 0.000 1.000 74 G CA 0.655 45.779 45.100 0.040 0.000 0.718 74 G HN 0.603 8.893 8.290 0.000 0.000 0.519 75 I N -0.111 120.523 120.570 0.107 0.000 2.460 75 I HA 0.388 4.556 4.170 -0.002 0.000 0.298 75 I C 0.425 176.599 176.117 0.096 0.000 0.989 75 I CA -0.754 60.612 61.300 0.110 0.000 1.173 75 I CB 1.818 39.916 38.000 0.163 0.000 1.338 75 I HN 0.076 8.286 8.210 0.000 0.000 0.456 76 E N 6.190 126.420 120.200 0.051 0.000 2.146 76 E HA 0.308 4.657 4.350 -0.002 0.000 0.282 76 E C -0.912 175.690 176.600 0.003 0.000 0.989 76 E CA -0.754 55.662 56.400 0.026 0.000 0.799 76 E CB 0.893 30.600 29.700 0.012 0.000 1.088 76 E HN 0.344 8.704 8.360 0.000 0.000 0.397 77 I N 3.681 124.249 120.570 -0.004 0.000 2.352 77 I HA 0.138 4.306 4.170 -0.002 0.000 0.290 77 I C -0.115 175.985 176.117 -0.028 0.000 1.036 77 I CA -0.165 61.129 61.300 -0.009 0.000 1.336 77 I CB 0.490 38.464 38.000 -0.044 0.000 1.407 77 I HN 0.479 8.689 8.210 0.000 0.000 0.497 78 N N 6.183 124.794 118.700 -0.148 0.000 3.040 78 N HA 0.326 5.064 4.740 -0.002 0.000 0.305 78 N C -1.451 173.742 175.510 -0.529 0.000 1.611 78 N CA -0.235 52.649 53.050 -0.277 0.000 1.049 78 N CB 0.420 38.729 38.487 -0.296 0.000 1.342 78 N HN 0.420 8.800 8.380 0.000 0.000 0.497 79 Y N -0.201 120.088 120.300 -0.018 0.000 2.373 79 Y HA 0.340 4.888 4.550 -0.002 0.000 0.336 79 Y C -0.016 175.901 175.900 0.029 0.000 0.979 79 Y CA -1.041 57.056 58.100 -0.005 0.000 1.080 79 Y CB 1.876 40.314 38.460 -0.036 0.000 1.190 79 Y HN 0.017 8.297 8.280 0.000 0.000 0.446 80 S N 5.040 120.847 115.700 0.180 0.000 2.422 80 S HA 0.574 5.042 4.470 -0.002 0.000 0.298 80 S C -0.776 173.934 174.600 0.184 0.000 1.118 80 S CA -0.598 57.694 58.200 0.152 0.000 1.083 80 S CB -0.289 62.977 63.200 0.110 0.000 0.971 80 S HN 0.455 8.765 8.310 0.000 0.000 0.478 81 I N 5.643 126.315 120.570 0.170 0.000 2.339 81 I HA 0.415 4.583 4.170 -0.002 0.000 0.290 81 I C -0.613 175.623 176.117 0.199 0.000 0.994 81 I CA -0.601 60.794 61.300 0.159 0.000 1.191 81 I CB 0.843 38.899 38.000 0.093 0.000 1.343 81 I HN 0.600 8.810 8.210 0.000 0.000 0.458 82 F N 7.342 127.350 119.950 0.097 0.000 2.467 82 F HA 0.601 5.126 4.527 -0.002 0.000 0.336 82 F C -0.428 175.441 175.800 0.116 0.000 1.123 82 F CA -0.609 57.448 58.000 0.094 0.000 0.964 82 F CB 1.336 40.388 39.000 0.087 0.000 1.136 82 F HN 0.251 8.551 8.300 0.000 0.000 0.447 83 I N 5.623 125.974 120.570 -0.364 0.000 2.355 83 I HA 0.274 4.443 4.170 -0.002 0.000 0.288 83 I C -0.750 175.222 176.117 -0.242 0.000 0.999 83 I CA -0.598 60.585 61.300 -0.194 0.000 1.163 83 I CB 1.645 39.529 38.000 -0.194 0.000 1.316 83 I HN 0.473 8.683 8.210 0.000 0.000 0.454 84 Q N 6.382 126.215 119.800 0.055 0.000 2.361 84 Q HA 0.234 4.573 4.340 -0.002 0.000 0.250 84 Q C -0.628 175.373 176.000 0.002 0.000 1.023 84 Q CA -0.638 55.230 55.803 0.109 0.000 0.915 84 Q CB 0.950 29.839 28.738 0.251 0.000 1.238 84 Q HN 0.304 8.574 8.270 0.000 0.000 0.451 85 K N 3.170 123.544 120.400 -0.043 0.000 2.171 85 K HA 0.110 4.428 4.320 -0.002 0.000 0.274 85 K C 0.155 176.722 176.600 -0.054 0.000 1.110 85 K CA -0.046 56.194 56.287 -0.077 0.000 0.952 85 K CB 0.242 32.690 32.500 -0.086 0.000 1.309 85 K HN 0.535 8.785 8.250 0.000 0.000 0.414 86 N N 1.404 120.048 118.700 -0.093 0.000 2.376 86 N HA -0.013 4.726 4.740 -0.002 0.000 0.177 86 N C 0.545 175.947 175.510 -0.180 0.000 1.024 86 N CA 0.523 53.529 53.050 -0.073 0.000 0.893 86 N CB 0.397 38.852 38.487 -0.053 0.000 0.980 86 N HN 0.409 8.789 8.380 0.000 0.000 0.439 87 I N 3.199 123.547 120.570 -0.370 0.000 2.322 87 I HA 0.189 4.358 4.170 -0.002 0.000 0.292 87 I C -2.325 173.729 176.117 -0.106 0.000 1.060 87 I CA -1.833 59.256 61.300 -0.351 0.000 1.309 87 I CB 0.977 38.704 38.000 -0.454 0.000 1.415 87 I HN -0.284 7.926 8.210 0.000 0.000 0.492 88 P HA 0.206 4.626 4.420 0.000 0.000 0.276 88 P C -2.442 174.854 177.300 -0.007 0.000 1.235 88 P CA -1.274 61.833 63.100 0.012 0.000 0.772 88 P CB -0.053 31.679 31.700 0.052 0.000 0.871 89 P HA 0.104 4.524 4.420 0.000 0.000 0.268 89 P C 1.008 178.297 177.300 -0.019 0.000 1.204 89 P CA 0.897 63.984 63.100 -0.022 0.000 0.768 89 P CB 0.190 31.875 31.700 -0.026 0.000 0.842 90 G N 2.307 111.098 108.800 -0.016 0.000 2.159 90 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.256 90 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.256 90 G C 0.899 175.777 174.900 -0.037 0.000 0.977 90 G CA 0.243 45.323 45.100 -0.033 0.000 0.652 90 G HN 0.724 9.014 8.290 0.000 0.000 0.531 91 A N -0.040 122.778 122.820 -0.004 0.000 2.218 91 A HA 0.581 4.900 4.320 -0.002 0.000 0.209 91 A C 2.426 180.029 177.584 0.032 0.000 1.168 91 A CA 1.688 53.732 52.037 0.012 0.000 0.804 91 A CB -0.373 18.656 19.000 0.049 0.000 0.834 91 A HN 2.419 10.569 8.150 0.000 0.000 0.482 92 G N -0.938 107.885 108.800 0.039 0.000 2.160 92 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.244 92 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.244 92 G C 0.371 175.325 174.900 0.089 0.000 1.022 92 G CA 0.486 45.624 45.100 0.063 0.000 0.741 92 G HN 0.593 8.883 8.290 0.000 0.000 0.508 93 L N -0.658 120.621 121.223 0.094 0.000 3.016 93 L HA 0.447 4.785 4.340 -0.002 0.000 0.267 93 L C 1.960 178.924 176.870 0.155 0.000 1.182 93 L CA 0.203 55.115 54.840 0.120 0.000 0.997 93 L CB 0.370 42.502 42.059 0.121 0.000 1.354 93 L HN 0.894 9.124 8.230 0.000 0.000 0.569 94 G N 0.697 109.584 108.800 0.144 0.000 2.225 94 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.267 94 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.267 94 G C 1.026 175.892 174.900 -0.056 0.000 1.024 94 G CA 0.386 45.592 45.100 0.176 0.000 0.784 94 G HN 0.488 8.778 8.290 0.000 0.000 0.507 95 G N 0.405 109.142 108.800 -0.105 0.000 2.476 95 G HA2 0.053 4.012 3.960 -0.002 0.000 0.218 95 G HA3 0.053 4.012 3.960 -0.002 0.000 0.218 95 G C 1.878 176.647 174.900 -0.218 0.000 1.164 95 G CA 1.735 46.706 45.100 -0.215 0.000 0.768 95 G HN 1.457 9.747 8.290 0.000 0.000 0.560 96 G N 0.382 109.107 108.800 -0.125 0.000 2.440 96 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.218 96 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.218 96 G C 2.141 176.980 174.900 -0.103 0.000 1.154 96 G CA 1.499 46.542 45.100 -0.095 0.000 0.767 96 G HN 0.450 8.740 8.290 0.000 0.000 0.552 97 S N 0.233 115.881 115.700 -0.087 0.000 2.387 97 S HA -0.070 4.398 4.470 -0.002 0.000 0.226 97 S C 2.530 177.019 174.600 -0.184 0.000 1.026 97 S CA 1.168 59.356 58.200 -0.020 0.000 0.972 97 S CB -0.241 63.060 63.200 0.168 0.000 0.814 97 S HN 0.401 8.711 8.310 0.000 0.000 0.477 98 S N 2.019 117.312 115.700 -0.678 0.000 2.359 98 S HA -0.158 4.311 4.470 -0.002 0.000 0.224 98 S C 1.685 176.031 174.600 -0.423 0.000 1.035 98 S CA 1.547 59.110 58.200 -1.063 0.000 1.018 98 S CB -0.638 61.733 63.200 -1.383 0.000 0.876 98 S HN 0.596 8.906 8.310 0.000 0.000 0.448 99 N N 0.664 119.184 118.700 -0.299 0.000 2.043 99 N HA -0.149 4.589 4.740 -0.002 0.000 0.193 99 N C 1.797 177.236 175.510 -0.118 0.000 1.037 99 N CA 1.475 54.416 53.050 -0.181 0.000 0.851 99 N CB -0.361 38.040 38.487 -0.145 0.000 1.027 99 N HN 0.294 8.674 8.380 0.000 0.000 0.422 100 L N 1.452 122.623 121.223 -0.087 0.000 1.971 100 L HA -0.214 4.125 4.340 -0.002 0.000 0.215 100 L C 2.215 179.074 176.870 -0.018 0.000 1.072 100 L CA 1.945 56.766 54.840 -0.032 0.000 0.758 100 L CB -0.839 41.218 42.059 -0.003 0.000 0.889 100 L HN 0.136 8.366 8.230 0.000 0.000 0.433 101 A N -0.708 122.105 122.820 -0.013 0.000 1.865 101 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 101 A C 2.382 179.960 177.584 -0.009 0.000 1.191 101 A CA 2.811 54.859 52.037 0.019 0.000 0.623 101 A CB -1.524 17.529 19.000 0.087 0.000 0.826 101 A HN 0.656 8.806 8.150 0.000 0.000 0.444 102 V N -2.181 117.705 119.914 -0.047 0.000 2.548 102 V HA -0.104 4.014 4.120 -0.002 0.000 0.249 102 V C 2.089 178.142 176.094 -0.067 0.000 1.055 102 V CA 2.174 64.441 62.300 -0.056 0.000 1.065 102 V CB -0.813 30.967 31.823 -0.072 0.000 0.681 102 V HN 0.200 8.390 8.190 0.000 0.000 0.462 103 V N -0.120 119.752 119.914 -0.071 0.000 2.407 103 V HA -0.082 4.037 4.120 -0.002 0.000 0.245 103 V C 2.578 178.622 176.094 -0.083 0.000 1.041 103 V CA 1.945 64.194 62.300 -0.086 0.000 1.040 103 V CB -0.495 31.284 31.823 -0.074 0.000 0.671 103 V HN 0.470 8.660 8.190 0.000 0.000 0.455 104 L N 0.136 121.342 121.223 -0.029 0.000 2.046 104 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 104 L C 2.438 179.337 176.870 0.048 0.000 1.077 104 L CA 1.953 56.813 54.840 0.034 0.000 0.747 104 L CB -0.775 41.343 42.059 0.099 0.000 0.896 104 L HN 0.269 8.499 8.230 0.000 0.000 0.432 105 K N -0.373 120.037 120.400 0.016 0.000 2.032 105 K HA -0.283 4.035 4.320 -0.002 0.000 0.209 105 K C 2.277 178.861 176.600 -0.027 0.000 1.048 105 K CA 1.714 58.005 56.287 0.007 0.000 0.927 105 K CB 0.012 32.507 32.500 -0.010 0.000 0.712 105 K HN -0.016 8.234 8.250 0.000 0.000 0.441 106 K N 0.451 120.807 120.400 -0.073 0.000 2.002 106 K HA -0.081 4.237 4.320 -0.002 0.000 0.209 106 K C 1.843 178.333 176.600 -0.184 0.000 1.048 106 K CA 1.490 57.705 56.287 -0.121 0.000 0.930 106 K CB -0.412 32.000 32.500 -0.147 0.000 0.714 106 K HN 0.013 8.263 8.250 0.000 0.000 0.438 107 V N 1.498 121.259 119.914 -0.256 0.000 2.392 107 V HA -0.248 3.870 4.120 -0.002 0.000 0.249 107 V C 2.125 178.061 176.094 -0.263 0.000 1.059 107 V CA 2.136 64.195 62.300 -0.401 0.000 1.051 107 V CB -0.822 30.706 31.823 -0.491 0.000 0.658 107 V HN 0.512 8.702 8.190 0.000 0.000 0.455 108 N N 0.158 118.826 118.700 -0.053 0.000 2.166 108 N HA -0.188 4.550 4.740 -0.002 0.000 0.186 108 N C 1.779 177.343 175.510 0.089 0.000 1.019 108 N CA 1.714 54.884 53.050 0.199 0.000 0.856 108 N CB -0.050 38.620 38.487 0.306 0.000 0.993 108 N HN 0.598 8.978 8.380 0.000 0.000 0.426 109 E N -0.060 120.146 120.200 0.010 0.000 2.028 109 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 109 E C 1.903 178.490 176.600 -0.021 0.000 0.988 109 E CA 0.954 57.349 56.400 -0.007 0.000 0.799 109 E CB -0.170 29.514 29.700 -0.026 0.000 0.755 109 E HN 0.355 8.715 8.360 0.000 0.000 0.447 110 L N 0.700 121.879 121.223 -0.074 0.000 2.349 110 L HA -0.152 4.186 4.340 -0.002 0.000 0.220 110 L C 1.554 178.430 176.870 0.008 0.000 1.130 110 L CA 0.689 55.490 54.840 -0.065 0.000 0.791 110 L CB -0.124 41.817 42.059 -0.196 0.000 0.918 110 L HN 0.151 8.381 8.230 0.000 0.000 0.444 111 L N -0.516 120.715 121.223 0.013 0.000 2.928 111 L HA 0.308 4.647 4.340 -0.002 0.000 0.246 111 L C 1.224 178.136 176.870 0.071 0.000 1.239 111 L CA 0.097 54.973 54.840 0.061 0.000 1.035 111 L CB -0.001 42.099 42.059 0.068 0.000 1.360 111 L HN 0.320 8.550 8.230 0.000 0.000 0.529 112 G N -0.624 108.204 108.800 0.047 0.000 2.155 112 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.257 112 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.257 112 G C 0.550 175.477 174.900 0.046 0.000 0.983 112 G CA 0.251 45.375 45.100 0.040 0.000 0.676 112 G HN 0.364 8.654 8.290 0.000 0.000 0.528 113 S N -0.884 114.855 115.700 0.064 0.000 3.797 113 S HA -0.172 4.297 4.470 -0.002 0.000 0.374 113 S C -0.021 174.609 174.600 0.050 0.000 0.970 113 S CA 0.857 59.094 58.200 0.061 0.000 1.177 113 S CB -0.780 62.438 63.200 0.030 0.000 0.891 113 S HN 0.729 9.039 8.310 0.000 0.000 0.491 114 P HA -0.091 4.329 4.420 0.000 0.000 0.214 114 P C 0.697 177.973 177.300 -0.039 0.000 1.163 114 P CA 1.096 64.211 63.100 0.026 0.000 0.889 114 P CB -0.027 31.708 31.700 0.058 0.000 0.790 115 L N -0.611 120.563 121.223 -0.082 0.000 2.418 115 L HA 0.217 4.556 4.340 -0.002 0.000 0.265 115 L C 0.973 177.809 176.870 -0.056 0.000 1.143 115 L CA -0.364 54.402 54.840 -0.123 0.000 0.809 115 L CB 0.435 42.357 42.059 -0.229 0.000 1.124 115 L HN -0.103 8.127 8.230 0.000 0.000 0.456 116 S N -0.159 115.507 115.700 -0.056 0.000 2.687 116 S HA 0.105 4.573 4.470 -0.002 0.000 0.283 116 S C 0.918 175.500 174.600 -0.031 0.000 1.170 116 S CA -0.617 57.562 58.200 -0.034 0.000 1.008 116 S CB 1.750 64.931 63.200 -0.031 0.000 1.026 116 S HN 0.706 9.016 8.310 0.000 0.000 0.541 117 E N 1.180 121.367 120.200 -0.021 0.000 2.108 117 E HA -0.284 4.065 4.350 -0.002 0.000 0.203 117 E C 1.574 178.161 176.600 -0.022 0.000 1.022 117 E CA 2.234 58.623 56.400 -0.019 0.000 0.823 117 E CB -0.032 29.658 29.700 -0.017 0.000 0.744 117 E HN 0.756 9.116 8.360 0.000 0.000 0.456 118 E N -0.163 120.022 120.200 -0.024 0.000 2.208 118 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 118 E C 1.845 178.426 176.600 -0.031 0.000 0.988 118 E CA 0.988 57.374 56.400 -0.024 0.000 0.828 118 E CB -0.100 29.587 29.700 -0.022 0.000 0.763 118 E HN 0.387 8.747 8.360 0.000 0.000 0.478 119 E N 1.092 121.266 120.200 -0.043 0.000 2.033 119 E HA -0.119 4.230 4.350 -0.002 0.000 0.189 119 E C 2.158 178.720 176.600 -0.064 0.000 0.979 119 E CA 0.561 56.925 56.400 -0.061 0.000 0.802 119 E CB -0.192 29.457 29.700 -0.086 0.000 0.763 119 E HN 0.094 8.454 8.360 0.000 0.000 0.449 120 L N 2.016 123.204 121.223 -0.059 0.000 2.021 120 L HA -0.247 4.092 4.340 -0.002 0.000 0.215 120 L C 2.507 179.366 176.870 -0.018 0.000 1.074 120 L CA 1.850 56.667 54.840 -0.038 0.000 0.760 120 L CB -0.335 41.717 42.059 -0.012 0.000 0.889 120 L HN -0.003 8.227 8.230 0.000 0.000 0.433 121 R N -0.831 119.659 120.500 -0.017 0.000 2.073 121 R HA -0.226 4.113 4.340 -0.002 0.000 0.234 121 R C 2.274 178.571 176.300 -0.006 0.000 1.134 121 R CA 1.652 57.748 56.100 -0.007 0.000 0.952 121 R CB -0.249 30.045 30.300 -0.010 0.000 0.850 121 R HN 0.458 8.728 8.270 0.000 0.000 0.433 122 E N 0.930 121.120 120.200 -0.017 0.000 2.077 122 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 122 E C 1.951 178.541 176.600 -0.016 0.000 0.989 122 E CA 1.231 57.620 56.400 -0.018 0.000 0.800 122 E CB -0.368 29.315 29.700 -0.028 0.000 0.746 122 E HN 0.395 8.755 8.360 0.000 0.000 0.452 123 L N 0.025 121.232 121.223 -0.027 0.000 1.943 123 L HA -0.193 4.146 4.340 -0.002 0.000 0.215 123 L C 2.547 179.420 176.870 0.006 0.000 1.074 123 L CA 2.126 56.953 54.840 -0.022 0.000 0.759 123 L CB -0.612 41.420 42.059 -0.046 0.000 0.888 123 L HN 0.317 8.547 8.230 0.000 0.000 0.433 124 V N -1.830 118.094 119.914 0.018 0.000 2.469 124 V HA -0.147 3.972 4.120 -0.002 0.000 0.251 124 V C 2.276 178.396 176.094 0.043 0.000 1.064 124 V CA 1.871 64.193 62.300 0.036 0.000 1.066 124 V CB -1.864 29.986 31.823 0.045 0.000 0.667 124 V HN 0.546 8.736 8.190 0.000 0.000 0.461 125 G N 0.693 109.513 108.800 0.033 0.000 2.432 125 G HA2 -0.261 3.697 3.960 -0.002 0.000 0.219 125 G HA3 -0.261 3.697 3.960 -0.002 0.000 0.219 125 G C 1.844 176.767 174.900 0.037 0.000 1.135 125 G CA 1.485 46.608 45.100 0.038 0.000 0.767 125 G HN 0.882 9.172 8.290 0.000 0.000 0.550 126 S N 0.369 116.084 115.700 0.025 0.000 2.399 126 S HA -0.017 4.452 4.470 -0.002 0.000 0.231 126 S C 2.249 176.874 174.600 0.043 0.000 1.022 126 S CA 1.185 59.399 58.200 0.024 0.000 0.983 126 S CB -0.272 62.934 63.200 0.010 0.000 0.803 126 S HN 0.362 8.672 8.310 0.000 0.000 0.480 127 I N 0.086 120.685 120.570 0.048 0.000 2.731 127 I HA 0.202 4.371 4.170 -0.002 0.000 0.260 127 I C 1.030 177.192 176.117 0.075 0.000 1.138 127 I CA 0.300 61.634 61.300 0.057 0.000 1.461 127 I CB 0.222 38.250 38.000 0.047 0.000 1.128 127 I HN 0.249 8.459 8.210 0.000 0.000 0.438 128 S N -0.795 114.954 115.700 0.082 0.000 2.546 128 S HA 0.666 5.135 4.470 -0.002 0.000 0.272 128 S C 0.209 174.879 174.600 0.117 0.000 1.140 128 S CA -0.261 58.002 58.200 0.105 0.000 0.920 128 S CB 1.804 65.066 63.200 0.103 0.000 1.083 128 S HN 0.145 8.455 8.310 0.000 0.000 0.476 129 A N 3.275 126.180 122.820 0.142 0.000 2.044 129 A HA 0.169 4.487 4.320 -0.002 0.000 0.213 129 A C 1.294 178.972 177.584 0.157 0.000 1.169 129 A CA 1.484 53.609 52.037 0.147 0.000 0.724 129 A CB -0.975 18.138 19.000 0.187 0.000 0.840 129 A HN 0.955 9.105 8.150 0.000 0.000 0.463 130 D N 1.506 122.007 120.400 0.168 0.000 3.725 130 D HA -0.400 4.239 4.640 -0.002 0.000 0.413 130 D C 1.707 178.086 176.300 0.131 0.000 1.205 130 D CA 2.591 56.665 54.000 0.124 0.000 1.211 130 D CB -1.173 39.758 40.800 0.219 0.000 0.901 130 D HN 0.514 8.884 8.370 0.000 0.000 0.578 131 A N 0.307 123.235 122.820 0.179 0.000 1.986 131 A HA -0.116 4.203 4.320 -0.002 0.000 0.220 131 A C 0.068 177.753 177.584 0.168 0.000 1.171 131 A CA 2.310 54.481 52.037 0.224 0.000 0.640 131 A CB -1.502 17.580 19.000 0.137 0.000 0.811 131 A HN 0.503 8.653 8.150 0.000 0.000 0.451 132 P HA -0.043 4.377 4.420 0.000 0.000 0.231 132 P C 1.328 178.587 177.300 -0.068 0.000 1.168 132 P CA 0.409 63.520 63.100 0.017 0.000 0.779 132 P CB -0.235 31.478 31.700 0.020 0.000 0.844 133 F N 0.796 120.567 119.950 -0.299 0.000 2.192 133 F HA -0.177 4.349 4.527 -0.002 0.000 0.301 133 F C 1.465 176.984 175.800 -0.468 0.000 1.079 133 F CA 1.474 59.155 58.000 -0.532 0.000 1.303 133 F CB -0.876 37.456 39.000 -1.114 0.000 1.024 133 F HN -0.264 8.036 8.300 0.000 0.000 0.494 134 F N -0.042 119.703 119.950 -0.341 0.000 2.710 134 F HA 0.075 4.600 4.527 -0.002 0.000 0.298 134 F C 1.838 177.470 175.800 -0.280 0.000 1.137 134 F CA 0.414 58.201 58.000 -0.356 0.000 1.444 134 F CB -0.571 38.346 39.000 -0.139 0.000 1.111 134 F HN -0.055 8.245 8.300 0.000 0.000 0.580 135 L N -0.172 120.987 121.223 -0.106 0.000 2.395 135 L HA -0.102 4.237 4.340 -0.002 0.000 0.218 135 L C 1.897 178.678 176.870 -0.149 0.000 1.130 135 L CA 0.904 55.689 54.840 -0.091 0.000 0.826 135 L CB -0.393 41.635 42.059 -0.051 0.000 0.941 135 L HN 0.263 8.493 8.230 0.000 0.000 0.451 136 L N -4.087 116.970 121.223 -0.276 0.000 2.526 136 L HA 0.623 4.962 4.340 -0.002 0.000 0.210 136 L C 1.327 177.986 176.870 -0.352 0.000 1.048 136 L CA 0.320 55.004 54.840 -0.260 0.000 0.852 136 L CB -0.877 41.064 42.059 -0.196 0.000 1.128 136 L HN 0.085 8.315 8.230 0.000 0.000 0.482 137 G N 1.099 109.446 108.800 -0.755 0.000 2.562 137 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.250 137 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.250 137 G C 0.083 174.801 174.900 -0.302 0.000 1.269 137 G CA 0.407 45.075 45.100 -0.720 0.000 0.919 137 G HN 0.671 8.961 8.290 0.000 0.000 0.574 138 K N -2.492 117.892 120.400 -0.027 0.000 1.779 138 K HA -0.193 4.126 4.320 -0.002 0.000 0.128 138 K C 0.568 177.317 176.600 0.250 0.000 1.288 138 K CA 1.978 58.324 56.287 0.098 0.000 0.398 138 K CB -1.735 30.794 32.500 0.049 0.000 0.609 138 K HN 1.588 9.838 8.250 0.000 0.000 0.874 139 S N 0.264 116.088 115.700 0.207 0.000 2.502 139 S HA 0.764 5.232 4.470 -0.002 0.000 0.304 139 S C -1.035 173.713 174.600 0.246 0.000 1.097 139 S CA -0.431 57.903 58.200 0.223 0.000 1.045 139 S CB 2.126 65.392 63.200 0.110 0.000 1.019 139 S HN 0.688 8.998 8.310 0.000 0.000 0.481 140 A N 2.518 125.516 122.820 0.296 0.000 2.486 140 A HA 0.756 5.075 4.320 -0.002 0.000 0.300 140 A C -0.723 176.954 177.584 0.154 0.000 1.048 140 A CA -0.834 51.355 52.037 0.253 0.000 0.696 140 A CB 0.749 19.985 19.000 0.394 0.000 1.278 140 A HN 0.809 8.959 8.150 0.000 0.000 0.405 141 I N 1.714 122.339 120.570 0.091 0.000 2.496 141 I HA 0.402 4.571 4.170 -0.002 0.000 0.285 141 I C 1.037 177.194 176.117 0.067 0.000 1.080 141 I CA 0.261 61.575 61.300 0.023 0.000 1.404 141 I CB 1.240 39.245 38.000 0.008 0.000 1.403 141 I HN 0.695 8.905 8.210 0.000 0.000 0.539 142 G N 6.421 115.197 108.800 -0.041 0.000 2.368 142 G HA2 0.678 4.636 3.960 -0.002 0.000 0.320 142 G HA3 0.678 4.636 3.960 -0.002 0.000 0.320 142 G C -0.443 174.479 174.900 0.036 0.000 1.158 142 G CA -0.625 44.518 45.100 0.071 0.000 0.912 142 G HN 0.600 8.890 8.290 0.000 0.000 0.456 143 R N 0.927 121.472 120.500 0.075 0.000 2.950 143 R HA 0.816 5.155 4.340 -0.002 0.000 0.253 143 R C 0.950 177.291 176.300 0.068 0.000 1.168 143 R CA -0.200 55.936 56.100 0.059 0.000 1.014 143 R CB 1.438 31.761 30.300 0.039 0.000 1.228 143 R HN 0.996 9.266 8.270 0.000 0.000 0.487 144 G N 0.993 109.824 108.800 0.050 0.000 2.950 144 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.299 144 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.299 144 G C 0.268 175.200 174.900 0.053 0.000 1.310 144 G CA 0.579 45.699 45.100 0.034 0.000 0.994 144 G HN 0.511 8.801 8.290 0.000 0.000 0.575 145 K N 1.337 121.774 120.400 0.061 0.000 2.447 145 K HA 0.471 4.790 4.320 -0.002 0.000 0.205 145 K C 1.323 178.021 176.600 0.163 0.000 1.059 145 K CA 0.762 57.113 56.287 0.107 0.000 1.065 145 K CB 1.389 33.915 32.500 0.043 0.000 0.885 145 K HN 1.723 9.973 8.250 0.000 0.000 0.545 146 G N 1.937 110.835 108.800 0.164 0.000 2.336 146 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.194 146 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.194 146 G C 0.879 175.942 174.900 0.272 0.000 0.999 146 G CA 0.221 45.479 45.100 0.264 0.000 0.669 146 G HN 0.327 8.617 8.290 0.000 0.000 0.482 147 E N 1.223 121.518 120.200 0.158 0.000 2.285 147 E HA 0.097 4.446 4.350 -0.002 0.000 0.194 147 E C 0.769 177.426 176.600 0.095 0.000 0.997 147 E CA 1.048 57.514 56.400 0.109 0.000 0.845 147 E CB -0.210 29.527 29.700 0.063 0.000 0.782 147 E HN 0.501 8.861 8.360 0.000 0.000 0.491 148 V N 2.742 122.712 119.914 0.093 0.000 2.353 148 V HA 0.262 4.381 4.120 -0.002 0.000 0.264 148 V C 0.200 176.352 176.094 0.096 0.000 1.049 148 V CA -0.254 62.089 62.300 0.071 0.000 0.896 148 V CB 0.402 32.252 31.823 0.046 0.000 1.025 148 V HN 0.110 8.300 8.190 0.000 0.000 0.475 149 L N 4.441 125.721 121.223 0.095 0.000 2.329 149 L HA 0.630 4.969 4.340 -0.002 0.000 0.279 149 L C 0.057 176.981 176.870 0.091 0.000 1.014 149 L CA -0.249 54.667 54.840 0.127 0.000 0.814 149 L CB 2.111 44.257 42.059 0.146 0.000 1.257 149 L HN 0.632 8.862 8.230 0.000 0.000 0.424 150 E N 4.758 125.016 120.200 0.097 0.000 2.235 150 E HA 0.384 4.732 4.350 -0.002 0.000 0.252 150 E C -2.563 174.085 176.600 0.080 0.000 0.886 150 E CA -1.994 54.446 56.400 0.067 0.000 0.767 150 E CB 1.899 31.625 29.700 0.042 0.000 1.205 150 E HN 0.213 8.573 8.360 0.000 0.000 0.421 151 P HA -0.022 4.398 4.420 0.000 0.000 0.268 151 P C -0.805 176.528 177.300 0.054 0.000 1.204 151 P CA -0.056 63.088 63.100 0.073 0.000 0.768 151 P CB 0.750 32.477 31.700 0.046 0.000 0.842 152 V N -0.088 119.862 119.914 0.060 0.000 3.040 152 V HA 0.606 4.725 4.120 -0.002 0.000 0.312 152 V C -0.526 175.590 176.094 0.037 0.000 1.115 152 V CA -0.965 61.358 62.300 0.038 0.000 0.998 152 V CB 2.606 34.446 31.823 0.029 0.000 1.042 152 V HN 0.213 8.403 8.190 0.000 0.000 0.433 153 E N 1.105 121.319 120.200 0.023 0.000 2.151 153 E HA 0.544 4.892 4.350 -0.002 0.000 0.275 153 E C -0.696 175.911 176.600 0.012 0.000 0.936 153 E CA -0.209 56.202 56.400 0.019 0.000 0.777 153 E CB 2.053 31.761 29.700 0.013 0.000 1.108 153 E HN 0.859 9.219 8.360 0.000 0.000 0.401 154 T N 2.153 116.715 114.554 0.013 0.000 2.929 154 T HA 0.196 4.544 4.350 -0.002 0.000 0.284 154 T C 0.519 175.216 174.700 -0.005 0.000 1.014 154 T CA -0.514 61.587 62.100 0.003 0.000 1.051 154 T CB 0.780 69.654 68.868 0.011 0.000 1.028 154 T HN 0.224 8.464 8.240 0.000 0.000 0.485 155 E N 2.167 122.356 120.200 -0.020 0.000 2.437 155 E HA 0.230 4.578 4.350 -0.002 0.000 0.195 155 E C -0.132 176.444 176.600 -0.040 0.000 1.029 155 E CA -0.047 56.339 56.400 -0.024 0.000 0.948 155 E CB 0.082 29.766 29.700 -0.027 0.000 1.082 155 E HN 0.547 8.907 8.360 0.000 0.000 0.456 156 I N 1.526 122.071 120.570 -0.040 0.000 2.342 156 I HA 0.098 4.267 4.170 -0.002 0.000 0.291 156 I C 0.555 176.665 176.117 -0.012 0.000 1.010 156 I CA -0.189 61.074 61.300 -0.063 0.000 1.308 156 I CB 1.051 39.009 38.000 -0.070 0.000 1.400 156 I HN -0.083 8.127 8.210 0.000 0.000 0.488 157 S N 4.035 119.730 115.700 -0.008 0.000 2.656 157 S HA 0.962 5.430 4.470 -0.002 0.000 0.273 157 S C -0.317 174.319 174.600 0.059 0.000 1.168 157 S CA -0.143 58.076 58.200 0.032 0.000 0.817 157 S CB 1.720 64.934 63.200 0.023 0.000 1.146 157 S HN 1.341 9.651 8.310 0.000 0.000 0.475 158 G N 0.846 109.687 108.800 0.067 0.000 2.582 158 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.222 158 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.222 158 G C -1.167 173.788 174.900 0.092 0.000 1.311 158 G CA -0.496 44.651 45.100 0.079 0.000 0.915 158 G HN 0.922 9.212 8.290 0.000 0.000 0.528 159 K N -0.286 120.165 120.400 0.085 0.000 2.451 159 K HA 0.463 4.782 4.320 -0.002 0.000 0.280 159 K C 0.259 176.873 176.600 0.025 0.000 1.020 159 K CA 0.360 56.665 56.287 0.030 0.000 1.008 159 K CB 0.982 33.489 32.500 0.011 0.000 0.917 159 K HN 0.575 8.825 8.250 0.000 0.000 0.478 160 I N 1.746 122.250 120.570 -0.110 0.000 2.545 160 I HA 0.249 4.418 4.170 -0.002 0.000 0.292 160 I C -1.080 174.767 176.117 -0.449 0.000 1.040 160 I CA -0.308 60.813 61.300 -0.299 0.000 1.068 160 I CB 2.053 39.891 38.000 -0.270 0.000 1.251 160 I HN 0.491 8.701 8.210 0.000 0.000 0.424 161 T N 7.637 121.733 114.554 -0.762 0.000 2.807 161 T HA 0.537 4.886 4.350 -0.002 0.000 0.279 161 T C -0.471 173.859 174.700 -0.617 0.000 0.993 161 T CA -0.469 61.159 62.100 -0.787 0.000 0.970 161 T CB 1.361 69.546 68.868 -1.138 0.000 0.950 161 T HN 0.329 8.569 8.240 0.000 0.000 0.441 162 L N 2.820 123.819 121.223 -0.373 0.000 2.309 162 L HA 0.738 5.077 4.340 -0.002 0.000 0.282 162 L C -0.638 176.152 176.870 -0.133 0.000 1.036 162 L CA -1.127 53.584 54.840 -0.216 0.000 0.806 162 L CB 1.539 43.454 42.059 -0.240 0.000 1.220 162 L HN 0.311 8.541 8.230 0.000 0.000 0.429 163 V N 4.757 124.634 119.914 -0.062 0.000 2.380 163 V HA 0.410 4.529 4.120 -0.002 0.000 0.286 163 V C -0.137 175.881 176.094 -0.127 0.000 1.015 163 V CA -0.227 62.041 62.300 -0.054 0.000 0.834 163 V CB 1.632 33.437 31.823 -0.031 0.000 1.009 163 V HN 0.522 8.712 8.190 0.000 0.000 0.428 164 I N 7.763 128.289 120.570 -0.072 0.000 2.354 164 I HA 0.418 4.586 4.170 -0.002 0.000 0.286 164 I C -2.193 173.888 176.117 -0.060 0.000 1.007 164 I CA -1.913 59.350 61.300 -0.063 0.000 1.167 164 I CB 2.159 40.166 38.000 0.013 0.000 1.320 164 I HN 0.380 8.590 8.210 0.000 0.000 0.458 165 P HA 0.118 4.538 4.420 0.000 0.000 0.276 165 P C -0.555 176.777 177.300 0.054 0.000 1.252 165 P CA -0.407 62.656 63.100 -0.062 0.000 0.802 165 P CB 0.863 32.438 31.700 -0.209 0.000 1.035 166 Q N -0.324 119.557 119.800 0.136 0.000 2.239 166 Q HA 0.191 4.530 4.340 -0.002 0.000 0.219 166 Q C 0.189 176.205 176.000 0.025 0.000 0.901 166 Q CA -0.203 55.645 55.803 0.075 0.000 0.949 166 Q CB 0.099 28.890 28.738 0.088 0.000 1.038 166 Q HN 0.184 8.454 8.270 0.000 0.000 0.458 167 V N 0.086 119.990 119.914 -0.017 0.000 2.539 167 V HA 0.319 4.437 4.120 -0.002 0.000 0.292 167 V C -0.462 175.529 176.094 -0.172 0.000 1.045 167 V CA -0.347 61.896 62.300 -0.094 0.000 0.945 167 V CB 1.939 33.691 31.823 -0.117 0.000 0.993 167 V HN 0.090 8.280 8.190 0.000 0.000 0.464 168 S N 4.963 120.547 115.700 -0.193 0.000 2.404 168 S HA 0.316 4.785 4.470 -0.002 0.000 0.309 168 S C 0.028 174.409 174.600 -0.365 0.000 1.076 168 S CA -0.237 57.848 58.200 -0.193 0.000 1.095 168 S CB 0.611 63.754 63.200 -0.096 0.000 0.972 168 S HN 1.063 9.373 8.310 0.000 0.000 0.484 169 S N 4.248 119.698 115.700 -0.416 0.000 2.498 169 S HA 0.184 4.652 4.470 -0.002 0.000 0.281 169 S C 0.237 174.755 174.600 -0.136 0.000 1.265 169 S CA -0.280 57.623 58.200 -0.496 0.000 1.071 169 S CB 0.222 63.258 63.200 -0.272 0.000 0.894 169 S HN 0.779 9.089 8.310 0.000 0.000 0.491 170 S N 4.060 119.776 115.700 0.027 0.000 2.422 170 S HA 0.179 4.648 4.470 -0.002 0.000 0.283 170 S C 1.719 176.405 174.600 0.142 0.000 1.163 170 S CA -0.121 58.147 58.200 0.113 0.000 1.054 170 S CB 0.325 63.625 63.200 0.166 0.000 0.967 170 S HN 0.950 9.260 8.310 0.000 0.000 0.499 171 T N 3.133 117.757 114.554 0.117 0.000 2.788 171 T HA -0.040 4.309 4.350 -0.002 0.000 0.268 171 T C 2.014 176.856 174.700 0.237 0.000 1.044 171 T CA 1.362 63.563 62.100 0.168 0.000 1.139 171 T CB -0.980 68.007 68.868 0.198 0.000 0.867 171 T HN 0.666 8.906 8.240 0.000 0.000 0.454 172 G N 1.374 110.271 108.800 0.163 0.000 2.421 172 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 172 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 172 G C 1.757 176.737 174.900 0.134 0.000 1.171 172 G CA 0.774 45.955 45.100 0.135 0.000 0.775 172 G HN 0.591 8.881 8.290 0.000 0.000 0.543 173 R N -0.172 120.395 120.500 0.112 0.000 2.120 173 R HA -0.008 4.331 4.340 -0.002 0.000 0.234 173 R C 2.537 178.862 176.300 0.042 0.000 1.123 173 R CA 1.246 57.391 56.100 0.075 0.000 0.975 173 R CB -0.253 30.096 30.300 0.083 0.000 0.866 173 R HN 0.269 8.539 8.270 0.000 0.000 0.446 174 V N -0.069 119.879 119.914 0.057 0.000 2.270 174 V HA -0.233 3.886 4.120 -0.002 0.000 0.245 174 V C 1.715 177.748 176.094 -0.102 0.000 1.043 174 V CA 1.696 63.965 62.300 -0.050 0.000 1.014 174 V CB -0.680 31.094 31.823 -0.082 0.000 0.645 174 V HN 0.341 8.531 8.190 0.000 0.000 0.447 175 Y N 0.627 120.901 120.300 -0.044 0.000 2.384 175 Y HA -0.186 4.363 4.550 -0.002 0.000 0.289 175 Y C 2.669 178.567 175.900 -0.002 0.000 1.152 175 Y CA 1.457 59.514 58.100 -0.072 0.000 1.258 175 Y CB -0.259 38.168 38.460 -0.056 0.000 0.979 175 Y HN 0.194 8.474 8.280 0.000 0.000 0.549 176 S N -1.793 113.991 115.700 0.140 0.000 2.527 176 S HA -0.076 4.393 4.470 -0.002 0.000 0.222 176 S C 1.892 176.531 174.600 0.065 0.000 0.985 176 S CA 0.767 59.033 58.200 0.110 0.000 0.921 176 S CB -0.040 63.206 63.200 0.077 0.000 0.772 176 S HN 0.252 8.562 8.310 0.000 0.000 0.529 177 S N 1.000 116.709 115.700 0.014 0.000 2.575 177 S HA 0.291 4.760 4.470 -0.002 0.000 0.215 177 S C 0.279 174.901 174.600 0.037 0.000 0.966 177 S CA -0.251 57.946 58.200 -0.005 0.000 0.911 177 S CB -0.078 63.081 63.200 -0.069 0.000 0.780 177 S HN 0.203 8.513 8.310 0.000 0.000 0.514 178 L N 2.807 124.060 121.223 0.049 0.000 2.490 178 L HA 0.245 4.584 4.340 -0.002 0.000 0.274 178 L C 0.579 177.560 176.870 0.185 0.000 1.201 178 L CA 0.937 55.870 54.840 0.156 0.000 0.869 178 L CB 0.035 42.183 42.059 0.148 0.000 1.123 178 L HN 0.154 8.384 8.230 0.000 0.000 0.484 179 R N 2.463 123.042 120.500 0.133 0.000 2.930 179 R HA 0.291 4.630 4.340 -0.002 0.000 0.257 179 R C 0.840 176.714 176.300 -0.709 0.000 1.107 179 R CA -0.673 55.272 56.100 -0.258 0.000 0.999 179 R CB 1.163 31.258 30.300 -0.341 0.000 1.209 179 R HN 0.741 9.011 8.270 0.000 0.000 0.486 180 E N 0.746 120.618 120.200 -0.548 0.000 2.118 180 E HA -0.257 4.091 4.350 -0.002 0.000 0.195 180 E C 1.376 177.587 176.600 -0.648 0.000 0.992 180 E CA 1.905 57.940 56.400 -0.608 0.000 0.804 180 E CB 0.079 29.691 29.700 -0.147 0.000 0.741 180 E HN 0.629 8.989 8.360 0.000 0.000 0.458 181 E N 0.578 120.445 120.200 -0.555 0.000 2.267 181 E HA -0.241 4.108 4.350 -0.002 0.000 0.197 181 E C 1.282 177.623 176.600 -0.432 0.000 0.998 181 E CA 1.398 57.525 56.400 -0.456 0.000 0.830 181 E CB -0.402 29.028 29.700 -0.451 0.000 0.751 181 E HN 0.566 8.926 8.360 0.000 0.000 0.491 182 H N -0.499 118.363 119.070 -0.345 0.000 2.535 182 H HA 0.113 4.668 4.556 -0.002 0.000 0.273 182 H C -0.036 175.290 175.328 -0.004 0.000 0.983 182 H CA -0.220 55.711 56.048 -0.196 0.000 1.238 182 H CB 0.039 29.679 29.762 -0.203 0.000 1.412 182 H HN 0.057 8.337 8.280 0.000 0.000 0.562 183 F N 1.440 121.474 119.950 0.139 0.000 2.389 183 F HA 0.288 4.813 4.527 -0.002 0.000 0.337 183 F C 0.750 176.620 175.800 0.118 0.000 1.112 183 F CA -1.627 56.462 58.000 0.149 0.000 1.192 183 F CB 0.404 39.486 39.000 0.136 0.000 1.185 183 F HN -0.180 8.120 8.300 0.000 0.000 0.552 184 V N -1.787 118.346 119.914 0.365 0.000 3.126 184 V HA 0.795 4.914 4.120 -0.002 0.000 0.314 184 V C -0.102 176.119 176.094 0.213 0.000 1.138 184 V CA -1.081 61.361 62.300 0.236 0.000 1.034 184 V CB 1.248 33.271 31.823 0.333 0.000 1.075 184 V HN 0.871 9.061 8.190 0.000 0.000 0.442 185 T N -0.712 113.936 114.554 0.156 0.000 2.899 185 T HA 0.402 4.751 4.350 -0.002 0.000 0.295 185 T C -1.345 173.423 174.700 0.114 0.000 1.033 185 T CA -0.969 61.203 62.100 0.121 0.000 1.084 185 T CB 1.021 69.941 68.868 0.088 0.000 0.979 185 T HN 0.712 8.952 8.240 0.000 0.000 0.532 186 P HA -0.062 4.358 4.420 0.000 0.000 0.220 186 P C 1.009 178.290 177.300 -0.032 0.000 1.148 186 P CA 0.999 64.109 63.100 0.017 0.000 0.803 186 P CB 0.184 31.890 31.700 0.011 0.000 0.782 187 E N -0.849 119.350 120.200 -0.002 0.000 2.077 187 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 187 E C 2.107 178.673 176.600 -0.057 0.000 0.989 187 E CA 1.006 57.390 56.400 -0.027 0.000 0.800 187 E CB -1.203 28.500 29.700 0.004 0.000 0.746 187 E HN 0.281 8.641 8.360 0.000 0.000 0.452 188 Y N 1.092 121.325 120.300 -0.112 0.000 2.097 188 Y HA -0.296 4.252 4.550 -0.002 0.000 0.282 188 Y C 2.212 177.912 175.900 -0.333 0.000 1.152 188 Y CA 1.889 59.898 58.100 -0.152 0.000 1.136 188 Y CB -0.672 37.740 38.460 -0.080 0.000 0.975 188 Y HN 0.035 8.315 8.280 0.000 0.000 0.498 189 A N 0.446 122.940 122.820 -0.542 0.000 1.908 189 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 189 A C 2.097 179.175 177.584 -0.842 0.000 1.181 189 A CA 1.918 53.323 52.037 -1.053 0.000 0.627 189 A CB -0.676 17.948 19.000 -0.627 0.000 0.818 189 A HN 0.602 8.752 8.150 0.000 0.000 0.445 190 E N -0.473 119.459 120.200 -0.447 0.000 2.110 190 E HA -0.210 4.138 4.350 -0.002 0.000 0.193 190 E C 1.953 178.365 176.600 -0.314 0.000 0.988 190 E CA 1.505 57.719 56.400 -0.310 0.000 0.804 190 E CB -0.217 29.378 29.700 -0.174 0.000 0.745 190 E HN 0.780 9.140 8.360 0.000 0.000 0.458 191 E N 1.478 121.472 120.200 -0.342 0.000 2.072 191 E HA -0.149 4.200 4.350 -0.002 0.000 0.191 191 E C 1.845 178.242 176.600 -0.339 0.000 0.985 191 E CA 1.226 57.456 56.400 -0.284 0.000 0.801 191 E CB 0.063 29.624 29.700 -0.233 0.000 0.750 191 E HN -0.037 8.323 8.360 0.000 0.000 0.452 192 K N 0.431 120.500 120.400 -0.552 0.000 2.009 192 K HA -0.139 4.179 4.320 -0.002 0.000 0.210 192 K C 2.347 178.760 176.600 -0.312 0.000 1.049 192 K CA 1.577 57.574 56.287 -0.483 0.000 0.929 192 K CB -0.622 31.407 32.500 -0.785 0.000 0.714 192 K HN 0.322 8.572 8.250 0.000 0.000 0.440 193 I N 1.828 122.146 120.570 -0.420 0.000 2.208 193 I HA -0.295 3.874 4.170 -0.002 0.000 0.245 193 I C 2.464 178.511 176.117 -0.116 0.000 1.097 193 I CA 1.223 62.411 61.300 -0.187 0.000 1.363 193 I CB -0.342 37.544 38.000 -0.190 0.000 1.051 193 I HN 0.191 8.401 8.210 0.000 0.000 0.413 194 Q N 0.723 120.438 119.800 -0.142 0.000 2.167 194 Q HA -0.148 4.191 4.340 -0.002 0.000 0.202 194 Q C 2.234 178.189 176.000 -0.075 0.000 0.970 194 Q CA 1.309 57.056 55.803 -0.093 0.000 0.855 194 Q CB -0.445 28.238 28.738 -0.091 0.000 0.911 194 Q HN 0.553 8.823 8.270 0.000 0.000 0.438 195 R N 0.312 120.760 120.500 -0.086 0.000 2.081 195 R HA -0.039 4.300 4.340 -0.002 0.000 0.235 195 R C 2.485 178.760 176.300 -0.043 0.000 1.131 195 R CA 1.189 57.254 56.100 -0.059 0.000 0.960 195 R CB -0.448 29.818 30.300 -0.057 0.000 0.856 195 R HN 0.234 8.504 8.270 0.000 0.000 0.436 196 I N 0.747 121.298 120.570 -0.032 0.000 2.163 196 I HA -0.300 3.869 4.170 -0.002 0.000 0.243 196 I C 2.281 178.376 176.117 -0.037 0.000 1.085 196 I CA 1.443 62.729 61.300 -0.023 0.000 1.347 196 I CB -0.393 37.623 38.000 0.027 0.000 1.044 196 I HN 0.105 8.315 8.210 0.000 0.000 0.408 197 I N 0.900 121.451 120.570 -0.031 0.000 2.248 197 I HA -0.325 3.844 4.170 -0.002 0.000 0.248 197 I C 2.493 178.591 176.117 -0.032 0.000 1.107 197 I CA 1.926 63.209 61.300 -0.027 0.000 1.373 197 I CB -0.407 37.578 38.000 -0.024 0.000 1.055 197 I HN 0.353 8.563 8.210 0.000 0.000 0.418 198 S N 0.132 115.810 115.700 -0.037 0.000 2.660 198 S HA 0.193 4.662 4.470 -0.002 0.000 0.223 198 S C 1.480 176.054 174.600 -0.044 0.000 0.963 198 S CA 0.376 58.555 58.200 -0.035 0.000 0.932 198 S CB 0.159 63.339 63.200 -0.033 0.000 0.775 198 S HN 0.670 8.980 8.310 0.000 0.000 0.531 199 G N 0.662 109.426 108.800 -0.060 0.000 2.159 199 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.227 199 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.227 199 G C -0.271 174.567 174.900 -0.104 0.000 0.986 199 G CA -0.110 44.936 45.100 -0.090 0.000 0.651 199 G HN 0.584 8.874 8.290 0.000 0.000 0.523 200 E N 1.225 121.380 120.200 -0.074 0.000 1.892 200 E HA 0.338 4.687 4.350 -0.002 0.000 0.271 200 E C 1.906 178.469 176.600 -0.063 0.000 1.146 200 E CA 0.105 56.474 56.400 -0.053 0.000 1.096 200 E CB 0.631 30.317 29.700 -0.023 0.000 1.155 200 E HN 0.643 9.003 8.360 0.000 0.000 0.458 201 V N 0.353 120.186 119.914 -0.135 0.000 2.759 201 V HA -0.245 3.874 4.120 -0.002 0.000 0.256 201 V C 1.989 178.070 176.094 -0.022 0.000 1.080 201 V CA 1.531 63.705 62.300 -0.210 0.000 1.101 201 V CB -0.357 31.119 31.823 -0.578 0.000 0.698 201 V HN 0.524 8.714 8.190 0.000 0.000 0.477 202 E N 0.683 120.952 120.200 0.116 0.000 2.333 202 E HA -0.233 4.115 4.350 -0.002 0.000 0.198 202 E C 1.638 178.368 176.600 0.216 0.000 1.007 202 E CA 1.421 57.967 56.400 0.243 0.000 0.845 202 E CB -0.472 29.326 29.700 0.164 0.000 0.766 202 E HN 0.715 9.075 8.360 0.000 0.000 0.507 203 E N 0.861 121.140 120.200 0.131 0.000 2.482 203 E HA 0.100 4.448 4.350 -0.002 0.000 0.196 203 E C 0.820 177.549 176.600 0.215 0.000 1.047 203 E CA -0.048 56.441 56.400 0.148 0.000 0.869 203 E CB -0.002 29.745 29.700 0.078 0.000 0.836 203 E HN 0.395 8.755 8.360 0.000 0.000 0.520 204 I N 2.722 123.376 120.570 0.141 0.000 2.648 204 I HA -0.097 4.071 4.170 -0.002 0.000 0.284 204 I C 0.738 176.981 176.117 0.210 0.000 1.153 204 I CA 0.684 62.039 61.300 0.092 0.000 1.426 204 I CB 0.248 38.075 38.000 -0.288 0.000 1.381 204 I HN 0.014 8.224 8.210 0.000 0.000 0.571 205 E N 5.096 125.324 120.200 0.047 0.000 2.423 205 E HA 0.504 4.853 4.350 -0.002 0.000 0.280 205 E C -1.389 174.991 176.600 -0.367 0.000 1.030 205 E CA -1.135 55.258 56.400 -0.011 0.000 0.812 205 E CB 1.882 31.653 29.700 0.118 0.000 1.313 205 E HN 0.414 8.774 8.360 0.000 0.000 0.456 206 N N 1.583 120.125 118.700 -0.263 0.000 2.752 206 N HA 0.038 4.777 4.740 -0.002 0.000 0.268 206 N C -0.760 174.612 175.510 -0.231 0.000 1.190 206 N CA -0.427 52.420 53.050 -0.338 0.000 0.897 206 N CB 1.919 40.267 38.487 -0.232 0.000 1.515 206 N HN 0.417 8.797 8.380 0.000 0.000 0.567 207 V N 4.651 124.423 119.914 -0.237 0.000 2.759 207 V HA -0.065 4.054 4.120 -0.002 0.000 0.256 207 V C 1.842 177.768 176.094 -0.280 0.000 1.080 207 V CA 1.535 63.710 62.300 -0.208 0.000 1.101 207 V CB -0.383 31.358 31.823 -0.136 0.000 0.698 207 V HN 0.670 8.860 8.190 0.000 0.000 0.477 208 L N -0.017 121.037 121.223 -0.282 0.000 2.093 208 L HA -0.022 4.317 4.340 -0.002 0.000 0.208 208 L C 2.658 179.400 176.870 -0.214 0.000 1.085 208 L CA 1.605 56.260 54.840 -0.308 0.000 0.755 208 L CB -1.301 40.554 42.059 -0.339 0.000 0.904 208 L HN 0.467 8.697 8.230 0.000 0.000 0.435 209 G N -0.039 108.660 108.800 -0.169 0.000 2.418 209 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.217 209 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.217 209 G C 1.084 175.883 174.900 -0.168 0.000 1.158 209 G CA 0.868 45.892 45.100 -0.127 0.000 0.771 209 G HN 0.304 8.594 8.290 0.000 0.000 0.545 210 D N 0.722 121.004 120.400 -0.197 0.000 2.133 210 D HA -0.110 4.528 4.640 -0.002 0.000 0.195 210 D C 2.472 178.648 176.300 -0.207 0.000 0.997 210 D CA 0.682 54.554 54.000 -0.213 0.000 0.840 210 D CB -0.248 40.440 40.800 -0.186 0.000 0.947 210 D HN 0.399 8.769 8.370 0.000 0.000 0.452 211 I N 0.886 121.315 120.570 -0.236 0.000 2.252 211 I HA -0.199 3.970 4.170 -0.002 0.000 0.245 211 I C 2.432 178.454 176.117 -0.158 0.000 1.102 211 I CA 0.922 62.084 61.300 -0.230 0.000 1.385 211 I CB -0.187 37.629 38.000 -0.307 0.000 1.064 211 I HN -0.075 8.135 8.210 0.000 0.000 0.414 212 A N 0.793 123.550 122.820 -0.105 0.000 1.972 212 A HA -0.194 4.125 4.320 -0.002 0.000 0.219 212 A C 2.356 179.965 177.584 0.041 0.000 1.169 212 A CA 1.420 53.478 52.037 0.035 0.000 0.635 212 A CB -0.533 18.512 19.000 0.075 0.000 0.810 212 A HN 0.318 8.468 8.150 0.000 0.000 0.446 213 R N -0.432 120.033 120.500 -0.058 0.000 2.092 213 R HA -0.100 4.238 4.340 -0.002 0.000 0.231 213 R C 2.079 178.331 176.300 -0.080 0.000 1.119 213 R CA 1.499 57.553 56.100 -0.077 0.000 0.970 213 R CB -0.242 29.947 30.300 -0.186 0.000 0.864 213 R HN 0.684 8.954 8.270 0.000 0.000 0.440 214 E N 0.500 120.632 120.200 -0.114 0.000 2.051 214 E HA -0.155 4.193 4.350 -0.002 0.000 0.192 214 E C 1.919 178.432 176.600 -0.144 0.000 0.991 214 E CA 1.067 57.398 56.400 -0.117 0.000 0.799 214 E CB 0.016 29.641 29.700 -0.124 0.000 0.748 214 E HN 0.279 8.639 8.360 0.000 0.000 0.449 215 L N -0.471 120.616 121.223 -0.226 0.000 2.209 215 L HA -0.034 4.305 4.340 -0.002 0.000 0.207 215 L C 0.225 176.767 176.870 -0.547 0.000 1.094 215 L CA 0.489 55.070 54.840 -0.431 0.000 0.790 215 L CB 0.189 41.864 42.059 -0.640 0.000 0.932 215 L HN 0.127 8.357 8.230 0.000 0.000 0.447 216 Y N -1.138 119.138 120.300 -0.039 0.000 2.805 216 Y HA 0.303 4.852 4.550 -0.002 0.000 0.339 216 Y C -1.737 174.151 175.900 -0.021 0.000 1.012 216 Y CA -2.616 55.470 58.100 -0.024 0.000 1.262 216 Y CB 0.371 38.816 38.460 -0.025 0.000 1.100 216 Y HN -0.133 8.147 8.280 0.000 0.000 0.559 217 P HA -0.256 4.164 4.420 0.000 0.000 0.217 217 P C 1.511 178.862 177.300 0.085 0.000 1.148 217 P CA 1.598 64.736 63.100 0.063 0.000 0.834 217 P CB 0.493 32.223 31.700 0.050 0.000 0.783 218 E N -0.631 119.636 120.200 0.111 0.000 2.153 218 E HA -0.161 4.188 4.350 -0.002 0.000 0.194 218 E C 1.885 178.503 176.600 0.028 0.000 0.988 218 E CA 0.790 57.257 56.400 0.111 0.000 0.811 218 E CB -0.410 29.370 29.700 0.133 0.000 0.746 218 E HN 0.207 8.567 8.360 0.000 0.000 0.466 219 I N 1.100 121.684 120.570 0.023 0.000 2.179 219 I HA -0.291 3.878 4.170 -0.002 0.000 0.242 219 I C 2.409 178.527 176.117 0.002 0.000 1.088 219 I CA 1.108 62.394 61.300 -0.025 0.000 1.357 219 I CB -0.388 37.623 38.000 0.018 0.000 1.051 219 I HN 0.141 8.351 8.210 0.000 0.000 0.409 220 N N 0.949 119.664 118.700 0.025 0.000 2.120 220 N HA -0.233 4.506 4.740 -0.002 0.000 0.188 220 N C 1.762 177.334 175.510 0.104 0.000 1.024 220 N CA 1.429 54.502 53.050 0.039 0.000 0.852 220 N CB -0.074 38.413 38.487 -0.000 0.000 1.003 220 N HN 0.278 8.658 8.380 0.000 0.000 0.424 221 E N -0.556 119.704 120.200 0.100 0.000 2.065 221 E HA -0.197 4.152 4.350 -0.002 0.000 0.201 221 E C 1.780 178.472 176.600 0.152 0.000 1.016 221 E CA 1.703 58.203 56.400 0.167 0.000 0.818 221 E CB -0.039 29.802 29.700 0.234 0.000 0.749 221 E HN 0.171 8.531 8.360 0.000 0.000 0.453 222 V N 0.266 120.122 119.914 -0.095 0.000 2.295 222 V HA -0.270 3.849 4.120 -0.002 0.000 0.246 222 V C 2.022 178.077 176.094 -0.066 0.000 1.049 222 V CA 2.093 64.162 62.300 -0.385 0.000 1.024 222 V CB -0.733 30.664 31.823 -0.710 0.000 0.648 222 V HN 0.391 8.581 8.190 0.000 0.000 0.447 223 Y N 1.296 121.529 120.300 -0.113 0.000 2.040 223 Y HA -0.309 4.240 4.550 -0.003 0.000 0.275 223 Y C 2.848 178.737 175.900 -0.017 0.000 1.171 223 Y CA 2.073 60.126 58.100 -0.077 0.000 1.123 223 Y CB -0.170 38.242 38.460 -0.080 0.000 0.963 223 Y HN 0.043 8.323 8.280 0.000 0.000 0.493 224 R N -0.603 120.037 120.500 0.234 0.000 2.091 224 R HA -0.209 4.129 4.340 -0.002 0.000 0.238 224 R C 2.264 178.649 176.300 0.141 0.000 1.136 224 R CA 1.666 57.869 56.100 0.172 0.000 0.959 224 R CB -1.592 28.817 30.300 0.181 0.000 0.856 224 R HN 0.453 8.723 8.270 0.000 0.000 0.437 225 F N 1.046 121.036 119.950 0.065 0.000 2.134 225 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 225 F C 2.307 178.164 175.800 0.095 0.000 1.097 225 F CA 1.122 59.204 58.000 0.136 0.000 1.264 225 F CB -0.116 39.043 39.000 0.265 0.000 1.001 225 F HN -0.272 8.028 8.300 0.000 0.000 0.479 226 V N 0.168 120.118 119.914 0.060 0.000 2.343 226 V HA -0.290 3.828 4.120 -0.002 0.000 0.247 226 V C 2.175 178.125 176.094 -0.239 0.000 1.051 226 V CA 2.196 64.387 62.300 -0.181 0.000 1.036 226 V CB -0.711 30.943 31.823 -0.282 0.000 0.654 226 V HN 0.333 8.523 8.190 0.000 0.000 0.451 227 E N -0.507 119.548 120.200 -0.242 0.000 2.038 227 E HA -0.304 4.044 4.350 -0.002 0.000 0.195 227 E C 2.146 178.646 176.600 -0.168 0.000 1.000 227 E CA 1.977 58.250 56.400 -0.211 0.000 0.803 227 E CB -0.434 29.168 29.700 -0.163 0.000 0.750 227 E HN 0.748 9.108 8.360 0.000 0.000 0.448 228 Y N 1.785 121.935 120.300 -0.249 0.000 2.139 228 Y HA -0.246 4.302 4.550 -0.003 0.000 0.282 228 Y C 1.913 177.617 175.900 -0.327 0.000 1.179 228 Y CA 1.549 59.475 58.100 -0.291 0.000 1.161 228 Y CB -0.339 37.894 38.460 -0.378 0.000 0.970 228 Y HN -0.044 8.236 8.280 0.000 0.000 0.511 229 L N 0.153 121.114 121.223 -0.437 0.000 2.549 229 L HA 0.018 4.357 4.340 -0.002 0.000 0.229 229 L C 1.796 178.388 176.870 -0.462 0.000 1.158 229 L CA 0.923 55.505 54.840 -0.430 0.000 0.842 229 L CB -0.932 41.034 42.059 -0.155 0.000 0.952 229 L HN 0.624 8.854 8.230 0.000 0.000 0.452 230 G N -0.738 107.781 108.800 -0.468 0.000 2.132 230 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.228 230 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.228 230 G C -0.060 174.392 174.900 -0.747 0.000 1.000 230 G CA -0.404 44.356 45.100 -0.566 0.000 0.693 230 G HN 0.202 8.492 8.290 0.000 0.000 0.515 231 F N -0.501 119.261 119.950 -0.314 0.000 2.556 231 F HA 0.719 5.245 4.527 -0.001 0.000 0.327 231 F C 0.522 176.152 175.800 -0.282 0.000 1.059 231 F CA -1.417 56.430 58.000 -0.256 0.000 0.953 231 F CB 1.484 40.271 39.000 -0.355 0.000 1.227 231 F HN -0.054 8.246 8.300 0.000 0.000 0.478 232 K N 3.780 124.175 120.400 -0.010 0.000 2.349 232 K HA 0.332 4.651 4.320 -0.002 0.000 0.289 232 K C -2.776 173.487 176.600 -0.561 0.000 1.064 232 K CA -1.839 54.276 56.287 -0.286 0.000 0.947 232 K CB 0.426 32.801 32.500 -0.208 0.000 1.007 232 K HN 0.093 8.343 8.250 0.000 0.000 0.478 233 P HA 0.347 4.767 4.420 0.000 0.000 0.281 233 P C -1.105 175.575 177.300 -1.034 0.000 1.249 233 P CA -0.330 62.294 63.100 -0.793 0.000 0.810 233 P CB 0.625 31.732 31.700 -0.989 0.000 1.008 234 F N -0.793 118.916 119.950 -0.403 0.000 2.613 234 F HA 0.502 5.028 4.527 -0.002 0.000 0.314 234 F C -0.422 175.066 175.800 -0.519 0.000 1.075 234 F CA -1.039 56.670 58.000 -0.486 0.000 0.945 234 F CB 1.554 40.040 39.000 -0.856 0.000 1.310 234 F HN -0.076 8.224 8.300 0.000 0.000 0.467 235 V N 1.046 120.941 119.914 -0.032 0.000 2.495 235 V HA 0.527 4.646 4.120 -0.002 0.000 0.298 235 V C -0.256 175.954 176.094 0.195 0.000 1.031 235 V CA -0.728 61.606 62.300 0.058 0.000 0.871 235 V CB 1.664 33.508 31.823 0.035 0.000 0.988 235 V HN 0.800 8.990 8.190 0.000 0.000 0.432 236 S N 3.331 119.195 115.700 0.274 0.000 2.616 236 S HA 0.679 5.147 4.470 -0.002 0.000 0.277 236 S C 0.945 175.602 174.600 0.094 0.000 1.234 236 S CA 0.590 58.923 58.200 0.222 0.000 1.028 236 S CB 1.037 64.341 63.200 0.173 0.000 0.988 236 S HN 1.812 10.122 8.310 0.000 0.000 0.522 237 G N 2.879 111.718 108.800 0.064 0.000 2.672 237 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.324 237 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.324 237 G C 0.531 175.432 174.900 0.002 0.000 1.286 237 G CA 0.760 45.891 45.100 0.051 0.000 1.004 237 G HN 1.854 10.144 8.290 0.000 0.000 0.548 238 S N 0.673 116.374 115.700 0.001 0.000 2.506 238 S HA 0.586 5.055 4.470 -0.002 0.000 0.245 238 S C 1.115 175.705 174.600 -0.017 0.000 1.088 238 S CA 0.712 58.884 58.200 -0.048 0.000 1.099 238 S CB 0.020 63.176 63.200 -0.072 0.000 0.805 238 S HN 2.734 11.044 8.310 0.000 0.000 0.461 239 G N 1.933 110.730 108.800 -0.005 0.000 2.760 239 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.246 239 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.246 239 G C 0.527 175.410 174.900 -0.027 0.000 1.359 239 G CA -0.201 44.892 45.100 -0.012 0.000 0.861 239 G HN 1.266 9.556 8.290 0.000 0.000 0.541 240 S N -1.649 114.016 115.700 -0.059 0.000 2.558 240 S HA 0.253 4.721 4.470 -0.002 0.000 0.217 240 S C 1.119 175.691 174.600 -0.048 0.000 0.975 240 S CA 1.390 59.541 58.200 -0.082 0.000 0.912 240 S CB 0.047 63.167 63.200 -0.132 0.000 0.776 240 S HN 1.178 9.488 8.310 0.000 0.000 0.526 241 T N 2.995 117.547 114.554 -0.003 0.000 2.888 241 T HA 0.377 4.726 4.350 -0.002 0.000 0.301 241 T C -0.272 174.462 174.700 0.057 0.000 1.001 241 T CA -0.123 61.991 62.100 0.023 0.000 1.147 241 T CB 1.000 69.908 68.868 0.066 0.000 0.931 241 T HN 0.121 8.361 8.240 0.000 0.000 0.541 242 V N 5.196 125.118 119.914 0.013 0.000 2.435 242 V HA 0.553 4.672 4.120 -0.002 0.000 0.290 242 V C -0.558 175.573 176.094 0.061 0.000 1.030 242 V CA -0.912 61.392 62.300 0.008 0.000 0.881 242 V CB 0.770 32.565 31.823 -0.048 0.000 0.983 242 V HN 0.871 9.061 8.190 0.000 0.000 0.445 243 Y N 3.760 124.052 120.300 -0.013 0.000 2.570 243 Y HA 0.932 5.481 4.550 -0.002 0.000 0.345 243 Y C -0.904 174.982 175.900 -0.024 0.000 1.014 243 Y CA -1.906 56.116 58.100 -0.130 0.000 1.063 243 Y CB 1.783 40.093 38.460 -0.251 0.000 1.272 243 Y HN 0.573 8.853 8.280 0.000 0.000 0.477 244 F N -1.152 118.689 119.950 -0.181 0.000 2.645 244 F HA 0.687 5.213 4.527 -0.001 0.000 0.310 244 F C -2.042 173.550 175.800 -0.346 0.000 1.102 244 F CA -2.153 55.706 58.000 -0.234 0.000 0.952 244 F CB 1.152 40.011 39.000 -0.235 0.000 1.326 244 F HN 0.306 8.606 8.300 0.000 0.000 0.456 245 F N 2.047 122.175 119.950 0.296 0.000 2.541 245 F HA 0.711 5.236 4.527 -0.003 0.000 0.351 245 F C 0.669 176.561 175.800 0.153 0.000 1.209 245 F CA -0.316 57.781 58.000 0.162 0.000 1.277 245 F CB 0.492 39.630 39.000 0.229 0.000 1.632 245 F HN 0.940 9.240 8.300 0.000 0.000 0.619 246 G N -0.308 108.481 108.800 -0.019 0.000 2.488 246 G HA2 0.506 4.465 3.960 -0.002 0.000 0.301 246 G HA3 0.506 4.465 3.960 -0.002 0.000 0.301 246 G C -0.896 173.901 174.900 -0.172 0.000 1.339 246 G CA -0.387 44.697 45.100 -0.027 0.000 0.803 246 G HN 0.560 8.850 8.290 0.000 0.000 0.482 247 G N -1.130 107.675 108.800 0.008 0.000 2.502 247 G HA2 0.714 4.672 3.960 -0.002 0.000 0.305 247 G HA3 0.714 4.672 3.960 -0.002 0.000 0.305 247 G C 0.118 175.092 174.900 0.123 0.000 1.190 247 G CA 0.437 45.548 45.100 0.017 0.000 0.933 247 G HN 1.519 9.809 8.290 0.000 0.000 0.503 248 A N 0.561 123.441 122.820 0.100 0.000 2.309 248 A HA 0.601 4.920 4.320 -0.002 0.000 0.290 248 A C 0.886 178.567 177.584 0.161 0.000 1.206 248 A CA -0.012 52.133 52.037 0.181 0.000 0.850 248 A CB 0.104 19.176 19.000 0.120 0.000 1.118 248 A HN 1.423 9.573 8.150 0.000 0.000 0.523 249 S N 2.075 117.891 115.700 0.194 0.000 2.645 249 S HA 0.248 4.716 4.470 -0.002 0.000 0.266 249 S C 0.642 175.329 174.600 0.144 0.000 1.258 249 S CA -0.355 57.939 58.200 0.157 0.000 0.990 249 S CB 0.665 63.959 63.200 0.157 0.000 0.967 249 S HN 0.636 8.946 8.310 0.000 0.000 0.556 250 E N 0.777 121.046 120.200 0.114 0.000 2.110 250 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 250 E C 1.860 178.533 176.600 0.122 0.000 0.988 250 E CA 1.371 57.830 56.400 0.099 0.000 0.804 250 E CB -0.434 29.311 29.700 0.074 0.000 0.745 250 E HN 0.924 9.284 8.360 0.000 0.000 0.458 251 E N 0.468 120.760 120.200 0.154 0.000 2.077 251 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 251 E C 2.143 178.930 176.600 0.312 0.000 0.989 251 E CA 0.644 57.172 56.400 0.214 0.000 0.800 251 E CB -0.043 29.794 29.700 0.229 0.000 0.746 251 E HN 0.086 8.446 8.360 0.000 0.000 0.452 252 L N 1.598 123.029 121.223 0.348 0.000 1.994 252 L HA -0.179 4.160 4.340 -0.002 0.000 0.208 252 L C 2.024 179.029 176.870 0.224 0.000 1.071 252 L CA 1.997 57.081 54.840 0.406 0.000 0.745 252 L CB -0.437 41.858 42.059 0.393 0.000 0.892 252 L HN -0.015 8.215 8.230 0.000 0.000 0.431 253 K N -0.554 119.945 120.400 0.163 0.000 2.113 253 K HA -0.261 4.057 4.320 -0.002 0.000 0.208 253 K C 2.157 178.779 176.600 0.037 0.000 1.047 253 K CA 1.790 58.135 56.287 0.095 0.000 0.928 253 K CB -0.206 32.341 32.500 0.079 0.000 0.716 253 K HN 0.164 8.414 8.250 0.000 0.000 0.446 254 K N 1.204 121.627 120.400 0.038 0.000 2.031 254 K HA -0.035 4.283 4.320 -0.002 0.000 0.205 254 K C 1.901 178.433 176.600 -0.113 0.000 1.049 254 K CA 1.512 57.791 56.287 -0.015 0.000 0.939 254 K CB -0.428 32.085 32.500 0.022 0.000 0.717 254 K HN 0.087 8.338 8.250 0.000 0.000 0.438 255 A N 0.743 123.475 122.820 -0.148 0.000 1.908 255 A HA -0.079 4.240 4.320 -0.002 0.000 0.218 255 A C 2.396 179.576 177.584 -0.674 0.000 1.181 255 A CA 2.190 53.946 52.037 -0.469 0.000 0.627 255 A CB -1.151 17.382 19.000 -0.778 0.000 0.818 255 A HN 0.457 8.607 8.150 0.000 0.000 0.445 256 A N -0.136 122.466 122.820 -0.363 0.000 1.877 256 A HA -0.171 4.147 4.320 -0.002 0.000 0.216 256 A C 2.096 179.551 177.584 -0.215 0.000 1.186 256 A CA 2.308 54.213 52.037 -0.220 0.000 0.620 256 A CB -0.477 18.594 19.000 0.118 0.000 0.822 256 A HN 0.505 8.655 8.150 0.000 0.000 0.443 257 K N -0.986 119.332 120.400 -0.137 0.000 2.063 257 K HA -0.113 4.206 4.320 -0.002 0.000 0.208 257 K C 2.004 178.508 176.600 -0.159 0.000 1.048 257 K CA 1.827 58.051 56.287 -0.105 0.000 0.928 257 K CB -0.247 32.217 32.500 -0.061 0.000 0.713 257 K HN 0.338 8.588 8.250 0.000 0.000 0.442 258 M N 0.126 119.591 119.600 -0.224 0.000 2.175 258 M HA -0.082 4.397 4.480 -0.002 0.000 0.264 258 M C 1.886 178.004 176.300 -0.303 0.000 1.063 258 M CA 1.690 56.850 55.300 -0.234 0.000 1.119 258 M CB -0.577 31.881 32.600 -0.237 0.000 1.377 258 M HN 0.117 8.407 8.290 0.000 0.000 0.415 259 R N -0.790 119.403 120.500 -0.511 0.000 2.290 259 R HA 0.237 4.575 4.340 -0.002 0.000 0.197 259 R C 0.991 177.064 176.300 -0.378 0.000 0.913 259 R CA 0.608 56.347 56.100 -0.602 0.000 1.040 259 R CB 0.172 29.728 30.300 -1.241 0.000 0.992 259 R HN 0.545 8.815 8.270 0.000 0.000 0.500 260 G N 0.312 108.957 108.800 -0.259 0.000 2.171 260 G HA2 -0.179 3.779 3.960 -0.002 0.000 0.238 260 G HA3 -0.179 3.779 3.960 -0.002 0.000 0.238 260 G C -0.666 174.309 174.900 0.124 0.000 1.039 260 G CA -0.447 44.624 45.100 -0.048 0.000 0.759 260 G HN 0.084 8.374 8.290 0.000 0.000 0.501 261 W N 0.302 121.578 121.300 -0.041 0.000 2.381 261 W HA 0.650 5.308 4.660 -0.003 0.000 0.329 261 W C 0.607 177.114 176.519 -0.020 0.000 1.157 261 W CA -1.788 55.537 57.345 -0.033 0.000 1.240 261 W CB 0.881 30.312 29.460 -0.049 0.000 1.199 261 W HN 0.187 8.367 8.180 0.000 0.000 0.579 262 K N 1.613 122.139 120.400 0.210 0.000 2.201 262 K HA 0.493 4.811 4.320 -0.002 0.000 0.278 262 K C -1.131 175.512 176.600 0.073 0.000 1.027 262 K CA -0.322 56.034 56.287 0.114 0.000 0.909 262 K CB 0.991 33.544 32.500 0.088 0.000 1.062 262 K HN 0.258 8.508 8.250 0.000 0.000 0.465 263 V N 5.028 124.968 119.914 0.043 0.000 2.384 263 V HA 0.322 4.441 4.120 -0.002 0.000 0.287 263 V C -0.794 175.238 176.094 -0.104 0.000 1.020 263 V CA -0.839 61.461 62.300 0.000 0.000 0.850 263 V CB 1.686 33.550 31.823 0.068 0.000 0.987 263 V HN 0.528 8.718 8.190 0.000 0.000 0.436 264 V N 4.752 124.534 119.914 -0.219 0.000 2.409 264 V HA 0.410 4.528 4.120 -0.002 0.000 0.290 264 V C -0.169 175.738 176.094 -0.312 0.000 1.017 264 V CA -0.742 61.344 62.300 -0.356 0.000 0.841 264 V CB 1.558 32.935 31.823 -0.743 0.000 1.003 264 V HN 0.898 9.088 8.190 0.000 0.000 0.426 265 E N 5.579 125.646 120.200 -0.221 0.000 2.167 265 E HA 0.665 5.013 4.350 -0.002 0.000 0.284 265 E C -1.022 175.479 176.600 -0.164 0.000 1.016 265 E CA -0.324 55.960 56.400 -0.193 0.000 0.817 265 E CB 1.725 31.356 29.700 -0.116 0.000 1.080 265 E HN 0.519 8.879 8.360 0.000 0.000 0.397 266 L N 1.921 123.039 121.223 -0.175 0.000 2.283 266 L HA 0.563 4.901 4.340 -0.002 0.000 0.259 266 L C -0.426 176.400 176.870 -0.073 0.000 1.027 266 L CA -1.079 53.691 54.840 -0.117 0.000 0.828 266 L CB 1.899 43.873 42.059 -0.141 0.000 1.380 266 L HN 0.392 8.622 8.230 0.000 0.000 0.425 267 E N 0.625 120.808 120.200 -0.028 0.000 2.224 267 E HA 0.625 4.974 4.350 -0.002 0.000 0.265 267 E C -1.444 175.166 176.600 0.018 0.000 0.878 267 E CA -0.328 56.073 56.400 0.002 0.000 0.759 267 E CB 1.685 31.395 29.700 0.016 0.000 1.164 267 E HN 0.381 8.741 8.360 0.000 0.000 0.414 268 L N 0.000 121.244 121.223 0.035 0.000 2.949 268 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 268 L CA 0.000 54.867 54.840 0.044 0.000 0.813 268 L CB 0.000 42.098 42.059 0.065 0.000 0.961 268 L HN 0.000 8.230 8.230 0.000 0.000 0.502