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 1fzt_21_A DATA FIRST_RESID 1 DATA SEQUENCE MTTEAAPNLL VLTRHGESEW NKLNLFTGWK DPALSETGIK EAKLGGERLK DATA SEQUENCE SRGYKFDIAF TSALQRAQKT CQIILEEVGE PNLETIKSEK LNERYYGDLQ DATA SEQUENCE GLNKDDARKK WGAEQVQIWR RSYDIAPPNG ESLKDTAERV LPYYKSTIVP DATA SEQUENCE HILKGEKVLI AAHGNSLRAL IMDLEGLTGD QIVKRELATG VPIVYHLDKD DATA SEQUENCE GKYVSKELID N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.371 4.480 -0.181 0.000 0.227 1 M C 0.000 176.247 176.300 -0.089 0.000 1.140 1 M CA 0.000 55.193 55.300 -0.179 0.000 0.988 1 M CB 0.000 32.469 32.600 -0.218 0.000 1.302 2 T N 2.913 117.432 114.554 -0.058 0.000 2.788 2 T HA 0.042 4.381 4.350 -0.018 0.000 0.280 2 T C -1.194 173.499 174.700 -0.011 0.000 0.984 2 T CA -0.991 61.095 62.100 -0.023 0.000 0.972 2 T CB 1.281 70.146 68.868 -0.005 0.000 1.039 2 T HN 0.041 8.248 8.240 -0.055 0.000 0.530 3 T N 1.834 116.390 114.554 0.003 0.000 3.559 3 T HA -0.089 4.338 4.350 0.006 -0.073 0.391 3 T C -1.566 173.140 174.700 0.010 0.000 1.522 3 T CA 0.539 62.641 62.100 0.004 0.000 1.159 3 T CB 0.527 69.392 68.868 -0.006 0.000 1.384 3 T HN -0.086 8.160 8.240 0.009 0.000 0.475 4 E N 3.550 123.756 120.200 0.011 0.000 2.264 4 E HA -0.494 3.863 4.350 0.011 0.000 0.223 4 E C -1.716 174.893 176.600 0.015 0.000 1.220 4 E CA 1.294 57.701 56.400 0.011 0.000 0.692 4 E CB -2.449 27.256 29.700 0.009 0.000 1.203 4 E HN 0.550 8.917 8.360 0.011 0.000 0.384 5 A N -4.223 118.608 122.820 0.018 0.000 1.581 5 A HA -0.445 3.889 4.320 0.023 0.000 0.205 5 A C -1.195 176.404 177.584 0.025 0.000 1.265 5 A CA 1.024 53.074 52.037 0.021 0.000 0.666 5 A CB -0.176 18.834 19.000 0.017 0.000 1.155 5 A HN -0.234 7.927 8.150 0.018 0.000 0.200 6 A N 2.938 125.777 122.820 0.032 0.000 2.511 6 A HA 0.241 4.587 4.320 0.043 0.000 0.293 6 A C -3.167 174.449 177.584 0.054 0.000 1.098 6 A CA -1.195 50.868 52.037 0.043 0.000 0.643 6 A CB 1.142 20.167 19.000 0.042 0.000 1.302 6 A HN -0.173 7.996 8.150 0.032 0.000 0.446 7 P HA -0.215 4.393 4.420 0.132 -0.109 0.235 7 P C -1.404 175.882 177.300 -0.022 0.000 1.080 7 P CA 0.358 63.529 63.100 0.119 0.000 1.096 7 P CB -1.704 30.198 31.700 0.337 0.000 1.085 8 N N 2.099 120.803 118.700 0.007 0.000 2.492 8 N HA -0.182 4.552 4.740 -0.009 0.000 0.260 8 N C -1.354 174.122 175.510 -0.056 0.000 1.215 8 N CA 1.244 54.295 53.050 0.001 0.000 0.923 8 N CB 1.077 39.606 38.487 0.070 0.000 1.092 8 N HN -0.230 8.180 8.380 0.050 0.000 0.448 9 L N 2.173 123.373 121.223 -0.039 0.000 2.322 9 L HA 0.348 4.783 4.340 -0.053 -0.127 0.281 9 L C -1.862 175.117 176.870 0.182 0.000 1.014 9 L CA -0.856 53.984 54.840 0.000 0.000 0.815 9 L CB 2.713 44.754 42.059 -0.030 0.000 1.247 9 L HN 0.244 8.468 8.230 -0.009 0.000 0.421 10 L N 6.721 128.094 121.223 0.250 0.000 2.372 10 L HA 0.584 5.298 4.340 0.352 -0.163 0.274 10 L C -2.075 174.993 176.870 0.329 0.000 0.988 10 L CA -0.789 54.246 54.840 0.326 0.000 0.833 10 L CB 3.725 45.985 42.059 0.335 0.000 1.236 10 L HN 0.510 8.878 8.230 0.231 0.000 0.410 11 V N 6.701 126.835 119.914 0.366 0.000 2.435 11 V HA 0.551 4.925 4.120 0.178 -0.148 0.290 11 V C -1.527 174.738 176.094 0.285 0.000 1.030 11 V CA -1.311 61.149 62.300 0.266 0.000 0.881 11 V CB 2.025 33.928 31.823 0.134 0.000 0.983 11 V HN 1.377 9.732 8.190 0.473 0.119 0.445 12 L N 5.794 127.146 121.223 0.215 0.000 2.334 12 L HA 0.708 5.316 4.340 0.163 -0.171 0.275 12 L C -0.675 176.262 176.870 0.112 0.000 1.036 12 L CA -1.289 53.651 54.840 0.167 0.000 0.807 12 L CB 1.752 43.913 42.059 0.171 0.000 1.231 12 L HN 1.093 9.315 8.230 0.204 0.130 0.438 13 T N 0.904 115.501 114.554 0.071 0.000 3.160 13 T HA 0.239 4.613 4.350 0.040 0.000 0.344 13 T C -0.956 173.748 174.700 0.007 0.000 0.981 13 T CA -0.743 61.380 62.100 0.038 0.000 1.170 13 T CB 0.649 69.536 68.868 0.032 0.000 1.016 13 T HN 0.976 9.149 8.240 0.066 0.107 0.492 14 R N 8.520 129.010 120.500 -0.017 0.000 2.537 14 R HA 0.027 4.330 4.340 -0.062 0.000 0.280 14 R C -0.076 176.151 176.300 -0.122 0.000 1.058 14 R CA -0.216 55.828 56.100 -0.092 0.000 1.057 14 R CB 1.243 31.459 30.300 -0.140 0.000 0.973 14 R HN 0.391 8.660 8.270 -0.002 0.000 0.438 15 H N 3.777 122.830 119.070 -0.028 0.000 3.140 15 H HA -0.208 4.340 4.556 -0.013 0.000 0.316 15 H C 0.629 175.987 175.328 0.049 0.000 0.986 15 H CA -0.015 56.032 56.048 -0.002 0.000 1.397 15 H CB -0.293 29.460 29.762 -0.016 0.000 1.377 15 H HN 0.469 8.785 8.280 0.060 0.000 0.585 16 G N 3.029 111.878 108.800 0.082 0.000 2.631 16 G HA2 -0.426 3.636 3.960 0.020 0.000 0.219 16 G HA3 -0.426 3.783 3.960 0.070 -0.206 0.219 16 G C -1.560 173.396 174.900 0.093 0.000 1.214 16 G CA 1.719 46.854 45.100 0.059 0.000 0.785 16 G HN 0.545 8.894 8.290 0.100 0.000 0.596 17 E N -4.250 116.069 120.200 0.200 0.000 2.382 17 E HA 0.167 4.744 4.350 0.379 0.000 0.280 17 E C -2.093 174.704 176.600 0.328 0.000 1.161 17 E CA -0.134 56.435 56.400 0.282 0.000 0.905 17 E CB 2.835 32.630 29.700 0.159 0.000 1.268 17 E HN -0.290 8.194 8.360 0.208 0.000 0.426 18 S N -0.760 115.218 115.700 0.463 0.000 2.632 18 S HA 0.235 4.807 4.470 0.240 0.043 0.289 18 S C 0.333 175.189 174.600 0.427 0.000 1.115 18 S CA -1.226 57.218 58.200 0.405 0.000 0.889 18 S CB 2.658 66.035 63.200 0.296 0.000 1.116 18 S HN 0.112 8.778 8.310 0.593 0.000 0.486 19 E N 5.730 126.090 120.200 0.267 0.000 2.187 19 E HA -0.367 4.065 4.350 0.137 0.000 0.199 19 E C 1.649 178.397 176.600 0.247 0.000 1.004 19 E CA 4.211 60.728 56.400 0.194 0.000 0.813 19 E CB 0.015 29.793 29.700 0.130 0.000 0.736 19 E HN 0.731 9.103 8.360 0.196 0.105 0.468 20 W N -2.982 118.333 121.300 0.024 0.000 2.387 20 W HA -0.224 4.443 4.660 0.012 0.000 0.272 20 W C 1.073 177.597 176.519 0.009 0.000 1.224 20 W CA -0.529 56.828 57.345 0.019 0.000 1.210 20 W CB -1.453 28.027 29.460 0.033 0.000 1.125 20 W HN -0.075 8.444 8.180 0.621 0.033 0.572 21 N N 1.601 120.124 118.700 -0.295 0.000 2.120 21 N HA -0.323 3.928 4.740 -0.814 0.000 0.188 21 N C 1.861 177.235 175.510 -0.227 0.000 1.024 21 N CA 2.980 55.761 53.050 -0.448 0.000 0.852 21 N CB -0.110 38.249 38.487 -0.212 0.000 1.003 21 N HN 0.289 8.570 8.380 0.125 0.174 0.424 22 K N -0.762 119.584 120.400 -0.089 0.000 2.103 22 K HA -0.217 4.060 4.320 -0.071 0.000 0.204 22 K C 1.768 178.331 176.600 -0.062 0.000 1.052 22 K CA 2.302 58.554 56.287 -0.057 0.000 0.945 22 K CB -0.102 32.392 32.500 -0.010 0.000 0.722 22 K HN -0.613 7.528 8.250 -0.026 0.093 0.443 23 L N -3.854 117.344 121.223 -0.042 0.000 2.217 23 L HA -0.177 4.150 4.340 -0.022 0.000 0.211 23 L C 0.337 177.158 176.870 -0.082 0.000 1.107 23 L CA 1.469 56.291 54.840 -0.029 0.000 0.783 23 L CB 0.577 42.655 42.059 0.031 0.000 0.919 23 L HN -0.725 7.417 8.230 -0.015 0.079 0.442 24 N N -3.687 114.912 118.700 -0.169 0.000 2.815 24 N HA -0.307 4.222 4.740 -0.351 0.000 0.248 24 N C -1.844 173.528 175.510 -0.231 0.000 1.110 24 N CA 0.928 53.833 53.050 -0.242 0.000 0.699 24 N CB -1.100 37.283 38.487 -0.173 0.000 1.040 24 N HN -0.341 7.794 8.380 -0.202 0.124 0.555 25 L N -7.245 113.875 121.223 -0.172 0.000 2.286 25 L HA 0.701 5.078 4.340 -0.113 -0.106 0.265 25 L C 0.213 177.127 176.870 0.073 0.000 1.012 25 L CA -1.967 52.848 54.840 -0.042 0.000 0.818 25 L CB 1.841 43.962 42.059 0.102 0.000 1.337 25 L HN -0.839 7.295 8.230 -0.161 0.000 0.438 26 F N 0.118 120.178 119.950 0.184 0.000 2.331 26 F HA 0.001 4.773 4.527 0.409 0.000 0.293 26 F C 0.797 176.907 175.800 0.516 0.000 1.277 26 F CA 1.013 59.201 58.000 0.312 0.000 1.204 26 F CB 1.200 40.181 39.000 -0.031 0.000 1.374 26 F HN 0.494 8.842 8.300 0.247 0.100 0.520 27 T N -0.324 114.531 114.554 0.501 0.000 3.478 27 T HA 0.040 4.322 4.350 -0.114 0.000 0.223 27 T C 0.320 174.988 174.700 -0.054 0.000 0.958 27 T CA 0.393 62.410 62.100 -0.138 0.000 1.324 27 T CB 2.211 70.560 68.868 -0.865 0.000 1.262 27 T HN 0.212 8.778 8.240 0.542 0.000 0.379 28 G N 0.683 109.471 108.800 -0.020 0.000 2.503 28 G HA2 -0.305 3.791 3.960 0.226 0.000 0.235 28 G HA3 -0.305 3.781 3.960 0.024 -0.112 0.235 28 G C -0.516 174.365 174.900 -0.031 0.000 1.179 28 G CA -0.057 45.072 45.100 0.049 0.000 0.944 28 G HN -0.367 7.912 8.290 -0.018 0.000 0.580 29 W N 2.750 123.742 121.300 -0.514 0.000 2.812 29 W HA 0.145 4.542 4.660 -0.438 0.000 0.263 29 W C 0.776 177.088 176.519 -0.346 0.000 1.284 29 W CA -0.006 57.025 57.345 -0.524 0.000 1.430 29 W CB 1.016 29.980 29.460 -0.826 0.000 1.088 29 W HN 0.235 8.586 8.180 -0.284 -0.342 0.623 30 K N -0.763 119.584 120.400 -0.089 0.000 2.339 30 K HA -0.216 4.062 4.320 -0.070 0.000 0.260 30 K C -1.064 175.436 176.600 -0.166 0.000 0.989 30 K CA 0.258 56.485 56.287 -0.099 0.000 0.888 30 K CB 0.198 32.657 32.500 -0.068 0.000 0.983 30 K HN -0.511 7.654 8.250 -0.088 0.032 0.515 31 D N -1.523 118.791 120.400 -0.144 0.000 2.461 31 D HA 0.372 4.883 4.640 -0.216 0.000 0.240 31 D C -1.664 174.546 176.300 -0.150 0.000 1.094 31 D CA -2.577 51.323 54.000 -0.168 0.000 0.868 31 D CB 0.128 40.846 40.800 -0.137 0.000 1.062 31 D HN -0.034 8.274 8.370 -0.104 0.000 0.530 32 P HA 0.084 4.450 4.420 -0.089 0.000 0.278 32 P C -2.117 175.121 177.300 -0.103 0.000 1.266 32 P CA -1.685 61.323 63.100 -0.153 0.000 0.807 32 P CB 2.207 33.741 31.700 -0.275 0.000 1.094 33 A N -0.502 122.299 122.820 -0.032 0.000 2.274 33 A HA 0.181 4.483 4.320 -0.030 0.000 0.309 33 A C -0.510 177.093 177.584 0.031 0.000 1.226 33 A CA -1.235 50.798 52.037 -0.008 0.000 0.853 33 A CB 1.442 20.447 19.000 0.008 0.000 1.146 33 A HN 0.086 8.234 8.150 -0.003 0.000 0.518 34 L N 2.370 123.609 121.223 0.025 0.000 2.428 34 L HA 0.025 4.579 4.340 0.106 -0.151 0.266 34 L C 0.311 177.228 176.870 0.079 0.000 1.269 34 L CA 1.418 56.298 54.840 0.068 0.000 0.821 34 L CB 0.935 43.025 42.059 0.051 0.000 1.095 34 L HN 0.538 8.767 8.230 -0.001 0.000 0.559 35 S N -1.709 114.045 115.700 0.090 0.000 2.697 35 S HA 0.344 4.850 4.470 0.060 0.000 0.289 35 S C -0.232 174.402 174.600 0.057 0.000 1.149 35 S CA -1.440 56.804 58.200 0.073 0.000 0.850 35 S CB 2.208 65.460 63.200 0.087 0.000 1.151 35 S HN -0.294 8.079 8.310 0.104 0.000 0.491 36 E N 1.800 122.026 120.200 0.043 0.000 2.070 36 E HA -0.351 4.017 4.350 0.031 0.000 0.197 36 E C 2.131 178.753 176.600 0.036 0.000 1.004 36 E CA 3.956 60.376 56.400 0.034 0.000 0.805 36 E CB -0.502 29.213 29.700 0.026 0.000 0.744 36 E HN 0.723 9.108 8.360 0.041 0.000 0.451 37 T N -0.119 114.459 114.554 0.040 0.000 2.788 37 T HA -0.241 4.127 4.350 0.030 0.000 0.268 37 T C 1.889 176.619 174.700 0.050 0.000 1.044 37 T CA 4.701 66.824 62.100 0.038 0.000 1.139 37 T CB -0.525 68.364 68.868 0.035 0.000 0.867 37 T HN 0.178 8.441 8.240 0.041 0.002 0.454 38 G N 2.017 110.860 108.800 0.070 0.000 2.433 38 G HA2 -0.270 3.685 3.960 0.092 0.000 0.216 38 G HA3 -0.270 3.940 3.960 0.111 -0.183 0.216 38 G C 1.329 176.267 174.900 0.063 0.000 1.186 38 G CA 1.959 47.111 45.100 0.087 0.000 0.779 38 G HN -0.604 7.624 8.290 0.074 0.106 0.543 39 I N 2.629 123.229 120.570 0.051 0.000 2.127 39 I HA -0.503 3.689 4.170 0.036 0.000 0.241 39 I C 1.651 177.787 176.117 0.032 0.000 1.075 39 I CA 2.477 63.799 61.300 0.037 0.000 1.334 39 I CB -1.146 36.872 38.000 0.030 0.000 1.040 39 I HN 0.592 8.716 8.210 0.053 0.117 0.405 40 K N 0.114 120.532 120.400 0.030 0.000 2.074 40 K HA -0.423 3.911 4.320 0.023 0.000 0.209 40 K C 2.340 178.956 176.600 0.027 0.000 1.048 40 K CA 3.806 60.109 56.287 0.026 0.000 0.926 40 K CB -0.524 31.990 32.500 0.023 0.000 0.713 40 K HN 0.729 8.876 8.250 0.032 0.123 0.444 41 E N -0.402 119.817 120.200 0.031 0.000 2.051 41 E HA -0.315 4.050 4.350 0.024 0.000 0.192 41 E C 2.403 179.021 176.600 0.030 0.000 0.991 41 E CA 2.828 59.245 56.400 0.029 0.000 0.799 41 E CB -0.351 29.369 29.700 0.033 0.000 0.748 41 E HN 0.299 8.471 8.360 0.036 0.210 0.449 42 A N 0.921 123.761 122.820 0.035 0.000 1.845 42 A HA -0.405 3.933 4.320 0.030 0.000 0.215 42 A C 2.036 179.637 177.584 0.029 0.000 1.195 42 A CA 3.546 55.601 52.037 0.031 0.000 0.616 42 A CB -0.802 18.217 19.000 0.032 0.000 0.832 42 A HN 0.888 8.869 8.150 0.040 0.193 0.443 43 K N -1.441 118.975 120.400 0.027 0.000 2.020 43 K HA -0.318 4.018 4.320 0.026 0.000 0.212 43 K C 2.472 179.090 176.600 0.030 0.000 1.050 43 K CA 2.958 59.261 56.287 0.026 0.000 0.929 43 K CB -0.499 32.014 32.500 0.023 0.000 0.714 43 K HN 0.363 8.513 8.250 0.027 0.116 0.443 44 L N -0.994 120.245 121.223 0.027 0.000 2.012 44 L HA -0.332 4.023 4.340 0.026 0.000 0.210 44 L C 1.653 178.542 176.870 0.031 0.000 1.073 44 L CA 2.896 57.752 54.840 0.027 0.000 0.748 44 L CB -0.724 41.348 42.059 0.022 0.000 0.891 44 L HN 0.458 8.587 8.230 0.026 0.117 0.431 45 G N -1.854 106.966 108.800 0.032 0.000 2.480 45 G HA2 -0.437 3.544 3.960 0.032 0.000 0.216 45 G HA3 -0.437 3.659 3.960 0.035 -0.115 0.216 45 G C 1.305 176.239 174.900 0.056 0.000 1.200 45 G CA 2.408 47.531 45.100 0.037 0.000 0.782 45 G HN 0.715 8.829 8.290 0.029 0.194 0.554 46 G N 1.544 110.380 108.800 0.059 0.000 2.446 46 G HA2 -0.400 3.634 3.960 0.124 0.000 0.217 46 G HA3 -0.400 3.601 3.960 0.069 0.000 0.217 46 G C 0.581 175.534 174.900 0.087 0.000 1.168 46 G CA 1.553 46.705 45.100 0.086 0.000 0.771 46 G HN 0.623 8.825 8.290 0.045 0.115 0.551 47 E N 2.480 122.716 120.200 0.060 0.000 2.097 47 E HA -0.437 3.946 4.350 0.056 0.000 0.196 47 E C 2.637 179.269 176.600 0.054 0.000 1.000 47 E CA 3.049 59.480 56.400 0.052 0.000 0.804 47 E CB -0.058 29.664 29.700 0.037 0.000 0.740 47 E HN 0.574 8.843 8.360 0.049 0.121 0.454 48 R N -1.746 118.783 120.500 0.049 0.000 2.090 48 R HA -0.208 4.153 4.340 0.036 0.000 0.228 48 R C 2.680 179.011 176.300 0.051 0.000 1.110 48 R CA 1.889 58.013 56.100 0.041 0.000 0.973 48 R CB -0.465 29.851 30.300 0.028 0.000 0.869 48 R HN 0.461 8.547 8.270 0.046 0.212 0.440 49 L N 1.144 122.412 121.223 0.075 0.000 2.017 49 L HA -0.305 4.227 4.340 0.035 -0.171 0.208 49 L C 1.703 178.660 176.870 0.146 0.000 1.073 49 L CA 3.206 58.108 54.840 0.104 0.000 0.745 49 L CB 0.095 42.275 42.059 0.202 0.000 0.894 49 L HN 0.628 8.693 8.230 0.080 0.212 0.432 50 K N -2.132 118.355 120.400 0.145 0.000 2.243 50 K HA -0.205 4.347 4.320 0.141 -0.148 0.201 50 K C 2.258 178.906 176.600 0.081 0.000 1.051 50 K CA 2.091 58.452 56.287 0.124 0.000 0.970 50 K CB -0.200 32.369 32.500 0.115 0.000 0.755 50 K HN 0.511 8.726 8.250 0.135 0.117 0.465 51 S N 0.929 116.670 115.700 0.067 0.000 2.392 51 S HA -0.306 4.189 4.470 0.041 0.000 0.225 51 S C 1.911 176.538 174.600 0.045 0.000 1.041 51 S CA 3.247 61.476 58.200 0.047 0.000 1.100 51 S CB -0.120 63.103 63.200 0.039 0.000 1.029 51 S HN 0.204 8.341 8.310 0.072 0.216 0.424 52 R N -2.064 118.465 120.500 0.049 0.000 2.170 52 R HA -0.213 4.149 4.340 0.035 0.000 0.242 52 R C 0.693 177.023 176.300 0.051 0.000 1.145 52 R CA 1.192 57.321 56.100 0.048 0.000 0.984 52 R CB 0.172 30.504 30.300 0.053 0.000 0.869 52 R HN -0.572 7.728 8.270 0.051 0.000 0.455 53 G N -5.381 103.456 108.800 0.061 0.000 2.145 53 G HA2 -0.310 3.741 3.960 0.027 0.000 0.145 53 G HA3 -0.310 3.660 3.960 0.018 0.000 0.145 53 G C -1.124 173.788 174.900 0.020 0.000 1.017 53 G CA -0.604 44.516 45.100 0.034 0.000 0.682 53 G HN -0.804 7.371 8.290 0.075 0.160 0.504 54 Y N 1.997 122.248 120.300 -0.081 0.000 2.539 54 Y HA -0.117 4.333 4.550 -0.167 0.000 0.352 54 Y C -1.172 174.578 175.900 -0.249 0.000 1.004 54 Y CA -0.097 57.897 58.100 -0.178 0.000 1.278 54 Y CB 0.236 38.571 38.460 -0.209 0.000 1.136 54 Y HN -0.681 7.701 8.280 0.170 0.000 0.528 55 K N 7.146 127.238 120.400 -0.513 0.000 2.095 55 K HA 0.085 4.337 4.320 -0.113 0.000 0.252 55 K C -1.164 175.093 176.600 -0.572 0.000 0.977 55 K CA -1.409 54.674 56.287 -0.340 0.000 0.900 55 K CB 1.620 34.001 32.500 -0.199 0.000 1.060 55 K HN -0.179 7.704 8.250 -0.610 0.000 0.449 56 F N -1.179 118.714 119.950 -0.094 0.000 2.556 56 F HA -0.020 4.463 4.527 -0.073 0.000 0.327 56 F C -0.891 174.852 175.800 -0.095 0.000 1.059 56 F CA -0.260 57.701 58.000 -0.065 0.000 0.953 56 F CB 3.139 42.141 39.000 0.004 0.000 1.227 56 F HN -0.053 8.329 8.300 0.136 0.000 0.478 57 D N -1.436 119.046 120.400 0.138 0.000 2.602 57 D HA 0.247 4.882 4.640 -0.008 0.000 0.284 57 D C -1.018 175.234 176.300 -0.080 0.000 1.065 57 D CA 0.827 54.828 54.000 0.002 0.000 0.923 57 D CB 2.660 43.442 40.800 -0.030 0.000 1.373 57 D HN -0.093 8.422 8.370 0.242 0.000 0.492 58 I N -1.398 119.105 120.570 -0.111 0.000 2.689 58 I HA 0.244 4.174 4.170 -0.401 0.000 0.299 58 I C -1.975 173.904 176.117 -0.397 0.000 1.059 58 I CA -2.201 58.868 61.300 -0.385 0.000 1.055 58 I CB 3.822 41.403 38.000 -0.698 0.000 1.243 58 I HN -0.172 8.059 8.210 0.035 0.000 0.425 59 A N 4.268 126.730 122.820 -0.596 0.000 2.357 59 A HA 0.343 4.511 4.320 -0.421 -0.101 0.295 59 A C -2.416 174.852 177.584 -0.527 0.000 1.121 59 A CA -1.151 50.593 52.037 -0.488 0.000 0.742 59 A CB 2.823 21.607 19.000 -0.359 0.000 1.181 59 A HN 1.141 8.815 8.150 -0.676 0.070 0.454 60 F N 5.118 125.033 119.950 -0.059 0.000 2.403 60 F HA 0.885 5.619 4.527 -0.014 -0.216 0.355 60 F C -0.655 175.106 175.800 -0.066 0.000 1.119 60 F CA -2.708 55.278 58.000 -0.024 0.000 1.007 60 F CB 2.573 41.601 39.000 0.047 0.000 1.194 60 F HN 1.201 9.315 8.300 -0.086 0.134 0.443 61 T N 1.104 115.721 114.554 0.105 0.000 2.926 61 T HA 0.924 5.468 4.350 -0.011 -0.200 0.289 61 T C -0.065 174.599 174.700 -0.060 0.000 1.054 61 T CA -2.057 60.039 62.100 -0.007 0.000 1.015 61 T CB 2.992 71.833 68.868 -0.045 0.000 1.167 61 T HN 0.904 9.107 8.240 0.131 0.117 0.526 62 S N 0.247 115.888 115.700 -0.098 0.000 2.634 62 S HA 0.202 4.716 4.470 -0.140 -0.128 0.261 62 S C 0.071 174.599 174.600 -0.120 0.000 1.271 62 S CA -0.675 57.458 58.200 -0.113 0.000 0.985 62 S CB 1.465 64.628 63.200 -0.062 0.000 0.968 62 S HN 0.276 8.521 8.310 -0.109 0.000 0.568 63 A N -1.047 121.686 122.820 -0.145 0.000 2.327 63 A HA 0.155 4.402 4.320 -0.122 0.000 0.228 63 A C -0.464 177.028 177.584 -0.153 0.000 1.275 63 A CA -0.061 51.885 52.037 -0.151 0.000 0.875 63 A CB -0.101 18.788 19.000 -0.185 0.000 0.925 63 A HN -0.097 8.229 8.150 -0.158 -0.271 0.493 64 L N -1.465 119.677 121.223 -0.135 0.000 2.334 64 L HA 0.200 4.443 4.340 -0.162 0.000 0.275 64 L C 1.280 178.069 176.870 -0.135 0.000 1.036 64 L CA -1.838 52.915 54.840 -0.146 0.000 0.807 64 L CB 1.676 43.657 42.059 -0.131 0.000 1.231 64 L HN -0.924 7.132 8.230 -0.114 0.106 0.438 65 Q N 3.717 123.439 119.800 -0.130 0.000 2.152 65 Q HA -0.443 3.844 4.340 -0.088 0.000 0.206 65 Q C 1.971 177.903 176.000 -0.112 0.000 0.985 65 Q CA 3.499 59.239 55.803 -0.105 0.000 0.863 65 Q CB -0.326 28.358 28.738 -0.091 0.000 0.904 65 Q HN 0.689 8.877 8.270 -0.136 0.000 0.422 66 R N -0.039 120.362 120.500 -0.166 0.000 2.094 66 R HA -0.378 3.891 4.340 -0.119 0.000 0.239 66 R C 2.239 178.464 176.300 -0.125 0.000 1.137 66 R CA 3.800 59.786 56.100 -0.190 0.000 0.943 66 R CB -0.582 29.445 30.300 -0.454 0.000 0.850 66 R HN 0.315 8.454 8.270 -0.193 0.016 0.433 67 A N -1.720 121.007 122.820 -0.155 0.000 1.975 67 A HA -0.168 4.123 4.320 -0.047 0.000 0.215 67 A C 1.723 179.260 177.584 -0.078 0.000 1.170 67 A CA 2.606 54.584 52.037 -0.097 0.000 0.656 67 A CB -0.489 18.430 19.000 -0.136 0.000 0.821 67 A HN -0.391 7.637 8.150 -0.203 0.000 0.449 68 Q N -1.063 118.685 119.800 -0.086 0.000 2.224 68 Q HA -0.328 3.972 4.340 -0.066 0.000 0.203 68 Q C 1.791 177.757 176.000 -0.056 0.000 0.970 68 Q CA 3.280 59.041 55.803 -0.070 0.000 0.865 68 Q CB -0.114 28.579 28.738 -0.074 0.000 0.922 68 Q HN 0.678 8.708 8.270 -0.105 0.177 0.445 69 K N -0.920 119.448 120.400 -0.053 0.000 2.141 69 K HA -0.083 4.216 4.320 -0.034 0.000 0.202 69 K C 1.972 178.557 176.600 -0.025 0.000 1.045 69 K CA 2.868 59.134 56.287 -0.036 0.000 0.971 69 K CB 0.254 32.735 32.500 -0.033 0.000 0.795 69 K HN 0.348 8.331 8.250 -0.065 0.228 0.459 70 T N 3.543 118.085 114.554 -0.019 0.000 2.849 70 T HA -0.396 3.959 4.350 0.008 0.000 0.270 70 T C 1.494 176.180 174.700 -0.023 0.000 1.066 70 T CA 4.671 66.770 62.100 -0.001 0.000 1.130 70 T CB -0.234 68.653 68.868 0.032 0.000 0.864 70 T HN 0.376 8.473 8.240 -0.028 0.126 0.481 71 C N 0.519 119.793 119.300 -0.043 0.000 2.496 71 C HA -0.482 3.929 4.460 -0.082 0.000 0.281 71 C C 1.093 176.047 174.990 -0.060 0.000 1.250 71 C CA 4.585 63.563 59.018 -0.066 0.000 1.717 71 C CB -0.474 27.221 27.740 -0.074 0.000 2.082 71 C HN 0.286 8.356 8.230 -0.044 0.133 0.472 72 Q N -0.450 119.322 119.800 -0.047 0.000 2.096 72 Q HA -0.435 3.880 4.340 -0.043 0.000 0.208 72 Q C 2.618 178.602 176.000 -0.027 0.000 0.993 72 Q CA 3.608 59.389 55.803 -0.037 0.000 0.862 72 Q CB -0.216 28.505 28.738 -0.029 0.000 0.915 72 Q HN -0.459 7.784 8.270 -0.045 0.000 0.416 73 I N -0.850 119.709 120.570 -0.019 0.000 2.058 73 I HA -0.587 3.581 4.170 -0.004 0.000 0.235 73 I C 1.829 177.943 176.117 -0.006 0.000 1.053 73 I CA 4.179 65.475 61.300 -0.007 0.000 1.313 73 I CB -0.338 37.663 38.000 0.002 0.000 1.039 73 I HN -0.564 7.634 8.210 -0.020 -0.000 0.396 74 I N 0.197 120.760 120.570 -0.011 0.000 2.151 74 I HA -0.486 3.692 4.170 0.015 0.000 0.243 74 I C 2.307 178.414 176.117 -0.015 0.000 1.080 74 I CA 3.001 64.296 61.300 -0.008 0.000 1.339 74 I CB -0.698 37.286 38.000 -0.027 0.000 1.039 74 I HN -0.303 7.898 8.210 -0.015 0.000 0.409 75 L N -0.847 120.346 121.223 -0.050 0.000 1.961 75 L HA -0.495 3.808 4.340 -0.063 0.000 0.210 75 L C 1.476 178.339 176.870 -0.012 0.000 1.072 75 L CA 4.124 58.932 54.840 -0.054 0.000 0.749 75 L CB -0.358 41.651 42.059 -0.082 0.000 0.889 75 L HN 0.720 8.794 8.230 -0.060 0.120 0.432 76 E N -1.742 118.450 120.200 -0.014 0.000 2.273 76 E HA -0.437 3.912 4.350 -0.003 0.000 0.198 76 E C 2.718 179.324 176.600 0.011 0.000 1.002 76 E CA 2.858 59.257 56.400 -0.002 0.000 0.828 76 E CB -0.695 29.001 29.700 -0.006 0.000 0.747 76 E HN 0.539 8.762 8.360 -0.023 0.123 0.491 77 E N -1.176 119.034 120.200 0.016 0.000 2.122 77 E HA -0.132 4.233 4.350 0.025 0.000 0.190 77 E C 1.757 178.386 176.600 0.047 0.000 0.977 77 E CA 1.841 58.259 56.400 0.029 0.000 0.820 77 E CB -0.196 29.522 29.700 0.030 0.000 0.770 77 E HN 0.098 8.220 8.360 0.009 0.243 0.462 78 V N -2.010 117.942 119.914 0.064 0.000 2.295 78 V HA -0.386 3.807 4.120 0.121 0.000 0.246 78 V C 1.679 177.822 176.094 0.081 0.000 1.049 78 V CA 2.623 64.988 62.300 0.107 0.000 1.024 78 V CB 0.527 32.454 31.823 0.174 0.000 0.648 78 V HN 0.224 8.232 8.190 0.048 0.211 0.447 79 G N -3.772 105.062 108.800 0.056 0.000 2.147 79 G HA2 -0.245 3.731 3.960 0.027 0.000 0.128 79 G HA3 -0.245 3.739 3.960 0.040 0.000 0.128 79 G C -1.065 173.856 174.900 0.034 0.000 1.026 79 G CA -0.079 45.044 45.100 0.039 0.000 0.693 79 G HN -0.071 8.246 8.290 0.046 0.000 0.499 80 E N -2.206 118.014 120.200 0.034 0.000 4.090 80 E HA 0.487 4.845 4.350 0.013 0.000 0.235 80 E C -1.905 174.692 176.600 -0.004 0.000 1.187 80 E CA -2.761 53.652 56.400 0.022 0.000 1.308 80 E CB -0.207 29.523 29.700 0.049 0.000 1.222 80 E HN -0.642 7.739 8.360 0.035 0.000 0.414 81 P HA -0.067 4.329 4.420 -0.041 0.000 0.218 81 P C -0.385 176.894 177.300 -0.035 0.000 1.149 81 P CA 1.833 64.916 63.100 -0.029 0.000 0.817 81 P CB 0.207 31.895 31.700 -0.021 0.000 0.785 82 N N -5.053 113.631 118.700 -0.027 0.000 2.289 82 N HA -0.242 4.480 4.740 -0.030 0.000 0.184 82 N C 0.122 175.608 175.510 -0.041 0.000 1.016 82 N CA 0.250 53.282 53.050 -0.029 0.000 0.872 82 N CB -1.250 37.225 38.487 -0.021 0.000 0.973 82 N HN 0.097 8.447 8.380 -0.018 0.018 0.433 83 L N 0.740 121.938 121.223 -0.042 0.000 2.517 83 L HA -0.207 4.103 4.340 -0.050 0.000 0.294 83 L C 0.270 177.083 176.870 -0.095 0.000 1.264 83 L CA 0.719 55.524 54.840 -0.058 0.000 0.839 83 L CB 0.686 42.720 42.059 -0.042 0.000 1.098 83 L HN -0.684 7.379 8.230 -0.031 0.148 0.525 84 E N 2.681 122.805 120.200 -0.127 0.000 2.026 84 E HA -0.185 4.091 4.350 -0.123 0.000 0.249 84 E C -1.197 175.269 176.600 -0.224 0.000 1.273 84 E CA 0.825 57.123 56.400 -0.170 0.000 0.991 84 E CB -1.890 27.676 29.700 -0.224 0.000 1.076 84 E HN 0.233 8.522 8.360 -0.118 0.000 0.438 85 T N 5.559 120.019 114.554 -0.156 0.000 2.891 85 T HA 0.031 4.253 4.350 -0.213 0.000 0.315 85 T C -1.544 173.096 174.700 -0.100 0.000 1.054 85 T CA 0.773 62.781 62.100 -0.153 0.000 0.958 85 T CB -0.121 68.680 68.868 -0.111 0.000 1.008 85 T HN 0.170 8.331 8.240 -0.114 0.011 0.521 86 I N 5.133 125.639 120.570 -0.107 0.000 2.910 86 I HA 0.688 4.890 4.170 0.054 0.000 0.310 86 I C -2.826 173.382 176.117 0.152 0.000 1.043 86 I CA -2.752 58.585 61.300 0.061 0.000 1.053 86 I CB 2.964 41.073 38.000 0.181 0.000 1.242 86 I HN 0.998 8.952 8.210 -0.235 0.115 0.452 87 K N 0.326 120.826 120.400 0.168 0.000 2.466 87 K HA 0.774 5.282 4.320 0.080 -0.140 0.277 87 K C -2.082 174.436 176.600 -0.138 0.000 1.039 87 K CA -2.099 54.212 56.287 0.041 0.000 0.904 87 K CB 3.201 35.685 32.500 -0.027 0.000 1.506 87 K HN 0.249 8.611 8.250 0.186 0.000 0.441 88 S N -2.188 113.296 115.700 -0.359 0.000 2.556 88 S HA 0.315 4.538 4.470 -0.411 0.000 0.271 88 S C -0.934 173.467 174.600 -0.333 0.000 1.135 88 S CA -1.741 56.101 58.200 -0.597 0.000 0.858 88 S CB 2.338 64.629 63.200 -1.516 0.000 1.114 88 S HN 0.494 8.555 8.310 -0.259 0.094 0.468 89 E N 5.167 125.218 120.200 -0.248 0.000 2.158 89 E HA -0.188 4.101 4.350 -0.265 -0.098 0.191 89 E C 1.428 177.876 176.600 -0.252 0.000 0.982 89 E CA 2.528 58.782 56.400 -0.245 0.000 0.823 89 E CB 0.005 29.581 29.700 -0.207 0.000 0.766 89 E HN 0.577 8.820 8.360 -0.195 0.000 0.468 90 K N -1.339 118.953 120.400 -0.181 0.000 2.432 90 K HA -0.156 4.125 4.320 -0.064 0.000 0.196 90 K C 1.729 178.271 176.600 -0.096 0.000 1.038 90 K CA 2.089 58.320 56.287 -0.094 0.000 0.986 90 K CB -0.268 32.227 32.500 -0.008 0.000 0.782 90 K HN -0.478 7.638 8.250 -0.189 0.021 0.485 91 L N -2.409 118.715 121.223 -0.165 0.000 2.627 91 L HA -0.029 4.284 4.340 -0.045 0.000 0.233 91 L C -0.132 176.771 176.870 0.055 0.000 1.144 91 L CA -0.332 54.457 54.840 -0.086 0.000 0.892 91 L CB -0.417 41.541 42.059 -0.168 0.000 1.039 91 L HN -0.445 7.452 8.230 -0.247 0.185 0.442 92 N N -0.114 118.572 118.700 -0.024 0.000 2.322 92 N HA 0.058 4.986 4.740 0.313 0.000 0.270 92 N C 0.173 175.597 175.510 -0.144 0.000 1.286 92 N CA -0.478 52.543 53.050 -0.049 0.000 0.948 92 N CB 0.499 38.761 38.487 -0.374 0.000 1.164 92 N HN -0.821 7.390 8.380 -0.125 0.094 0.551 93 E N 0.339 120.136 120.200 -0.671 0.000 2.331 93 E HA -0.030 4.218 4.350 -0.170 0.000 0.272 93 E C 0.006 176.605 176.600 -0.001 0.000 1.036 93 E CA -1.071 55.098 56.400 -0.385 0.000 0.864 93 E CB 0.965 30.349 29.700 -0.527 0.000 1.035 93 E HN 0.215 8.005 8.360 -0.950 0.000 0.408 94 R N 6.884 127.415 120.500 0.051 0.000 2.485 94 R HA -0.295 4.113 4.340 0.114 0.000 0.304 94 R C -0.394 175.938 176.300 0.054 0.000 0.934 94 R CA 1.110 57.231 56.100 0.036 0.000 1.102 94 R CB -0.209 30.022 30.300 -0.115 0.000 0.906 94 R HN 0.370 8.669 8.270 0.049 0.000 0.407 95 Y N 8.966 129.239 120.300 -0.045 0.000 2.804 95 Y HA -0.246 4.270 4.550 -0.057 0.000 0.338 95 Y C -0.485 175.255 175.900 -0.267 0.000 1.252 95 Y CA -0.175 57.787 58.100 -0.232 0.000 1.576 95 Y CB -0.353 37.713 38.460 -0.657 0.000 1.223 95 Y HN -0.321 8.312 8.280 0.240 -0.209 0.536 96 Y N 10.407 130.792 120.300 0.141 0.000 2.740 96 Y HA 0.050 4.502 4.550 -0.162 0.000 0.356 96 Y C 0.523 176.397 175.900 -0.043 0.000 1.101 96 Y CA -0.270 57.780 58.100 -0.082 0.000 1.477 96 Y CB -0.672 37.611 38.460 -0.294 0.000 1.296 96 Y HN -0.149 8.493 8.280 0.365 -0.143 0.507 97 G N 2.294 111.121 108.800 0.045 0.000 2.693 97 G HA2 -0.648 2.977 3.960 -0.461 0.000 0.354 97 G HA3 -0.648 3.506 3.960 -0.227 -0.330 0.354 97 G C 0.476 175.391 174.900 0.024 0.000 1.207 97 G CA 1.854 46.856 45.100 -0.163 0.000 0.958 97 G HN 0.114 8.324 8.290 0.041 0.105 0.560 98 D N 2.074 122.473 120.400 -0.002 0.000 2.349 98 D HA 0.129 4.817 4.640 0.081 0.000 0.214 98 D C 1.605 177.995 176.300 0.150 0.000 1.063 98 D CA 0.378 54.420 54.000 0.069 0.000 0.847 98 D CB 0.292 41.117 40.800 0.043 0.000 0.933 98 D HN -0.470 7.857 8.370 -0.072 0.000 0.513 99 L N -2.388 118.937 121.223 0.169 0.000 2.341 99 L HA 0.060 4.620 4.340 0.366 0.000 0.214 99 L C 0.142 177.159 176.870 0.245 0.000 1.115 99 L CA 0.672 55.670 54.840 0.264 0.000 0.820 99 L CB -0.161 42.011 42.059 0.189 0.000 0.944 99 L HN 0.389 8.521 8.230 0.111 0.165 0.452 100 Q N -0.346 119.564 119.800 0.184 0.000 2.520 100 Q HA -0.338 4.090 4.340 0.146 0.000 0.320 100 Q C 0.671 176.798 176.000 0.212 0.000 1.104 100 Q CA 1.498 57.408 55.803 0.177 0.000 1.062 100 Q CB -0.398 28.428 28.738 0.146 0.000 1.005 100 Q HN -0.767 7.589 8.270 0.193 0.029 0.390 101 G N 0.671 109.649 108.800 0.297 0.000 2.157 101 G HA2 -0.304 3.990 3.960 0.298 0.000 0.248 101 G HA3 -0.304 3.765 3.960 0.182 0.000 0.248 101 G C -1.117 173.914 174.900 0.218 0.000 0.979 101 G CA -0.039 45.212 45.100 0.252 0.000 0.650 101 G HN 0.269 8.735 8.290 0.407 0.068 0.529 102 L N -0.612 120.780 121.223 0.282 0.000 2.371 102 L HA 0.206 4.625 4.340 0.132 0.000 0.272 102 L C -0.847 176.076 176.870 0.089 0.000 1.124 102 L CA -0.503 54.459 54.840 0.204 0.000 0.816 102 L CB 1.663 43.901 42.059 0.299 0.000 1.129 102 L HN 0.015 8.341 8.230 0.405 0.147 0.448 103 N N 4.271 122.980 118.700 0.016 0.000 2.452 103 N HA -0.142 4.772 4.740 -0.094 -0.230 0.266 103 N C 0.916 176.359 175.510 -0.111 0.000 1.209 103 N CA 1.490 54.502 53.050 -0.063 0.000 0.929 103 N CB 0.557 39.015 38.487 -0.049 0.000 1.063 103 N HN 0.386 8.782 8.380 0.027 0.000 0.472 104 K N 6.628 126.887 120.400 -0.236 0.000 2.173 104 K HA -0.455 3.679 4.320 -0.310 0.000 0.207 104 K C 1.547 178.083 176.600 -0.106 0.000 1.046 104 K CA 4.532 60.664 56.287 -0.259 0.000 0.929 104 K CB -0.125 32.172 32.500 -0.339 0.000 0.720 104 K HN 0.662 8.637 8.250 -0.279 0.107 0.453 105 D N -1.293 119.051 120.400 -0.094 0.000 2.104 105 D HA -0.263 4.350 4.640 -0.046 0.000 0.194 105 D C 2.384 178.660 176.300 -0.039 0.000 0.994 105 D CA 3.350 57.316 54.000 -0.056 0.000 0.830 105 D CB -0.677 40.089 40.800 -0.057 0.000 0.959 105 D HN 0.047 8.328 8.370 -0.115 0.020 0.452 106 D N 0.407 120.778 120.400 -0.048 0.000 2.084 106 D HA -0.267 4.328 4.640 -0.075 0.000 0.194 106 D C 1.878 178.144 176.300 -0.057 0.000 0.990 106 D CA 3.446 57.406 54.000 -0.067 0.000 0.826 106 D CB -0.104 40.651 40.800 -0.075 0.000 0.971 106 D HN -0.358 7.885 8.370 -0.055 0.094 0.453 107 A N -0.509 122.334 122.820 0.038 0.000 1.873 107 A HA -0.324 4.164 4.320 0.280 0.000 0.218 107 A C 2.083 179.819 177.584 0.253 0.000 1.193 107 A CA 3.219 55.406 52.037 0.251 0.000 0.629 107 A CB -0.533 18.691 19.000 0.373 0.000 0.826 107 A HN 0.556 8.553 8.150 0.023 0.167 0.447 108 R N -3.562 117.023 120.500 0.143 0.000 2.235 108 R HA -0.203 4.328 4.340 0.203 -0.070 0.213 108 R C 2.446 178.794 176.300 0.080 0.000 1.059 108 R CA 2.687 58.865 56.100 0.130 0.000 0.997 108 R CB -0.349 29.993 30.300 0.070 0.000 0.884 108 R HN 0.724 8.917 8.270 0.078 0.124 0.462 109 K N -0.421 119.994 120.400 0.026 0.000 2.314 109 K HA -0.074 4.250 4.320 0.007 0.000 0.198 109 K C 1.508 178.084 176.600 -0.039 0.000 1.045 109 K CA 2.293 58.574 56.287 -0.010 0.000 0.988 109 K CB 0.143 32.621 32.500 -0.036 0.000 0.783 109 K HN 0.196 8.187 8.250 0.013 0.267 0.484 110 K N -2.750 117.594 120.400 -0.093 0.000 2.399 110 K HA 0.059 4.294 4.320 -0.142 0.000 0.196 110 K C 0.581 177.108 176.600 -0.123 0.000 1.117 110 K CA 1.607 57.759 56.287 -0.224 0.000 0.965 110 K CB 1.942 34.128 32.500 -0.524 0.000 0.983 110 K HN 0.225 8.212 8.250 -0.069 0.221 0.531 111 W N -3.063 118.334 121.300 0.160 0.000 2.865 111 W HA 0.313 5.296 4.660 0.258 -0.169 0.300 111 W C 0.083 176.711 176.519 0.182 0.000 1.096 111 W CA -1.030 56.464 57.345 0.247 0.000 1.524 111 W CB 2.209 31.916 29.460 0.412 0.000 0.991 111 W HN 0.208 8.375 8.180 0.178 0.120 0.571 112 G N -1.103 107.887 108.800 0.317 0.000 2.992 112 G HA2 -0.460 3.709 3.960 0.153 0.000 0.340 112 G HA3 -0.460 3.598 3.960 0.163 0.000 0.340 112 G C 0.137 175.161 174.900 0.206 0.000 1.539 112 G CA 0.040 45.261 45.100 0.203 0.000 0.997 112 G HN -0.571 7.778 8.290 0.264 0.099 0.561 113 A N 2.419 125.319 122.820 0.134 0.000 1.927 113 A HA -0.444 3.954 4.320 0.131 0.000 0.220 113 A C 1.858 179.502 177.584 0.099 0.000 1.185 113 A CA 3.339 55.444 52.037 0.113 0.000 0.639 113 A CB -0.417 18.626 19.000 0.072 0.000 0.820 113 A HN 0.725 8.938 8.150 0.106 0.000 0.451 114 E N -0.715 119.532 120.200 0.078 0.000 1.997 114 E HA -0.511 3.843 4.350 0.006 0.000 0.201 114 E C 2.221 178.812 176.600 -0.015 0.000 1.011 114 E CA 3.520 59.936 56.400 0.027 0.000 0.847 114 E CB -0.957 28.756 29.700 0.022 0.000 0.787 114 E HN -0.257 8.147 8.360 0.084 0.007 0.472 115 Q N -0.761 119.056 119.800 0.028 0.000 2.077 115 Q HA -0.333 3.749 4.340 -0.431 0.000 0.206 115 Q C 2.994 178.958 176.000 -0.060 0.000 0.989 115 Q CA 3.183 58.916 55.803 -0.117 0.000 0.853 115 Q CB -0.015 28.881 28.738 0.263 0.000 0.907 115 Q HN -0.347 7.986 8.270 0.104 0.000 0.418 116 V N -2.341 117.775 119.914 0.337 0.000 2.392 116 V HA -0.476 4.018 4.120 0.622 0.000 0.249 116 V C 1.347 177.599 176.094 0.263 0.000 1.059 116 V CA 3.635 66.199 62.300 0.441 0.000 1.051 116 V CB -0.938 31.157 31.823 0.454 0.000 0.658 116 V HN 0.379 8.599 8.190 0.363 0.188 0.455 117 Q N 0.720 120.597 119.800 0.130 0.000 2.002 117 Q HA -0.314 4.105 4.340 0.133 0.000 0.204 117 Q C 2.672 178.674 176.000 0.003 0.000 0.988 117 Q CA 3.177 59.027 55.803 0.078 0.000 0.843 117 Q CB 0.022 28.782 28.738 0.036 0.000 0.908 117 Q HN 0.075 8.196 8.270 0.115 0.218 0.420 118 I N -1.344 119.134 120.570 -0.153 0.000 2.916 118 I HA -0.329 3.741 4.170 -0.166 0.000 0.267 118 I C 0.078 176.017 176.117 -0.297 0.000 1.263 118 I CA 2.240 63.367 61.300 -0.287 0.000 1.471 118 I CB -0.807 36.902 38.000 -0.486 0.000 1.089 118 I HN 0.057 8.160 8.210 -0.180 0.000 0.468 119 W N -3.498 117.742 121.300 -0.100 0.000 2.588 119 W HA -0.139 4.374 4.660 -0.245 0.000 0.277 119 W C 1.595 178.044 176.519 -0.117 0.000 1.221 119 W CA 0.818 58.048 57.345 -0.193 0.000 1.355 119 W CB 1.063 30.314 29.460 -0.348 0.000 1.083 119 W HN -0.422 7.613 8.180 -0.025 0.130 0.581 120 R N -3.234 117.433 120.500 0.277 0.000 2.221 120 R HA 0.189 4.588 4.340 0.100 0.000 0.195 120 R C 1.796 178.205 176.300 0.181 0.000 0.956 120 R CA 2.237 58.503 56.100 0.277 0.000 1.064 120 R CB -0.240 30.413 30.300 0.587 0.000 1.049 120 R HN 0.926 9.255 8.270 0.288 0.113 0.534 121 R N -0.998 119.594 120.500 0.153 0.000 2.210 121 R HA 0.106 4.524 4.340 0.130 0.000 0.203 121 R C 0.984 177.328 176.300 0.074 0.000 1.010 121 R CA -0.628 55.539 56.100 0.112 0.000 1.008 121 R CB -0.070 30.288 30.300 0.096 0.000 0.923 121 R HN 0.461 8.710 8.270 0.158 0.115 0.469 122 S N 1.930 117.654 115.700 0.040 0.000 2.527 122 S HA -0.316 4.166 4.470 0.020 0.000 0.274 122 S C -0.063 174.589 174.600 0.087 0.000 1.349 122 S CA 1.072 59.287 58.200 0.025 0.000 1.011 122 S CB 0.217 63.398 63.200 -0.032 0.000 0.837 122 S HN -0.314 8.017 8.310 0.035 0.000 0.524 123 Y N 2.463 122.737 120.300 -0.043 0.000 2.266 123 Y HA -0.138 4.394 4.550 -0.029 0.000 0.294 123 Y C 0.381 176.257 175.900 -0.040 0.000 1.127 123 Y CA 3.079 61.157 58.100 -0.036 0.000 1.140 123 Y CB 0.916 39.355 38.460 -0.035 0.000 1.071 123 Y HN 0.296 8.672 8.280 0.159 0.000 0.525 124 D N -3.878 116.371 120.400 -0.252 0.000 2.482 124 D HA 0.022 4.394 4.640 -0.447 0.000 0.251 124 D C -0.041 176.162 176.300 -0.163 0.000 1.073 124 D CA 0.398 54.195 54.000 -0.338 0.000 0.892 124 D CB 0.179 40.783 40.800 -0.326 0.000 1.202 124 D HN -0.129 8.221 8.370 -0.033 0.000 0.496 125 I N 1.357 121.872 120.570 -0.093 0.000 2.494 125 I HA -0.125 4.017 4.170 -0.047 0.000 0.289 125 I C -1.443 174.667 176.117 -0.012 0.000 1.106 125 I CA -0.697 60.570 61.300 -0.054 0.000 1.369 125 I CB -0.187 37.764 38.000 -0.081 0.000 1.410 125 I HN -0.556 7.612 8.210 -0.070 0.000 0.523 126 A N 8.291 131.111 122.820 0.001 0.000 2.269 126 A HA 0.447 4.751 4.320 -0.026 0.000 0.327 126 A C -2.300 175.337 177.584 0.088 0.000 1.112 126 A CA -2.322 49.705 52.037 -0.017 0.000 0.865 126 A CB 0.144 19.056 19.000 -0.146 0.000 1.227 126 A HN -0.305 7.831 8.150 -0.023 0.000 0.498 127 P HA 0.188 3.894 4.420 -1.189 0.000 0.275 127 P C -2.494 174.502 177.300 -0.508 0.000 1.266 127 P CA -1.767 60.978 63.100 -0.591 0.000 0.793 127 P CB -0.860 30.456 31.700 -0.641 0.000 1.074 128 P HA -0.260 3.994 4.420 -0.275 0.000 0.242 128 P C -1.307 175.827 177.300 -0.278 0.000 1.116 128 P CA 1.038 63.930 63.100 -0.348 0.000 0.954 128 P CB -1.145 30.392 31.700 -0.271 0.000 0.908 129 N N 0.910 119.450 118.700 -0.267 0.000 5.558 129 N HA -0.426 4.131 4.740 -0.305 0.000 0.377 129 N C 0.030 175.289 175.510 -0.418 0.000 1.295 129 N CA 0.822 53.674 53.050 -0.331 0.000 2.509 129 N CB 0.877 39.161 38.487 -0.339 0.000 0.579 129 N HN -0.398 7.843 8.380 -0.232 0.000 0.690 130 G N -0.977 107.463 108.800 -0.600 0.000 2.460 130 G HA2 -0.252 2.950 3.960 -1.263 0.000 0.207 130 G HA3 -0.252 3.696 3.960 -0.407 -0.232 0.207 130 G C -2.189 172.484 174.900 -0.378 0.000 1.170 130 G CA -0.320 44.397 45.100 -0.638 0.000 1.151 130 G HN -0.023 7.892 8.290 -0.625 0.000 0.575 131 E N -0.099 119.965 120.200 -0.226 0.000 2.442 131 E HA 0.347 4.598 4.350 -0.166 0.000 0.261 131 E C -1.972 174.520 176.600 -0.180 0.000 0.935 131 E CA -1.448 54.858 56.400 -0.157 0.000 0.856 131 E CB 3.492 33.167 29.700 -0.042 0.000 1.571 131 E HN 0.366 8.500 8.360 -0.215 0.097 0.431 132 S N -3.015 112.599 115.700 -0.145 0.000 2.638 132 S HA 0.306 4.666 4.470 -0.183 0.000 0.274 132 S C 0.084 174.604 174.600 -0.133 0.000 1.157 132 S CA -1.091 57.012 58.200 -0.162 0.000 0.826 132 S CB 2.916 66.008 63.200 -0.180 0.000 1.139 132 S HN -0.124 8.119 8.310 -0.111 0.000 0.474 133 L N 3.995 125.141 121.223 -0.129 0.000 1.978 133 L HA -0.293 4.031 4.340 -0.027 0.000 0.218 133 L C 1.817 178.616 176.870 -0.117 0.000 1.075 133 L CA 4.605 59.400 54.840 -0.075 0.000 0.767 133 L CB -0.203 41.862 42.059 0.010 0.000 0.890 133 L HN 0.706 8.857 8.230 -0.131 0.000 0.434 134 K N -1.527 118.701 120.400 -0.287 0.000 2.044 134 K HA -0.455 3.764 4.320 -0.168 0.000 0.210 134 K C 1.635 178.157 176.600 -0.131 0.000 1.049 134 K CA 3.559 59.688 56.287 -0.262 0.000 0.927 134 K CB -1.439 30.792 32.500 -0.449 0.000 0.713 134 K HN -0.742 7.237 8.250 -0.451 0.000 0.443 135 D N 0.011 120.336 120.400 -0.125 0.000 2.077 135 D HA -0.288 4.317 4.640 -0.058 0.000 0.193 135 D C 1.957 178.245 176.300 -0.018 0.000 0.989 135 D CA 3.530 57.491 54.000 -0.066 0.000 0.831 135 D CB -0.169 40.589 40.800 -0.070 0.000 0.979 135 D HN 0.026 8.224 8.370 -0.166 0.072 0.449 136 T N -0.086 114.462 114.554 -0.010 0.000 2.653 136 T HA -0.509 3.878 4.350 0.063 0.000 0.268 136 T C 2.137 176.849 174.700 0.021 0.000 1.035 136 T CA 3.832 65.950 62.100 0.029 0.000 1.154 136 T CB -0.218 68.669 68.868 0.031 0.000 0.862 136 T HN 0.371 8.478 8.240 -0.036 0.111 0.441 137 A N 1.499 124.319 122.820 -0.000 0.000 1.858 137 A HA -0.388 3.932 4.320 0.001 0.000 0.216 137 A C 1.784 179.372 177.584 0.006 0.000 1.190 137 A CA 3.081 55.117 52.037 -0.001 0.000 0.617 137 A CB -0.824 18.175 19.000 -0.002 0.000 0.827 137 A HN 0.738 8.758 8.150 -0.018 0.120 0.443 138 E N -2.438 117.761 120.200 -0.002 0.000 2.267 138 E HA -0.336 4.019 4.350 0.009 0.000 0.197 138 E C 1.693 178.310 176.600 0.029 0.000 0.998 138 E CA 2.819 59.223 56.400 0.007 0.000 0.830 138 E CB 0.255 29.950 29.700 -0.009 0.000 0.751 138 E HN 0.497 8.654 8.360 -0.019 0.192 0.491 139 R N -5.831 114.692 120.500 0.039 0.000 2.335 139 R HA 0.194 4.573 4.340 0.065 0.000 0.210 139 R C 1.684 178.026 176.300 0.070 0.000 0.892 139 R CA 1.105 57.242 56.100 0.062 0.000 1.048 139 R CB 0.072 30.420 30.300 0.080 0.000 1.067 139 R HN -0.089 8.023 8.270 0.031 0.177 0.524 140 V N -0.014 119.933 119.914 0.055 0.000 3.125 140 V HA -0.000 4.150 4.120 0.050 0.000 0.249 140 V C 0.658 176.809 176.094 0.095 0.000 1.113 140 V CA 1.326 63.659 62.300 0.056 0.000 1.106 140 V CB 0.461 32.301 31.823 0.027 0.000 0.768 140 V HN 0.120 8.114 8.190 0.041 0.221 0.468 141 L N 0.250 121.513 121.223 0.067 0.000 2.056 141 L HA -0.136 4.245 4.340 0.070 0.000 0.207 141 L C -1.204 175.749 176.870 0.138 0.000 1.078 141 L CA 5.883 60.769 54.840 0.077 0.000 0.749 141 L CB -3.243 38.827 42.059 0.018 0.000 0.901 141 L HN 0.905 9.043 8.230 0.044 0.118 0.433 142 P HA -0.285 4.172 4.420 0.062 0.000 0.215 142 P C 1.293 178.646 177.300 0.088 0.000 1.157 142 P CA 3.350 66.501 63.100 0.085 0.000 0.874 142 P CB -0.565 31.180 31.700 0.074 0.000 0.790 143 Y N -2.630 117.672 120.300 0.003 0.000 2.128 143 Y HA -0.447 4.076 4.550 -0.046 0.000 0.284 143 Y C 1.957 177.803 175.900 -0.091 0.000 1.154 143 Y CA 4.037 62.108 58.100 -0.049 0.000 1.149 143 Y CB -0.017 38.400 38.460 -0.072 0.000 0.976 143 Y HN -0.486 7.940 8.280 0.244 0.000 0.505 144 Y N -0.621 119.703 120.300 0.040 0.000 2.036 144 Y HA -0.654 3.817 4.550 -0.131 0.000 0.273 144 Y C 1.490 177.342 175.900 -0.080 0.000 1.135 144 Y CA 4.267 62.330 58.100 -0.060 0.000 1.106 144 Y CB 0.233 38.671 38.460 -0.037 0.000 0.976 144 Y HN -0.512 7.886 8.280 0.313 0.070 0.483 145 K N -2.635 117.894 120.400 0.214 0.000 1.977 145 K HA -0.553 3.833 4.320 0.110 0.000 0.218 145 K C 2.597 179.164 176.600 -0.055 0.000 1.051 145 K CA 3.187 59.527 56.287 0.088 0.000 0.953 145 K CB -0.598 31.961 32.500 0.098 0.000 0.727 145 K HN 0.611 8.931 8.250 0.304 0.111 0.445 146 S N -0.567 115.097 115.700 -0.061 0.000 2.392 146 S HA -0.260 4.163 4.470 -0.078 0.000 0.225 146 S C 1.695 176.190 174.600 -0.175 0.000 1.041 146 S CA 2.951 61.084 58.200 -0.112 0.000 1.100 146 S CB 0.110 63.234 63.200 -0.125 0.000 1.029 146 S HN 0.253 8.459 8.310 -0.018 0.092 0.424 147 T N -1.956 112.421 114.554 -0.296 0.000 3.105 147 T HA 0.097 4.350 4.350 -0.162 0.000 0.253 147 T C -0.200 174.418 174.700 -0.137 0.000 1.047 147 T CA 0.595 62.529 62.100 -0.277 0.000 0.944 147 T CB 0.261 68.793 68.868 -0.560 0.000 1.016 147 T HN 0.142 8.054 8.240 -0.367 0.109 0.544 148 I N -0.459 119.947 120.570 -0.273 0.000 4.338 148 I HA 0.116 4.320 4.170 0.057 0.000 0.329 148 I C -0.018 175.701 176.117 -0.664 0.000 1.378 148 I CA 0.393 61.457 61.300 -0.392 0.000 1.170 148 I CB 0.983 38.532 38.000 -0.752 0.000 1.206 148 I HN 0.214 8.122 8.210 -0.290 0.129 0.432 149 V N 2.205 121.875 119.914 -0.405 0.000 3.235 149 V HA -0.011 3.910 4.120 -0.331 0.000 0.259 149 V C -1.530 174.415 176.094 -0.249 0.000 1.133 149 V CA 3.640 65.767 62.300 -0.289 0.000 1.128 149 V CB -0.452 31.303 31.823 -0.113 0.000 0.757 149 V HN -0.232 7.787 8.190 -0.285 0.000 0.469 150 P HA -0.086 4.285 4.420 -0.081 0.000 0.213 150 P C 1.179 178.415 177.300 -0.107 0.000 1.176 150 P CA 2.337 65.368 63.100 -0.116 0.000 0.894 150 P CB -0.589 31.087 31.700 -0.039 0.000 0.771 151 H N -2.025 117.048 119.070 0.006 0.000 2.352 151 H HA -0.236 4.325 4.556 0.009 0.000 0.299 151 H C 1.900 177.238 175.328 0.017 0.000 1.097 151 H CA 2.661 58.718 56.048 0.015 0.000 1.311 151 H CB -1.069 28.710 29.762 0.029 0.000 1.377 151 H HN 0.197 8.431 8.280 -0.078 0.000 0.504 152 I N -5.254 115.056 120.570 -0.433 0.000 2.502 152 I HA -0.270 3.960 4.170 0.100 0.000 0.258 152 I C -0.241 175.853 176.117 -0.038 0.000 1.172 152 I CA 2.338 63.559 61.300 -0.131 0.000 1.430 152 I CB -0.338 37.521 38.000 -0.236 0.000 1.086 152 I HN -0.547 6.921 8.210 -1.236 0.000 0.440 153 L N -3.414 117.774 121.223 -0.059 0.000 2.667 153 L HA 0.135 4.475 4.340 -0.000 0.000 0.232 153 L C 0.709 177.583 176.870 0.006 0.000 1.138 153 L CA -0.135 54.695 54.840 -0.016 0.000 0.921 153 L CB -0.620 41.423 42.059 -0.026 0.000 1.180 153 L HN -0.428 7.557 8.230 -0.112 0.178 0.487 154 K N 0.027 120.442 120.400 0.025 0.000 2.262 154 K HA 0.104 4.438 4.320 0.022 0.000 0.200 154 K C 0.613 177.234 176.600 0.034 0.000 1.058 154 K CA 0.239 56.546 56.287 0.033 0.000 0.974 154 K CB 2.500 35.030 32.500 0.051 0.000 0.910 154 K HN 0.439 8.502 8.250 0.035 0.208 0.484 155 G N -1.193 107.635 108.800 0.046 0.000 2.467 155 G HA2 -0.158 3.821 3.960 0.031 0.000 0.226 155 G HA3 -0.158 3.882 3.960 0.022 -0.066 0.226 155 G C -1.682 173.237 174.900 0.033 0.000 1.162 155 G CA -0.211 44.909 45.100 0.033 0.000 0.838 155 G HN -0.454 7.875 8.290 0.066 0.000 0.498 156 E N -1.056 119.182 120.200 0.063 0.000 2.416 156 E HA 0.565 5.025 4.350 0.008 -0.105 0.273 156 E C -1.827 174.819 176.600 0.077 0.000 0.935 156 E CA -1.552 54.877 56.400 0.050 0.000 0.784 156 E CB 5.296 35.025 29.700 0.049 0.000 1.301 156 E HN -0.587 7.829 8.360 0.093 0.000 0.454 157 K N -0.528 119.894 120.400 0.036 0.000 2.166 157 K HA 0.737 5.228 4.320 0.122 -0.097 0.245 157 K C -0.993 175.701 176.600 0.157 0.000 0.967 157 K CA -2.188 54.147 56.287 0.080 0.000 0.863 157 K CB 2.386 34.873 32.500 -0.022 0.000 1.107 157 K HN 0.905 9.641 8.250 -0.007 -0.489 0.436 158 V N -2.013 118.067 119.914 0.277 0.000 3.040 158 V HA 0.516 4.922 4.120 0.201 -0.166 0.312 158 V C -2.234 174.159 176.094 0.498 0.000 1.115 158 V CA -1.897 60.584 62.300 0.302 0.000 0.998 158 V CB 4.220 36.212 31.823 0.283 0.000 1.042 158 V HN 0.835 9.098 8.190 0.292 0.103 0.433 159 L N 3.532 124.921 121.223 0.276 0.000 2.325 159 L HA 0.951 5.755 4.340 0.448 -0.196 0.278 159 L C -1.580 175.364 176.870 0.123 0.000 1.023 159 L CA -2.042 52.859 54.840 0.102 0.000 0.811 159 L CB 2.811 44.419 42.059 -0.751 0.000 1.249 159 L HN 0.704 8.831 8.230 0.036 0.124 0.431 160 I N 4.357 125.023 120.570 0.161 0.000 2.533 160 I HA 0.733 5.251 4.170 0.230 -0.210 0.290 160 I C -2.354 173.810 176.117 0.080 0.000 1.056 160 I CA -1.342 60.063 61.300 0.175 0.000 1.057 160 I CB 3.740 41.869 38.000 0.216 0.000 1.240 160 I HN 1.172 9.389 8.210 0.170 0.094 0.423 161 A N 5.724 128.570 122.820 0.043 0.000 2.499 161 A HA 0.564 4.974 4.320 -0.005 -0.094 0.280 161 A C -2.675 174.863 177.584 -0.077 0.000 1.135 161 A CA -0.474 51.555 52.037 -0.014 0.000 0.744 161 A CB 2.355 21.336 19.000 -0.032 0.000 1.213 161 A HN 0.959 9.055 8.150 0.071 0.096 0.434 162 A N 4.820 127.562 122.820 -0.130 0.000 1.877 162 A HA 0.255 4.304 4.320 -0.451 0.000 0.177 162 A C -1.966 175.180 177.584 -0.730 0.000 1.684 162 A CA 0.055 51.890 52.037 -0.336 0.000 1.774 162 A CB 1.292 20.263 19.000 -0.048 0.000 1.732 162 A HN 0.222 8.329 8.150 -0.073 0.000 0.909 163 H N -3.236 115.912 119.070 0.130 0.000 3.014 163 H HA 0.222 4.902 4.556 0.207 0.000 0.337 163 H C 0.814 176.219 175.328 0.128 0.000 1.320 163 H CA -1.389 54.765 56.048 0.176 0.000 1.128 163 H CB 2.867 32.752 29.762 0.206 0.000 1.862 163 H HN -0.515 7.821 8.280 0.093 0.000 0.536 164 G N 1.874 110.835 108.800 0.269 0.000 2.505 164 G HA2 -0.538 3.506 3.960 0.139 0.000 0.220 164 G HA3 -0.538 3.545 3.960 0.204 0.000 0.220 164 G C 0.934 175.939 174.900 0.174 0.000 1.145 164 G CA 2.663 47.878 45.100 0.192 0.000 0.761 164 G HN 0.729 9.206 8.290 0.312 0.000 0.571 165 N N 0.669 119.495 118.700 0.210 0.000 2.080 165 N HA -0.344 4.471 4.740 0.125 0.000 0.189 165 N C 1.922 177.502 175.510 0.118 0.000 1.036 165 N CA 3.529 56.668 53.050 0.148 0.000 0.846 165 N CB 0.087 38.654 38.487 0.132 0.000 1.015 165 N HN -0.563 8.163 8.380 0.273 -0.182 0.423 166 S N 1.080 116.874 115.700 0.156 0.000 2.359 166 S HA -0.406 4.115 4.470 0.085 0.000 0.223 166 S C 2.068 176.707 174.600 0.064 0.000 1.039 166 S CA 4.084 62.354 58.200 0.116 0.000 1.042 166 S CB -0.064 63.240 63.200 0.173 0.000 0.915 166 S HN -0.413 8.034 8.310 0.228 0.000 0.439 167 L N -0.210 121.056 121.223 0.071 0.000 2.141 167 L HA -0.320 4.017 4.340 -0.006 0.000 0.209 167 L C 1.888 178.752 176.870 -0.010 0.000 1.094 167 L CA 3.507 58.358 54.840 0.019 0.000 0.763 167 L CB -0.472 41.607 42.059 0.034 0.000 0.908 167 L HN 0.782 8.963 8.230 0.111 0.116 0.437 168 R N -0.478 120.042 120.500 0.033 0.000 2.082 168 R HA -0.512 3.833 4.340 0.007 0.000 0.234 168 R C 2.468 178.772 176.300 0.006 0.000 1.136 168 R CA 4.030 60.146 56.100 0.026 0.000 0.935 168 R CB -0.373 29.968 30.300 0.068 0.000 0.842 168 R HN 0.446 8.529 8.270 0.070 0.228 0.430 169 A N 0.143 122.976 122.820 0.021 0.000 1.877 169 A HA -0.215 4.128 4.320 0.038 0.000 0.216 169 A C 2.103 179.657 177.584 -0.050 0.000 1.186 169 A CA 3.209 55.251 52.037 0.009 0.000 0.620 169 A CB -0.826 18.183 19.000 0.015 0.000 0.822 169 A HN 0.615 8.675 8.150 0.038 0.112 0.443 170 L N -0.247 120.936 121.223 -0.067 0.000 1.944 170 L HA -0.319 3.911 4.340 -0.184 0.000 0.218 170 L C 1.808 178.550 176.870 -0.212 0.000 1.075 170 L CA 3.298 58.051 54.840 -0.144 0.000 0.767 170 L CB -0.720 41.287 42.059 -0.087 0.000 0.890 170 L HN 0.503 8.594 8.230 -0.029 0.122 0.434 171 I N -0.280 120.166 120.570 -0.207 0.000 2.248 171 I HA -0.521 3.429 4.170 -0.366 0.000 0.248 171 I C 1.918 177.912 176.117 -0.206 0.000 1.107 171 I CA 3.159 64.283 61.300 -0.292 0.000 1.373 171 I CB -0.936 36.848 38.000 -0.360 0.000 1.055 171 I HN 0.604 8.589 8.210 -0.160 0.129 0.418 172 M N 1.594 121.117 119.600 -0.128 0.000 2.110 172 M HA -0.463 3.962 4.480 -0.091 0.000 0.257 172 M C 1.323 177.570 176.300 -0.087 0.000 1.071 172 M CA 3.801 59.052 55.300 -0.082 0.000 1.096 172 M CB -0.930 31.666 32.600 -0.007 0.000 1.300 172 M HN 0.516 8.549 8.290 -0.105 0.193 0.411 173 D N -2.168 118.170 120.400 -0.104 0.000 2.183 173 D HA -0.178 4.425 4.640 -0.062 0.000 0.203 173 D C 1.994 178.206 176.300 -0.147 0.000 0.969 173 D CA 3.069 57.003 54.000 -0.111 0.000 0.842 173 D CB 0.600 41.319 40.800 -0.135 0.000 0.957 173 D HN -0.117 8.186 8.370 -0.112 0.000 0.484 174 L N -1.319 119.772 121.223 -0.221 0.000 2.079 174 L HA -0.320 3.885 4.340 -0.226 0.000 0.210 174 L C 1.251 178.103 176.870 -0.029 0.000 1.081 174 L CA 2.739 57.464 54.840 -0.192 0.000 0.752 174 L CB 0.139 42.050 42.059 -0.248 0.000 0.896 174 L HN 0.240 8.132 8.230 -0.246 0.190 0.433 175 E N -3.714 116.445 120.200 -0.068 0.000 2.201 175 E HA -0.075 4.397 4.350 0.202 0.000 0.193 175 E C 0.232 176.855 176.600 0.038 0.000 0.957 175 E CA 0.503 56.887 56.400 -0.027 0.000 0.858 175 E CB 1.980 31.501 29.700 -0.299 0.000 0.816 175 E HN 0.481 8.637 8.360 -0.132 0.125 0.475 176 G N -1.525 107.263 108.800 -0.020 0.000 2.270 176 G HA2 -0.276 3.672 3.960 -0.011 0.000 0.224 176 G HA3 -0.276 3.704 3.960 0.034 0.000 0.224 176 G C -0.145 174.740 174.900 -0.025 0.000 1.079 176 G CA 0.021 45.119 45.100 -0.002 0.000 0.807 176 G HN 0.070 8.142 8.290 -0.060 0.182 0.492 177 L N -0.596 120.589 121.223 -0.064 0.000 2.543 177 L HA 0.266 4.560 4.340 -0.077 0.000 0.231 177 L C -0.385 176.407 176.870 -0.130 0.000 1.194 177 L CA -0.051 54.733 54.840 -0.094 0.000 0.823 177 L CB 0.276 42.266 42.059 -0.114 0.000 1.374 177 L HN 0.060 8.246 8.230 -0.073 0.000 0.507 178 T N -2.106 112.326 114.554 -0.204 0.000 2.797 178 T HA 0.193 4.368 4.350 -0.292 0.000 0.267 178 T C 0.337 174.608 174.700 -0.716 0.000 0.986 178 T CA -1.438 60.458 62.100 -0.339 0.000 0.999 178 T CB 1.036 69.763 68.868 -0.235 0.000 1.508 178 T HN -0.354 7.778 8.240 -0.181 0.000 0.595 179 G N -0.754 107.440 108.800 -1.009 0.000 2.411 179 G HA2 0.028 2.495 3.960 -2.489 0.000 0.213 179 G HA3 0.028 3.177 3.960 -1.351 0.000 0.213 179 G C 0.066 174.683 174.900 -0.471 0.000 1.166 179 G CA 1.175 45.403 45.100 -1.454 0.000 0.802 179 G HN 0.127 8.018 8.290 -0.664 0.000 0.533 180 D N -1.540 118.693 120.400 -0.278 0.000 2.370 180 D HA 0.181 4.759 4.640 -0.103 0.000 0.230 180 D C -0.441 175.787 176.300 -0.121 0.000 1.143 180 D CA 0.937 54.855 54.000 -0.138 0.000 0.834 180 D CB -0.313 40.433 40.800 -0.089 0.000 0.944 180 D HN -0.173 8.024 8.370 -0.288 0.000 0.504 181 Q N -2.143 117.562 119.800 -0.159 0.000 2.023 181 Q HA 0.091 4.383 4.340 -0.080 0.000 0.211 181 Q C -1.025 174.911 176.000 -0.107 0.000 0.787 181 Q CA -0.162 55.573 55.803 -0.113 0.000 1.035 181 Q CB 1.528 30.201 28.738 -0.109 0.000 1.221 181 Q HN -0.376 7.647 8.270 -0.236 0.105 0.443 182 I N -1.849 118.654 120.570 -0.112 0.000 4.219 182 I HA 0.194 4.327 4.170 -0.061 0.000 0.329 182 I C -1.085 175.021 176.117 -0.019 0.000 1.427 182 I CA -0.949 60.308 61.300 -0.071 0.000 1.151 182 I CB 1.988 39.936 38.000 -0.087 0.000 1.369 182 I HN -0.552 7.579 8.210 -0.132 0.000 0.521 183 V N -3.642 116.263 119.914 -0.015 0.000 3.499 183 V HA 0.191 4.338 4.120 0.044 0.000 0.308 183 V C -0.705 175.404 176.094 0.024 0.000 1.319 183 V CA 0.915 63.227 62.300 0.021 0.000 1.194 183 V CB -0.749 31.087 31.823 0.022 0.000 1.072 183 V HN -0.311 7.856 8.190 -0.039 0.000 0.426 184 K N -1.983 118.426 120.400 0.014 0.000 2.403 184 K HA 0.064 4.399 4.320 0.026 0.000 0.199 184 K C 0.226 176.843 176.600 0.028 0.000 1.199 184 K CA -0.630 55.668 56.287 0.019 0.000 0.924 184 K CB -0.431 32.073 32.500 0.006 0.000 1.137 184 K HN -0.540 7.607 8.250 0.002 0.104 0.510 185 R N 2.764 123.279 120.500 0.024 0.000 2.740 185 R HA -0.187 4.179 4.340 0.043 0.000 0.263 185 R C -0.766 175.568 176.300 0.057 0.000 0.997 185 R CA 1.403 57.526 56.100 0.039 0.000 1.108 185 R CB -0.009 30.307 30.300 0.026 0.000 0.969 185 R HN -0.418 7.858 8.270 0.011 0.000 0.431 186 E N -0.136 120.107 120.200 0.071 0.000 2.331 186 E HA 0.129 4.528 4.350 0.082 0.000 0.263 186 E C -2.378 174.272 176.600 0.083 0.000 1.224 186 E CA -0.441 56.005 56.400 0.076 0.000 0.898 186 E CB 3.214 32.953 29.700 0.066 0.000 1.591 186 E HN 0.203 8.612 8.360 0.081 0.000 0.463 187 L N -5.417 115.849 121.223 0.071 0.000 2.838 187 L HA 0.541 4.919 4.340 0.063 0.000 0.266 187 L C -1.946 174.947 176.870 0.039 0.000 1.040 187 L CA -0.568 54.309 54.840 0.063 0.000 0.906 187 L CB 1.970 44.076 42.059 0.078 0.000 1.501 187 L HN 0.004 8.274 8.230 0.067 0.000 0.407 188 A N -0.460 122.377 122.820 0.027 0.000 2.305 188 A HA 0.427 4.754 4.320 0.012 0.000 0.322 188 A C -0.116 177.466 177.584 -0.002 0.000 1.187 188 A CA -1.172 50.872 52.037 0.012 0.000 0.825 188 A CB 0.969 19.975 19.000 0.010 0.000 1.164 188 A HN 0.245 8.414 8.150 0.031 0.000 0.498 189 T N 0.574 115.118 114.554 -0.016 0.000 2.799 189 T HA -0.258 4.050 4.350 -0.070 0.000 0.296 189 T C 0.515 175.208 174.700 -0.013 0.000 0.947 189 T CA 0.770 62.845 62.100 -0.040 0.000 1.141 189 T CB 0.119 68.957 68.868 -0.050 0.000 0.891 189 T HN 0.355 8.590 8.240 -0.009 0.000 0.533 190 G N 5.947 114.742 108.800 -0.009 0.000 2.284 190 G HA2 -0.245 3.790 3.960 0.016 0.000 0.216 190 G HA3 -0.245 3.997 3.960 0.013 -0.275 0.216 190 G C -1.882 173.027 174.900 0.014 0.000 1.009 190 G CA -0.055 45.050 45.100 0.010 0.000 0.625 190 G HN 0.067 8.344 8.290 -0.022 0.000 0.501 191 V N -1.816 118.104 119.914 0.010 0.000 2.407 191 V HA 0.491 4.619 4.120 0.014 0.000 0.278 191 V C -2.789 173.314 176.094 0.016 0.000 1.037 191 V CA -3.760 58.547 62.300 0.012 0.000 0.900 191 V CB 1.018 32.846 31.823 0.007 0.000 0.983 191 V HN -0.925 7.188 8.190 0.005 0.080 0.459 192 P HA 0.310 4.954 4.420 0.046 -0.197 0.287 192 P C -1.192 176.101 177.300 -0.010 0.000 1.307 192 P CA -1.111 62.004 63.100 0.024 0.000 0.777 192 P CB 0.502 32.228 31.700 0.042 0.000 0.883 193 I N 4.740 125.327 120.570 0.029 0.000 2.713 193 I HA 0.595 4.977 4.170 -0.031 -0.231 0.300 193 I C -0.592 175.535 176.117 0.017 0.000 1.009 193 I CA -2.234 59.080 61.300 0.023 0.000 1.305 193 I CB 3.011 41.076 38.000 0.108 0.000 1.430 193 I HN 0.825 8.979 8.210 0.065 0.096 0.546 194 V N 4.924 124.812 119.914 -0.043 0.000 2.482 194 V HA 0.347 4.634 4.120 0.046 -0.139 0.295 194 V C -2.281 173.825 176.094 0.019 0.000 1.026 194 V CA -2.294 59.994 62.300 -0.020 0.000 0.856 194 V CB 1.993 33.729 31.823 -0.145 0.000 1.001 194 V HN -0.088 8.128 8.190 -0.097 -0.083 0.424 195 Y N 9.383 129.751 120.300 0.112 0.000 2.369 195 Y HA 0.229 5.040 4.550 0.171 -0.158 0.337 195 Y C -1.071 174.943 175.900 0.190 0.000 0.961 195 Y CA -1.603 56.595 58.100 0.163 0.000 1.186 195 Y CB 1.443 39.999 38.460 0.161 0.000 1.139 195 Y HN 1.333 9.720 8.280 0.377 0.119 0.494 196 H N 7.376 126.576 119.070 0.218 0.000 3.089 196 H HA 0.010 4.673 4.556 0.179 0.000 0.262 196 H C -1.342 174.105 175.328 0.200 0.000 1.160 196 H CA 1.051 57.206 56.048 0.178 0.000 1.482 196 H CB -0.218 29.605 29.762 0.102 0.000 1.511 196 H HN 0.330 8.796 8.280 0.311 0.000 0.483 197 L N 5.843 127.192 121.223 0.210 0.000 2.375 197 L HA 0.378 4.965 4.340 0.247 -0.099 0.268 197 L C -0.464 176.499 176.870 0.155 0.000 1.058 197 L CA -0.501 54.466 54.840 0.212 0.000 0.803 197 L CB 2.638 44.827 42.059 0.218 0.000 1.212 197 L HN 0.509 8.797 8.230 0.097 0.000 0.451 198 D N 0.087 120.564 120.400 0.129 0.000 2.506 198 D HA 0.126 4.831 4.640 0.109 0.000 0.272 198 D C 1.328 177.676 176.300 0.080 0.000 1.214 198 D CA -0.956 53.101 54.000 0.094 0.000 1.067 198 D CB 0.855 41.689 40.800 0.056 0.000 1.117 198 D HN 0.730 9.118 8.370 0.129 0.059 0.578 199 K N -3.792 116.644 120.400 0.059 0.000 2.515 199 K HA -0.278 4.070 4.320 0.047 0.000 0.196 199 K C -0.558 176.070 176.600 0.048 0.000 1.038 199 K CA 1.990 58.305 56.287 0.047 0.000 0.967 199 K CB -1.053 31.468 32.500 0.035 0.000 0.780 199 K HN 0.309 8.591 8.250 0.054 0.000 0.483 200 D N -0.091 120.344 120.400 0.058 0.000 2.463 200 D HA 0.028 4.699 4.640 0.053 0.000 0.224 200 D C -0.129 176.229 176.300 0.097 0.000 1.174 200 D CA -0.673 53.365 54.000 0.062 0.000 0.829 200 D CB 1.093 41.923 40.800 0.050 0.000 0.993 200 D HN -0.745 7.766 8.370 0.060 -0.104 0.497 201 G N 0.436 109.310 108.800 0.123 0.000 2.350 201 G HA2 -0.439 3.652 3.960 0.218 0.000 0.298 201 G HA3 -0.439 3.677 3.960 0.259 0.000 0.298 201 G C -2.072 172.933 174.900 0.176 0.000 1.037 201 G CA 0.984 46.203 45.100 0.199 0.000 1.074 201 G HN -0.384 7.887 8.290 0.103 0.081 0.511 202 K N -1.405 119.089 120.400 0.157 0.000 2.501 202 K HA 0.752 5.408 4.320 0.195 -0.218 0.252 202 K C -0.731 175.992 176.600 0.206 0.000 0.934 202 K CA -2.873 53.518 56.287 0.175 0.000 0.797 202 K CB 3.742 36.314 32.500 0.119 0.000 1.270 202 K HN -0.794 7.723 8.250 0.141 -0.182 0.431 203 Y N 4.975 125.358 120.300 0.138 0.000 2.788 203 Y HA -0.147 4.699 4.550 0.255 -0.143 0.341 203 Y C -0.334 175.662 175.900 0.161 0.000 1.258 203 Y CA 0.056 58.278 58.100 0.204 0.000 1.503 203 Y CB 0.190 38.805 38.460 0.259 0.000 1.325 203 Y HN -0.102 8.495 8.280 0.527 0.000 0.614 204 V N -3.449 116.426 119.914 -0.065 0.000 3.415 204 V HA 0.241 4.083 4.120 -0.464 0.000 0.315 204 V C -1.143 174.891 176.094 -0.100 0.000 1.516 204 V CA -0.157 62.024 62.300 -0.199 0.000 1.122 204 V CB 1.967 33.777 31.823 -0.022 0.000 0.988 204 V HN 0.937 9.174 8.190 0.214 0.082 0.474 205 S N 1.198 116.932 115.700 0.057 0.000 5.452 205 S HA 0.043 4.513 4.470 0.001 0.000 0.133 205 S C -1.383 173.310 174.600 0.156 0.000 1.088 205 S CA 0.348 58.583 58.200 0.057 0.000 1.304 205 S CB 1.565 64.754 63.200 -0.019 0.000 2.087 205 S HN 0.069 8.502 8.310 0.206 0.000 0.718 206 K N -2.578 117.882 120.400 0.101 0.000 3.255 206 K HA 0.222 4.551 4.320 0.015 0.000 0.324 206 K C -2.914 173.483 176.600 -0.337 0.000 1.085 206 K CA -0.466 55.791 56.287 -0.049 0.000 0.804 206 K CB 1.023 33.506 32.500 -0.028 0.000 1.480 206 K HN -0.311 7.998 8.250 0.097 0.000 0.406 207 E N -0.440 119.424 120.200 -0.561 0.000 2.248 207 E HA 0.607 4.808 4.350 -0.721 -0.284 0.272 207 E C -1.159 175.287 176.600 -0.258 0.000 1.008 207 E CA -1.269 54.743 56.400 -0.646 0.000 0.856 207 E CB 1.178 30.410 29.700 -0.780 0.000 1.120 207 E HN 0.076 8.182 8.360 -0.424 0.000 0.397 208 L N 1.365 122.482 121.223 -0.178 0.000 2.622 208 L HA 0.150 4.440 4.340 -0.083 0.000 0.258 208 L C -2.118 174.705 176.870 -0.079 0.000 0.996 208 L CA -0.063 54.719 54.840 -0.097 0.000 0.858 208 L CB 3.722 45.740 42.059 -0.069 0.000 1.449 208 L HN -0.156 8.042 8.230 -0.194 -0.085 0.411 209 I N -0.371 120.167 120.570 -0.054 0.000 2.863 209 I HA 0.381 4.708 4.170 -0.060 -0.193 0.311 209 I C 0.028 176.121 176.117 -0.039 0.000 1.026 209 I CA -2.637 58.636 61.300 -0.046 0.000 1.077 209 I CB 2.151 40.137 38.000 -0.024 0.000 1.262 209 I HN 0.073 8.256 8.210 -0.044 0.000 0.461 210 D N 1.230 121.608 120.400 -0.036 0.000 2.259 210 D HA -0.085 4.546 4.640 -0.015 0.000 0.216 210 D C -0.361 175.937 176.300 -0.003 0.000 0.961 210 D CA 1.521 55.510 54.000 -0.017 0.000 0.878 210 D CB 0.258 41.051 40.800 -0.013 0.000 1.009 210 D HN 0.581 8.928 8.370 -0.038 0.000 0.490 211 N N 0.000 118.699 118.700 -0.001 0.000 1.763 211 N HA 0.000 4.745 4.740 0.009 0.000 0.220 211 N CA 0.000 53.053 53.050 0.004 0.000 0.885 211 N CB 0.000 38.490 38.487 0.005 0.000 1.341 211 N HN 0.000 8.378 8.380 -0.004 0.000 0.667