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 3kzi_1_A DATA FIRST_RESID 10 DATA SEQUENCE SANLWERFCN WVTSTDNRLY VGWFGVIMIP TLLAATICFV IAFIAAPPVD DATA SEQUENCE IDGIREPVSG SLLYGNNIIT GAVVPSSNAI GLHFYPIWEA ASLDEWLYNG DATA SEQUENCE GPYQLIIFHF LLGASCYMGR QWELSYRLGM RPWICVAYSA PLASAFAVFL DATA SEQUENCE IYPIGQGSFS DGMPLGISGT FNFMIVFQAE HNILMHPFHQ LGVAGVFGGA DATA SEQUENCE LFCAMHGSLV TSSLIRETTE TESANYGYKF GQEEETYNIV AAHGYFGRLI DATA SEQUENCE FQYASFNNSR SLHFFLAAWP VVGVWFTALG ISTMAFNLNG FNFNHSVIDA DATA SEQUENCE KGNVINTWAD IINRANLGME VMHERNAHNF PLDLA 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 10 S HA 0.000 4.470 4.470 0.000 0.000 0.327 10 S C 0.000 174.628 174.600 0.046 0.000 1.055 10 S CA 0.000 58.223 58.200 0.038 0.000 1.107 10 S CB 0.000 63.227 63.200 0.044 0.000 0.593 11 A N 3.755 126.604 122.820 0.048 0.000 2.194 11 A HA 0.167 4.486 4.320 -0.001 0.000 0.220 11 A C 0.707 178.335 177.584 0.074 0.000 1.162 11 A CA 1.595 53.664 52.037 0.054 0.000 0.674 11 A CB -0.797 18.233 19.000 0.050 0.000 0.789 11 A HN 1.212 9.362 8.150 0.000 0.000 0.470 12 N N -3.398 115.354 118.700 0.085 0.000 7.379 12 N HA -0.060 4.679 4.740 -0.001 0.000 0.072 12 N C 0.044 175.645 175.510 0.151 0.000 1.489 12 N CA -0.188 52.932 53.050 0.117 0.000 1.998 12 N CB -0.872 37.697 38.487 0.136 0.000 0.847 12 N HN -0.041 8.339 8.380 0.000 0.000 1.218 13 L N 2.029 123.340 121.223 0.146 0.000 2.012 13 L HA -0.290 4.049 4.340 -0.001 0.000 0.236 13 L C 2.341 179.361 176.870 0.249 0.000 1.099 13 L CA 2.538 57.481 54.840 0.173 0.000 0.821 13 L CB -0.872 41.281 42.059 0.157 0.000 0.918 13 L HN 0.814 9.044 8.230 0.000 0.000 0.445 14 W N 0.974 122.339 121.300 0.107 0.000 2.321 14 W HA -0.274 4.385 4.660 -0.001 0.000 0.306 14 W C 2.397 179.047 176.519 0.218 0.000 1.217 14 W CA 2.219 59.646 57.345 0.137 0.000 1.257 14 W CB -0.258 29.233 29.460 0.051 0.000 1.145 14 W HN 0.510 8.690 8.180 0.000 0.000 0.509 15 E N 0.434 120.784 120.200 0.250 0.000 2.118 15 E HA -0.256 4.094 4.350 -0.001 0.000 0.195 15 E C 2.265 178.904 176.600 0.065 0.000 0.992 15 E CA 1.673 58.162 56.400 0.148 0.000 0.804 15 E CB -0.176 29.626 29.700 0.170 0.000 0.741 15 E HN 0.354 8.714 8.360 0.000 0.000 0.458 16 R N -0.393 120.165 120.500 0.097 0.000 2.057 16 R HA -0.096 4.243 4.340 -0.001 0.000 0.229 16 R C 2.399 178.757 176.300 0.097 0.000 1.136 16 R CA 1.324 57.474 56.100 0.084 0.000 0.952 16 R CB -0.753 29.600 30.300 0.088 0.000 0.848 16 R HN 0.183 8.453 8.270 0.000 0.000 0.430 17 F N 1.724 121.649 119.950 -0.041 0.000 2.045 17 F HA -0.400 4.126 4.527 -0.001 0.000 0.297 17 F C 2.276 178.027 175.800 -0.081 0.000 1.114 17 F CA 1.765 59.752 58.000 -0.021 0.000 1.207 17 F CB -0.459 38.480 39.000 -0.100 0.000 0.964 17 F HN 0.042 8.342 8.300 0.000 0.000 0.486 18 C N 0.382 119.690 119.300 0.013 0.000 2.410 18 C HA -0.204 4.256 4.460 -0.001 0.000 0.281 18 C C 2.333 177.222 174.990 -0.168 0.000 1.318 18 C CA 1.554 60.526 59.018 -0.077 0.000 1.776 18 C CB -1.916 25.799 27.740 -0.041 0.000 1.942 18 C HN 0.566 8.796 8.230 0.000 0.000 0.508 19 N N -0.855 117.798 118.700 -0.079 0.000 2.354 19 N HA -0.061 4.679 4.740 -0.001 0.000 0.179 19 N C 1.283 176.742 175.510 -0.086 0.000 1.021 19 N CA 0.856 53.866 53.050 -0.068 0.000 0.887 19 N CB -0.214 38.270 38.487 -0.004 0.000 0.974 19 N HN 0.791 9.171 8.380 0.000 0.000 0.437 20 W N 0.966 122.100 121.300 -0.277 0.000 2.463 20 W HA 0.019 4.678 4.660 -0.002 0.000 0.316 20 W C 1.771 178.060 176.519 -0.384 0.000 1.170 20 W CA 0.674 57.839 57.345 -0.300 0.000 1.355 20 W CB -0.839 28.416 29.460 -0.341 0.000 1.159 20 W HN -0.240 7.940 8.180 0.000 0.000 0.487 21 V N 0.844 120.234 119.914 -0.874 0.000 2.223 21 V HA -0.466 3.653 4.120 -0.001 0.000 0.253 21 V C 2.349 177.843 176.094 -1.001 0.000 1.061 21 V CA 3.055 64.583 62.300 -1.286 0.000 1.035 21 V CB -1.865 29.224 31.823 -1.224 0.000 0.653 21 V HN 0.433 8.623 8.190 0.000 0.000 0.454 22 T N -0.479 113.606 114.554 -0.782 0.000 3.098 22 T HA -0.078 4.272 4.350 -0.001 0.000 0.266 22 T C 1.046 175.652 174.700 -0.157 0.000 1.145 22 T CA 0.821 62.672 62.100 -0.414 0.000 1.092 22 T CB -0.450 68.183 68.868 -0.392 0.000 0.908 22 T HN 0.525 8.765 8.240 0.000 0.000 0.526 23 S N 1.380 116.926 115.700 -0.257 0.000 2.563 23 S HA 0.002 4.471 4.470 -0.001 0.000 0.294 23 S C 1.419 175.947 174.600 -0.120 0.000 1.279 23 S CA 0.530 58.630 58.200 -0.166 0.000 1.069 23 S CB 0.638 63.749 63.200 -0.149 0.000 0.828 23 S HN 0.594 8.904 8.310 0.000 0.000 0.497 24 T N 0.850 115.303 114.554 -0.169 0.000 3.188 24 T HA 0.252 4.601 4.350 -0.001 0.000 0.250 24 T C 0.169 174.787 174.700 -0.137 0.000 1.077 24 T CA -0.163 61.798 62.100 -0.232 0.000 0.967 24 T CB -0.063 68.632 68.868 -0.287 0.000 1.006 24 T HN 0.565 8.805 8.240 0.000 0.000 0.552 25 D N 1.445 121.793 120.400 -0.086 0.000 2.402 25 D HA 0.171 4.810 4.640 -0.001 0.000 0.216 25 D C -0.152 176.135 176.300 -0.021 0.000 1.128 25 D CA -0.187 53.785 54.000 -0.048 0.000 0.833 25 D CB 0.158 40.941 40.800 -0.028 0.000 0.971 25 D HN 0.361 8.731 8.370 0.000 0.000 0.503 26 N N 1.137 119.819 118.700 -0.030 0.000 2.499 26 N HA 0.050 4.789 4.740 -0.001 0.000 0.281 26 N C 1.355 176.863 175.510 -0.003 0.000 1.098 26 N CA -0.228 52.815 53.050 -0.013 0.000 0.979 26 N CB 1.940 40.374 38.487 -0.088 0.000 1.121 26 N HN -0.104 8.276 8.380 0.000 0.000 0.466 27 R N 2.428 122.935 120.500 0.011 0.000 2.119 27 R HA -0.010 4.329 4.340 -0.001 0.000 0.246 27 R C -0.067 176.236 176.300 0.004 0.000 1.146 27 R CA 1.648 57.753 56.100 0.008 0.000 0.962 27 R CB -0.259 30.050 30.300 0.016 0.000 0.863 27 R HN 0.606 8.876 8.270 0.000 0.000 0.442 28 L N 0.292 121.515 121.223 0.001 0.000 2.325 28 L HA 0.256 4.595 4.340 -0.001 0.000 0.281 28 L C -0.955 175.903 176.870 -0.020 0.000 1.004 28 L CA -1.307 53.531 54.840 -0.004 0.000 0.823 28 L CB 1.642 43.697 42.059 -0.008 0.000 1.236 28 L HN 0.050 8.280 8.230 0.000 0.000 0.415 29 Y N 4.612 124.823 120.300 -0.149 0.000 2.517 29 Y HA 0.147 4.696 4.550 -0.001 0.000 0.341 29 Y C 0.189 175.947 175.900 -0.236 0.000 1.247 29 Y CA -0.413 57.560 58.100 -0.212 0.000 1.774 29 Y CB 0.388 38.728 38.460 -0.200 0.000 1.641 29 Y HN 0.316 8.596 8.280 0.000 0.000 0.457 30 V N 7.280 126.829 119.914 -0.608 0.000 2.409 30 V HA 0.450 4.569 4.120 -0.001 0.000 0.270 30 V C 0.695 176.129 176.094 -1.099 0.000 1.019 30 V CA 0.700 62.597 62.300 -0.672 0.000 1.066 30 V CB -0.430 31.041 31.823 -0.587 0.000 1.021 30 V HN 0.844 9.034 8.190 0.000 0.000 0.476 31 G N 5.393 113.574 108.800 -1.032 0.000 2.641 31 G HA2 0.248 4.207 3.960 -0.001 0.000 0.239 31 G HA3 0.248 4.207 3.960 -0.001 0.000 0.239 31 G C 0.124 174.779 174.900 -0.409 0.000 1.402 31 G CA -0.326 44.171 45.100 -1.006 0.000 1.046 31 G HN 0.788 9.078 8.290 0.000 0.000 0.565 32 W N -1.593 119.626 121.300 -0.135 0.000 2.481 32 W HA 0.120 4.779 4.660 -0.001 0.000 0.293 32 W C 2.324 178.780 176.519 -0.105 0.000 1.201 32 W CA -0.235 57.043 57.345 -0.112 0.000 1.328 32 W CB 0.002 29.388 29.460 -0.123 0.000 1.112 32 W HN 0.360 8.540 8.180 0.000 0.000 0.546 33 F N 0.277 120.390 119.950 0.272 0.000 2.234 33 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 33 F C 2.456 178.315 175.800 0.098 0.000 1.087 33 F CA 1.616 59.723 58.000 0.178 0.000 1.340 33 F CB -1.254 37.848 39.000 0.170 0.000 1.031 33 F HN -0.146 8.154 8.300 0.000 0.000 0.500 34 G N -0.273 108.629 108.800 0.169 0.000 2.442 34 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 34 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 34 G C 1.779 176.728 174.900 0.081 0.000 1.141 34 G CA 1.148 46.272 45.100 0.039 0.000 0.763 34 G HN 0.269 8.559 8.290 0.000 0.000 0.554 35 V N 0.919 120.911 119.914 0.129 0.000 2.688 35 V HA -0.111 4.009 4.120 -0.001 0.000 0.256 35 V C 2.453 178.653 176.094 0.177 0.000 1.084 35 V CA 0.985 63.397 62.300 0.187 0.000 1.103 35 V CB -0.221 31.796 31.823 0.322 0.000 0.688 35 V HN 0.320 8.510 8.190 0.000 0.000 0.480 36 I N -1.481 119.195 120.570 0.176 0.000 3.172 36 I HA 0.020 4.189 4.170 -0.001 0.000 0.278 36 I C 2.021 178.234 176.117 0.161 0.000 1.174 36 I CA 1.105 62.503 61.300 0.163 0.000 1.445 36 I CB -0.483 37.621 38.000 0.172 0.000 1.175 36 I HN 0.326 8.536 8.210 0.000 0.000 0.447 37 M N 1.199 120.902 119.600 0.170 0.000 2.066 37 M HA -0.216 4.263 4.480 -0.001 0.000 0.259 37 M C 2.361 178.744 176.300 0.138 0.000 1.074 37 M CA 2.167 57.561 55.300 0.157 0.000 1.114 37 M CB -0.194 32.504 32.600 0.162 0.000 1.306 37 M HN 0.006 8.296 8.290 0.000 0.000 0.411 38 I N 0.376 121.016 120.570 0.116 0.000 2.181 38 I HA -0.302 3.867 4.170 -0.001 0.000 0.247 38 I C -0.849 175.340 176.117 0.120 0.000 1.081 38 I CA 1.745 63.108 61.300 0.105 0.000 1.340 38 I CB -1.793 36.255 38.000 0.081 0.000 1.036 38 I HN 0.352 8.562 8.210 0.000 0.000 0.417 39 P HA -0.081 4.339 4.420 0.000 0.000 0.216 39 P C 1.747 179.158 177.300 0.184 0.000 1.156 39 P CA 1.798 64.988 63.100 0.149 0.000 0.855 39 P CB -0.213 31.579 31.700 0.154 0.000 0.786 40 T N -1.532 113.150 114.554 0.213 0.000 2.720 40 T HA -0.152 4.198 4.350 -0.001 0.000 0.268 40 T C 1.876 176.723 174.700 0.245 0.000 1.037 40 T CA 1.237 63.523 62.100 0.310 0.000 1.144 40 T CB -1.480 67.511 68.868 0.205 0.000 0.864 40 T HN -0.017 8.223 8.240 0.000 0.000 0.444 41 L N 0.115 121.439 121.223 0.169 0.000 2.141 41 L HA 0.119 4.458 4.340 -0.001 0.000 0.209 41 L C 2.734 179.670 176.870 0.111 0.000 1.094 41 L CA 0.818 55.742 54.840 0.139 0.000 0.763 41 L CB -0.481 41.651 42.059 0.123 0.000 0.908 41 L HN 0.277 8.507 8.230 0.000 0.000 0.437 42 L N -0.796 120.490 121.223 0.105 0.000 2.156 42 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 42 L C 2.794 179.699 176.870 0.057 0.000 1.095 42 L CA 0.864 55.752 54.840 0.080 0.000 0.770 42 L CB -0.611 41.497 42.059 0.081 0.000 0.914 42 L HN 0.230 8.460 8.230 0.000 0.000 0.439 43 A N 0.248 123.095 122.820 0.045 0.000 1.854 43 A HA -0.082 4.237 4.320 -0.001 0.000 0.214 43 A C 2.561 180.096 177.584 -0.082 0.000 1.192 43 A CA 1.457 53.459 52.037 -0.058 0.000 0.611 43 A CB -0.640 18.244 19.000 -0.194 0.000 0.832 43 A HN 0.344 8.494 8.150 0.000 0.000 0.442 44 A N -1.057 121.741 122.820 -0.036 0.000 1.859 44 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 44 A C 2.442 180.050 177.584 0.040 0.000 1.198 44 A CA 2.790 54.832 52.037 0.008 0.000 0.629 44 A CB -1.518 17.549 19.000 0.112 0.000 0.830 44 A HN 0.522 8.672 8.150 0.000 0.000 0.446 45 T N -0.493 114.089 114.554 0.048 0.000 2.652 45 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 45 T C 1.799 176.571 174.700 0.120 0.000 1.039 45 T CA 1.773 63.910 62.100 0.063 0.000 1.153 45 T CB -0.496 68.398 68.868 0.044 0.000 0.863 45 T HN 0.365 8.605 8.240 0.000 0.000 0.428 46 I N 0.589 121.207 120.570 0.080 0.000 2.264 46 I HA -0.153 4.017 4.170 -0.001 0.000 0.248 46 I C 2.964 179.132 176.117 0.085 0.000 1.111 46 I CA 1.103 62.449 61.300 0.077 0.000 1.382 46 I CB -0.561 37.470 38.000 0.052 0.000 1.060 46 I HN 0.462 8.672 8.210 0.000 0.000 0.418 47 C N 0.675 120.021 119.300 0.077 0.000 2.446 47 C HA -0.209 4.250 4.460 -0.001 0.000 0.277 47 C C 2.789 177.847 174.990 0.113 0.000 1.275 47 C CA 0.405 59.474 59.018 0.085 0.000 1.727 47 C CB -0.998 26.781 27.740 0.064 0.000 2.010 47 C HN 0.546 8.776 8.230 0.000 0.000 0.486 48 F N 1.630 121.569 119.950 -0.017 0.000 2.011 48 F HA -0.152 4.375 4.527 -0.001 0.000 0.296 48 F C 2.222 178.044 175.800 0.037 0.000 1.144 48 F CA 2.608 60.601 58.000 -0.012 0.000 1.185 48 F CB -1.003 37.960 39.000 -0.062 0.000 0.961 48 F HN 0.090 8.390 8.300 0.000 0.000 0.485 49 V N 1.219 121.209 119.914 0.126 0.000 2.363 49 V HA -0.378 3.741 4.120 -0.001 0.000 0.254 49 V C 2.408 178.485 176.094 -0.028 0.000 1.074 49 V CA 2.363 64.662 62.300 -0.001 0.000 1.069 49 V CB -0.773 31.107 31.823 0.095 0.000 0.659 49 V HN 0.486 8.676 8.190 0.000 0.000 0.455 50 I N -0.483 120.090 120.570 0.004 0.000 2.333 50 I HA -0.133 4.036 4.170 -0.001 0.000 0.246 50 I C 2.622 178.727 176.117 -0.020 0.000 1.106 50 I CA 1.105 62.413 61.300 0.013 0.000 1.411 50 I CB -0.616 37.407 38.000 0.039 0.000 1.082 50 I HN 0.288 8.498 8.210 0.000 0.000 0.420 51 A N 1.216 124.003 122.820 -0.056 0.000 1.841 51 A HA -0.303 4.016 4.320 -0.001 0.000 0.216 51 A C 2.267 179.761 177.584 -0.151 0.000 1.199 51 A CA 1.733 53.708 52.037 -0.104 0.000 0.621 51 A CB -1.354 17.576 19.000 -0.117 0.000 0.835 51 A HN 0.427 8.577 8.150 0.000 0.000 0.445 52 F N 0.378 120.073 119.950 -0.425 0.000 2.184 52 F HA -0.230 4.297 4.527 -0.001 0.000 0.301 52 F C 1.895 177.557 175.800 -0.230 0.000 1.076 52 F CA 1.941 59.682 58.000 -0.431 0.000 1.295 52 F CB -0.024 38.520 39.000 -0.760 0.000 1.026 52 F HN 0.215 8.515 8.300 0.000 0.000 0.494 53 I N -1.236 119.346 120.570 0.021 0.000 2.556 53 I HA -0.021 4.149 4.170 -0.001 0.000 0.251 53 I C 2.105 178.226 176.117 0.007 0.000 1.105 53 I CA 1.097 62.418 61.300 0.035 0.000 1.436 53 I CB -0.465 37.577 38.000 0.070 0.000 1.139 53 I HN 0.122 8.332 8.210 0.000 0.000 0.438 54 A N 0.425 123.249 122.820 0.007 0.000 2.508 54 A HA 0.602 4.921 4.320 -0.001 0.000 0.250 54 A C 1.043 178.630 177.584 0.004 0.000 1.208 54 A CA -0.031 52.044 52.037 0.064 0.000 0.960 54 A CB -0.078 18.971 19.000 0.081 0.000 1.099 54 A HN 0.195 8.345 8.150 0.000 0.000 0.542 55 A N 1.846 124.598 122.820 -0.113 0.000 2.520 55 A HA 0.516 4.835 4.320 -0.001 0.000 0.235 55 A C -2.175 175.117 177.584 -0.486 0.000 1.065 55 A CA -0.550 51.361 52.037 -0.211 0.000 0.764 55 A CB -0.215 18.659 19.000 -0.210 0.000 1.002 55 A HN 0.318 8.468 8.150 0.000 0.000 0.502 56 P HA 0.406 4.826 4.420 0.000 0.000 0.284 56 P C -2.807 174.152 177.300 -0.568 0.000 1.287 56 P CA -2.037 60.501 63.100 -0.937 0.000 0.824 56 P CB -0.267 31.136 31.700 -0.496 0.000 1.180 57 P HA -0.017 4.403 4.420 0.000 0.000 0.264 57 P C -0.624 176.459 177.300 -0.361 0.000 1.179 57 P CA 0.689 63.593 63.100 -0.325 0.000 0.763 57 P CB 0.120 31.694 31.700 -0.210 0.000 0.806 58 V N 2.891 122.587 119.914 -0.362 0.000 2.448 58 V HA 0.147 4.266 4.120 -0.001 0.000 0.295 58 V C 0.352 176.185 176.094 -0.435 0.000 1.025 58 V CA -0.308 61.742 62.300 -0.416 0.000 0.859 58 V CB 1.615 33.240 31.823 -0.330 0.000 0.988 58 V HN 0.440 8.630 8.190 0.000 0.000 0.431 59 D N 3.662 123.715 120.400 -0.580 0.000 2.671 59 D HA 0.086 4.726 4.640 -0.001 0.000 0.228 59 D C 1.245 177.379 176.300 -0.277 0.000 1.102 59 D CA 0.149 53.892 54.000 -0.429 0.000 1.044 59 D CB 0.032 40.558 40.800 -0.456 0.000 1.113 59 D HN 0.581 8.951 8.370 0.000 0.000 0.480 60 I N 0.874 121.297 120.570 -0.245 0.000 2.145 60 I HA -0.274 3.895 4.170 -0.001 0.000 0.244 60 I C 0.629 176.654 176.117 -0.153 0.000 1.075 60 I CA 1.466 62.646 61.300 -0.201 0.000 1.332 60 I CB 0.277 38.168 38.000 -0.183 0.000 1.033 60 I HN 0.135 8.345 8.210 0.000 0.000 0.410 61 D N 0.956 121.275 120.400 -0.136 0.000 2.319 61 D HA 0.125 4.764 4.640 -0.001 0.000 0.230 61 D C 1.537 177.769 176.300 -0.114 0.000 1.094 61 D CA 0.887 54.818 54.000 -0.116 0.000 0.856 61 D CB -0.002 40.733 40.800 -0.109 0.000 0.915 61 D HN 0.612 8.982 8.370 0.000 0.000 0.517 62 G N 2.016 110.747 108.800 -0.115 0.000 2.200 62 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.267 62 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.267 62 G C 0.860 175.718 174.900 -0.070 0.000 0.993 62 G CA 0.742 45.788 45.100 -0.090 0.000 0.701 62 G HN 0.579 8.869 8.290 0.000 0.000 0.524 63 I N -3.829 116.695 120.570 -0.077 0.000 3.856 63 I HA 0.475 4.644 4.170 -0.001 0.000 0.333 63 I C 0.893 176.987 176.117 -0.038 0.000 1.525 63 I CA -0.881 60.382 61.300 -0.062 0.000 1.173 63 I CB 0.291 38.243 38.000 -0.080 0.000 1.175 63 I HN -0.048 8.162 8.210 0.000 0.000 0.424 64 R N 1.782 122.274 120.500 -0.013 0.000 3.188 64 R HA -0.223 4.116 4.340 -0.001 0.000 0.247 64 R C -0.187 176.108 176.300 -0.008 0.000 0.918 64 R CA 0.819 56.942 56.100 0.037 0.000 0.629 64 R CB -2.490 27.852 30.300 0.069 0.000 1.087 64 R HN 0.888 9.158 8.270 0.000 0.000 0.462 65 E N 0.174 120.331 120.200 -0.071 0.000 3.626 65 E HA 0.246 4.595 4.350 -0.001 0.000 0.245 65 E C -2.452 174.070 176.600 -0.131 0.000 1.236 65 E CA -1.869 54.485 56.400 -0.076 0.000 1.072 65 E CB 0.890 30.549 29.700 -0.068 0.000 1.309 65 E HN -0.015 8.345 8.360 0.000 0.000 0.400 66 P HA -0.099 4.321 4.420 0.000 0.000 0.261 66 P C -0.867 176.326 177.300 -0.179 0.000 1.165 66 P CA 0.213 63.159 63.100 -0.257 0.000 0.759 66 P CB 0.663 32.206 31.700 -0.262 0.000 0.772 67 V N 3.667 123.461 119.914 -0.200 0.000 2.311 67 V HA 0.199 4.318 4.120 -0.001 0.000 0.275 67 V C 0.500 176.490 176.094 -0.174 0.000 1.022 67 V CA -0.479 61.729 62.300 -0.153 0.000 0.830 67 V CB 0.943 32.681 31.823 -0.142 0.000 1.012 67 V HN 0.625 8.815 8.190 0.000 0.000 0.452 68 S N 3.410 119.026 115.700 -0.140 0.000 2.523 68 S HA 0.523 4.993 4.470 -0.001 0.000 0.275 68 S C 0.812 175.318 174.600 -0.158 0.000 1.281 68 S CA 0.197 58.299 58.200 -0.163 0.000 1.050 68 S CB 1.416 64.573 63.200 -0.071 0.000 0.937 68 S HN 0.972 9.282 8.310 0.000 0.000 0.492 69 G N 1.546 110.215 108.800 -0.218 0.000 4.110 69 G HA2 0.367 4.326 3.960 -0.001 0.000 0.292 69 G HA3 0.367 4.326 3.960 -0.001 0.000 0.292 69 G C 0.068 174.753 174.900 -0.359 0.000 1.020 69 G CA 0.025 44.981 45.100 -0.240 0.000 0.808 69 G HN 1.018 9.308 8.290 0.000 0.000 0.474 70 S N -0.347 115.166 115.700 -0.311 0.000 2.638 70 S HA 0.570 5.039 4.470 -0.001 0.000 0.298 70 S C 1.413 175.870 174.600 -0.239 0.000 1.111 70 S CA -0.753 57.222 58.200 -0.375 0.000 1.027 70 S CB 1.761 64.809 63.200 -0.254 0.000 1.064 70 S HN -0.010 8.300 8.310 0.000 0.000 0.525 71 L N 1.168 122.221 121.223 -0.282 0.000 1.956 71 L HA -0.152 4.188 4.340 -0.001 0.000 0.216 71 L C 2.383 179.240 176.870 -0.023 0.000 1.073 71 L CA 1.562 56.330 54.840 -0.119 0.000 0.762 71 L CB -0.894 41.141 42.059 -0.039 0.000 0.889 71 L HN 0.698 8.928 8.230 0.000 0.000 0.433 72 L N -1.409 119.831 121.223 0.029 0.000 2.447 72 L HA -0.214 4.125 4.340 -0.001 0.000 0.225 72 L C 0.883 177.733 176.870 -0.034 0.000 1.148 72 L CA 0.856 55.708 54.840 0.020 0.000 0.808 72 L CB -0.309 41.778 42.059 0.047 0.000 0.928 72 L HN 0.291 8.521 8.230 0.000 0.000 0.448 73 Y N -0.572 119.675 120.300 -0.089 0.000 2.774 73 Y HA 0.345 4.894 4.550 -0.001 0.000 0.305 73 Y C 1.319 177.171 175.900 -0.080 0.000 1.067 73 Y CA -0.026 58.026 58.100 -0.079 0.000 1.304 73 Y CB 0.451 38.857 38.460 -0.089 0.000 1.209 73 Y HN 0.129 8.409 8.280 0.000 0.000 0.543 74 G N -0.053 108.752 108.800 0.010 0.000 2.157 74 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.239 74 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.239 74 G C 0.107 174.994 174.900 -0.023 0.000 0.982 74 G CA -0.333 44.761 45.100 -0.010 0.000 0.650 74 G HN 0.372 8.662 8.290 0.000 0.000 0.527 75 N N 0.617 119.289 118.700 -0.046 0.000 2.477 75 N HA 0.521 5.260 4.740 -0.001 0.000 0.284 75 N C -0.183 175.294 175.510 -0.055 0.000 1.182 75 N CA -0.057 52.949 53.050 -0.075 0.000 0.949 75 N CB 1.239 39.628 38.487 -0.164 0.000 1.204 75 N HN 0.530 8.910 8.380 0.000 0.000 0.526 76 N N -0.201 118.483 118.700 -0.025 0.000 2.531 76 N HA 0.312 5.051 4.740 -0.001 0.000 0.290 76 N C 1.123 176.673 175.510 0.068 0.000 1.257 76 N CA -0.661 52.403 53.050 0.022 0.000 0.863 76 N CB 0.691 39.198 38.487 0.034 0.000 1.320 76 N HN 0.245 8.625 8.380 0.000 0.000 0.538 77 I N 0.094 120.745 120.570 0.135 0.000 2.145 77 I HA -0.250 3.919 4.170 -0.001 0.000 0.244 77 I C 1.792 178.028 176.117 0.198 0.000 1.075 77 I CA 1.249 62.688 61.300 0.232 0.000 1.332 77 I CB -1.019 37.076 38.000 0.158 0.000 1.033 77 I HN 0.534 8.744 8.210 0.000 0.000 0.410 78 I N 0.759 121.402 120.570 0.121 0.000 2.315 78 I HA -0.224 3.945 4.170 -0.001 0.000 0.248 78 I C 2.734 178.898 176.117 0.078 0.000 1.117 78 I CA 2.089 63.452 61.300 0.106 0.000 1.404 78 I CB -1.624 36.443 38.000 0.113 0.000 1.071 78 I HN 0.390 8.600 8.210 0.000 0.000 0.419 79 T N -1.284 113.302 114.554 0.053 0.000 2.939 79 T HA 0.110 4.459 4.350 -0.001 0.000 0.254 79 T C 1.363 176.039 174.700 -0.040 0.000 1.041 79 T CA 0.401 62.510 62.100 0.014 0.000 1.142 79 T CB -0.982 67.888 68.868 0.003 0.000 0.874 79 T HN 0.272 8.512 8.240 0.000 0.000 0.452 80 G N 1.415 110.159 108.800 -0.092 0.000 2.464 80 G HA2 0.450 4.409 3.960 -0.001 0.000 0.231 80 G HA3 0.450 4.409 3.960 -0.001 0.000 0.231 80 G C -0.163 174.602 174.900 -0.225 0.000 1.267 80 G CA -0.006 44.908 45.100 -0.311 0.000 0.863 80 G HN 1.118 9.408 8.290 0.000 0.000 0.559 81 A N 0.376 122.988 122.820 -0.346 0.000 2.540 81 A HA 0.604 4.923 4.320 -0.001 0.000 0.291 81 A C -1.170 176.336 177.584 -0.130 0.000 1.083 81 A CA -0.498 51.501 52.037 -0.064 0.000 0.650 81 A CB 1.031 20.029 19.000 -0.004 0.000 1.292 81 A HN 1.280 9.430 8.150 0.000 0.000 0.435 82 V N 1.411 121.346 119.914 0.034 0.000 2.350 82 V HA 0.414 4.534 4.120 -0.001 0.000 0.276 82 V C 0.000 176.078 176.094 -0.027 0.000 1.028 82 V CA -0.414 61.878 62.300 -0.012 0.000 0.860 82 V CB 1.196 33.083 31.823 0.106 0.000 0.990 82 V HN 0.680 8.870 8.190 0.000 0.000 0.453 83 V N 8.276 128.105 119.914 -0.140 0.000 2.686 83 V HA 0.233 4.352 4.120 -0.001 0.000 0.295 83 V C -2.034 173.841 176.094 -0.365 0.000 1.055 83 V CA -1.650 60.513 62.300 -0.228 0.000 1.050 83 V CB 1.102 32.783 31.823 -0.237 0.000 0.984 83 V HN 0.721 8.911 8.190 0.000 0.000 0.482 84 P HA 0.089 4.509 4.420 0.000 0.000 0.268 84 P C 0.001 177.019 177.300 -0.470 0.000 1.208 84 P CA -0.022 62.424 63.100 -1.091 0.000 0.777 84 P CB 0.333 31.504 31.700 -0.881 0.000 0.875 85 S N 1.151 116.692 115.700 -0.265 0.000 2.569 85 S HA 0.040 4.509 4.470 -0.001 0.000 0.274 85 S C 0.613 175.111 174.600 -0.171 0.000 1.353 85 S CA -0.469 57.635 58.200 -0.160 0.000 1.023 85 S CB -0.049 63.127 63.200 -0.041 0.000 0.876 85 S HN 0.485 8.795 8.310 0.000 0.000 0.540 86 S N 0.353 115.928 115.700 -0.209 0.000 2.569 86 S HA 0.023 4.492 4.470 -0.001 0.000 0.274 86 S C 1.045 175.574 174.600 -0.119 0.000 1.353 86 S CA -0.018 58.074 58.200 -0.179 0.000 1.023 86 S CB -0.039 63.044 63.200 -0.196 0.000 0.876 86 S HN 0.864 9.174 8.310 0.000 0.000 0.540 87 N N 1.797 120.433 118.700 -0.108 0.000 2.424 87 N HA 0.165 4.904 4.740 -0.001 0.000 0.178 87 N C 1.531 176.987 175.510 -0.090 0.000 1.060 87 N CA 0.976 53.977 53.050 -0.083 0.000 0.901 87 N CB -0.321 38.113 38.487 -0.088 0.000 0.979 87 N HN 0.611 8.991 8.380 0.000 0.000 0.451 88 A N 0.088 122.845 122.820 -0.105 0.000 2.015 88 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 88 A C 1.991 179.488 177.584 -0.144 0.000 1.163 88 A CA 0.783 52.755 52.037 -0.107 0.000 0.646 88 A CB -0.473 18.471 19.000 -0.092 0.000 0.806 88 A HN 0.379 8.529 8.150 0.000 0.000 0.448 89 I N -1.573 118.907 120.570 -0.149 0.000 2.584 89 I HA 0.107 4.276 4.170 -0.001 0.000 0.255 89 I C 1.994 178.072 176.117 -0.066 0.000 1.145 89 I CA 0.658 61.870 61.300 -0.147 0.000 1.462 89 I CB -0.525 37.377 38.000 -0.165 0.000 1.102 89 I HN 0.493 8.703 8.210 0.000 0.000 0.433 90 G N 1.675 110.468 108.800 -0.012 0.000 2.629 90 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.313 90 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.313 90 G C 0.583 175.602 174.900 0.198 0.000 1.217 90 G CA 0.470 45.597 45.100 0.045 0.000 0.994 90 G HN 0.277 8.567 8.290 0.000 0.000 0.549 91 L N 1.515 122.888 121.223 0.249 0.000 2.640 91 L HA 0.269 4.608 4.340 -0.001 0.000 0.230 91 L C 1.203 178.446 176.870 0.621 0.000 1.123 91 L CA -0.316 54.751 54.840 0.378 0.000 0.900 91 L CB -0.202 41.956 42.059 0.165 0.000 1.146 91 L HN 0.450 8.680 8.230 0.000 0.000 0.484 92 H N -0.255 119.017 119.070 0.338 0.000 2.871 92 H HA -0.041 4.514 4.556 -0.001 0.000 0.355 92 H C -0.461 175.123 175.328 0.427 0.000 1.092 92 H CA -0.445 55.804 56.048 0.335 0.000 1.420 92 H CB 0.923 30.832 29.762 0.246 0.000 1.400 92 H HN -0.087 8.193 8.280 0.000 0.000 0.604 93 F N 3.329 123.477 119.950 0.330 0.000 2.467 93 F HA 0.007 4.533 4.527 -0.001 0.000 0.362 93 F C -0.489 175.487 175.800 0.294 0.000 1.090 93 F CA -0.328 57.825 58.000 0.255 0.000 1.202 93 F CB 0.040 39.112 39.000 0.120 0.000 1.113 93 F HN 0.429 8.729 8.300 0.000 0.000 0.541 94 Y N 8.532 128.629 120.300 -0.338 0.000 2.562 94 Y HA 0.405 4.954 4.550 -0.001 0.000 0.363 94 Y C -2.469 173.220 175.900 -0.353 0.000 0.991 94 Y CA -3.066 54.907 58.100 -0.213 0.000 1.121 94 Y CB -0.113 38.324 38.460 -0.039 0.000 1.159 94 Y HN 0.392 8.672 8.280 0.000 0.000 0.651 95 P HA 0.164 4.584 4.420 0.000 0.000 0.277 95 P C 1.273 177.944 177.300 -1.049 0.000 1.240 95 P CA -0.041 62.388 63.100 -1.118 0.000 0.798 95 P CB 1.877 32.471 31.700 -1.844 0.000 0.979 96 I N 0.468 120.430 120.570 -1.013 0.000 2.185 96 I HA -0.240 3.929 4.170 -0.001 0.000 0.246 96 I C 1.800 177.542 176.117 -0.626 0.000 1.088 96 I CA 1.756 62.364 61.300 -1.153 0.000 1.347 96 I CB -0.743 36.592 38.000 -1.108 0.000 1.041 96 I HN 0.540 8.750 8.210 0.000 0.000 0.415 97 W N 1.509 122.629 121.300 -0.300 0.000 3.223 97 W HA 0.107 4.766 4.660 -0.001 0.000 0.249 97 W C 1.320 177.761 176.519 -0.129 0.000 1.331 97 W CA 0.028 57.268 57.345 -0.175 0.000 1.522 97 W CB -0.865 28.538 29.460 -0.094 0.000 1.098 97 W HN 0.042 8.222 8.180 0.000 0.000 0.729 98 E N 0.729 120.762 120.200 -0.278 0.000 2.562 98 E HA 0.380 4.729 4.350 -0.001 0.000 0.214 98 E C 0.092 176.608 176.600 -0.141 0.000 0.979 98 E CA -0.057 56.244 56.400 -0.165 0.000 1.002 98 E CB 0.237 29.763 29.700 -0.291 0.000 1.048 98 E HN 0.160 8.520 8.360 0.000 0.000 0.488 99 A N -0.070 122.650 122.820 -0.166 0.000 2.350 99 A HA 0.733 5.052 4.320 -0.001 0.000 0.324 99 A C 0.998 178.597 177.584 0.025 0.000 1.118 99 A CA -0.021 52.003 52.037 -0.022 0.000 0.783 99 A CB 1.216 20.228 19.000 0.019 0.000 1.236 99 A HN 0.176 8.326 8.150 0.000 0.000 0.457 100 A N 1.522 124.383 122.820 0.068 0.000 2.032 100 A HA 0.244 4.563 4.320 -0.001 0.000 0.221 100 A C 1.153 178.761 177.584 0.040 0.000 1.165 100 A CA 2.086 54.154 52.037 0.052 0.000 0.645 100 A CB -0.614 18.419 19.000 0.055 0.000 0.807 100 A HN 2.005 10.155 8.150 0.000 0.000 0.453 101 S N -3.998 111.736 115.700 0.056 0.000 2.636 101 S HA 0.532 5.002 4.470 -0.001 0.000 0.268 101 S C 0.296 174.954 174.600 0.096 0.000 1.159 101 S CA -0.334 57.897 58.200 0.051 0.000 0.815 101 S CB 0.494 63.726 63.200 0.053 0.000 1.130 101 S HN 0.041 8.351 8.310 0.000 0.000 0.471 102 L N 0.701 121.977 121.223 0.088 0.000 2.056 102 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 102 L C 1.940 178.962 176.870 0.253 0.000 1.078 102 L CA 1.505 56.453 54.840 0.181 0.000 0.749 102 L CB -0.631 41.499 42.059 0.119 0.000 0.901 102 L HN 0.719 8.949 8.230 0.000 0.000 0.433 103 D N -0.109 120.385 120.400 0.157 0.000 2.149 103 D HA -0.274 4.366 4.640 -0.001 0.000 0.194 103 D C 2.075 178.471 176.300 0.160 0.000 1.001 103 D CA 1.431 55.512 54.000 0.134 0.000 0.849 103 D CB 0.037 40.885 40.800 0.078 0.000 0.939 103 D HN 0.375 8.745 8.370 0.000 0.000 0.449 104 E N -1.210 119.090 120.200 0.168 0.000 2.107 104 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 104 E C 1.939 178.747 176.600 0.347 0.000 0.982 104 E CA 0.553 57.068 56.400 0.192 0.000 0.809 104 E CB -0.199 29.606 29.700 0.175 0.000 0.756 104 E HN 0.404 8.764 8.360 0.000 0.000 0.459 105 W N 1.182 122.581 121.300 0.165 0.000 2.418 105 W HA -0.034 4.625 4.660 -0.001 0.000 0.292 105 W C 1.687 178.317 176.519 0.185 0.000 1.213 105 W CA 1.117 58.599 57.345 0.228 0.000 1.283 105 W CB -0.097 29.380 29.460 0.029 0.000 1.119 105 W HN 0.040 8.220 8.180 0.000 0.000 0.542 106 L N -0.731 120.582 121.223 0.150 0.000 2.291 106 L HA -0.150 4.189 4.340 -0.001 0.000 0.214 106 L C 2.168 178.995 176.870 -0.072 0.000 1.120 106 L CA 0.997 55.795 54.840 -0.070 0.000 0.799 106 L CB -1.014 41.065 42.059 0.033 0.000 0.925 106 L HN 0.024 8.254 8.230 0.000 0.000 0.446 107 Y N 0.702 120.951 120.300 -0.086 0.000 2.337 107 Y HA -0.021 4.528 4.550 -0.001 0.000 0.293 107 Y C 1.998 177.812 175.900 -0.144 0.000 1.123 107 Y CA 1.163 59.203 58.100 -0.099 0.000 1.201 107 Y CB 0.148 38.583 38.460 -0.042 0.000 1.011 107 Y HN 0.174 8.454 8.280 0.000 0.000 0.545 108 N N -0.054 118.664 118.700 0.030 0.000 2.314 108 N HA 0.097 4.836 4.740 -0.001 0.000 0.200 108 N C 0.703 176.030 175.510 -0.306 0.000 1.135 108 N CA 0.741 53.692 53.050 -0.166 0.000 0.835 108 N CB 0.347 38.664 38.487 -0.282 0.000 0.989 108 N HN 0.468 8.848 8.380 0.000 0.000 0.478 109 G N 1.020 109.631 108.800 -0.316 0.000 2.198 109 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.257 109 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.257 109 G C 1.058 175.700 174.900 -0.431 0.000 1.042 109 G CA 0.225 45.114 45.100 -0.351 0.000 0.791 109 G HN 0.433 8.723 8.290 0.000 0.000 0.502 110 G N 0.667 109.025 108.800 -0.737 0.000 2.459 110 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.217 110 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.217 110 G C 0.168 174.467 174.900 -1.002 0.000 1.183 110 G CA 1.647 46.077 45.100 -1.117 0.000 0.776 110 G HN 0.535 8.825 8.290 0.000 0.000 0.552 111 P HA -0.239 4.181 4.420 0.000 0.000 0.218 111 P C 1.407 178.576 177.300 -0.219 0.000 1.152 111 P CA 1.229 64.019 63.100 -0.517 0.000 0.857 111 P CB -0.146 31.327 31.700 -0.379 0.000 0.787 112 Y N 0.683 120.778 120.300 -0.341 0.000 2.081 112 Y HA -0.291 4.258 4.550 -0.001 0.000 0.280 112 Y C 2.370 178.054 175.900 -0.361 0.000 1.163 112 Y CA 1.851 59.778 58.100 -0.289 0.000 1.135 112 Y CB -0.972 37.327 38.460 -0.268 0.000 0.970 112 Y HN 0.023 8.303 8.280 0.000 0.000 0.498 113 Q N -0.263 119.290 119.800 -0.413 0.000 2.050 113 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 113 Q C 2.447 178.199 176.000 -0.413 0.000 0.980 113 Q CA 1.736 57.107 55.803 -0.719 0.000 0.840 113 Q CB -0.464 27.990 28.738 -0.473 0.000 0.898 113 Q HN 0.613 8.883 8.270 0.000 0.000 0.424 114 L N 0.724 121.905 121.223 -0.071 0.000 2.081 114 L HA -0.239 4.100 4.340 -0.001 0.000 0.212 114 L C 2.033 178.934 176.870 0.052 0.000 1.080 114 L CA 1.246 56.163 54.840 0.129 0.000 0.754 114 L CB -0.095 42.082 42.059 0.196 0.000 0.893 114 L HN 0.240 8.470 8.230 0.000 0.000 0.433 115 I N -0.051 120.432 120.570 -0.147 0.000 2.206 115 I HA -0.257 3.912 4.170 -0.001 0.000 0.239 115 I C 2.509 178.461 176.117 -0.275 0.000 1.078 115 I CA 1.498 62.693 61.300 -0.174 0.000 1.367 115 I CB -0.417 37.471 38.000 -0.187 0.000 1.078 115 I HN 0.316 8.526 8.210 0.000 0.000 0.413 116 I N -0.716 119.465 120.570 -0.649 0.000 2.208 116 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 116 I C 2.441 178.374 176.117 -0.307 0.000 1.097 116 I CA 1.845 62.709 61.300 -0.726 0.000 1.363 116 I CB -0.843 36.485 38.000 -1.120 0.000 1.051 116 I HN -0.040 8.170 8.210 0.000 0.000 0.413 117 F N 1.625 121.477 119.950 -0.164 0.000 2.102 117 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 117 F C 2.654 178.438 175.800 -0.026 0.000 1.105 117 F CA 1.819 59.777 58.000 -0.069 0.000 1.239 117 F CB -1.531 37.458 39.000 -0.020 0.000 0.991 117 F HN 0.121 8.421 8.300 0.000 0.000 0.474 118 H N -1.702 117.465 119.070 0.162 0.000 2.357 118 H HA -0.139 4.416 4.556 -0.001 0.000 0.301 118 H C 1.954 177.321 175.328 0.064 0.000 1.082 118 H CA 1.782 57.898 56.048 0.114 0.000 1.342 118 H CB -0.707 29.119 29.762 0.106 0.000 1.389 118 H HN 0.196 8.476 8.280 0.000 0.000 0.511 119 F N 0.952 120.923 119.950 0.036 0.000 2.051 119 F HA -0.182 4.344 4.527 -0.001 0.000 0.296 119 F C 2.007 177.782 175.800 -0.041 0.000 1.122 119 F CA 1.307 59.273 58.000 -0.056 0.000 1.201 119 F CB -0.750 38.123 39.000 -0.211 0.000 0.978 119 F HN 0.044 8.344 8.300 0.000 0.000 0.472 120 L N -0.297 120.758 121.223 -0.280 0.000 2.081 120 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 120 L C 2.458 179.206 176.870 -0.203 0.000 1.080 120 L CA 1.066 55.649 54.840 -0.429 0.000 0.754 120 L CB -0.807 40.974 42.059 -0.462 0.000 0.893 120 L HN 0.324 8.554 8.230 0.000 0.000 0.433 121 L N -0.026 121.161 121.223 -0.061 0.000 1.961 121 L HA -0.117 4.222 4.340 -0.001 0.000 0.210 121 L C 2.472 179.362 176.870 0.034 0.000 1.072 121 L CA 2.328 57.192 54.840 0.040 0.000 0.749 121 L CB -1.256 40.820 42.059 0.029 0.000 0.889 121 L HN 0.167 8.397 8.230 0.000 0.000 0.432 122 G N -1.283 107.514 108.800 -0.006 0.000 2.446 122 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.217 122 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.217 122 G C 1.564 176.465 174.900 0.001 0.000 1.168 122 G CA 0.922 46.038 45.100 0.027 0.000 0.771 122 G HN 0.649 8.939 8.290 0.000 0.000 0.551 123 A N 0.385 123.057 122.820 -0.246 0.000 2.076 123 A HA 0.057 4.377 4.320 -0.001 0.000 0.220 123 A C 2.641 180.326 177.584 0.169 0.000 1.160 123 A CA 2.200 54.139 52.037 -0.163 0.000 0.653 123 A CB -0.321 18.270 19.000 -0.681 0.000 0.801 123 A HN 0.340 8.490 8.150 0.000 0.000 0.455 124 S N -1.028 114.758 115.700 0.143 0.000 2.348 124 S HA -0.138 4.331 4.470 -0.001 0.000 0.219 124 S C 1.900 176.565 174.600 0.108 0.000 1.033 124 S CA 1.156 59.470 58.200 0.190 0.000 0.974 124 S CB -0.659 62.669 63.200 0.213 0.000 0.868 124 S HN 0.732 9.042 8.310 0.000 0.000 0.459 125 C N 0.931 120.300 119.300 0.116 0.000 2.411 125 C HA -0.101 4.358 4.460 -0.001 0.000 0.279 125 C C 2.325 177.337 174.990 0.037 0.000 1.288 125 C CA 0.477 59.546 59.018 0.086 0.000 1.764 125 C CB -1.482 26.418 27.740 0.266 0.000 1.974 125 C HN 0.675 8.905 8.230 0.000 0.000 0.498 126 Y N 0.929 121.239 120.300 0.017 0.000 2.256 126 Y HA -0.250 4.300 4.550 -0.001 0.000 0.288 126 Y C 2.509 178.369 175.900 -0.066 0.000 1.155 126 Y CA 2.007 60.095 58.100 -0.020 0.000 1.203 126 Y CB -0.346 38.108 38.460 -0.012 0.000 0.980 126 Y HN 0.351 8.631 8.280 0.000 0.000 0.530 127 M N -0.790 118.910 119.600 0.167 0.000 2.123 127 M HA 0.000 4.480 4.480 -0.001 0.000 0.263 127 M C 2.356 178.582 176.300 -0.125 0.000 1.069 127 M CA 1.973 57.357 55.300 0.141 0.000 1.133 127 M CB -0.580 32.189 32.600 0.281 0.000 1.356 127 M HN 0.288 8.578 8.290 0.000 0.000 0.415 128 G N 0.166 108.677 108.800 -0.481 0.000 2.475 128 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.220 128 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.220 128 G C 1.651 176.336 174.900 -0.358 0.000 1.125 128 G CA 0.996 45.363 45.100 -1.223 0.000 0.755 128 G HN 0.461 8.751 8.290 0.000 0.000 0.565 129 R N -0.176 120.240 120.500 -0.140 0.000 2.062 129 R HA 0.009 4.348 4.340 -0.001 0.000 0.229 129 R C 2.657 178.974 176.300 0.028 0.000 1.128 129 R CA 1.003 57.156 56.100 0.088 0.000 0.960 129 R CB -0.233 30.030 30.300 -0.061 0.000 0.855 129 R HN 0.380 8.650 8.270 0.000 0.000 0.432 130 Q N -0.982 118.743 119.800 -0.125 0.000 2.515 130 Q HA -0.227 4.112 4.340 -0.001 0.000 0.215 130 Q C 1.168 177.188 176.000 0.034 0.000 0.983 130 Q CA 1.342 57.082 55.803 -0.105 0.000 0.905 130 Q CB 0.002 28.654 28.738 -0.143 0.000 0.961 130 Q HN 0.494 8.764 8.270 0.000 0.000 0.503 131 W N 0.755 122.033 121.300 -0.037 0.000 2.783 131 W HA 0.031 4.690 4.660 -0.001 0.000 0.287 131 W C 1.873 178.434 176.519 0.069 0.000 1.085 131 W CA 0.679 58.028 57.345 0.006 0.000 1.646 131 W CB -0.292 29.169 29.460 0.002 0.000 1.135 131 W HN -0.026 8.154 8.180 0.000 0.000 0.548 132 E N 0.555 120.579 120.200 -0.294 0.000 2.086 132 E HA -0.361 3.988 4.350 -0.001 0.000 0.205 132 E C 2.162 178.491 176.600 -0.451 0.000 1.027 132 E CA 2.444 58.454 56.400 -0.651 0.000 0.830 132 E CB -0.594 29.288 29.700 0.303 0.000 0.751 132 E HN 0.303 8.663 8.360 0.000 0.000 0.456 133 L N 0.843 121.928 121.223 -0.231 0.000 2.079 133 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 133 L C 2.514 179.141 176.870 -0.405 0.000 1.081 133 L CA 2.390 56.947 54.840 -0.472 0.000 0.752 133 L CB -0.742 41.130 42.059 -0.311 0.000 0.896 133 L HN 0.274 8.504 8.230 0.000 0.000 0.433 134 S N -1.844 113.659 115.700 -0.330 0.000 2.399 134 S HA -0.280 4.189 4.470 -0.001 0.000 0.231 134 S C 2.125 176.555 174.600 -0.284 0.000 1.022 134 S CA 1.232 59.270 58.200 -0.269 0.000 0.983 134 S CB -0.972 62.104 63.200 -0.207 0.000 0.803 134 S HN 0.566 8.876 8.310 0.000 0.000 0.480 135 Y N 3.221 123.160 120.300 -0.601 0.000 2.130 135 Y HA 0.109 4.658 4.550 -0.001 0.000 0.287 135 Y C 2.447 178.115 175.900 -0.386 0.000 1.124 135 Y CA 1.470 59.252 58.100 -0.531 0.000 1.118 135 Y CB -0.462 37.518 38.460 -0.799 0.000 0.994 135 Y HN 0.117 8.397 8.280 0.000 0.000 0.497 136 R N 0.439 120.677 120.500 -0.437 0.000 2.249 136 R HA -0.088 4.251 4.340 -0.001 0.000 0.230 136 R C 1.673 177.732 176.300 -0.401 0.000 1.121 136 R CA 1.005 56.825 56.100 -0.466 0.000 0.997 136 R CB -0.960 29.037 30.300 -0.505 0.000 0.867 136 R HN 0.447 8.717 8.270 0.000 0.000 0.465 137 L N -0.813 120.197 121.223 -0.354 0.000 2.693 137 L HA 0.248 4.587 4.340 -0.001 0.000 0.235 137 L C 0.922 177.658 176.870 -0.222 0.000 1.127 137 L CA 0.334 55.012 54.840 -0.270 0.000 0.914 137 L CB 0.179 42.094 42.059 -0.240 0.000 1.193 137 L HN 0.310 8.540 8.230 0.000 0.000 0.502 138 G N 1.551 110.203 108.800 -0.246 0.000 2.155 138 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.257 138 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.257 138 G C 0.308 175.124 174.900 -0.141 0.000 0.983 138 G CA 0.698 45.684 45.100 -0.190 0.000 0.676 138 G HN 0.434 8.724 8.290 0.000 0.000 0.528 139 M N -0.621 118.893 119.600 -0.144 0.000 2.444 139 M HA 0.748 5.227 4.480 -0.001 0.000 0.319 139 M C 0.659 176.880 176.300 -0.131 0.000 1.183 139 M CA -1.061 54.169 55.300 -0.117 0.000 1.032 139 M CB 0.964 33.502 32.600 -0.102 0.000 1.569 139 M HN 0.073 8.363 8.290 0.000 0.000 0.468 140 R N 1.092 121.511 120.500 -0.135 0.000 2.756 140 R HA 0.181 4.520 4.340 -0.001 0.000 0.264 140 R C -1.885 174.262 176.300 -0.255 0.000 1.026 140 R CA -1.026 54.930 56.100 -0.240 0.000 1.121 140 R CB -0.243 29.928 30.300 -0.216 0.000 0.999 140 R HN 0.545 8.815 8.270 0.000 0.000 0.449 141 P HA -0.123 4.297 4.420 0.000 0.000 0.251 141 P C 0.106 177.375 177.300 -0.052 0.000 1.289 141 P CA 0.379 63.321 63.100 -0.264 0.000 0.676 141 P CB -0.005 31.487 31.700 -0.347 0.000 1.294 142 W N -2.426 118.966 121.300 0.153 0.000 2.655 142 W HA -0.249 4.410 4.660 -0.001 0.000 0.253 142 W C 2.030 178.623 176.519 0.122 0.000 0.978 142 W CA 0.330 57.759 57.345 0.139 0.000 0.527 142 W CB -2.594 26.942 29.460 0.128 0.000 1.983 142 W HN 0.164 8.344 8.180 0.000 0.000 1.579 143 I N 0.777 121.514 120.570 0.279 0.000 2.163 143 I HA -0.339 3.830 4.170 -0.001 0.000 0.243 143 I C 2.567 178.806 176.117 0.204 0.000 1.085 143 I CA 2.268 63.684 61.300 0.193 0.000 1.347 143 I CB -0.748 37.317 38.000 0.108 0.000 1.044 143 I HN 0.234 8.444 8.210 0.000 0.000 0.408 144 C N -0.556 118.872 119.300 0.214 0.000 2.409 144 C HA -0.081 4.378 4.460 -0.001 0.000 0.284 144 C C 2.537 177.695 174.990 0.280 0.000 1.354 144 C CA 0.050 59.211 59.018 0.239 0.000 1.787 144 C CB -1.586 26.290 27.740 0.227 0.000 1.900 144 C HN 0.344 8.574 8.230 0.000 0.000 0.520 145 V N 1.357 121.444 119.914 0.288 0.000 2.871 145 V HA 0.025 4.145 4.120 -0.001 0.000 0.256 145 V C 3.010 179.201 176.094 0.161 0.000 1.082 145 V CA 1.698 64.170 62.300 0.286 0.000 1.105 145 V CB -0.830 31.196 31.823 0.338 0.000 0.713 145 V HN 0.723 8.913 8.190 0.000 0.000 0.473 146 A N -0.838 122.047 122.820 0.108 0.000 1.897 146 A HA -0.200 4.120 4.320 -0.001 0.000 0.215 146 A C 2.058 179.637 177.584 -0.008 0.000 1.181 146 A CA 1.372 53.382 52.037 -0.045 0.000 0.620 146 A CB -0.660 18.350 19.000 0.016 0.000 0.821 146 A HN 0.598 8.748 8.150 0.000 0.000 0.443 147 Y N 1.754 122.058 120.300 0.007 0.000 2.632 147 Y HA -0.079 4.471 4.550 -0.001 0.000 0.301 147 Y C 2.439 178.375 175.900 0.059 0.000 1.172 147 Y CA 0.887 59.013 58.100 0.044 0.000 1.328 147 Y CB -0.240 38.295 38.460 0.124 0.000 1.016 147 Y HN 0.416 8.696 8.280 0.000 0.000 0.529 148 S N -0.905 114.820 115.700 0.042 0.000 2.461 148 S HA -0.035 4.434 4.470 -0.001 0.000 0.228 148 S C 2.115 176.739 174.600 0.040 0.000 1.005 148 S CA 0.522 58.766 58.200 0.073 0.000 0.942 148 S CB -0.518 62.870 63.200 0.315 0.000 0.776 148 S HN 0.432 8.742 8.310 0.000 0.000 0.514 149 A N 3.396 126.111 122.820 -0.176 0.000 1.840 149 A HA 0.194 4.513 4.320 -0.001 0.000 0.214 149 A C 0.362 177.848 177.584 -0.163 0.000 1.198 149 A CA 1.026 52.899 52.037 -0.273 0.000 0.608 149 A CB -1.546 17.083 19.000 -0.618 0.000 0.839 149 A HN 0.586 8.736 8.150 0.000 0.000 0.443 150 P HA -0.139 4.281 4.420 0.000 0.000 0.218 150 P C 1.648 178.848 177.300 -0.167 0.000 1.149 150 P CA 1.020 64.019 63.100 -0.168 0.000 0.817 150 P CB -0.132 31.485 31.700 -0.138 0.000 0.785 151 L N 0.725 121.757 121.223 -0.319 0.000 2.005 151 L HA 0.008 4.348 4.340 -0.001 0.000 0.207 151 L C 2.473 179.417 176.870 0.125 0.000 1.072 151 L CA 2.101 56.849 54.840 -0.153 0.000 0.744 151 L CB -1.720 40.167 42.059 -0.286 0.000 0.895 151 L HN -0.095 8.135 8.230 0.000 0.000 0.433 152 A N -1.623 121.237 122.820 0.066 0.000 2.186 152 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 152 A C 2.270 179.946 177.584 0.153 0.000 1.159 152 A CA 1.848 53.956 52.037 0.119 0.000 0.680 152 A CB -0.681 18.391 19.000 0.120 0.000 0.787 152 A HN 0.596 8.746 8.150 0.000 0.000 0.467 153 S N -0.503 115.251 115.700 0.091 0.000 2.371 153 S HA 0.186 4.655 4.470 -0.001 0.000 0.219 153 S C 2.395 177.010 174.600 0.025 0.000 1.040 153 S CA 0.662 58.882 58.200 0.034 0.000 0.958 153 S CB -0.529 62.649 63.200 -0.037 0.000 0.860 153 S HN 0.790 9.100 8.310 0.000 0.000 0.487 154 A N 1.275 124.130 122.820 0.059 0.000 1.927 154 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 154 A C 1.865 179.544 177.584 0.157 0.000 1.185 154 A CA 1.656 53.736 52.037 0.072 0.000 0.639 154 A CB -1.076 18.157 19.000 0.390 0.000 0.820 154 A HN 0.429 8.579 8.150 0.000 0.000 0.451 155 F N -0.021 120.025 119.950 0.160 0.000 2.095 155 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 155 F C 2.819 178.717 175.800 0.163 0.000 1.104 155 F CA 1.475 59.587 58.000 0.188 0.000 1.232 155 F CB -0.453 38.626 39.000 0.132 0.000 0.987 155 F HN 0.273 8.573 8.300 0.000 0.000 0.475 156 A N -0.812 122.180 122.820 0.286 0.000 1.902 156 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 156 A C 2.308 179.985 177.584 0.155 0.000 1.181 156 A CA 1.917 54.078 52.037 0.208 0.000 0.623 156 A CB -1.189 17.895 19.000 0.139 0.000 0.818 156 A HN 0.211 8.361 8.150 0.000 0.000 0.443 157 V N -1.801 118.098 119.914 -0.024 0.000 2.719 157 V HA -0.057 4.062 4.120 -0.001 0.000 0.252 157 V C 1.738 177.701 176.094 -0.218 0.000 1.065 157 V CA 1.353 63.512 62.300 -0.235 0.000 1.086 157 V CB -0.558 30.918 31.823 -0.578 0.000 0.700 157 V HN 0.558 8.748 8.190 0.000 0.000 0.467 158 F N -1.809 118.162 119.950 0.035 0.000 2.717 158 F HA 0.314 4.840 4.527 -0.001 0.000 0.295 158 F C 1.345 177.242 175.800 0.162 0.000 1.117 158 F CA 0.299 58.329 58.000 0.050 0.000 1.361 158 F CB 0.532 39.504 39.000 -0.047 0.000 1.112 158 F HN 0.099 8.399 8.300 0.000 0.000 0.594 159 L N -1.736 119.706 121.223 0.365 0.000 2.658 159 L HA 0.274 4.613 4.340 -0.001 0.000 0.222 159 L C 1.663 178.695 176.870 0.271 0.000 1.033 159 L CA 0.633 55.693 54.840 0.367 0.000 0.949 159 L CB -0.418 41.866 42.059 0.376 0.000 1.698 159 L HN -0.237 7.993 8.230 0.000 0.000 0.498 160 I N 0.069 120.812 120.570 0.287 0.000 2.142 160 I HA -0.254 3.915 4.170 -0.001 0.000 0.240 160 I C 2.483 178.659 176.117 0.098 0.000 1.078 160 I CA 1.792 63.225 61.300 0.222 0.000 1.343 160 I CB -1.401 36.756 38.000 0.263 0.000 1.046 160 I HN 0.359 8.569 8.210 0.000 0.000 0.405 161 Y N 2.229 122.569 120.300 0.067 0.000 2.151 161 Y HA -0.177 4.373 4.550 -0.001 0.000 0.284 161 Y C -0.383 175.517 175.900 0.000 0.000 1.166 161 Y CA 1.892 60.024 58.100 0.053 0.000 1.163 161 Y CB -1.800 36.804 38.460 0.241 0.000 0.974 161 Y HN 0.140 8.420 8.280 0.000 0.000 0.511 162 P HA -0.146 4.274 4.420 0.000 0.000 0.216 162 P C 1.864 178.950 177.300 -0.356 0.000 1.153 162 P CA 2.017 64.964 63.100 -0.256 0.000 0.844 162 P CB -0.044 31.510 31.700 -0.244 0.000 0.787 163 I N -0.615 119.805 120.570 -0.250 0.000 2.127 163 I HA -0.229 3.940 4.170 -0.001 0.000 0.241 163 I C 2.516 178.521 176.117 -0.188 0.000 1.075 163 I CA 2.012 63.216 61.300 -0.159 0.000 1.334 163 I CB -1.355 36.658 38.000 0.021 0.000 1.040 163 I HN 0.017 8.227 8.210 0.000 0.000 0.405 164 G N -0.033 108.562 108.800 -0.342 0.000 2.476 164 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 164 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 164 G C 1.515 176.163 174.900 -0.419 0.000 1.164 164 G CA 0.504 45.240 45.100 -0.607 0.000 0.768 164 G HN 0.319 8.609 8.290 0.000 0.000 0.560 165 Q N 0.043 119.554 119.800 -0.481 0.000 2.472 165 Q HA 0.126 4.465 4.340 -0.001 0.000 0.208 165 Q C 1.922 177.793 176.000 -0.216 0.000 0.958 165 Q CA 0.801 56.382 55.803 -0.371 0.000 0.932 165 Q CB 0.194 28.620 28.738 -0.520 0.000 1.007 165 Q HN 0.651 8.921 8.270 0.000 0.000 0.508 166 G N 0.896 109.579 108.800 -0.194 0.000 2.157 166 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.248 166 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.248 166 G C 0.116 174.945 174.900 -0.119 0.000 0.979 166 G CA 0.553 45.582 45.100 -0.118 0.000 0.650 166 G HN 0.433 8.723 8.290 0.000 0.000 0.529 167 S N -2.035 113.553 115.700 -0.185 0.000 2.543 167 S HA 0.641 5.110 4.470 -0.001 0.000 0.274 167 S C 0.289 174.783 174.600 -0.178 0.000 1.149 167 S CA -0.098 58.020 58.200 -0.137 0.000 0.866 167 S CB 0.474 63.639 63.200 -0.058 0.000 1.111 167 S HN 0.429 8.739 8.310 0.000 0.000 0.457 168 F N 2.366 122.359 119.950 0.072 0.000 2.558 168 F HA 0.060 4.586 4.527 -0.001 0.000 0.298 168 F C 2.696 178.514 175.800 0.032 0.000 1.119 168 F CA 0.982 59.050 58.000 0.113 0.000 1.451 168 F CB 0.168 39.262 39.000 0.156 0.000 1.091 168 F HN 0.738 9.038 8.300 0.000 0.000 0.563 169 S N -1.308 114.450 115.700 0.096 0.000 2.507 169 S HA -0.154 4.315 4.470 -0.001 0.000 0.235 169 S C 1.327 175.938 174.600 0.018 0.000 0.988 169 S CA 1.222 59.407 58.200 -0.024 0.000 0.944 169 S CB -0.267 62.902 63.200 -0.052 0.000 0.762 169 S HN 0.219 8.529 8.310 0.000 0.000 0.526 170 D N 1.492 121.944 120.400 0.086 0.000 2.340 170 D HA 0.323 4.962 4.640 -0.001 0.000 0.217 170 D C 0.804 177.343 176.300 0.398 0.000 1.081 170 D CA 0.069 54.194 54.000 0.208 0.000 0.842 170 D CB 0.288 41.164 40.800 0.128 0.000 0.934 170 D HN 0.525 8.895 8.370 0.000 0.000 0.511 171 G N 0.283 109.253 108.800 0.282 0.000 2.537 171 G HA2 0.270 4.230 3.960 -0.001 0.000 0.273 171 G HA3 0.270 4.230 3.960 -0.001 0.000 0.273 171 G C 0.088 175.036 174.900 0.081 0.000 1.189 171 G CA -0.608 44.681 45.100 0.316 0.000 0.881 171 G HN 0.136 8.426 8.290 0.000 0.000 0.535 172 M N 1.629 121.007 119.600 -0.370 0.000 2.246 172 M HA 0.173 4.652 4.480 -0.001 0.000 0.350 172 M C -2.070 174.206 176.300 -0.038 0.000 1.406 172 M CA -0.989 53.911 55.300 -0.667 0.000 1.089 172 M CB 0.901 32.720 32.600 -1.302 0.000 1.782 172 M HN 0.151 8.441 8.290 0.000 0.000 0.457 173 P HA 0.044 4.464 4.420 0.000 0.000 0.271 173 P C -1.060 176.327 177.300 0.144 0.000 1.233 173 P CA -0.001 63.111 63.100 0.021 0.000 0.789 173 P CB 0.399 32.081 31.700 -0.031 0.000 0.951 174 L N 1.419 122.766 121.223 0.207 0.000 2.512 174 L HA 0.600 4.939 4.340 -0.001 0.000 0.247 174 L C 0.754 177.775 176.870 0.252 0.000 1.204 174 L CA -0.026 54.964 54.840 0.250 0.000 1.153 174 L CB -0.498 41.766 42.059 0.343 0.000 1.415 174 L HN 0.513 8.743 8.230 0.000 0.000 0.406 175 G N 0.011 108.888 108.800 0.129 0.000 2.547 175 G HA2 0.318 4.278 3.960 -0.001 0.000 0.291 175 G HA3 0.318 4.278 3.960 -0.001 0.000 0.291 175 G C 0.349 175.215 174.900 -0.057 0.000 1.471 175 G CA -0.744 44.433 45.100 0.129 0.000 0.798 175 G HN -0.052 8.238 8.290 0.000 0.000 0.504 176 I N 0.707 121.224 120.570 -0.088 0.000 2.045 176 I HA -0.157 4.013 4.170 -0.001 0.000 0.233 176 I C 2.829 178.489 176.117 -0.763 0.000 1.048 176 I CA 2.048 63.141 61.300 -0.346 0.000 1.313 176 I CB -1.513 36.387 38.000 -0.167 0.000 1.043 176 I HN 0.462 8.672 8.210 0.000 0.000 0.393 177 S N 1.027 116.471 115.700 -0.426 0.000 2.383 177 S HA -0.117 4.352 4.470 -0.001 0.000 0.229 177 S C 2.109 176.602 174.600 -0.178 0.000 1.030 177 S CA 1.261 59.308 58.200 -0.255 0.000 1.002 177 S CB -0.852 62.366 63.200 0.030 0.000 0.829 177 S HN 0.685 8.995 8.310 0.000 0.000 0.467 178 G N 1.069 109.785 108.800 -0.140 0.000 2.448 178 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 178 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 178 G C 1.387 176.263 174.900 -0.040 0.000 1.127 178 G CA 1.446 46.513 45.100 -0.055 0.000 0.766 178 G HN 0.498 8.788 8.290 0.000 0.000 0.552 179 T N 1.131 115.580 114.554 -0.175 0.000 2.851 179 T HA -0.002 4.347 4.350 -0.001 0.000 0.262 179 T C 1.983 176.725 174.700 0.070 0.000 1.043 179 T CA 0.691 62.732 62.100 -0.098 0.000 1.140 179 T CB -0.262 68.475 68.868 -0.219 0.000 0.872 179 T HN 0.198 8.438 8.240 0.000 0.000 0.446 180 F N 2.355 122.356 119.950 0.085 0.000 2.216 180 F HA -0.020 4.506 4.527 -0.001 0.000 0.300 180 F C 2.363 178.209 175.800 0.078 0.000 1.085 180 F CA -0.183 57.858 58.000 0.068 0.000 1.326 180 F CB -1.106 37.922 39.000 0.048 0.000 1.027 180 F HN 0.190 8.490 8.300 0.000 0.000 0.497 181 N N 0.247 119.093 118.700 0.242 0.000 2.080 181 N HA -0.238 4.502 4.740 -0.001 0.000 0.189 181 N C 2.077 177.708 175.510 0.201 0.000 1.036 181 N CA 1.119 54.280 53.050 0.185 0.000 0.846 181 N CB -0.557 38.014 38.487 0.141 0.000 1.015 181 N HN 0.233 8.613 8.380 0.000 0.000 0.423 182 F N 1.829 121.817 119.950 0.063 0.000 2.120 182 F HA -0.166 4.360 4.527 -0.001 0.000 0.300 182 F C 2.419 178.264 175.800 0.076 0.000 1.095 182 F CA 1.494 59.529 58.000 0.060 0.000 1.249 182 F CB -0.304 38.691 39.000 -0.008 0.000 0.995 182 F HN 0.049 8.349 8.300 0.000 0.000 0.480 183 M N -0.233 119.422 119.600 0.093 0.000 2.064 183 M HA -0.202 4.278 4.480 -0.001 0.000 0.260 183 M C 2.336 178.638 176.300 0.003 0.000 1.073 183 M CA 1.945 57.241 55.300 -0.007 0.000 1.124 183 M CB -0.777 31.883 32.600 0.100 0.000 1.326 183 M HN 0.122 8.412 8.290 0.000 0.000 0.410 184 I N 0.000 120.598 120.570 0.047 0.000 2.151 184 I HA -0.293 3.876 4.170 -0.001 0.000 0.243 184 I C 2.362 178.459 176.117 -0.033 0.000 1.080 184 I CA 1.344 62.653 61.300 0.015 0.000 1.339 184 I CB -0.608 37.416 38.000 0.039 0.000 1.039 184 I HN 0.129 8.339 8.210 0.000 0.000 0.409 185 V N 0.447 120.339 119.914 -0.037 0.000 2.307 185 V HA -0.285 3.835 4.120 -0.001 0.000 0.245 185 V C 2.264 178.258 176.094 -0.167 0.000 1.045 185 V CA 1.745 63.968 62.300 -0.129 0.000 1.024 185 V CB -0.763 31.019 31.823 -0.069 0.000 0.651 185 V HN 0.261 8.451 8.190 0.000 0.000 0.449 186 F N 1.172 120.934 119.950 -0.313 0.000 2.027 186 F HA -0.371 4.155 4.527 -0.001 0.000 0.297 186 F C 2.735 178.416 175.800 -0.198 0.000 1.129 186 F CA 2.632 60.439 58.000 -0.323 0.000 1.195 186 F CB -0.562 38.102 39.000 -0.561 0.000 0.960 186 F HN 0.181 8.481 8.300 0.000 0.000 0.485 187 Q N 0.707 120.525 119.800 0.030 0.000 2.118 187 Q HA -0.261 4.078 4.340 -0.001 0.000 0.211 187 Q C 2.029 177.960 176.000 -0.116 0.000 0.998 187 Q CA 2.529 58.315 55.803 -0.029 0.000 0.872 187 Q CB -0.920 27.800 28.738 -0.030 0.000 0.925 187 Q HN 0.477 8.747 8.270 0.000 0.000 0.414 188 A N 0.226 122.947 122.820 -0.165 0.000 1.902 188 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 188 A C 1.879 179.297 177.584 -0.275 0.000 1.181 188 A CA 1.677 53.592 52.037 -0.204 0.000 0.623 188 A CB -0.507 18.345 19.000 -0.248 0.000 0.818 188 A HN 0.609 8.759 8.150 0.000 0.000 0.443 189 E N -1.692 118.262 120.200 -0.409 0.000 2.299 189 E HA -0.043 4.306 4.350 -0.001 0.000 0.193 189 E C 0.897 177.056 176.600 -0.736 0.000 0.998 189 E CA 0.743 56.800 56.400 -0.571 0.000 0.851 189 E CB -0.006 29.278 29.700 -0.693 0.000 0.795 189 E HN 0.743 9.103 8.360 0.000 0.000 0.492 190 H N -0.574 118.288 119.070 -0.348 0.000 3.440 190 H HA 0.094 4.649 4.556 -0.001 0.000 0.259 190 H C 0.114 175.341 175.328 -0.169 0.000 1.120 190 H CA -0.032 55.828 56.048 -0.314 0.000 1.191 190 H CB 0.569 29.982 29.762 -0.582 0.000 1.537 190 H HN 0.034 8.314 8.280 0.000 0.000 0.547 191 N N 1.467 120.141 118.700 -0.044 0.000 2.667 191 N HA -0.197 4.542 4.740 -0.001 0.000 0.263 191 N C 0.888 176.423 175.510 0.041 0.000 1.038 191 N CA 0.384 53.429 53.050 -0.009 0.000 0.749 191 N CB -1.530 36.950 38.487 -0.013 0.000 0.892 191 N HN 0.545 8.925 8.380 0.000 0.000 0.546 192 I N 0.539 121.139 120.570 0.049 0.000 2.315 192 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 192 I C 1.862 177.962 176.117 -0.029 0.000 1.117 192 I CA 0.804 62.141 61.300 0.061 0.000 1.404 192 I CB 0.011 38.073 38.000 0.104 0.000 1.071 192 I HN 0.481 8.691 8.210 0.000 0.000 0.419 193 L N 0.163 121.311 121.223 -0.126 0.000 2.263 193 L HA -0.211 4.128 4.340 -0.001 0.000 0.216 193 L C 1.718 178.637 176.870 0.082 0.000 1.111 193 L CA 0.885 55.659 54.840 -0.111 0.000 0.773 193 L CB -0.430 41.588 42.059 -0.069 0.000 0.906 193 L HN 0.356 8.586 8.230 0.000 0.000 0.439 194 M N -1.288 118.387 119.600 0.125 0.000 2.626 194 M HA 0.148 4.627 4.480 -0.001 0.000 0.262 194 M C -0.044 176.408 176.300 0.253 0.000 1.256 194 M CA 0.346 55.777 55.300 0.218 0.000 0.981 194 M CB -0.741 31.976 32.600 0.194 0.000 1.492 194 M HN 0.062 8.352 8.290 0.000 0.000 0.474 195 H N 0.354 119.499 119.070 0.125 0.000 2.489 195 H HA 0.304 4.859 4.556 -0.001 0.000 0.343 195 H C -2.150 173.268 175.328 0.151 0.000 1.086 195 H CA -1.584 54.489 56.048 0.041 0.000 1.198 195 H CB 2.355 32.119 29.762 0.003 0.000 1.490 195 H HN -0.099 8.181 8.280 0.000 0.000 0.504 196 P HA -0.196 4.224 4.420 0.000 0.000 0.216 196 P C 1.374 178.957 177.300 0.470 0.000 1.157 196 P CA 1.221 64.479 63.100 0.263 0.000 0.880 196 P CB 0.056 31.821 31.700 0.108 0.000 0.791 197 F N -1.699 118.488 119.950 0.395 0.000 2.134 197 F HA -0.192 4.335 4.527 -0.001 0.000 0.299 197 F C 2.574 178.468 175.800 0.158 0.000 1.097 197 F CA 0.951 59.096 58.000 0.241 0.000 1.264 197 F CB -1.774 37.378 39.000 0.254 0.000 1.001 197 F HN 0.169 8.469 8.300 0.000 0.000 0.479 198 H N 0.553 119.801 119.070 0.296 0.000 2.357 198 H HA -0.123 4.433 4.556 -0.001 0.000 0.301 198 H C 1.916 177.298 175.328 0.090 0.000 1.082 198 H CA 1.879 58.004 56.048 0.128 0.000 1.342 198 H CB -0.004 29.814 29.762 0.094 0.000 1.389 198 H HN 0.328 8.608 8.280 0.000 0.000 0.511 199 Q N 0.264 120.209 119.800 0.241 0.000 2.096 199 Q HA -0.115 4.224 4.340 -0.001 0.000 0.204 199 Q C 2.808 178.828 176.000 0.033 0.000 0.982 199 Q CA 1.445 57.337 55.803 0.149 0.000 0.850 199 Q CB 0.031 28.883 28.738 0.189 0.000 0.901 199 Q HN 0.426 8.696 8.270 0.000 0.000 0.422 200 L N -0.111 121.127 121.223 0.024 0.000 2.131 200 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 200 L C 2.346 179.162 176.870 -0.091 0.000 1.092 200 L CA 1.005 55.806 54.840 -0.065 0.000 0.759 200 L CB -0.771 41.189 42.059 -0.164 0.000 0.903 200 L HN 0.377 8.607 8.230 0.000 0.000 0.435 201 G N -0.326 108.407 108.800 -0.113 0.000 2.433 201 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.216 201 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.216 201 G C 1.663 176.413 174.900 -0.250 0.000 1.186 201 G CA 1.047 46.028 45.100 -0.199 0.000 0.779 201 G HN 0.299 8.589 8.290 0.000 0.000 0.543 202 V N 0.765 120.483 119.914 -0.325 0.000 2.626 202 V HA 0.162 4.281 4.120 -0.001 0.000 0.252 202 V C 2.874 178.853 176.094 -0.192 0.000 1.067 202 V CA 2.097 64.160 62.300 -0.394 0.000 1.081 202 V CB -0.497 31.044 31.823 -0.469 0.000 0.686 202 V HN 0.430 8.620 8.190 0.000 0.000 0.468 203 A N 0.747 123.559 122.820 -0.013 0.000 1.873 203 A HA 0.042 4.362 4.320 -0.001 0.000 0.215 203 A C 2.414 180.188 177.584 0.317 0.000 1.186 203 A CA 1.828 53.985 52.037 0.201 0.000 0.616 203 A CB -1.555 17.546 19.000 0.168 0.000 0.823 203 A HN 0.710 8.860 8.150 0.000 0.000 0.442 204 G N -0.696 108.139 108.800 0.060 0.000 2.418 204 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.217 204 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.217 204 G C 1.513 176.516 174.900 0.172 0.000 1.158 204 G CA 1.310 46.436 45.100 0.043 0.000 0.771 204 G HN 0.315 8.605 8.290 0.000 0.000 0.545 205 V N 0.074 120.007 119.914 0.033 0.000 2.283 205 V HA -0.021 4.098 4.120 -0.001 0.000 0.243 205 V C 2.420 178.594 176.094 0.132 0.000 1.039 205 V CA 1.312 63.622 62.300 0.016 0.000 1.016 205 V CB -0.643 31.112 31.823 -0.113 0.000 0.650 205 V HN 0.409 8.599 8.190 0.000 0.000 0.449 206 F N 0.889 120.845 119.950 0.010 0.000 2.046 206 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 206 F C 2.536 178.267 175.800 -0.116 0.000 1.123 206 F CA 1.166 59.145 58.000 -0.036 0.000 1.199 206 F CB -0.810 38.179 39.000 -0.018 0.000 0.972 206 F HN 0.296 8.596 8.300 0.000 0.000 0.474 207 G N -0.031 108.860 108.800 0.150 0.000 2.529 207 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 207 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 207 G C 1.779 176.392 174.900 -0.477 0.000 1.177 207 G CA 1.028 45.916 45.100 -0.354 0.000 0.773 207 G HN 0.516 8.806 8.290 0.000 0.000 0.573 208 G N 1.281 110.112 108.800 0.051 0.000 2.628 208 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.217 208 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.217 208 G C 2.141 177.042 174.900 0.002 0.000 1.240 208 G CA 2.174 47.338 45.100 0.108 0.000 0.792 208 G HN 0.839 9.129 8.290 0.000 0.000 0.593 209 A N 0.336 123.159 122.820 0.005 0.000 1.927 209 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 209 A C 2.412 179.953 177.584 -0.073 0.000 1.185 209 A CA 1.814 53.846 52.037 -0.008 0.000 0.639 209 A CB -0.529 18.490 19.000 0.031 0.000 0.820 209 A HN 0.457 8.607 8.150 0.000 0.000 0.451 210 L N -1.562 119.545 121.223 -0.193 0.000 1.943 210 L HA -0.189 4.150 4.340 -0.001 0.000 0.215 210 L C 2.504 179.268 176.870 -0.178 0.000 1.074 210 L CA 2.267 56.936 54.840 -0.284 0.000 0.759 210 L CB -0.488 41.234 42.059 -0.560 0.000 0.888 210 L HN 0.401 8.631 8.230 0.000 0.000 0.433 211 F N -0.183 119.703 119.950 -0.107 0.000 2.120 211 F HA -0.295 4.232 4.527 -0.001 0.000 0.300 211 F C 2.959 178.726 175.800 -0.056 0.000 1.095 211 F CA 1.295 59.236 58.000 -0.098 0.000 1.249 211 F CB -1.800 37.112 39.000 -0.147 0.000 0.995 211 F HN 0.358 8.658 8.300 0.000 0.000 0.480 212 C N 0.359 119.731 119.300 0.121 0.000 2.403 212 C HA -0.161 4.298 4.460 -0.001 0.000 0.277 212 C C 3.035 178.053 174.990 0.047 0.000 1.248 212 C CA 1.313 60.368 59.018 0.062 0.000 1.762 212 C CB -1.512 26.245 27.740 0.029 0.000 2.014 212 C HN 0.467 8.697 8.230 0.000 0.000 0.486 213 A N -0.351 122.480 122.820 0.019 0.000 1.898 213 A HA 0.015 4.334 4.320 -0.001 0.000 0.214 213 A C 2.237 179.816 177.584 -0.009 0.000 1.183 213 A CA 1.588 53.621 52.037 -0.006 0.000 0.622 213 A CB -0.557 18.426 19.000 -0.028 0.000 0.824 213 A HN 0.548 8.698 8.150 0.000 0.000 0.444 214 M N -0.949 118.656 119.600 0.009 0.000 2.126 214 M HA -0.167 4.312 4.480 -0.001 0.000 0.259 214 M C 2.113 178.371 176.300 -0.070 0.000 1.073 214 M CA 2.359 57.636 55.300 -0.039 0.000 1.103 214 M CB -1.620 30.966 32.600 -0.024 0.000 1.284 214 M HN 0.702 8.992 8.290 0.000 0.000 0.420 215 H N -0.305 118.710 119.070 -0.091 0.000 2.287 215 H HA -0.163 4.393 4.556 -0.001 0.000 0.292 215 H C 1.901 177.152 175.328 -0.127 0.000 1.068 215 H CA 3.025 58.999 56.048 -0.123 0.000 1.192 215 H CB -0.935 28.749 29.762 -0.130 0.000 1.360 215 H HN 0.469 8.749 8.280 0.000 0.000 0.516 216 G N -0.881 107.929 108.800 0.018 0.000 2.740 216 G HA2 -0.444 3.515 3.960 -0.001 0.000 0.224 216 G HA3 -0.444 3.515 3.960 -0.001 0.000 0.224 216 G C 1.980 176.800 174.900 -0.134 0.000 1.156 216 G CA 2.613 47.684 45.100 -0.048 0.000 0.766 216 G HN 0.656 8.946 8.290 0.000 0.000 0.623 217 S N 0.350 115.980 115.700 -0.117 0.000 2.335 217 S HA -0.002 4.467 4.470 -0.001 0.000 0.217 217 S C 2.284 176.785 174.600 -0.164 0.000 1.032 217 S CA 1.335 59.464 58.200 -0.119 0.000 0.985 217 S CB -0.537 62.617 63.200 -0.078 0.000 0.896 217 S HN 0.101 8.411 8.310 0.000 0.000 0.445 218 L N 1.885 123.002 121.223 -0.177 0.000 1.991 218 L HA -0.135 4.205 4.340 -0.001 0.000 0.221 218 L C 2.828 179.565 176.870 -0.223 0.000 1.079 218 L CA 1.535 56.277 54.840 -0.163 0.000 0.778 218 L CB -1.383 40.569 42.059 -0.178 0.000 0.893 218 L HN 0.264 8.494 8.230 0.000 0.000 0.437 219 V N -1.330 118.329 119.914 -0.425 0.000 2.220 219 V HA -0.370 3.750 4.120 -0.001 0.000 0.246 219 V C 2.574 178.463 176.094 -0.342 0.000 1.049 219 V CA 2.398 64.329 62.300 -0.614 0.000 1.003 219 V CB -0.837 30.441 31.823 -0.908 0.000 0.634 219 V HN 0.627 8.817 8.190 0.000 0.000 0.444 220 T N -0.009 114.392 114.554 -0.254 0.000 2.778 220 T HA -0.195 4.154 4.350 -0.001 0.000 0.269 220 T C 1.948 176.591 174.700 -0.095 0.000 1.050 220 T CA 2.212 64.227 62.100 -0.142 0.000 1.137 220 T CB -0.319 68.482 68.868 -0.111 0.000 0.860 220 T HN 0.745 8.985 8.240 0.000 0.000 0.468 221 S N 0.412 116.043 115.700 -0.115 0.000 2.470 221 S HA 0.039 4.508 4.470 -0.001 0.000 0.225 221 S C 1.589 176.152 174.600 -0.063 0.000 1.006 221 S CA 0.688 58.827 58.200 -0.102 0.000 0.934 221 S CB -0.184 62.918 63.200 -0.163 0.000 0.778 221 S HN 0.556 8.866 8.310 0.000 0.000 0.517 222 S N 1.403 117.090 115.700 -0.021 0.000 2.449 222 S HA 0.514 4.983 4.470 -0.001 0.000 0.237 222 S C -0.150 174.534 174.600 0.140 0.000 1.214 222 S CA -0.880 57.360 58.200 0.066 0.000 1.226 222 S CB -0.568 62.713 63.200 0.134 0.000 0.904 222 S HN 0.410 8.720 8.310 0.000 0.000 0.490 223 L N 1.619 122.897 121.223 0.092 0.000 2.312 223 L HA 0.528 4.868 4.340 -0.001 0.000 0.281 223 L C 0.215 177.143 176.870 0.097 0.000 1.070 223 L CA -1.014 53.901 54.840 0.126 0.000 0.805 223 L CB 1.094 43.205 42.059 0.087 0.000 1.174 223 L HN 0.328 8.558 8.230 0.000 0.000 0.434 224 I N 3.093 123.726 120.570 0.106 0.000 2.598 224 I HA 0.076 4.245 4.170 -0.001 0.000 0.284 224 I C 0.872 177.030 176.117 0.068 0.000 1.140 224 I CA -0.036 61.308 61.300 0.074 0.000 1.420 224 I CB 0.212 38.252 38.000 0.066 0.000 1.387 224 I HN 0.619 8.829 8.210 0.000 0.000 0.553 225 R N 5.809 126.340 120.500 0.051 0.000 2.449 225 R HA 0.066 4.405 4.340 -0.001 0.000 0.296 225 R C -0.234 176.094 176.300 0.047 0.000 1.047 225 R CA 0.387 56.515 56.100 0.047 0.000 1.018 225 R CB 0.467 30.788 30.300 0.034 0.000 0.962 225 R HN 0.711 8.981 8.270 0.000 0.000 0.428 226 E N 1.181 121.414 120.200 0.055 0.000 2.713 226 E HA 0.041 4.390 4.350 -0.001 0.000 0.199 226 E C -1.031 175.603 176.600 0.056 0.000 0.940 226 E CA 0.001 56.432 56.400 0.052 0.000 1.310 226 E CB 1.339 31.075 29.700 0.059 0.000 1.129 226 E HN 0.823 9.183 8.360 0.000 0.000 0.557 227 T N -2.257 112.331 114.554 0.057 0.000 2.932 227 T HA 0.569 4.918 4.350 -0.001 0.000 0.289 227 T C 0.562 175.282 174.700 0.034 0.000 1.039 227 T CA -0.681 61.453 62.100 0.057 0.000 1.024 227 T CB 1.818 70.736 68.868 0.084 0.000 1.090 227 T HN -0.167 8.073 8.240 0.000 0.000 0.496 228 T N 1.338 115.903 114.554 0.019 0.000 2.726 228 T HA 0.164 4.513 4.350 -0.001 0.000 0.294 228 T C 1.229 175.935 174.700 0.011 0.000 1.013 228 T CA -0.364 61.740 62.100 0.007 0.000 0.996 228 T CB 0.527 69.389 68.868 -0.011 0.000 1.016 228 T HN 0.877 9.117 8.240 0.000 0.000 0.529 229 E N 0.664 120.867 120.200 0.005 0.000 2.208 229 E HA -0.069 4.281 4.350 -0.001 0.000 0.193 229 E C 1.276 177.879 176.600 0.005 0.000 0.988 229 E CA 0.876 57.280 56.400 0.007 0.000 0.828 229 E CB -0.148 29.555 29.700 0.003 0.000 0.763 229 E HN 0.747 9.107 8.360 0.000 0.000 0.478 230 T N -1.385 113.168 114.554 -0.001 0.000 3.393 230 T HA 0.348 4.697 4.350 -0.001 0.000 0.255 230 T C -0.227 174.464 174.700 -0.014 0.000 1.008 230 T CA -0.681 61.416 62.100 -0.005 0.000 1.053 230 T CB -0.046 68.816 68.868 -0.010 0.000 1.120 230 T HN 0.119 8.358 8.240 0.000 0.000 0.538 231 E N 1.016 121.214 120.200 -0.003 0.000 2.290 231 E HA 0.419 4.768 4.350 -0.001 0.000 0.274 231 E C -0.701 175.932 176.600 0.055 0.000 0.889 231 E CA -0.618 55.772 56.400 -0.016 0.000 0.760 231 E CB 2.078 31.753 29.700 -0.042 0.000 1.206 231 E HN 0.161 8.521 8.360 0.000 0.000 0.419 232 S N 3.071 118.841 115.700 0.117 0.000 2.673 232 S HA -0.003 4.466 4.470 -0.001 0.000 0.308 232 S C 1.156 175.890 174.600 0.223 0.000 1.246 232 S CA 0.590 58.920 58.200 0.217 0.000 1.077 232 S CB 0.477 63.921 63.200 0.408 0.000 0.814 232 S HN 0.631 8.941 8.310 0.000 0.000 0.503 233 A N 4.984 127.881 122.820 0.130 0.000 2.186 233 A HA -0.111 4.209 4.320 -0.001 0.000 0.219 233 A C 1.977 179.632 177.584 0.117 0.000 1.159 233 A CA 1.644 53.745 52.037 0.107 0.000 0.680 233 A CB -0.747 18.291 19.000 0.063 0.000 0.787 233 A HN 0.984 9.134 8.150 0.000 0.000 0.467 234 N N -1.767 117.001 118.700 0.113 0.000 2.216 234 N HA -0.121 4.618 4.740 -0.001 0.000 0.183 234 N C 1.188 176.723 175.510 0.041 0.000 1.017 234 N CA 0.990 54.062 53.050 0.036 0.000 0.861 234 N CB -0.230 38.217 38.487 -0.066 0.000 0.986 234 N HN 0.588 8.968 8.380 0.000 0.000 0.428 235 Y N 0.908 121.254 120.300 0.076 0.000 2.365 235 Y HA -0.107 4.443 4.550 -0.001 0.000 0.287 235 Y C 2.278 178.233 175.900 0.092 0.000 1.162 235 Y CA 0.843 58.990 58.100 0.079 0.000 1.260 235 Y CB -0.562 37.928 38.460 0.049 0.000 0.976 235 Y HN 0.083 8.363 8.280 0.000 0.000 0.548 236 G N -1.823 107.107 108.800 0.216 0.000 3.135 236 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.208 236 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.208 236 G C -0.611 174.405 174.900 0.194 0.000 1.212 236 G CA 0.273 45.474 45.100 0.169 0.000 0.928 236 G HN 0.383 8.673 8.290 0.000 0.000 0.500 237 Y N -0.171 120.166 120.300 0.063 0.000 2.433 237 Y HA 0.545 5.094 4.550 -0.001 0.000 0.337 237 Y C -1.089 174.846 175.900 0.059 0.000 1.026 237 Y CA -1.359 56.775 58.100 0.056 0.000 1.037 237 Y CB 1.605 40.095 38.460 0.050 0.000 1.245 237 Y HN -0.219 8.061 8.280 0.000 0.000 0.443 238 K N 6.031 126.032 120.400 -0.665 0.000 2.292 238 K HA 0.257 4.576 4.320 -0.001 0.000 0.257 238 K C -1.266 175.077 176.600 -0.429 0.000 0.940 238 K CA -0.840 55.244 56.287 -0.339 0.000 0.811 238 K CB 1.558 33.941 32.500 -0.195 0.000 1.120 238 K HN 0.685 8.935 8.250 0.000 0.000 0.428 239 F N 1.962 121.825 119.950 -0.146 0.000 2.571 239 F HA 0.229 4.755 4.527 -0.002 0.000 0.390 239 F C 1.090 176.855 175.800 -0.059 0.000 1.043 239 F CA 0.889 58.897 58.000 0.014 0.000 1.164 239 F CB -0.059 38.981 39.000 0.067 0.000 1.049 239 F HN 0.816 9.116 8.300 0.000 0.000 0.552 240 G N 4.842 113.355 108.800 -0.478 0.000 2.526 240 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.225 240 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.225 240 G C -0.322 174.421 174.900 -0.261 0.000 1.120 240 G CA -0.404 44.429 45.100 -0.445 0.000 0.904 240 G HN 0.747 9.037 8.290 0.000 0.000 0.498 241 Q N -1.120 118.540 119.800 -0.233 0.000 2.221 241 Q HA 0.549 4.889 4.340 -0.001 0.000 0.242 241 Q C 0.999 176.937 176.000 -0.103 0.000 0.940 241 Q CA -0.541 55.147 55.803 -0.193 0.000 0.896 241 Q CB 1.094 29.683 28.738 -0.248 0.000 1.226 241 Q HN 0.337 8.607 8.270 0.000 0.000 0.463 242 E N 0.623 120.776 120.200 -0.080 0.000 2.057 242 E HA -0.072 4.277 4.350 -0.001 0.000 0.191 242 E C -0.363 176.219 176.600 -0.030 0.000 0.959 242 E CA 0.763 57.131 56.400 -0.054 0.000 0.828 242 E CB 0.235 29.904 29.700 -0.052 0.000 0.800 242 E HN 0.503 8.863 8.360 0.000 0.000 0.460 243 E N 0.751 120.936 120.200 -0.025 0.000 2.351 243 E HA 0.286 4.635 4.350 -0.001 0.000 0.255 243 E C -0.053 176.559 176.600 0.020 0.000 1.188 243 E CA -0.678 55.715 56.400 -0.011 0.000 0.940 243 E CB 0.201 29.892 29.700 -0.016 0.000 1.094 243 E HN -0.156 8.204 8.360 0.000 0.000 0.474 244 E N -0.613 119.592 120.200 0.008 0.000 2.392 244 E HA 0.096 4.445 4.350 -0.001 0.000 0.256 244 E C 0.124 176.778 176.600 0.089 0.000 1.145 244 E CA 0.198 56.617 56.400 0.032 0.000 0.929 244 E CB 0.894 30.530 29.700 -0.107 0.000 0.998 244 E HN 0.491 8.851 8.360 0.000 0.000 0.442 245 T N 2.099 116.776 114.554 0.204 0.000 3.054 245 T HA 0.198 4.547 4.350 -0.001 0.000 0.255 245 T C -1.019 173.845 174.700 0.274 0.000 1.035 245 T CA 0.033 62.292 62.100 0.266 0.000 0.941 245 T CB -0.340 68.778 68.868 0.418 0.000 1.026 245 T HN 0.405 8.645 8.240 0.000 0.000 0.533 246 Y N -1.107 119.237 120.300 0.073 0.000 2.597 246 Y HA 0.633 5.182 4.550 -0.001 0.000 0.340 246 Y C -0.756 175.174 175.900 0.049 0.000 1.097 246 Y CA -1.628 56.502 58.100 0.049 0.000 1.037 246 Y CB 0.635 39.113 38.460 0.030 0.000 1.305 246 Y HN -0.329 7.951 8.280 0.000 0.000 0.463 247 N N 3.434 122.166 118.700 0.054 0.000 2.807 247 N HA 0.091 4.830 4.740 -0.001 0.000 0.259 247 N C 0.657 176.176 175.510 0.016 0.000 1.149 247 N CA 0.086 53.122 53.050 -0.023 0.000 1.042 247 N CB 0.370 38.885 38.487 0.047 0.000 1.367 247 N HN 1.018 9.398 8.380 0.000 0.000 0.516 248 I N 2.522 122.962 120.570 -0.217 0.000 2.800 248 I HA -0.204 3.965 4.170 -0.001 0.000 0.266 248 I C 0.835 177.031 176.117 0.130 0.000 1.249 248 I CA 0.876 62.183 61.300 0.012 0.000 1.458 248 I CB 0.481 38.398 38.000 -0.139 0.000 1.093 248 I HN 0.176 8.386 8.210 0.000 0.000 0.466 249 V N 0.500 120.465 119.914 0.085 0.000 2.992 249 V HA 0.064 4.183 4.120 -0.001 0.000 0.250 249 V C 2.466 178.647 176.094 0.145 0.000 1.090 249 V CA 1.188 63.566 62.300 0.129 0.000 1.101 249 V CB -0.356 31.511 31.823 0.072 0.000 0.743 249 V HN 0.495 8.685 8.190 0.000 0.000 0.468 250 A N 0.271 123.166 122.820 0.125 0.000 1.935 250 A HA 0.194 4.513 4.320 -0.001 0.000 0.214 250 A C 2.368 180.057 177.584 0.174 0.000 1.178 250 A CA 1.440 53.549 52.037 0.121 0.000 0.640 250 A CB -0.496 18.561 19.000 0.095 0.000 0.825 250 A HN 0.473 8.623 8.150 0.000 0.000 0.447 251 A N -0.254 122.696 122.820 0.218 0.000 1.845 251 A HA -0.214 4.105 4.320 -0.001 0.000 0.215 251 A C 2.063 179.843 177.584 0.326 0.000 1.195 251 A CA 2.168 54.363 52.037 0.263 0.000 0.616 251 A CB -1.080 18.095 19.000 0.290 0.000 0.832 251 A HN 0.725 8.875 8.150 0.000 0.000 0.443 252 H N -0.107 119.092 119.070 0.214 0.000 2.422 252 H HA -0.042 4.513 4.556 -0.001 0.000 0.298 252 H C 2.048 177.463 175.328 0.144 0.000 1.098 252 H CA 1.739 57.907 56.048 0.200 0.000 1.315 252 H CB -0.707 29.145 29.762 0.150 0.000 1.382 252 H HN 0.337 8.617 8.280 0.000 0.000 0.523 253 G N -0.734 108.052 108.800 -0.025 0.000 2.418 253 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.217 253 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.217 253 G C 1.718 176.591 174.900 -0.045 0.000 1.158 253 G CA 0.970 46.005 45.100 -0.109 0.000 0.771 253 G HN 0.586 8.876 8.290 0.000 0.000 0.545 254 Y N 0.346 120.638 120.300 -0.014 0.000 2.130 254 Y HA 0.045 4.594 4.550 -0.001 0.000 0.287 254 Y C 2.281 178.206 175.900 0.042 0.000 1.124 254 Y CA 1.363 59.475 58.100 0.019 0.000 1.118 254 Y CB -0.620 37.875 38.460 0.058 0.000 0.994 254 Y HN 0.126 8.406 8.280 0.000 0.000 0.497 255 F N 1.200 121.006 119.950 -0.240 0.000 2.202 255 F HA -0.018 4.508 4.527 -0.001 0.000 0.301 255 F C 2.276 177.894 175.800 -0.304 0.000 1.082 255 F CA 1.565 59.373 58.000 -0.320 0.000 1.313 255 F CB -0.874 38.106 39.000 -0.033 0.000 1.024 255 F HN 0.142 8.442 8.300 0.000 0.000 0.495 256 G N -0.257 108.309 108.800 -0.390 0.000 2.443 256 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.219 256 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.219 256 G C 1.838 176.504 174.900 -0.391 0.000 1.131 256 G CA 0.353 45.169 45.100 -0.474 0.000 0.775 256 G HN 0.335 8.625 8.290 0.000 0.000 0.547 257 R N -0.961 119.327 120.500 -0.353 0.000 2.210 257 R HA 0.223 4.562 4.340 -0.001 0.000 0.203 257 R C 2.206 178.332 176.300 -0.289 0.000 1.010 257 R CA -0.054 55.892 56.100 -0.257 0.000 1.008 257 R CB -0.213 29.976 30.300 -0.185 0.000 0.923 257 R HN 0.291 8.561 8.270 0.000 0.000 0.469 258 L N 0.829 121.783 121.223 -0.449 0.000 2.005 258 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 258 L C 1.668 178.360 176.870 -0.297 0.000 1.072 258 L CA 1.856 56.462 54.840 -0.389 0.000 0.744 258 L CB -0.090 41.695 42.059 -0.457 0.000 0.895 258 L HN 0.034 8.264 8.230 0.000 0.000 0.433 259 I N -2.002 118.307 120.570 -0.434 0.000 4.056 259 I HA 0.184 4.353 4.170 -0.001 0.000 0.232 259 I C -0.084 175.954 176.117 -0.132 0.000 1.031 259 I CA 0.634 61.729 61.300 -0.341 0.000 1.571 259 I CB -0.801 36.835 38.000 -0.607 0.000 1.470 259 I HN 0.197 8.407 8.210 0.000 0.000 0.463 260 F N -0.679 119.084 119.950 -0.313 0.000 2.689 260 F HA 0.308 4.835 4.527 -0.001 0.000 0.314 260 F C 0.593 176.254 175.800 -0.233 0.000 1.068 260 F CA -1.043 56.831 58.000 -0.211 0.000 1.023 260 F CB 0.357 39.298 39.000 -0.099 0.000 1.264 260 F HN 0.179 8.479 8.300 0.000 0.000 0.474 261 Q N 1.498 121.315 119.800 0.028 0.000 2.066 261 Q HA -0.279 4.060 4.340 -0.001 0.000 0.216 261 Q C 1.095 177.001 176.000 -0.157 0.000 1.035 261 Q CA 3.441 59.140 55.803 -0.174 0.000 0.897 261 Q CB -0.392 28.122 28.738 -0.374 0.000 1.010 261 Q HN 0.854 9.124 8.270 0.000 0.000 0.416 262 Y N -1.172 119.288 120.300 0.267 0.000 2.639 262 Y HA 0.007 4.557 4.550 -0.001 0.000 0.297 262 Y C 1.564 177.451 175.900 -0.022 0.000 1.151 262 Y CA 0.536 58.749 58.100 0.189 0.000 1.335 262 Y CB -0.003 38.621 38.460 0.274 0.000 0.994 262 Y HN 0.195 8.475 8.280 0.000 0.000 0.548 263 A N -0.819 121.815 122.820 -0.310 0.000 2.577 263 A HA 0.394 4.713 4.320 -0.001 0.000 0.280 263 A C 0.538 177.800 177.584 -0.537 0.000 1.331 263 A CA 0.087 51.734 52.037 -0.649 0.000 0.935 263 A CB -0.095 18.027 19.000 -1.463 0.000 1.082 263 A HN 0.108 8.258 8.150 0.000 0.000 0.525 264 S N -0.960 114.572 115.700 -0.280 0.000 2.540 264 S HA 0.698 5.167 4.470 -0.001 0.000 0.275 264 S C -0.883 173.769 174.600 0.086 0.000 1.123 264 S CA -0.523 57.654 58.200 -0.038 0.000 0.907 264 S CB 0.680 63.912 63.200 0.053 0.000 1.081 264 S HN 0.255 8.565 8.310 0.000 0.000 0.476 265 F N 3.155 123.199 119.950 0.157 0.000 2.399 265 F HA 0.267 4.793 4.527 -0.001 0.000 0.342 265 F C 1.518 177.223 175.800 -0.158 0.000 1.106 265 F CA -0.173 57.822 58.000 -0.009 0.000 1.196 265 F CB 1.086 40.099 39.000 0.021 0.000 1.163 265 F HN 0.875 9.175 8.300 0.000 0.000 0.547 266 N N -0.436 118.238 118.700 -0.043 0.000 2.129 266 N HA -0.011 4.729 4.740 -0.001 0.000 0.222 266 N C -0.562 174.919 175.510 -0.048 0.000 1.303 266 N CA -0.259 52.651 53.050 -0.233 0.000 0.897 266 N CB 0.156 38.342 38.487 -0.501 0.000 1.093 266 N HN 0.273 8.653 8.380 0.000 0.000 0.501 267 N N 0.981 119.665 118.700 -0.026 0.000 2.527 267 N HA 0.115 4.854 4.740 -0.001 0.000 0.236 267 N C 0.320 175.805 175.510 -0.042 0.000 0.999 267 N CA 0.043 53.068 53.050 -0.043 0.000 0.935 267 N CB 1.433 39.878 38.487 -0.069 0.000 1.132 267 N HN 0.184 8.564 8.380 0.000 0.000 0.511 268 S N 3.707 119.429 115.700 0.035 0.000 2.402 268 S HA -0.124 4.345 4.470 -0.001 0.000 0.233 268 S C 1.669 176.317 174.600 0.080 0.000 1.030 268 S CA 1.346 59.619 58.200 0.122 0.000 1.003 268 S CB 0.113 63.361 63.200 0.080 0.000 0.813 268 S HN 0.637 8.947 8.310 0.000 0.000 0.477 269 R N 0.207 120.699 120.500 -0.013 0.000 2.073 269 R HA 0.061 4.400 4.340 -0.001 0.000 0.229 269 R C 2.608 178.913 176.300 0.009 0.000 1.120 269 R CA 1.549 57.647 56.100 -0.004 0.000 0.967 269 R CB -0.543 29.745 30.300 -0.020 0.000 0.862 269 R HN 0.348 8.618 8.270 0.000 0.000 0.436 270 S N 1.368 116.992 115.700 -0.127 0.000 2.428 270 S HA -0.027 4.442 4.470 -0.001 0.000 0.230 270 S C 1.829 176.070 174.600 -0.599 0.000 1.014 270 S CA 0.517 58.558 58.200 -0.266 0.000 0.957 270 S CB -0.072 62.895 63.200 -0.388 0.000 0.784 270 S HN 0.256 8.566 8.310 0.000 0.000 0.499 271 L N 0.883 121.733 121.223 -0.622 0.000 1.988 271 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 271 L C 2.159 179.007 176.870 -0.035 0.000 1.071 271 L CA 1.845 56.412 54.840 -0.454 0.000 0.744 271 L CB -0.477 41.613 42.059 0.052 0.000 0.893 271 L HN 0.303 8.533 8.230 0.000 0.000 0.433 272 H N -1.391 117.654 119.070 -0.043 0.000 2.456 272 H HA -0.204 4.352 4.556 -0.001 0.000 0.296 272 H C 1.554 176.915 175.328 0.055 0.000 1.079 272 H CA 1.809 57.849 56.048 -0.013 0.000 1.322 272 H CB -0.276 29.482 29.762 -0.006 0.000 1.388 272 H HN 0.418 8.698 8.280 0.000 0.000 0.538 273 F N 0.098 120.093 119.950 0.075 0.000 2.128 273 F HA -0.134 4.392 4.527 -0.001 0.000 0.295 273 F C 2.137 177.998 175.800 0.102 0.000 1.100 273 F CA 0.754 58.794 58.000 0.067 0.000 1.260 273 F CB -0.846 38.181 39.000 0.044 0.000 1.009 273 F HN 0.120 8.420 8.300 0.000 0.000 0.476 274 F N 0.691 120.481 119.950 -0.265 0.000 2.095 274 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 274 F C 2.013 177.681 175.800 -0.220 0.000 1.104 274 F CA 1.649 59.493 58.000 -0.259 0.000 1.232 274 F CB -0.916 38.113 39.000 0.050 0.000 0.987 274 F HN 0.038 8.338 8.300 0.000 0.000 0.475 275 L N 0.121 121.255 121.223 -0.147 0.000 2.129 275 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 275 L C 2.438 179.185 176.870 -0.205 0.000 1.087 275 L CA 2.042 56.746 54.840 -0.228 0.000 0.757 275 L CB -1.269 40.644 42.059 -0.243 0.000 0.896 275 L HN 0.295 8.525 8.230 0.000 0.000 0.434 276 A N -1.877 120.825 122.820 -0.196 0.000 1.901 276 A HA 0.200 4.519 4.320 -0.001 0.000 0.210 276 A C 2.399 179.835 177.584 -0.248 0.000 1.208 276 A CA 0.875 52.816 52.037 -0.160 0.000 0.644 276 A CB -0.844 18.118 19.000 -0.063 0.000 0.863 276 A HN 0.350 8.500 8.150 0.000 0.000 0.454 277 A N -0.528 122.043 122.820 -0.414 0.000 1.873 277 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 277 A C 2.091 179.502 177.584 -0.289 0.000 1.193 277 A CA 1.565 53.333 52.037 -0.449 0.000 0.629 277 A CB -1.128 17.368 19.000 -0.840 0.000 0.826 277 A HN 0.810 8.960 8.150 0.000 0.000 0.447 278 W N 1.624 122.623 121.300 -0.501 0.000 2.289 278 W HA -0.189 4.471 4.660 -0.001 0.000 0.328 278 W C -0.726 175.673 176.519 -0.199 0.000 1.241 278 W CA 3.021 60.152 57.345 -0.356 0.000 1.221 278 W CB -1.482 27.686 29.460 -0.487 0.000 1.175 278 W HN 0.322 8.502 8.180 0.000 0.000 0.457 279 P HA -0.194 4.226 4.420 0.000 0.000 0.214 279 P C 1.904 179.065 177.300 -0.233 0.000 1.163 279 P CA 2.242 65.319 63.100 -0.038 0.000 0.883 279 P CB -0.449 31.265 31.700 0.023 0.000 0.788 280 V N 0.377 120.098 119.914 -0.322 0.000 2.282 280 V HA -0.215 3.905 4.120 -0.001 0.000 0.249 280 V C 2.921 178.618 176.094 -0.662 0.000 1.057 280 V CA 1.937 63.879 62.300 -0.597 0.000 1.032 280 V CB -1.228 30.159 31.823 -0.726 0.000 0.645 280 V HN -0.057 8.133 8.190 0.000 0.000 0.447 281 V N 0.688 120.372 119.914 -0.384 0.000 2.343 281 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 281 V C 2.602 178.647 176.094 -0.082 0.000 1.051 281 V CA 2.149 64.389 62.300 -0.100 0.000 1.036 281 V CB -1.357 30.433 31.823 -0.056 0.000 0.654 281 V HN 0.616 8.806 8.190 0.000 0.000 0.451 282 G N -0.349 108.322 108.800 -0.215 0.000 2.421 282 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 282 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 282 G C 1.662 176.514 174.900 -0.081 0.000 1.171 282 G CA 1.159 46.167 45.100 -0.152 0.000 0.775 282 G HN 0.379 8.669 8.290 0.000 0.000 0.543 283 V N -0.499 119.323 119.914 -0.153 0.000 2.515 283 V HA -0.099 4.020 4.120 -0.001 0.000 0.250 283 V C 2.492 178.552 176.094 -0.056 0.000 1.058 283 V CA 1.058 63.279 62.300 -0.132 0.000 1.064 283 V CB -0.459 31.252 31.823 -0.186 0.000 0.675 283 V HN 0.468 8.658 8.190 0.000 0.000 0.461 284 W N -0.226 120.939 121.300 -0.226 0.000 2.338 284 W HA -0.129 4.531 4.660 -0.001 0.000 0.304 284 W C 2.370 178.660 176.519 -0.383 0.000 1.212 284 W CA 1.112 58.265 57.345 -0.319 0.000 1.264 284 W CB -1.109 28.088 29.460 -0.437 0.000 1.142 284 W HN 0.300 8.480 8.180 0.000 0.000 0.512 285 F N -0.201 119.695 119.950 -0.090 0.000 2.186 285 F HA -0.179 4.347 4.527 -0.001 0.000 0.299 285 F C 2.657 178.316 175.800 -0.234 0.000 1.090 285 F CA 1.888 59.653 58.000 -0.391 0.000 1.307 285 F CB -1.407 37.301 39.000 -0.486 0.000 1.019 285 F HN -0.279 8.021 8.300 0.000 0.000 0.489 286 T N -0.594 113.992 114.554 0.052 0.000 2.746 286 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 286 T C 2.202 176.926 174.700 0.040 0.000 1.039 286 T CA 1.322 63.437 62.100 0.024 0.000 1.142 286 T CB -0.396 68.423 68.868 -0.082 0.000 0.866 286 T HN 0.241 8.481 8.240 0.000 0.000 0.444 287 A N 0.624 123.462 122.820 0.031 0.000 1.969 287 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 287 A C 2.185 179.827 177.584 0.097 0.000 1.169 287 A CA 1.102 53.170 52.037 0.052 0.000 0.635 287 A CB -0.623 18.419 19.000 0.070 0.000 0.810 287 A HN 0.568 8.718 8.150 0.000 0.000 0.445 288 L N -0.824 120.459 121.223 0.100 0.000 2.291 288 L HA -0.004 4.335 4.340 -0.001 0.000 0.214 288 L C 2.652 179.764 176.870 0.404 0.000 1.120 288 L CA 0.595 55.557 54.840 0.203 0.000 0.799 288 L CB -0.471 41.658 42.059 0.115 0.000 0.925 288 L HN 0.467 8.697 8.230 0.000 0.000 0.446 289 G N 0.465 109.492 108.800 0.378 0.000 2.414 289 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.215 289 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.215 289 G C 1.480 176.414 174.900 0.057 0.000 1.188 289 G CA 0.280 45.523 45.100 0.238 0.000 0.783 289 G HN 0.118 8.408 8.290 0.000 0.000 0.537 290 I N 1.659 122.263 120.570 0.056 0.000 2.361 290 I HA -0.084 4.086 4.170 -0.001 0.000 0.251 290 I C 2.697 178.915 176.117 0.168 0.000 1.133 290 I CA 1.088 62.412 61.300 0.039 0.000 1.413 290 I CB -0.968 36.983 38.000 -0.082 0.000 1.073 290 I HN 0.085 8.295 8.210 0.000 0.000 0.424 291 S N -0.178 115.635 115.700 0.188 0.000 2.461 291 S HA -0.074 4.395 4.470 -0.001 0.000 0.228 291 S C 1.996 176.786 174.600 0.316 0.000 1.005 291 S CA 1.074 59.423 58.200 0.250 0.000 0.942 291 S CB 0.003 63.348 63.200 0.241 0.000 0.776 291 S HN 0.455 8.765 8.310 0.000 0.000 0.514 292 T N 1.593 116.301 114.554 0.257 0.000 2.939 292 T HA 0.216 4.565 4.350 -0.001 0.000 0.254 292 T C 1.448 176.248 174.700 0.166 0.000 1.041 292 T CA 0.592 62.848 62.100 0.260 0.000 1.142 292 T CB -0.134 68.836 68.868 0.169 0.000 0.874 292 T HN 0.285 8.525 8.240 0.000 0.000 0.452 293 M N 1.028 120.636 119.600 0.013 0.000 2.682 293 M HA 0.214 4.693 4.480 -0.001 0.000 0.235 293 M C 1.935 178.125 176.300 -0.183 0.000 1.114 293 M CA 0.059 55.241 55.300 -0.197 0.000 1.053 293 M CB 0.044 32.396 32.600 -0.414 0.000 1.599 293 M HN 0.165 8.455 8.290 0.000 0.000 0.520 294 A N -0.774 122.049 122.820 0.004 0.000 2.218 294 A HA 0.119 4.439 4.320 -0.001 0.000 0.209 294 A C 0.933 178.110 177.584 -0.679 0.000 1.168 294 A CA 0.555 52.477 52.037 -0.192 0.000 0.804 294 A CB -0.335 18.516 19.000 -0.248 0.000 0.834 294 A HN 0.509 8.659 8.150 0.000 0.000 0.482 295 F N -0.406 119.569 119.950 0.041 0.000 2.764 295 F HA 0.250 4.776 4.527 -0.001 0.000 0.310 295 F C 0.376 176.192 175.800 0.027 0.000 1.124 295 F CA -0.618 57.396 58.000 0.024 0.000 1.252 295 F CB 0.224 39.237 39.000 0.023 0.000 1.010 295 F HN 0.130 8.430 8.300 0.000 0.000 0.518 296 N N 1.152 119.923 118.700 0.118 0.000 2.747 296 N HA -0.198 4.542 4.740 -0.001 0.000 0.249 296 N C -0.594 174.973 175.510 0.095 0.000 1.107 296 N CA 0.378 53.509 53.050 0.134 0.000 0.707 296 N CB -1.359 37.191 38.487 0.106 0.000 1.054 296 N HN 0.252 8.632 8.380 0.000 0.000 0.555 297 L N 1.270 122.542 121.223 0.081 0.000 2.314 297 L HA 0.357 4.697 4.340 -0.001 0.000 0.275 297 L C 0.265 177.159 176.870 0.040 0.000 1.068 297 L CA -0.581 54.281 54.840 0.037 0.000 0.894 297 L CB 0.218 42.298 42.059 0.036 0.000 1.275 297 L HN 0.045 8.275 8.230 0.000 0.000 0.432 298 N N 2.191 120.909 118.700 0.030 0.000 2.431 298 N HA 0.399 5.138 4.740 -0.001 0.000 0.289 298 N C 0.345 175.860 175.510 0.009 0.000 1.277 298 N CA -0.133 52.959 53.050 0.070 0.000 0.972 298 N CB 0.174 38.702 38.487 0.069 0.000 1.143 298 N HN 0.548 8.928 8.380 0.000 0.000 0.578 299 G N -0.510 108.307 108.800 0.028 0.000 2.651 299 G HA2 0.332 4.291 3.960 -0.001 0.000 0.260 299 G HA3 0.332 4.291 3.960 -0.001 0.000 0.260 299 G C -0.513 174.216 174.900 -0.285 0.000 1.216 299 G CA -0.529 44.486 45.100 -0.140 0.000 0.913 299 G HN 0.311 8.601 8.290 0.000 0.000 0.535 300 F N 0.203 119.993 119.950 -0.266 0.000 2.607 300 F HA 0.058 4.584 4.527 -0.001 0.000 0.374 300 F C 1.141 176.572 175.800 -0.615 0.000 1.104 300 F CA 0.026 57.694 58.000 -0.553 0.000 1.296 300 F CB 0.590 39.120 39.000 -0.783 0.000 1.085 300 F HN 0.270 8.570 8.300 0.000 0.000 0.584 301 N N 4.595 123.028 118.700 -0.444 0.000 2.816 301 N HA 0.164 4.903 4.740 -0.001 0.000 0.236 301 N C -0.728 174.619 175.510 -0.272 0.000 1.076 301 N CA -0.329 52.555 53.050 -0.277 0.000 0.902 301 N CB -0.105 38.291 38.487 -0.152 0.000 1.149 301 N HN 0.475 8.855 8.380 0.000 0.000 0.506 302 F N 0.698 120.698 119.950 0.085 0.000 2.798 302 F HA 0.290 4.816 4.527 -0.001 0.000 0.291 302 F C 0.666 176.503 175.800 0.062 0.000 1.174 302 F CA -0.796 57.241 58.000 0.063 0.000 1.392 302 F CB 0.032 39.062 39.000 0.051 0.000 0.966 302 F HN 0.125 8.425 8.300 0.000 0.000 0.509 303 N N 1.443 120.237 118.700 0.157 0.000 2.431 303 N HA -0.002 4.737 4.740 -0.001 0.000 0.265 303 N C 0.119 175.727 175.510 0.163 0.000 1.184 303 N CA 0.435 53.552 53.050 0.112 0.000 0.943 303 N CB -0.182 38.276 38.487 -0.049 0.000 1.080 303 N HN 0.548 8.928 8.380 0.000 0.000 0.477 304 H N -0.514 118.593 119.070 0.061 0.000 2.880 304 H HA -0.154 4.401 4.556 -0.001 0.000 0.304 304 H C 0.481 175.838 175.328 0.049 0.000 1.259 304 H CA 0.135 56.206 56.048 0.039 0.000 1.153 304 H CB -1.143 28.634 29.762 0.025 0.000 1.395 304 H HN 0.464 8.744 8.280 0.000 0.000 0.420 305 S N -0.000 115.806 115.700 0.178 0.000 2.325 305 S HA -0.017 4.453 4.470 -0.001 0.000 0.214 305 S C 1.278 175.918 174.600 0.066 0.000 1.031 305 S CA 0.605 58.882 58.200 0.129 0.000 0.972 305 S CB 0.282 63.569 63.200 0.145 0.000 0.908 305 S HN 0.320 8.630 8.310 0.000 0.000 0.453 306 V N 5.162 125.095 119.914 0.032 0.000 2.421 306 V HA 0.372 4.491 4.120 -0.001 0.000 0.271 306 V C -0.438 175.647 176.094 -0.014 0.000 1.031 306 V CA -0.176 62.122 62.300 -0.003 0.000 1.032 306 V CB -0.803 31.003 31.823 -0.027 0.000 1.009 306 V HN 0.380 8.570 8.190 0.000 0.000 0.477 307 I N 4.542 125.105 120.570 -0.013 0.000 2.689 307 I HA 0.693 4.862 4.170 -0.001 0.000 0.299 307 I C -0.244 175.857 176.117 -0.026 0.000 1.059 307 I CA -0.938 60.346 61.300 -0.027 0.000 1.055 307 I CB 2.082 40.074 38.000 -0.013 0.000 1.243 307 I HN 0.622 8.832 8.210 0.000 0.000 0.425 308 D N 4.673 125.052 120.400 -0.034 0.000 2.440 308 D HA 0.225 4.865 4.640 -0.001 0.000 0.269 308 D C 1.201 177.488 176.300 -0.021 0.000 1.249 308 D CA 0.116 54.099 54.000 -0.029 0.000 1.055 308 D CB 1.134 41.913 40.800 -0.035 0.000 1.104 308 D HN 0.730 9.100 8.370 0.000 0.000 0.561 309 A N -0.460 122.348 122.820 -0.019 0.000 2.076 309 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 309 A C 2.071 179.647 177.584 -0.013 0.000 1.160 309 A CA 2.008 54.036 52.037 -0.015 0.000 0.653 309 A CB -0.692 18.299 19.000 -0.014 0.000 0.801 309 A HN 0.656 8.806 8.150 0.000 0.000 0.455 310 K N -2.356 118.034 120.400 -0.016 0.000 2.308 310 K HA 0.241 4.561 4.320 -0.001 0.000 0.197 310 K C 1.080 177.672 176.600 -0.013 0.000 1.049 310 K CA 0.969 57.247 56.287 -0.014 0.000 0.991 310 K CB 0.138 32.628 32.500 -0.017 0.000 0.836 310 K HN 0.577 8.827 8.250 0.000 0.000 0.500 311 G N 0.632 109.422 108.800 -0.017 0.000 2.367 311 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.181 311 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.181 311 G C -0.499 174.385 174.900 -0.028 0.000 1.000 311 G CA -0.500 44.592 45.100 -0.015 0.000 0.693 311 G HN 0.205 8.495 8.290 0.000 0.000 0.480 312 N N 0.489 119.166 118.700 -0.038 0.000 2.329 312 N HA 0.252 4.991 4.740 -0.001 0.000 0.237 312 N C 0.399 175.859 175.510 -0.083 0.000 1.258 312 N CA 0.521 53.536 53.050 -0.058 0.000 0.866 312 N CB 1.299 39.752 38.487 -0.056 0.000 1.102 312 N HN 0.147 8.527 8.380 0.000 0.000 0.440 313 V N 3.239 123.071 119.914 -0.137 0.000 2.406 313 V HA 0.203 4.322 4.120 -0.001 0.000 0.272 313 V C 0.456 176.448 176.094 -0.169 0.000 1.043 313 V CA -0.535 61.641 62.300 -0.207 0.000 0.915 313 V CB 0.779 32.320 31.823 -0.470 0.000 0.988 313 V HN 0.396 8.586 8.190 0.000 0.000 0.466 314 I N 4.996 125.493 120.570 -0.121 0.000 2.307 314 I HA 0.335 4.504 4.170 -0.001 0.000 0.289 314 I C 0.419 176.474 176.117 -0.103 0.000 1.021 314 I CA -0.541 60.697 61.300 -0.103 0.000 1.224 314 I CB 0.922 38.876 38.000 -0.077 0.000 1.376 314 I HN 0.555 8.765 8.210 0.000 0.000 0.470 315 N N 4.658 123.286 118.700 -0.119 0.000 2.453 315 N HA 0.260 5.000 4.740 -0.001 0.000 0.253 315 N C 0.418 175.849 175.510 -0.131 0.000 1.252 315 N CA 0.204 53.190 53.050 -0.107 0.000 0.917 315 N CB 0.946 39.357 38.487 -0.127 0.000 1.117 315 N HN 0.647 9.027 8.380 0.000 0.000 0.442 316 T N -3.548 110.950 114.554 -0.093 0.000 2.858 316 T HA 0.339 4.689 4.350 -0.001 0.000 0.285 316 T C 0.766 175.417 174.700 -0.081 0.000 1.052 316 T CA -0.802 61.235 62.100 -0.104 0.000 1.009 316 T CB 0.603 69.471 68.868 -0.001 0.000 1.241 316 T HN 0.531 8.771 8.240 0.000 0.000 0.542 317 W N 0.199 121.510 121.300 0.018 0.000 2.421 317 W HA 0.135 4.794 4.660 -0.001 0.000 0.270 317 W C 2.657 179.207 176.519 0.052 0.000 1.233 317 W CA 0.572 57.934 57.345 0.029 0.000 1.226 317 W CB -0.365 29.108 29.460 0.022 0.000 1.121 317 W HN 0.908 9.088 8.180 0.000 0.000 0.579 318 A N 0.029 123.009 122.820 0.267 0.000 1.972 318 A HA -0.213 4.106 4.320 -0.001 0.000 0.219 318 A C 1.731 179.426 177.584 0.185 0.000 1.169 318 A CA 1.991 54.171 52.037 0.238 0.000 0.635 318 A CB -0.593 18.570 19.000 0.271 0.000 0.810 318 A HN 0.224 8.374 8.150 0.000 0.000 0.446 319 D N -0.088 120.398 120.400 0.143 0.000 2.137 319 D HA -0.070 4.570 4.640 -0.001 0.000 0.202 319 D C 1.803 178.162 176.300 0.098 0.000 0.970 319 D CA 0.854 54.923 54.000 0.115 0.000 0.837 319 D CB -0.175 40.679 40.800 0.091 0.000 0.981 319 D HN 0.288 8.658 8.370 0.000 0.000 0.475 320 I N 1.657 122.287 120.570 0.100 0.000 2.423 320 I HA -0.201 3.969 4.170 -0.001 0.000 0.254 320 I C 2.438 178.639 176.117 0.141 0.000 1.151 320 I CA 0.771 62.142 61.300 0.120 0.000 1.421 320 I CB -0.848 37.270 38.000 0.196 0.000 1.079 320 I HN 0.054 8.264 8.210 0.000 0.000 0.431 321 I N 0.452 121.117 120.570 0.159 0.000 2.353 321 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 321 I C 2.195 178.356 176.117 0.074 0.000 1.119 321 I CA 0.989 62.361 61.300 0.120 0.000 1.417 321 I CB -0.394 37.684 38.000 0.130 0.000 1.078 321 I HN 0.226 8.436 8.210 0.000 0.000 0.421 322 N N 0.862 119.606 118.700 0.073 0.000 2.188 322 N HA -0.141 4.598 4.740 -0.001 0.000 0.184 322 N C 1.955 177.481 175.510 0.026 0.000 1.018 322 N CA 1.094 54.167 53.050 0.039 0.000 0.858 322 N CB 0.103 38.614 38.487 0.039 0.000 0.989 322 N HN 0.063 8.443 8.380 0.000 0.000 0.426 323 R N 0.455 120.979 120.500 0.040 0.000 2.070 323 R HA 0.028 4.367 4.340 -0.001 0.000 0.233 323 R C 2.094 178.406 176.300 0.020 0.000 1.137 323 R CA 1.255 57.373 56.100 0.029 0.000 0.945 323 R CB -1.350 28.972 30.300 0.036 0.000 0.845 323 R HN 0.286 8.556 8.270 0.000 0.000 0.430 324 A N 2.031 124.870 122.820 0.030 0.000 1.940 324 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 324 A C 1.907 179.490 177.584 -0.001 0.000 1.176 324 A CA 1.695 53.744 52.037 0.020 0.000 0.631 324 A CB -0.449 18.569 19.000 0.031 0.000 0.814 324 A HN 0.297 8.447 8.150 0.000 0.000 0.446 325 N N 0.037 118.733 118.700 -0.007 0.000 2.142 325 N HA -0.053 4.686 4.740 -0.001 0.000 0.186 325 N C 1.692 177.173 175.510 -0.049 0.000 1.023 325 N CA 1.231 54.259 53.050 -0.037 0.000 0.852 325 N CB -0.465 37.996 38.487 -0.043 0.000 0.998 325 N HN 0.512 8.892 8.380 0.000 0.000 0.424 326 L N 0.509 121.713 121.223 -0.032 0.000 2.042 326 L HA -0.115 4.224 4.340 -0.001 0.000 0.210 326 L C 2.444 179.299 176.870 -0.024 0.000 1.076 326 L CA 1.370 56.190 54.840 -0.032 0.000 0.749 326 L CB -0.940 41.108 42.059 -0.019 0.000 0.893 326 L HN 0.214 8.444 8.230 0.000 0.000 0.432 327 G N -0.168 108.623 108.800 -0.014 0.000 2.446 327 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 327 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 327 G C 1.604 176.501 174.900 -0.006 0.000 1.168 327 G CA 0.935 46.032 45.100 -0.006 0.000 0.771 327 G HN 0.228 8.518 8.290 0.000 0.000 0.551 328 M N 0.019 119.604 119.600 -0.024 0.000 2.099 328 M HA 0.015 4.494 4.480 -0.001 0.000 0.262 328 M C 2.409 178.682 176.300 -0.044 0.000 1.067 328 M CA 1.720 56.998 55.300 -0.037 0.000 1.124 328 M CB -0.394 32.160 32.600 -0.077 0.000 1.353 328 M HN 0.403 8.693 8.290 0.000 0.000 0.410 329 E N 0.699 120.847 120.200 -0.087 0.000 2.021 329 E HA -0.203 4.147 4.350 -0.001 0.000 0.200 329 E C 1.829 178.501 176.600 0.119 0.000 1.015 329 E CA 1.872 58.229 56.400 -0.072 0.000 0.824 329 E CB -0.059 29.589 29.700 -0.087 0.000 0.762 329 E HN 0.238 8.598 8.360 0.000 0.000 0.454 330 V N 0.897 120.823 119.914 0.020 0.000 2.660 330 V HA -0.242 3.877 4.120 -0.001 0.000 0.257 330 V C 2.093 178.184 176.094 -0.005 0.000 1.088 330 V CA 1.376 63.668 62.300 -0.013 0.000 1.106 330 V CB -0.284 31.526 31.823 -0.022 0.000 0.686 330 V HN 0.453 8.643 8.190 0.000 0.000 0.481 331 M N -1.433 118.196 119.600 0.050 0.000 2.421 331 M HA 0.192 4.671 4.480 -0.001 0.000 0.258 331 M C 0.919 177.258 176.300 0.065 0.000 1.122 331 M CA 0.268 55.589 55.300 0.035 0.000 1.078 331 M CB -0.484 32.135 32.600 0.031 0.000 1.380 331 M HN 0.581 8.871 8.290 0.000 0.000 0.499 332 H N 1.757 120.806 119.070 -0.035 0.000 2.732 332 H HA 0.143 4.698 4.556 -0.001 0.000 0.351 332 H C -0.425 174.925 175.328 0.037 0.000 1.090 332 H CA 0.646 56.695 56.048 0.002 0.000 1.431 332 H CB 0.131 29.898 29.762 0.009 0.000 1.447 332 H HN 0.265 8.545 8.280 0.000 0.000 0.582 333 E N 1.877 122.007 120.200 -0.116 0.000 2.252 333 E HA -0.281 4.068 4.350 -0.001 0.000 0.218 333 E C 1.015 177.568 176.600 -0.078 0.000 1.253 333 E CA 0.672 56.997 56.400 -0.126 0.000 0.705 333 E CB -1.065 28.535 29.700 -0.167 0.000 1.172 333 E HN 0.764 9.124 8.360 0.000 0.000 0.369 334 R N 1.053 121.516 120.500 -0.063 0.000 2.234 334 R HA -0.243 4.096 4.340 -0.001 0.000 0.241 334 R C 1.517 177.800 176.300 -0.029 0.000 1.115 334 R CA 2.421 58.492 56.100 -0.048 0.000 0.913 334 R CB -0.401 29.878 30.300 -0.035 0.000 0.911 334 R HN 0.370 8.640 8.270 0.000 0.000 0.430 335 N N -0.403 118.278 118.700 -0.033 0.000 2.383 335 N HA 0.062 4.802 4.740 -0.001 0.000 0.192 335 N C 0.757 176.232 175.510 -0.058 0.000 1.141 335 N CA 0.654 53.680 53.050 -0.041 0.000 0.851 335 N CB 0.770 39.228 38.487 -0.048 0.000 0.976 335 N HN 0.289 8.669 8.380 0.000 0.000 0.465 336 A N 0.270 123.059 122.820 -0.051 0.000 2.132 336 A HA 0.025 4.344 4.320 -0.001 0.000 0.213 336 A C 0.151 177.560 177.584 -0.291 0.000 1.154 336 A CA 0.457 52.386 52.037 -0.180 0.000 0.753 336 A CB -0.188 18.653 19.000 -0.265 0.000 0.826 336 A HN 0.222 8.372 8.150 0.000 0.000 0.469 337 H N -0.746 118.217 119.070 -0.178 0.000 2.473 337 H HA 0.465 5.020 4.556 -0.001 0.000 0.327 337 H C 0.186 175.355 175.328 -0.265 0.000 1.105 337 H CA -0.700 55.232 56.048 -0.193 0.000 1.280 337 H CB 0.902 30.575 29.762 -0.147 0.000 1.450 337 H HN 0.135 8.415 8.280 0.000 0.000 0.492 338 N N 1.451 119.936 118.700 -0.357 0.000 2.193 338 N HA 0.127 4.867 4.740 -0.001 0.000 0.210 338 N C -0.855 174.182 175.510 -0.788 0.000 1.215 338 N CA 0.163 52.805 53.050 -0.681 0.000 0.901 338 N CB 0.992 38.817 38.487 -1.102 0.000 1.060 338 N HN 0.365 8.745 8.380 0.000 0.000 0.508 339 F N -0.268 119.709 119.950 0.046 0.000 2.631 339 F HA 0.433 4.960 4.527 -0.001 0.000 0.328 339 F C -1.148 174.674 175.800 0.037 0.000 1.067 339 F CA -1.897 56.122 58.000 0.031 0.000 0.969 339 F CB 0.873 39.885 39.000 0.019 0.000 1.332 339 F HN -0.272 8.028 8.300 0.000 0.000 0.490 340 P HA -0.107 4.313 4.420 0.000 0.000 0.213 340 P C -0.380 176.973 177.300 0.089 0.000 1.170 340 P CA 1.324 64.493 63.100 0.114 0.000 0.902 340 P CB 0.105 31.854 31.700 0.082 0.000 0.789 341 L N -0.207 121.076 121.223 0.100 0.000 2.312 341 L HA 0.257 4.596 4.340 -0.001 0.000 0.281 341 L C 0.334 177.271 176.870 0.111 0.000 1.070 341 L CA -0.739 54.145 54.840 0.074 0.000 0.805 341 L CB 0.607 42.693 42.059 0.045 0.000 1.174 341 L HN -0.135 8.095 8.230 0.000 0.000 0.434 342 D N 4.255 124.711 120.400 0.093 0.000 2.494 342 D HA 0.234 4.873 4.640 -0.001 0.000 0.217 342 D C -0.235 176.108 176.300 0.071 0.000 1.153 342 D CA -0.076 54.006 54.000 0.138 0.000 0.954 342 D CB 0.359 41.247 40.800 0.147 0.000 1.034 342 D HN 0.351 8.721 8.370 0.000 0.000 0.518 343 L N 2.530 123.792 121.223 0.064 0.000 2.956 343 L HA 0.661 5.000 4.340 -0.001 0.000 0.232 343 L C 0.286 177.166 176.870 0.016 0.000 1.291 343 L CA -0.434 54.424 54.840 0.029 0.000 1.122 343 L CB -0.138 41.938 42.059 0.029 0.000 1.461 343 L HN 0.345 8.575 8.230 0.000 0.000 0.470 344 A N 0.000 122.826 122.820 0.010 0.000 2.254 344 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 344 A CA 0.000 52.028 52.037 -0.016 0.000 0.836 344 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 344 A HN 0.000 8.150 8.150 0.000 0.000 0.486