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 2i94_1_A DATA FIRST_RESID 8 DATA SEQUENCE ALSKEILEEL QLNTKFTEEE LSSWYQSFLK ECPSGRITRQ EFQTIYSKFF DATA SEQUENCE PEADPKAYAQ HVFRSFDANS DGTLDFKEYV IALHMTSAGK TNQKLEWAFS DATA SEQUENCE LYDVDGNGTI SKNEVLEIVT AIFKMISPED TKHLPEDENT PEKRAEKIWG DATA SEQUENCE FFGKKDDDKL TEKEFIEGTL ANKEILRLIQ FE 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 8 A HA 0.000 4.343 4.320 0.038 0.000 0.244 8 A C 0.000 177.563 177.584 -0.036 0.000 1.274 8 A CA 0.000 52.046 52.037 0.015 0.000 0.836 8 A CB 0.000 19.023 19.000 0.038 0.000 0.831 9 L N 2.381 123.558 121.223 -0.077 0.000 1.925 9 L HA -0.287 3.946 4.340 -0.179 0.000 0.215 9 L C 1.458 178.280 176.870 -0.079 0.000 1.082 9 L CA 2.600 57.348 54.840 -0.153 0.000 0.764 9 L CB 0.468 42.355 42.059 -0.287 0.000 0.887 9 L HN 0.495 8.701 8.230 -0.040 0.000 0.432 10 S N -1.256 114.436 115.700 -0.014 0.000 2.414 10 S HA -0.582 3.860 4.470 -0.046 0.000 0.241 10 S C 1.810 176.386 174.600 -0.039 0.000 1.079 10 S CA 3.426 61.618 58.200 -0.013 0.000 1.087 10 S CB -0.272 62.957 63.200 0.048 0.000 0.927 10 S HN 0.446 8.782 8.310 0.043 0.000 0.456 11 K N 1.334 121.718 120.400 -0.026 0.000 2.020 11 K HA -0.380 3.924 4.320 -0.027 0.000 0.212 11 K C 2.299 178.869 176.600 -0.051 0.000 1.050 11 K CA 3.344 59.613 56.287 -0.031 0.000 0.929 11 K CB -0.614 31.875 32.500 -0.018 0.000 0.714 11 K HN 0.063 8.293 8.250 -0.010 0.014 0.443 12 E N -1.178 118.984 120.200 -0.063 0.000 2.031 12 E HA -0.264 4.050 4.350 -0.060 0.000 0.193 12 E C 2.612 179.155 176.600 -0.096 0.000 0.994 12 E CA 3.121 59.476 56.400 -0.075 0.000 0.800 12 E CB -0.388 29.260 29.700 -0.086 0.000 0.752 12 E HN -0.147 8.094 8.360 -0.063 0.081 0.447 13 I N -0.593 119.902 120.570 -0.125 0.000 2.208 13 I HA -0.473 3.594 4.170 -0.171 0.000 0.245 13 I C 2.405 178.441 176.117 -0.136 0.000 1.097 13 I CA 3.504 64.707 61.300 -0.161 0.000 1.363 13 I CB -0.244 37.628 38.000 -0.213 0.000 1.051 13 I HN -0.497 7.637 8.210 -0.127 0.000 0.413 14 L N -0.714 120.446 121.223 -0.105 0.000 2.081 14 L HA -0.403 3.875 4.340 -0.104 0.000 0.212 14 L C 2.084 178.903 176.870 -0.084 0.000 1.080 14 L CA 3.302 58.089 54.840 -0.090 0.000 0.754 14 L CB -0.571 41.451 42.059 -0.062 0.000 0.893 14 L HN 0.801 8.773 8.230 -0.092 0.203 0.433 15 E N -1.430 118.726 120.200 -0.074 0.000 2.118 15 E HA -0.376 3.942 4.350 -0.053 0.000 0.195 15 E C 1.329 177.886 176.600 -0.071 0.000 0.992 15 E CA 2.680 59.043 56.400 -0.062 0.000 0.804 15 E CB -0.247 29.421 29.700 -0.054 0.000 0.741 15 E HN -0.305 7.904 8.360 -0.074 0.107 0.458 16 E N -3.366 116.777 120.200 -0.094 0.000 2.267 16 E HA -0.206 4.094 4.350 -0.083 0.000 0.197 16 E C -0.093 176.443 176.600 -0.106 0.000 0.998 16 E CA 1.289 57.625 56.400 -0.106 0.000 0.830 16 E CB 0.275 29.883 29.700 -0.152 0.000 0.751 16 E HN -0.191 7.951 8.360 -0.105 0.155 0.491 17 L N -3.208 117.952 121.223 -0.105 0.000 7.272 17 L HA -0.550 3.778 4.340 -0.094 -0.044 0.167 17 L C 1.114 177.913 176.870 -0.118 0.000 1.192 17 L CA 1.456 56.238 54.840 -0.096 0.000 1.417 17 L CB -1.494 40.525 42.059 -0.066 0.000 2.687 17 L HN 0.191 8.217 8.230 -0.105 0.140 1.105 18 Q N 0.508 120.254 119.800 -0.090 0.000 2.293 18 Q HA -0.460 3.827 4.340 -0.088 0.000 0.218 18 Q C 2.264 178.198 176.000 -0.110 0.000 1.015 18 Q CA 2.912 58.665 55.803 -0.083 0.000 0.941 18 Q CB -0.295 28.419 28.738 -0.041 0.000 0.979 18 Q HN 0.302 8.529 8.270 -0.071 0.000 0.416 19 L N -6.536 114.615 121.223 -0.120 0.000 2.369 19 L HA -0.315 3.948 4.340 -0.129 0.000 0.220 19 L C 0.087 176.812 176.870 -0.242 0.000 1.119 19 L CA 2.005 56.744 54.840 -0.169 0.000 0.780 19 L CB -0.056 41.887 42.059 -0.193 0.000 0.906 19 L HN -0.446 7.697 8.230 -0.100 0.027 0.442 20 N N -11.329 107.185 118.700 -0.310 0.000 2.706 20 N HA 0.102 4.202 4.740 -1.067 0.000 0.219 20 N C -0.321 174.905 175.510 -0.474 0.000 1.336 20 N CA -0.652 52.054 53.050 -0.573 0.000 1.663 20 N CB -0.169 38.052 38.487 -0.443 0.000 1.373 20 N HN -0.101 7.926 8.380 -0.245 0.206 0.619 21 T N 1.698 116.059 114.554 -0.323 0.000 2.649 21 T HA -0.458 3.788 4.350 -0.174 0.000 0.268 21 T C -0.025 174.558 174.700 -0.196 0.000 1.036 21 T CA 4.328 66.303 62.100 -0.207 0.000 1.157 21 T CB 0.466 69.252 68.868 -0.138 0.000 0.861 21 T HN -0.462 7.493 8.240 -0.275 0.120 0.445 22 K N -3.526 116.732 120.400 -0.236 0.000 1.158 22 K HA -0.348 3.948 4.320 -0.041 0.000 0.761 22 K C -0.355 176.284 176.600 0.064 0.000 1.935 22 K CA 0.092 56.332 56.287 -0.079 0.000 1.254 22 K CB -0.328 32.123 32.500 -0.083 0.000 2.305 22 K HN -0.226 7.834 8.250 -0.321 -0.002 0.429 23 F N -1.071 118.883 119.950 0.007 0.000 2.080 23 F HA -0.071 4.470 4.527 0.024 0.000 0.258 23 F C 0.001 175.814 175.800 0.021 0.000 1.131 23 F CA 0.674 58.692 58.000 0.030 0.000 1.242 23 F CB 0.641 39.679 39.000 0.064 0.000 1.701 23 F HN 0.137 8.629 8.300 0.319 0.000 0.494 24 T N -0.078 114.327 114.554 -0.248 0.000 2.640 24 T HA -0.219 3.998 4.350 -0.222 0.000 0.252 24 T C 1.065 175.792 174.700 0.045 0.000 1.038 24 T CA 1.108 63.133 62.100 -0.125 0.000 1.307 24 T CB -0.676 68.178 68.868 -0.023 0.000 1.014 24 T HN 0.023 7.791 8.240 -0.787 0.000 0.523 25 E N 6.283 126.479 120.200 -0.007 0.000 2.324 25 E HA -0.498 3.864 4.350 0.020 0.000 0.205 25 E C 1.573 178.210 176.600 0.061 0.000 1.031 25 E CA 3.087 59.495 56.400 0.014 0.000 0.836 25 E CB -1.340 28.342 29.700 -0.031 0.000 0.742 25 E HN 0.444 8.767 8.360 -0.062 0.000 0.491 26 E N -0.504 119.736 120.200 0.067 0.000 2.268 26 E HA -0.256 4.145 4.350 0.084 0.000 0.195 26 E C 1.934 178.626 176.600 0.154 0.000 0.995 26 E CA 2.151 58.608 56.400 0.094 0.000 0.836 26 E CB -1.274 28.470 29.700 0.074 0.000 0.763 26 E HN 0.226 8.548 8.360 0.040 0.062 0.491 27 E N -0.657 119.659 120.200 0.193 0.000 2.204 27 E HA -0.196 4.293 4.350 0.231 0.000 0.195 27 E C 2.042 178.848 176.600 0.343 0.000 0.990 27 E CA 2.498 59.056 56.400 0.264 0.000 0.821 27 E CB -0.209 29.684 29.700 0.321 0.000 0.750 27 E HN 0.885 9.169 8.360 0.179 0.183 0.477 28 L N -2.160 119.234 121.223 0.285 0.000 2.201 28 L HA -0.197 4.413 4.340 0.449 0.000 0.212 28 L C 2.111 179.226 176.870 0.409 0.000 1.105 28 L CA 2.505 57.538 54.840 0.322 0.000 0.775 28 L CB -0.699 41.416 42.059 0.093 0.000 0.913 28 L HN -0.334 7.872 8.230 0.204 0.147 0.440 29 S N -0.461 115.415 115.700 0.293 0.000 2.345 29 S HA -0.302 4.381 4.470 0.355 0.000 0.219 29 S C 1.871 176.653 174.600 0.304 0.000 1.031 29 S CA 3.802 62.181 58.200 0.298 0.000 0.984 29 S CB -0.384 62.932 63.200 0.194 0.000 0.874 29 S HN -0.416 7.883 8.310 0.227 0.148 0.451 30 S N 3.305 119.148 115.700 0.238 0.000 2.383 30 S HA -0.290 4.250 4.470 0.117 0.000 0.229 30 S C 1.730 176.446 174.600 0.194 0.000 1.030 30 S CA 4.010 62.311 58.200 0.168 0.000 1.002 30 S CB -0.165 63.115 63.200 0.133 0.000 0.829 30 S HN -0.646 7.797 8.310 0.223 0.000 0.467 31 W N 3.547 124.890 121.300 0.073 0.000 2.332 31 W HA -0.338 4.304 4.660 -0.031 0.000 0.321 31 W C 1.385 177.751 176.519 -0.255 0.000 1.219 31 W CA 2.229 59.566 57.345 -0.015 0.000 1.277 31 W CB -0.776 28.800 29.460 0.193 0.000 1.161 31 W HN -0.013 8.435 8.180 0.457 0.006 0.476 32 Y N 0.282 120.555 120.300 -0.045 0.000 2.030 32 Y HA -0.721 3.086 4.550 -1.239 0.000 0.272 32 Y C 1.815 177.672 175.900 -0.071 0.000 1.185 32 Y CA 3.985 61.873 58.100 -0.354 0.000 1.120 32 Y CB -0.734 37.797 38.460 0.118 0.000 0.955 32 Y HN 0.129 8.692 8.280 0.471 0.000 0.495 33 Q N -2.362 117.241 119.800 -0.328 0.000 2.152 33 Q HA -0.491 3.396 4.340 -0.754 0.000 0.206 33 Q C 2.555 178.372 176.000 -0.306 0.000 0.985 33 Q CA 3.822 59.365 55.803 -0.434 0.000 0.863 33 Q CB -0.349 28.288 28.738 -0.168 0.000 0.904 33 Q HN 0.040 8.322 8.270 0.019 0.000 0.422 34 S N 0.602 116.195 115.700 -0.177 0.000 2.345 34 S HA -0.219 4.149 4.470 -0.170 0.000 0.219 34 S C 1.819 176.306 174.600 -0.189 0.000 1.031 34 S CA 3.530 61.631 58.200 -0.166 0.000 0.984 34 S CB -0.420 62.690 63.200 -0.150 0.000 0.874 34 S HN -0.272 7.866 8.310 -0.100 0.112 0.451 35 F N 3.684 123.470 119.950 -0.273 0.000 2.216 35 F HA -0.258 4.137 4.527 -0.220 0.000 0.300 35 F C 1.084 176.738 175.800 -0.244 0.000 1.085 35 F CA 2.727 60.571 58.000 -0.260 0.000 1.326 35 F CB 0.169 38.973 39.000 -0.326 0.000 1.027 35 F HN 0.510 8.702 8.300 0.016 0.117 0.497 36 L N -0.135 120.755 121.223 -0.556 0.000 1.976 36 L HA -0.320 3.595 4.340 -0.708 0.000 0.209 36 L C 2.381 178.959 176.870 -0.486 0.000 1.071 36 L CA 3.192 57.669 54.840 -0.607 0.000 0.746 36 L CB -0.768 40.881 42.059 -0.684 0.000 0.890 36 L HN 0.790 8.667 8.230 -0.360 0.137 0.432 37 K N -1.535 118.640 120.400 -0.375 0.000 2.147 37 K HA -0.311 3.871 4.320 -0.229 0.000 0.205 37 K C 2.511 178.958 176.600 -0.255 0.000 1.049 37 K CA 2.379 58.509 56.287 -0.262 0.000 0.936 37 K CB -0.384 31.996 32.500 -0.201 0.000 0.722 37 K HN -0.121 7.902 8.250 -0.379 0.000 0.446 38 E N -3.459 116.560 120.200 -0.302 0.000 2.338 38 E HA -0.165 4.079 4.350 -0.176 0.000 0.197 38 E C -0.040 176.387 176.600 -0.288 0.000 1.007 38 E CA 1.168 57.418 56.400 -0.249 0.000 0.849 38 E CB 0.337 29.904 29.700 -0.222 0.000 0.774 38 E HN -0.037 8.030 8.360 -0.339 0.089 0.506 39 C N -2.374 116.667 119.300 -0.432 0.000 3.277 39 C HA 0.295 4.621 4.460 -0.224 0.000 0.352 39 C C -2.227 172.544 174.990 -0.364 0.000 0.998 39 C CA -2.397 56.397 59.018 -0.372 0.000 1.303 39 C CB 1.267 28.747 27.740 -0.432 0.000 1.698 39 C HN -0.398 7.323 8.230 -0.525 0.195 0.574 40 P HA -0.047 4.338 4.420 -0.160 -0.061 0.250 40 P C 0.199 177.459 177.300 -0.065 0.000 1.239 40 P CA 0.704 63.721 63.100 -0.138 0.000 0.756 40 P CB -0.167 31.478 31.700 -0.092 0.000 1.013 41 S N -1.310 114.349 115.700 -0.067 0.000 2.399 41 S HA -0.258 4.226 4.470 0.023 0.000 0.231 41 S C 1.672 176.320 174.600 0.081 0.000 1.022 41 S CA 1.692 59.904 58.200 0.020 0.000 0.983 41 S CB -0.231 62.997 63.200 0.047 0.000 0.803 41 S HN -0.134 7.929 8.310 -0.133 0.167 0.480 42 G N 1.682 110.546 108.800 0.107 0.000 3.548 42 G HA2 -0.511 3.613 3.960 0.274 0.000 0.224 42 G HA3 -0.511 3.547 3.960 0.163 0.000 0.224 42 G C -1.289 173.774 174.900 0.273 0.000 1.351 42 G CA 0.847 46.072 45.100 0.209 0.000 0.905 42 G HN -0.437 7.853 8.290 0.026 0.016 0.561 43 R N 3.178 123.808 120.500 0.216 0.000 2.215 43 R HA 0.249 4.739 4.340 0.250 0.000 0.337 43 R C -0.924 175.545 176.300 0.282 0.000 1.010 43 R CA -1.477 54.764 56.100 0.234 0.000 0.871 43 R CB 0.171 30.576 30.300 0.175 0.000 1.134 43 R HN -0.113 8.170 8.270 0.168 0.087 0.477 44 I N 7.451 128.244 120.570 0.372 0.000 2.379 44 I HA -0.016 4.369 4.170 0.357 0.000 0.290 44 I C -0.874 175.556 176.117 0.522 0.000 1.063 44 I CA 0.293 61.856 61.300 0.439 0.000 1.351 44 I CB -0.030 38.294 38.000 0.541 0.000 1.410 44 I HN 0.096 8.534 8.210 0.379 0.000 0.505 45 T N 7.339 122.118 114.554 0.375 0.000 2.874 45 T HA 0.210 4.816 4.350 0.426 0.000 0.281 45 T C 1.083 175.802 174.700 0.031 0.000 0.994 45 T CA -1.164 61.101 62.100 0.276 0.000 1.015 45 T CB 1.628 70.565 68.868 0.115 0.000 1.028 45 T HN 0.095 8.505 8.240 0.283 0.000 0.523 46 R N 3.054 123.092 120.500 -0.770 0.000 2.105 46 R HA -0.497 2.549 4.340 -2.158 0.000 0.239 46 R C 1.721 177.760 176.300 -0.434 0.000 1.135 46 R CA 4.694 59.906 56.100 -1.479 0.000 0.967 46 R CB -0.392 28.969 30.300 -1.566 0.000 0.861 46 R HN 0.624 8.548 8.270 -0.577 0.000 0.442 47 Q N -1.686 117.975 119.800 -0.232 0.000 2.030 47 Q HA -0.290 3.993 4.340 -0.096 0.000 0.204 47 Q C 1.946 177.965 176.000 0.031 0.000 0.986 47 Q CA 3.407 59.163 55.803 -0.078 0.000 0.843 47 Q CB -0.679 28.034 28.738 -0.042 0.000 0.904 47 Q HN 0.395 8.509 8.270 -0.235 0.015 0.420 48 E N 0.277 120.528 120.200 0.084 0.000 2.031 48 E HA -0.265 4.156 4.350 0.118 0.000 0.193 48 E C 2.739 179.476 176.600 0.228 0.000 0.994 48 E CA 2.746 59.234 56.400 0.146 0.000 0.800 48 E CB -0.559 29.237 29.700 0.161 0.000 0.752 48 E HN -0.192 8.209 8.360 0.068 0.000 0.447 49 F N 1.462 121.524 119.950 0.187 0.000 2.120 49 F HA -0.413 4.346 4.527 0.387 0.000 0.300 49 F C 1.422 177.328 175.800 0.177 0.000 1.095 49 F CA 3.637 61.799 58.000 0.270 0.000 1.249 49 F CB 0.067 39.273 39.000 0.342 0.000 0.995 49 F HN -0.184 8.346 8.300 0.383 0.000 0.480 50 Q N -2.713 117.261 119.800 0.290 0.000 2.297 50 Q HA -0.405 4.021 4.340 0.144 0.000 0.208 50 Q C 1.782 177.916 176.000 0.224 0.000 0.981 50 Q CA 3.013 58.916 55.803 0.167 0.000 0.876 50 Q CB -0.283 28.469 28.738 0.024 0.000 0.921 50 Q HN 0.345 8.660 8.270 0.185 0.066 0.446 51 T N 2.149 116.839 114.554 0.226 0.000 2.904 51 T HA -0.285 4.171 4.350 0.176 0.000 0.267 51 T C 1.367 176.243 174.700 0.294 0.000 1.059 51 T CA 4.213 66.439 62.100 0.210 0.000 1.137 51 T CB -0.517 68.448 68.868 0.162 0.000 0.879 51 T HN 0.432 8.586 8.240 0.220 0.218 0.467 52 I N 1.390 122.180 120.570 0.367 0.000 2.142 52 I HA -0.552 3.852 4.170 0.390 0.000 0.240 52 I C 1.393 177.850 176.117 0.566 0.000 1.078 52 I CA 3.919 65.489 61.300 0.449 0.000 1.343 52 I CB -0.316 37.966 38.000 0.469 0.000 1.046 52 I HN -0.502 7.799 8.210 0.357 0.124 0.405 53 Y N -3.360 117.122 120.300 0.303 0.000 2.421 53 Y HA -0.323 4.352 4.550 0.210 0.000 0.292 53 Y C 1.173 177.167 175.900 0.156 0.000 1.136 53 Y CA 2.520 60.640 58.100 0.034 0.000 1.255 53 Y CB -0.722 37.516 38.460 -0.370 0.000 0.991 53 Y HN -0.630 8.130 8.280 0.801 0.000 0.552 54 S N -5.089 110.804 115.700 0.321 0.000 2.558 54 S HA -0.040 4.552 4.470 0.203 0.000 0.217 54 S C 0.310 175.054 174.600 0.239 0.000 0.975 54 S CA 1.400 59.739 58.200 0.231 0.000 0.912 54 S CB 0.295 63.596 63.200 0.168 0.000 0.776 54 S HN -0.487 7.882 8.310 0.346 0.149 0.526 55 K N -0.085 120.507 120.400 0.321 0.000 2.308 55 K HA -0.007 4.399 4.320 0.143 0.000 0.197 55 K C -0.024 176.699 176.600 0.204 0.000 1.049 55 K CA 1.617 58.052 56.287 0.247 0.000 0.991 55 K CB 0.919 33.595 32.500 0.295 0.000 0.836 55 K HN -0.591 7.720 8.250 0.404 0.182 0.500 56 F N -1.950 118.133 119.950 0.222 0.000 2.446 56 F HA -0.049 4.510 4.527 0.053 0.000 0.234 56 F C -0.428 175.461 175.800 0.148 0.000 1.067 56 F CA 0.780 58.853 58.000 0.121 0.000 0.986 56 F CB 1.092 40.094 39.000 0.004 0.000 1.145 56 F HN -0.774 7.958 8.300 0.720 0.000 0.661 57 F N -4.733 115.332 119.950 0.193 0.000 2.021 57 F HA -0.199 4.363 4.527 0.057 0.000 0.165 57 F C -1.330 174.510 175.800 0.066 0.000 1.081 57 F CA -0.433 57.614 58.000 0.077 0.000 0.634 57 F CB -1.615 37.416 39.000 0.052 0.000 0.527 57 F HN 0.160 8.685 8.300 0.374 0.000 0.680 58 P HA -0.065 4.405 4.420 0.084 0.000 0.224 58 P C 0.248 177.590 177.300 0.070 0.000 1.157 58 P CA 1.031 64.176 63.100 0.075 0.000 0.799 58 P CB 0.448 32.157 31.700 0.014 0.000 0.809 59 E N -1.686 118.556 120.200 0.070 0.000 2.077 59 E HA -0.235 4.135 4.350 0.033 0.000 0.193 59 E C -0.085 176.557 176.600 0.069 0.000 0.989 59 E CA 1.955 58.388 56.400 0.055 0.000 0.800 59 E CB -0.016 29.712 29.700 0.046 0.000 0.746 59 E HN 0.126 8.496 8.360 0.065 0.029 0.452 60 A N -3.992 118.898 122.820 0.117 0.000 3.613 60 A HA 0.048 4.409 4.320 0.069 0.000 0.276 60 A C -2.439 175.227 177.584 0.136 0.000 1.115 60 A CA -0.777 51.321 52.037 0.102 0.000 0.652 60 A CB 1.996 21.047 19.000 0.085 0.000 1.498 60 A HN -0.646 7.606 8.150 0.170 0.000 0.710 61 D N -1.625 118.845 120.400 0.116 0.000 2.656 61 D HA 0.548 5.269 4.640 0.135 0.000 0.303 61 D C -1.210 175.154 176.300 0.106 0.000 1.199 61 D CA -1.933 52.135 54.000 0.114 0.000 0.797 61 D CB 0.589 41.443 40.800 0.089 0.000 1.170 61 D HN -0.170 8.257 8.370 0.095 0.000 0.509 62 P HA 0.013 4.521 4.420 0.146 0.000 0.288 62 P C -0.084 177.283 177.300 0.112 0.000 1.448 62 P CA 0.127 63.296 63.100 0.114 0.000 0.764 62 P CB -1.191 30.543 31.700 0.057 0.000 1.472 63 K N 0.137 120.587 120.400 0.084 0.000 2.000 63 K HA -0.466 3.879 4.320 0.041 0.000 0.218 63 K C 2.098 178.708 176.600 0.016 0.000 1.053 63 K CA 4.245 60.561 56.287 0.047 0.000 0.946 63 K CB -0.727 31.800 32.500 0.045 0.000 0.723 63 K HN 0.446 8.565 8.250 0.089 0.185 0.446 64 A N -2.681 120.168 122.820 0.048 0.000 1.948 64 A HA -0.258 3.999 4.320 -0.105 0.000 0.220 64 A C 1.707 179.337 177.584 0.077 0.000 1.177 64 A CA 2.737 54.784 52.037 0.016 0.000 0.636 64 A CB -0.691 18.377 19.000 0.112 0.000 0.815 64 A HN 0.422 8.617 8.150 0.074 0.000 0.449 65 Y N 0.087 120.419 120.300 0.055 0.000 2.200 65 Y HA -0.444 4.210 4.550 0.174 0.000 0.290 65 Y C 1.194 176.993 175.900 -0.169 0.000 1.137 65 Y CA 3.203 61.326 58.100 0.038 0.000 1.163 65 Y CB -0.366 38.116 38.460 0.037 0.000 0.988 65 Y HN -0.293 8.056 8.280 0.269 0.092 0.518 66 A N -1.998 120.752 122.820 -0.117 0.000 1.940 66 A HA -0.412 3.379 4.320 -0.882 0.000 0.219 66 A C 2.372 179.689 177.584 -0.446 0.000 1.176 66 A CA 3.278 54.980 52.037 -0.559 0.000 0.631 66 A CB -0.982 17.693 19.000 -0.541 0.000 0.814 66 A HN 0.767 8.738 8.150 0.019 0.190 0.446 67 Q N -3.339 116.269 119.800 -0.320 0.000 2.245 67 Q HA -0.329 3.827 4.340 -0.307 0.000 0.201 67 Q C 2.353 178.136 176.000 -0.362 0.000 0.955 67 Q CA 2.789 58.393 55.803 -0.331 0.000 0.870 67 Q CB 0.124 28.666 28.738 -0.327 0.000 0.945 67 Q HN -0.391 7.637 8.270 -0.247 0.093 0.461 68 H N 0.959 119.807 119.070 -0.371 0.000 2.333 68 H HA -0.177 4.188 4.556 -0.317 0.000 0.302 68 H C 2.534 177.521 175.328 -0.569 0.000 1.075 68 H CA 3.558 59.349 56.048 -0.429 0.000 1.348 68 H CB 0.313 29.774 29.762 -0.501 0.000 1.393 68 H HN -0.387 7.546 8.280 -0.334 0.147 0.509 69 V N 0.308 119.858 119.914 -0.606 0.000 2.343 69 V HA -0.448 3.202 4.120 -0.783 0.000 0.247 69 V C 1.290 176.710 176.094 -1.123 0.000 1.051 69 V CA 3.634 65.455 62.300 -0.799 0.000 1.036 69 V CB -0.082 31.378 31.823 -0.604 0.000 0.654 69 V HN -0.037 7.767 8.190 -0.644 0.000 0.451 70 F N 0.022 119.438 119.950 -0.889 0.000 2.120 70 F HA -0.465 3.631 4.527 -0.718 0.000 0.300 70 F C 1.332 176.765 175.800 -0.613 0.000 1.095 70 F CA 3.617 61.187 58.000 -0.717 0.000 1.249 70 F CB 0.101 38.832 39.000 -0.448 0.000 0.995 70 F HN -0.748 7.260 8.300 -0.479 0.004 0.480 71 R N -3.599 116.753 120.500 -0.247 0.000 2.235 71 R HA -0.343 3.937 4.340 -0.101 0.000 0.213 71 R C 2.298 178.350 176.300 -0.412 0.000 1.059 71 R CA 2.697 58.665 56.100 -0.220 0.000 0.997 71 R CB -0.103 30.112 30.300 -0.142 0.000 0.884 71 R HN -0.456 7.599 8.270 -0.213 0.087 0.462 72 S N 0.566 115.865 115.700 -0.668 0.000 2.355 72 S HA -0.205 4.000 4.470 -0.442 0.000 0.222 72 S C 0.583 174.881 174.600 -0.503 0.000 1.031 72 S CA 3.239 61.061 58.200 -0.630 0.000 0.993 72 S CB 0.323 63.090 63.200 -0.722 0.000 0.859 72 S HN -0.120 7.521 8.310 -0.801 0.188 0.453 73 F N -5.957 113.878 119.950 -0.192 0.000 2.682 73 F HA 0.316 4.815 4.527 -0.047 0.000 0.308 73 F C -0.181 175.485 175.800 -0.225 0.000 1.093 73 F CA -1.279 56.655 58.000 -0.110 0.000 1.244 73 F CB 0.247 39.242 39.000 -0.008 0.000 1.052 73 F HN -0.751 6.445 8.300 -1.839 0.000 0.573 74 D N 1.810 122.033 120.400 -0.296 0.000 2.202 74 D HA -0.022 4.656 4.640 -0.257 -0.191 0.214 74 D C 0.973 177.185 176.300 -0.147 0.000 0.967 74 D CA 1.484 55.284 54.000 -0.334 0.000 0.871 74 D CB 1.191 41.553 40.800 -0.730 0.000 1.020 74 D HN -0.400 7.578 8.370 -0.485 0.102 0.474 75 A N -1.625 121.109 122.820 -0.143 0.000 2.263 75 A HA -0.056 4.234 4.320 -0.050 0.000 0.205 75 A C 0.554 178.085 177.584 -0.087 0.000 1.226 75 A CA 1.259 53.243 52.037 -0.088 0.000 0.810 75 A CB -0.940 18.000 19.000 -0.099 0.000 0.784 75 A HN -0.549 7.482 8.150 -0.199 0.000 0.486 76 N N -1.376 117.278 118.700 -0.076 0.000 2.747 76 N HA -0.207 4.475 4.740 -0.097 0.000 0.252 76 N C -0.424 175.074 175.510 -0.021 0.000 1.352 76 N CA 0.032 53.054 53.050 -0.046 0.000 0.960 76 N CB -2.238 36.277 38.487 0.046 0.000 1.303 76 N HN -0.120 8.010 8.380 -0.081 0.202 0.518 77 S N -1.161 114.520 115.700 -0.032 0.000 3.681 77 S HA -0.344 4.115 4.470 -0.018 0.000 0.473 77 S C -1.381 173.217 174.600 -0.002 0.000 0.830 77 S CA 1.629 59.820 58.200 -0.016 0.000 1.355 77 S CB -0.503 62.689 63.200 -0.013 0.000 0.892 77 S HN 0.277 8.404 8.310 -0.047 0.155 0.649 78 D N 2.559 122.959 120.400 0.000 0.000 2.203 78 D HA 0.212 4.859 4.640 0.012 0.000 0.086 78 D C -0.275 176.039 176.300 0.023 0.000 1.493 78 D CA 0.556 54.563 54.000 0.012 0.000 1.159 78 D CB 0.668 41.474 40.800 0.011 0.000 2.735 78 D HN -0.026 8.342 8.370 -0.004 0.000 0.214 79 G N 0.083 108.900 108.800 0.029 0.000 3.876 79 G HA2 -0.088 3.903 3.960 0.051 0.000 0.203 79 G HA3 -0.088 3.906 3.960 0.056 0.000 0.203 79 G C -0.879 174.078 174.900 0.095 0.000 1.162 79 G CA 0.374 45.507 45.100 0.055 0.000 0.903 79 G HN -0.169 8.131 8.290 0.016 0.000 0.390 80 T N -0.418 114.193 114.554 0.095 0.000 2.883 80 T HA 0.289 4.840 4.350 0.241 -0.056 0.296 80 T C -1.469 173.290 174.700 0.097 0.000 1.117 80 T CA -2.279 59.917 62.100 0.160 0.000 1.006 80 T CB 3.678 72.658 68.868 0.187 0.000 1.191 80 T HN -0.013 8.563 8.240 0.072 -0.293 0.508 81 L N 3.433 124.735 121.223 0.133 0.000 2.363 81 L HA 0.130 4.692 4.340 -0.010 -0.227 0.286 81 L C -1.073 175.920 176.870 0.206 0.000 1.106 81 L CA -0.503 54.390 54.840 0.089 0.000 0.859 81 L CB 0.478 42.602 42.059 0.109 0.000 1.223 81 L HN -0.051 8.360 8.230 0.302 0.000 0.446 82 D N 5.335 125.809 120.400 0.122 0.000 2.354 82 D HA 0.131 4.912 4.640 0.235 0.000 0.247 82 D C 0.838 177.183 176.300 0.075 0.000 1.138 82 D CA -1.411 52.675 54.000 0.143 0.000 0.958 82 D CB 2.365 43.212 40.800 0.078 0.000 1.144 82 D HN -0.465 7.942 8.370 0.061 0.000 0.458 83 F N 4.171 124.078 119.950 -0.072 0.000 2.115 83 F HA -0.427 3.667 4.527 -0.721 0.000 0.300 83 F C 0.935 176.577 175.800 -0.264 0.000 1.092 83 F CA 2.922 60.692 58.000 -0.384 0.000 1.245 83 F CB 0.411 39.266 39.000 -0.242 0.000 0.995 83 F HN 0.703 9.207 8.300 0.341 0.000 0.481 84 K N -1.183 118.899 120.400 -0.531 0.000 2.034 84 K HA -0.519 3.257 4.320 -0.907 0.000 0.214 84 K C 1.936 178.210 176.600 -0.543 0.000 1.051 84 K CA 3.858 59.768 56.287 -0.627 0.000 0.931 84 K CB -0.515 31.793 32.500 -0.320 0.000 0.715 84 K HN -0.622 7.724 8.250 -0.203 -0.218 0.446 85 E N -2.413 117.595 120.200 -0.320 0.000 2.204 85 E HA -0.327 3.848 4.350 -0.291 0.000 0.195 85 E C 2.349 178.703 176.600 -0.410 0.000 0.990 85 E CA 2.534 58.764 56.400 -0.283 0.000 0.821 85 E CB -0.345 29.288 29.700 -0.111 0.000 0.750 85 E HN -0.387 7.842 8.360 -0.219 0.000 0.477 86 Y N 0.694 120.712 120.300 -0.471 0.000 2.200 86 Y HA -0.379 4.067 4.550 -0.173 0.000 0.290 86 Y C 1.608 177.187 175.900 -0.536 0.000 1.137 86 Y CA 3.751 61.634 58.100 -0.361 0.000 1.163 86 Y CB 0.015 38.330 38.460 -0.242 0.000 0.988 86 Y HN -0.619 7.347 8.280 -0.246 0.166 0.518 87 V N -0.078 119.424 119.914 -0.686 0.000 2.343 87 V HA -0.534 3.178 4.120 -0.680 0.000 0.247 87 V C 1.881 177.687 176.094 -0.479 0.000 1.051 87 V CA 4.986 66.854 62.300 -0.721 0.000 1.036 87 V CB -0.323 30.927 31.823 -0.954 0.000 0.654 87 V HN -0.145 7.457 8.190 -0.980 0.000 0.451 88 I N -1.523 118.738 120.570 -0.514 0.000 2.361 88 I HA -0.484 3.482 4.170 -0.339 0.000 0.251 88 I C 1.719 177.540 176.117 -0.492 0.000 1.133 88 I CA 3.847 64.879 61.300 -0.447 0.000 1.413 88 I CB -0.854 36.867 38.000 -0.465 0.000 1.073 88 I HN -0.652 7.219 8.210 -0.566 0.000 0.424 89 A N 0.383 122.747 122.820 -0.760 0.000 1.872 89 A HA -0.181 3.659 4.320 -0.801 0.000 0.214 89 A C 2.411 179.812 177.584 -0.306 0.000 1.187 89 A CA 3.132 54.655 52.037 -0.857 0.000 0.614 89 A CB -0.529 17.643 19.000 -1.380 0.000 0.826 89 A HN -0.468 7.079 8.150 -0.798 0.125 0.442 90 L N -2.762 118.331 121.223 -0.217 0.000 2.265 90 L HA -0.264 4.128 4.340 0.086 0.000 0.215 90 L C 2.349 179.259 176.870 0.067 0.000 1.117 90 L CA 2.567 57.425 54.840 0.031 0.000 0.782 90 L CB -1.598 40.577 42.059 0.193 0.000 0.914 90 L HN -0.046 7.987 8.230 -0.329 0.000 0.441 91 H N 0.573 119.572 119.070 -0.118 0.000 2.343 91 H HA -0.213 4.333 4.556 -0.017 0.000 0.303 91 H C 1.578 176.881 175.328 -0.042 0.000 1.068 91 H CA 3.097 59.096 56.048 -0.083 0.000 1.359 91 H CB 0.484 30.143 29.762 -0.173 0.000 1.402 91 H HN -0.286 7.793 8.280 -0.065 0.162 0.515 92 M N -2.420 117.034 119.600 -0.243 0.000 2.254 92 M HA -0.186 4.089 4.480 -0.342 0.000 0.265 92 M C 2.487 178.776 176.300 -0.017 0.000 1.066 92 M CA 1.375 56.556 55.300 -0.197 0.000 1.123 92 M CB -0.768 31.788 32.600 -0.073 0.000 1.388 92 M HN -0.511 7.681 8.290 -0.163 0.000 0.425 93 T N 0.767 115.325 114.554 0.007 0.000 2.714 93 T HA -0.264 4.085 4.350 -0.002 0.000 0.268 93 T C 0.395 175.229 174.700 0.222 0.000 1.036 93 T CA 3.684 65.842 62.100 0.097 0.000 1.148 93 T CB 0.242 69.190 68.868 0.134 0.000 0.856 93 T HN -0.016 8.209 8.240 -0.025 0.000 0.462 94 S N -0.576 115.200 115.700 0.127 0.000 2.305 94 S HA 0.008 4.568 4.470 0.150 0.000 0.208 94 S C -1.698 172.938 174.600 0.060 0.000 0.797 94 S CA 0.626 58.900 58.200 0.123 0.000 1.007 94 S CB -0.202 63.080 63.200 0.137 0.000 1.334 94 S HN -0.866 7.463 8.310 0.058 0.015 0.380 95 A N 4.638 127.458 122.820 0.001 0.000 1.428 95 A HA 0.161 4.525 4.320 0.073 0.000 0.209 95 A C -0.250 177.336 177.584 0.003 0.000 1.887 95 A CA 0.412 52.461 52.037 0.019 0.000 1.545 95 A CB 0.577 19.606 19.000 0.048 0.000 1.456 95 A HN 0.030 8.171 8.150 -0.015 0.000 0.330 96 G N -0.218 108.507 108.800 -0.125 0.000 2.484 96 G HA2 -0.177 3.807 3.960 0.040 0.000 0.235 96 G HA3 -0.177 3.738 3.960 -0.075 0.000 0.235 96 G C -1.252 173.660 174.900 0.021 0.000 1.282 96 G CA 0.034 45.114 45.100 -0.034 0.000 0.857 96 G HN 0.071 8.172 8.290 -0.315 0.000 0.571 97 K N 0.093 120.518 120.400 0.041 0.000 2.504 97 K HA 0.091 4.432 4.320 0.034 0.000 0.189 97 K C -0.307 176.316 176.600 0.038 0.000 1.803 97 K CA 0.568 56.877 56.287 0.038 0.000 1.040 97 K CB 1.468 33.990 32.500 0.038 0.000 1.587 97 K HN 0.027 8.307 8.250 0.051 0.000 0.584 98 T N -1.278 113.302 114.554 0.044 0.000 3.029 98 T HA 0.076 4.446 4.350 0.034 0.000 0.256 98 T C -0.530 174.196 174.700 0.043 0.000 0.914 98 T CA 0.003 62.127 62.100 0.039 0.000 0.880 98 T CB 1.199 70.088 68.868 0.036 0.000 1.246 98 T HN -0.262 8.009 8.240 0.052 0.000 0.523 99 N N 1.410 120.142 118.700 0.053 0.000 2.366 99 N HA 0.061 4.827 4.740 0.044 0.000 0.277 99 N C -1.594 173.953 175.510 0.062 0.000 1.275 99 N CA -0.413 52.670 53.050 0.054 0.000 0.964 99 N CB 0.650 39.177 38.487 0.067 0.000 1.167 99 N HN -0.521 7.894 8.380 0.059 0.000 0.568 100 Q N 0.294 120.132 119.800 0.063 0.000 2.274 100 Q HA 0.112 4.504 4.340 0.086 0.000 0.256 100 Q C -0.764 175.296 176.000 0.100 0.000 0.927 100 Q CA 0.330 56.181 55.803 0.081 0.000 0.939 100 Q CB 0.591 29.373 28.738 0.075 0.000 1.201 100 Q HN 0.428 8.730 8.270 0.054 0.000 0.426 101 K N 0.835 121.316 120.400 0.135 0.000 2.601 101 K HA 0.104 4.523 4.320 0.165 0.000 0.214 101 K C 0.865 177.631 176.600 0.276 0.000 1.628 101 K CA 0.329 56.720 56.287 0.173 0.000 1.036 101 K CB 0.804 33.369 32.500 0.108 0.000 1.352 101 K HN 0.417 8.751 8.250 0.140 0.000 0.607 102 L N 1.548 122.928 121.223 0.261 0.000 2.034 102 L HA -0.433 4.153 4.340 0.409 0.000 0.217 102 L C 1.672 178.761 176.870 0.365 0.000 1.077 102 L CA 3.636 58.691 54.840 0.360 0.000 0.769 102 L CB -1.045 41.216 42.059 0.337 0.000 0.890 102 L HN 0.131 8.485 8.230 0.206 0.000 0.435 103 E N -1.915 118.458 120.200 0.288 0.000 2.114 103 E HA -0.425 4.010 4.350 0.140 0.000 0.199 103 E C 1.555 178.309 176.600 0.256 0.000 1.008 103 E CA 3.075 59.612 56.400 0.228 0.000 0.810 103 E CB -0.457 29.377 29.700 0.223 0.000 0.739 103 E HN 0.242 8.753 8.360 0.254 0.002 0.456 104 W N -1.751 119.613 121.300 0.107 0.000 2.436 104 W HA -0.122 4.578 4.660 0.068 0.000 0.284 104 W C 0.921 177.494 176.519 0.090 0.000 1.225 104 W CA 2.135 59.532 57.345 0.088 0.000 1.271 104 W CB 0.480 29.992 29.460 0.087 0.000 1.114 104 W HN 0.122 8.512 8.180 0.550 0.120 0.559 105 A N -0.649 122.369 122.820 0.330 0.000 1.972 105 A HA -0.301 4.176 4.320 0.262 0.000 0.219 105 A C 1.805 179.420 177.584 0.051 0.000 1.169 105 A CA 2.794 54.997 52.037 0.278 0.000 0.635 105 A CB -1.249 18.042 19.000 0.485 0.000 0.810 105 A HN -0.045 8.207 8.150 0.399 0.137 0.446 106 F N -3.295 116.474 119.950 -0.302 0.000 2.494 106 F HA -0.217 3.712 4.527 -0.997 0.000 0.298 106 F C -0.277 175.314 175.800 -0.348 0.000 1.106 106 F CA 2.021 59.656 58.000 -0.608 0.000 1.452 106 F CB 0.226 38.881 39.000 -0.575 0.000 1.085 106 F HN -0.308 7.938 8.300 0.111 0.121 0.569 107 S N -1.993 113.548 115.700 -0.267 0.000 2.384 107 S HA -0.031 4.216 4.470 -0.371 0.000 0.217 107 S C 1.779 176.201 174.600 -0.295 0.000 1.041 107 S CA 2.134 60.126 58.200 -0.347 0.000 0.948 107 S CB 1.148 64.063 63.200 -0.475 0.000 0.872 107 S HN -0.473 7.539 8.310 -0.170 0.196 0.512 108 L N 3.264 124.348 121.223 -0.232 0.000 2.081 108 L HA -0.271 3.892 4.340 -0.294 0.000 0.212 108 L C 1.139 177.906 176.870 -0.172 0.000 1.080 108 L CA 2.944 57.650 54.840 -0.224 0.000 0.754 108 L CB -0.889 41.073 42.059 -0.162 0.000 0.893 108 L HN -0.624 7.487 8.230 -0.198 0.000 0.433 109 Y N -2.693 117.471 120.300 -0.226 0.000 2.519 109 Y HA -0.140 4.321 4.550 -0.148 0.000 0.311 109 Y C -1.094 174.616 175.900 -0.317 0.000 1.207 109 Y CA -0.228 57.748 58.100 -0.207 0.000 1.289 109 Y CB 0.005 38.384 38.460 -0.135 0.000 1.059 109 Y HN -0.537 7.719 8.280 -0.027 0.008 0.507 110 D N -1.808 118.484 120.400 -0.179 0.000 2.375 110 D HA 0.152 4.753 4.640 -0.204 -0.083 0.241 110 D C -0.858 175.320 176.300 -0.203 0.000 1.361 110 D CA -1.466 52.380 54.000 -0.256 0.000 0.995 110 D CB 0.948 41.469 40.800 -0.466 0.000 1.312 110 D HN -0.174 7.817 8.370 -0.198 0.260 0.576 111 V N 0.533 120.366 119.914 -0.135 0.000 2.599 111 V HA -0.118 3.927 4.120 -0.126 0.000 0.245 111 V C 0.906 176.939 176.094 -0.101 0.000 1.046 111 V CA 1.105 63.345 62.300 -0.099 0.000 1.065 111 V CB 0.798 32.616 31.823 -0.008 0.000 0.703 111 V HN -0.153 7.969 8.190 -0.113 0.000 0.464 112 D N 0.608 120.949 120.400 -0.098 0.000 2.177 112 D HA -0.336 4.262 4.640 -0.071 0.000 0.189 112 D C 0.907 177.152 176.300 -0.092 0.000 1.002 112 D CA 2.331 56.279 54.000 -0.087 0.000 0.845 112 D CB 0.137 40.883 40.800 -0.090 0.000 0.960 112 D HN -0.302 8.032 8.370 -0.101 -0.025 0.447 113 G N -2.419 106.314 108.800 -0.112 0.000 3.178 113 G HA2 -0.073 3.820 3.960 -0.111 0.000 0.134 113 G HA3 -0.073 3.837 3.960 -0.082 0.000 0.134 113 G C -2.468 172.358 174.900 -0.123 0.000 1.143 113 G CA 0.207 45.243 45.100 -0.106 0.000 1.487 113 G HN -0.476 7.959 8.290 -0.133 -0.225 0.711 114 N N -0.373 118.275 118.700 -0.087 0.000 3.126 114 N HA 0.229 5.089 4.740 -0.103 -0.183 0.233 114 N C -1.051 174.465 175.510 0.010 0.000 1.069 114 N CA 0.655 53.673 53.050 -0.052 0.000 1.071 114 N CB 2.022 40.490 38.487 -0.033 0.000 1.683 114 N HN -0.381 7.957 8.380 -0.069 0.000 0.586 115 G N 2.520 111.364 108.800 0.073 0.000 4.227 115 G HA2 0.035 4.037 3.960 0.071 0.000 0.200 115 G HA3 0.035 4.016 3.960 0.036 0.000 0.200 115 G C -2.037 172.955 174.900 0.153 0.000 0.920 115 G CA 1.294 46.443 45.100 0.081 0.000 0.953 115 G HN 0.523 8.869 8.290 0.093 0.000 0.323 116 T N -2.065 112.563 114.554 0.123 0.000 2.830 116 T HA 0.423 5.094 4.350 0.381 -0.092 0.322 116 T C -1.750 172.949 174.700 -0.002 0.000 1.501 116 T CA -1.460 60.741 62.100 0.168 0.000 1.036 116 T CB 2.957 71.887 68.868 0.104 0.000 1.379 116 T HN -0.633 7.628 8.240 0.034 0.000 0.493 117 I N 4.202 124.768 120.570 -0.007 0.000 2.291 117 I HA 0.097 4.308 4.170 -0.259 -0.197 0.290 117 I C -0.986 175.157 176.117 0.043 0.000 1.050 117 I CA -0.522 60.689 61.300 -0.149 0.000 1.245 117 I CB 1.108 38.940 38.000 -0.280 0.000 1.405 117 I HN 0.951 9.110 8.210 0.132 0.130 0.478 118 S N 7.289 122.951 115.700 -0.063 0.000 2.654 118 S HA 0.293 4.740 4.470 -0.037 0.000 0.283 118 S C 0.963 175.326 174.600 -0.395 0.000 1.180 118 S CA -1.730 56.379 58.200 -0.152 0.000 1.021 118 S CB 1.590 64.706 63.200 -0.140 0.000 1.018 118 S HN 0.151 8.390 8.310 -0.119 0.000 0.532 119 K N 2.911 122.800 120.400 -0.852 0.000 2.160 119 K HA -0.423 3.408 4.320 -0.815 0.000 0.206 119 K C 1.591 177.966 176.600 -0.375 0.000 1.047 119 K CA 4.184 59.970 56.287 -0.836 0.000 0.930 119 K CB -0.277 31.607 32.500 -1.026 0.000 0.720 119 K HN 0.660 8.313 8.250 -0.995 0.000 0.450 120 N N -2.737 115.790 118.700 -0.288 0.000 2.216 120 N HA -0.246 4.402 4.740 -0.154 0.000 0.183 120 N C 1.996 177.434 175.510 -0.121 0.000 1.017 120 N CA 3.610 56.558 53.050 -0.169 0.000 0.861 120 N CB -0.148 38.256 38.487 -0.138 0.000 0.986 120 N HN 0.146 8.311 8.380 -0.315 0.027 0.428 121 E N 0.415 120.535 120.200 -0.134 0.000 2.031 121 E HA -0.357 3.945 4.350 -0.080 0.000 0.193 121 E C 2.159 178.738 176.600 -0.034 0.000 0.994 121 E CA 3.211 59.552 56.400 -0.098 0.000 0.800 121 E CB 0.171 29.785 29.700 -0.144 0.000 0.752 121 E HN -0.458 7.695 8.360 -0.171 0.105 0.447 122 V N -1.865 118.033 119.914 -0.027 0.000 2.343 122 V HA -0.403 3.964 4.120 0.412 0.000 0.247 122 V C 1.434 177.605 176.094 0.127 0.000 1.051 122 V CA 4.022 66.426 62.300 0.172 0.000 1.036 122 V CB -0.432 31.466 31.823 0.124 0.000 0.654 122 V HN -0.508 7.617 8.190 -0.108 0.000 0.451 123 L N 0.229 121.462 121.223 0.016 0.000 2.051 123 L HA -0.476 3.874 4.340 0.017 0.000 0.214 123 L C 2.257 179.131 176.870 0.007 0.000 1.076 123 L CA 3.571 58.409 54.840 -0.003 0.000 0.758 123 L CB -0.704 41.319 42.059 -0.061 0.000 0.890 123 L HN -0.129 8.069 8.230 -0.047 0.004 0.433 124 E N -1.177 119.019 120.200 -0.006 0.000 2.031 124 E HA -0.311 4.064 4.350 0.041 0.000 0.193 124 E C 2.725 179.270 176.600 -0.091 0.000 0.994 124 E CA 2.579 58.979 56.400 0.001 0.000 0.800 124 E CB -0.900 28.814 29.700 0.024 0.000 0.752 124 E HN -0.603 7.651 8.360 -0.017 0.096 0.447 125 I N -1.321 119.134 120.570 -0.192 0.000 2.361 125 I HA -0.294 3.487 4.170 -0.648 0.000 0.251 125 I C 2.581 178.679 176.117 -0.031 0.000 1.133 125 I CA 1.290 62.413 61.300 -0.294 0.000 1.413 125 I CB -1.703 36.156 38.000 -0.235 0.000 1.073 125 I HN -0.721 7.428 8.210 -0.102 0.000 0.424 126 V N 1.661 121.615 119.914 0.068 0.000 2.307 126 V HA -0.566 3.654 4.120 0.166 0.000 0.245 126 V C 2.108 178.289 176.094 0.145 0.000 1.045 126 V CA 5.125 67.506 62.300 0.135 0.000 1.024 126 V CB -0.374 31.529 31.823 0.134 0.000 0.651 126 V HN 0.847 8.873 8.190 0.077 0.211 0.449 127 T N 1.908 116.513 114.554 0.086 0.000 2.708 127 T HA -0.452 3.932 4.350 0.056 0.000 0.266 127 T C 1.717 176.530 174.700 0.190 0.000 1.037 127 T CA 5.227 67.385 62.100 0.097 0.000 1.146 127 T CB -0.266 68.633 68.868 0.052 0.000 0.865 127 T HN 0.225 8.386 8.240 0.053 0.111 0.435 128 A N 1.471 124.397 122.820 0.177 0.000 1.883 128 A HA -0.378 4.077 4.320 0.225 0.000 0.217 128 A C 1.924 179.668 177.584 0.266 0.000 1.186 128 A CA 3.214 55.394 52.037 0.239 0.000 0.624 128 A CB -0.739 18.444 19.000 0.305 0.000 0.822 128 A HN 0.070 8.296 8.150 0.127 0.000 0.444 129 I N -1.065 119.664 120.570 0.264 0.000 2.163 129 I HA -0.620 3.696 4.170 0.243 0.000 0.243 129 I C 1.694 177.944 176.117 0.222 0.000 1.085 129 I CA 3.841 65.289 61.300 0.248 0.000 1.347 129 I CB -0.110 38.027 38.000 0.227 0.000 1.044 129 I HN -0.250 7.981 8.210 0.213 0.107 0.408 130 F N -0.604 119.400 119.950 0.090 0.000 2.085 130 F HA -0.569 3.997 4.527 0.064 0.000 0.299 130 F C 2.411 178.252 175.800 0.068 0.000 1.096 130 F CA 3.938 61.980 58.000 0.071 0.000 1.227 130 F CB -0.205 38.833 39.000 0.063 0.000 0.983 130 F HN 0.104 8.589 8.300 0.418 0.065 0.482 131 K N -2.298 118.239 120.400 0.228 0.000 2.063 131 K HA -0.414 3.977 4.320 0.119 0.000 0.208 131 K C 2.399 179.041 176.600 0.070 0.000 1.048 131 K CA 2.772 59.139 56.287 0.133 0.000 0.928 131 K CB -0.724 31.864 32.500 0.147 0.000 0.713 131 K HN -0.479 7.948 8.250 0.292 -0.002 0.442 132 M N -1.770 117.881 119.600 0.085 0.000 2.346 132 M HA -0.231 4.299 4.480 0.083 0.000 0.263 132 M C -0.202 176.102 176.300 0.006 0.000 1.064 132 M CA 2.073 57.407 55.300 0.057 0.000 1.083 132 M CB 0.371 32.989 32.600 0.030 0.000 1.399 132 M HN -0.674 7.607 8.290 0.128 0.086 0.435 133 I N 0.100 120.632 120.570 -0.063 0.000 2.269 133 I HA 0.006 4.125 4.170 -0.084 0.000 0.293 133 I C -1.039 174.987 176.117 -0.152 0.000 1.106 133 I CA -1.333 59.882 61.300 -0.141 0.000 1.248 133 I CB -0.866 36.957 38.000 -0.295 0.000 1.444 133 I HN -0.289 7.688 8.210 -0.063 0.195 0.497 134 S N 7.888 123.540 115.700 -0.079 0.000 2.572 134 S HA 0.066 4.508 4.470 -0.048 0.000 0.267 134 S C -0.115 174.420 174.600 -0.109 0.000 1.361 134 S CA -1.029 57.132 58.200 -0.065 0.000 1.009 134 S CB -0.996 62.187 63.200 -0.029 0.000 0.888 134 S HN -0.230 8.052 8.310 -0.047 0.000 0.553 135 P HA -0.237 4.112 4.420 -0.119 0.000 0.215 135 P C 1.410 178.616 177.300 -0.156 0.000 1.153 135 P CA 2.229 65.265 63.100 -0.107 0.000 0.853 135 P CB 0.068 31.729 31.700 -0.064 0.000 0.788 136 E N -1.009 119.114 120.200 -0.128 0.000 2.068 136 E HA -0.490 3.741 4.350 -0.199 0.000 0.207 136 E C 2.001 178.424 176.600 -0.294 0.000 1.032 136 E CA 3.460 59.759 56.400 -0.168 0.000 0.839 136 E CB -0.866 28.804 29.700 -0.050 0.000 0.758 136 E HN 0.434 8.737 8.360 -0.083 0.007 0.457 137 D N -2.605 117.712 120.400 -0.138 0.000 2.103 137 D HA -0.120 4.566 4.640 0.077 0.000 0.199 137 D C 2.532 178.749 176.300 -0.137 0.000 0.978 137 D CA 3.013 56.973 54.000 -0.067 0.000 0.829 137 D CB -0.167 40.617 40.800 -0.027 0.000 0.981 137 D HN -0.436 7.877 8.370 -0.096 0.000 0.464 138 T N 3.392 117.838 114.554 -0.179 0.000 2.685 138 T HA -0.480 3.768 4.350 -0.169 0.000 0.268 138 T C 1.335 175.959 174.700 -0.128 0.000 1.034 138 T CA 4.645 66.637 62.100 -0.180 0.000 1.149 138 T CB -0.482 68.241 68.868 -0.241 0.000 0.860 138 T HN -0.164 7.966 8.240 -0.183 0.000 0.449 139 K N -0.001 120.269 120.400 -0.217 0.000 2.280 139 K HA -0.287 3.980 4.320 -0.089 0.000 0.202 139 K C 1.057 177.576 176.600 -0.134 0.000 1.047 139 K CA 1.932 58.097 56.287 -0.203 0.000 0.942 139 K CB -0.012 32.304 32.500 -0.307 0.000 0.739 139 K HN 0.435 8.405 8.250 -0.265 0.121 0.457 140 H N -2.948 116.121 119.070 -0.001 0.000 2.704 140 H HA 0.062 4.623 4.556 0.008 0.000 0.315 140 H C -0.951 174.384 175.328 0.012 0.000 1.117 140 H CA -0.890 55.160 56.048 0.004 0.000 1.129 140 H CB -1.010 28.751 29.762 -0.002 0.000 1.439 140 H HN -0.054 7.865 8.280 -0.292 0.185 0.528 141 L N 1.019 122.301 121.223 0.099 0.000 2.325 141 L HA 0.292 4.684 4.340 0.086 0.000 0.279 141 L C -1.452 175.466 176.870 0.079 0.000 1.054 141 L CA -2.574 52.317 54.840 0.085 0.000 0.804 141 L CB 0.150 42.258 42.059 0.082 0.000 1.200 141 L HN -0.754 7.410 8.230 0.065 0.106 0.436 142 P HA -0.065 4.387 4.420 0.053 0.000 0.300 142 P C -1.284 176.050 177.300 0.056 0.000 1.294 142 P CA -0.749 62.386 63.100 0.058 0.000 0.757 142 P CB 0.582 32.312 31.700 0.051 0.000 1.377 143 E N -0.943 119.284 120.200 0.045 0.000 2.254 143 E HA -0.120 4.257 4.350 0.045 0.000 0.261 143 E C -0.204 176.420 176.600 0.039 0.000 1.051 143 E CA -0.138 56.287 56.400 0.041 0.000 0.902 143 E CB 0.965 30.683 29.700 0.030 0.000 1.168 143 E HN -0.068 8.316 8.360 0.039 0.000 0.423 144 D N -1.020 119.401 120.400 0.036 0.000 2.811 144 D HA -0.295 4.361 4.640 0.027 0.000 0.231 144 D C -2.105 174.220 176.300 0.042 0.000 1.157 144 D CA 1.511 55.530 54.000 0.031 0.000 0.716 144 D CB -0.318 40.495 40.800 0.021 0.000 1.077 144 D HN 0.310 8.700 8.370 0.034 0.000 0.428 145 E N -4.455 115.780 120.200 0.059 0.000 2.705 145 E HA 0.117 4.511 4.350 0.074 0.000 0.373 145 E C -2.774 173.899 176.600 0.122 0.000 1.071 145 E CA -0.220 56.229 56.400 0.082 0.000 0.790 145 E CB 0.457 30.206 29.700 0.083 0.000 1.478 145 E HN -0.014 8.360 8.360 0.060 0.022 0.391 146 N N -0.518 118.257 118.700 0.126 0.000 2.217 146 N HA 0.183 5.092 4.740 0.281 0.000 0.239 146 N C -1.536 174.110 175.510 0.227 0.000 1.330 146 N CA -0.196 52.981 53.050 0.212 0.000 0.838 146 N CB 1.448 40.023 38.487 0.147 0.000 1.287 146 N HN -0.092 8.337 8.380 0.083 0.000 0.498 147 T N -2.253 112.314 114.554 0.021 0.000 2.894 147 T HA 0.455 4.400 4.350 -0.675 0.000 0.309 147 T C -1.843 172.596 174.700 -0.434 0.000 1.208 147 T CA -2.831 59.067 62.100 -0.338 0.000 1.016 147 T CB 2.035 70.800 68.868 -0.173 0.000 1.192 147 T HN -0.502 7.767 8.240 0.048 0.000 0.491 148 P HA -0.187 4.065 4.420 -0.280 0.000 0.218 148 P C 1.209 178.412 177.300 -0.163 0.000 1.146 148 P CA 2.368 65.233 63.100 -0.392 0.000 0.813 148 P CB 0.160 31.638 31.700 -0.369 0.000 0.778 149 E N -2.658 117.446 120.200 -0.159 0.000 2.158 149 E HA -0.160 4.148 4.350 -0.070 0.000 0.191 149 E C 1.967 178.544 176.600 -0.039 0.000 0.982 149 E CA 2.827 59.177 56.400 -0.082 0.000 0.823 149 E CB -0.380 29.272 29.700 -0.080 0.000 0.766 149 E HN 0.335 8.528 8.360 -0.218 0.037 0.468 150 K N -0.533 119.844 120.400 -0.038 0.000 2.116 150 K HA -0.150 4.176 4.320 0.010 0.000 0.203 150 K C 2.531 179.158 176.600 0.044 0.000 1.052 150 K CA 1.819 58.111 56.287 0.007 0.000 0.952 150 K CB -0.106 32.402 32.500 0.013 0.000 0.729 150 K HN -0.326 7.761 8.250 -0.079 0.116 0.446 151 R N -2.226 118.306 120.500 0.054 0.000 2.093 151 R HA -0.210 4.204 4.340 0.123 0.000 0.224 151 R C 2.503 178.886 176.300 0.139 0.000 1.101 151 R CA 2.889 59.058 56.100 0.116 0.000 0.979 151 R CB -0.079 30.315 30.300 0.157 0.000 0.877 151 R HN 0.345 8.622 8.270 0.011 0.000 0.441 152 A N -0.041 122.840 122.820 0.101 0.000 2.032 152 A HA -0.301 4.130 4.320 0.185 0.000 0.221 152 A C 0.818 178.509 177.584 0.178 0.000 1.165 152 A CA 3.236 55.350 52.037 0.129 0.000 0.645 152 A CB -0.858 18.165 19.000 0.038 0.000 0.807 152 A HN 0.075 8.146 8.150 0.048 0.108 0.453 153 E N -3.498 116.782 120.200 0.135 0.000 2.358 153 E HA -0.192 4.300 4.350 0.237 0.000 0.195 153 E C 2.152 178.850 176.600 0.164 0.000 1.010 153 E CA 2.229 58.728 56.400 0.165 0.000 0.856 153 E CB -0.101 29.654 29.700 0.093 0.000 0.795 153 E HN -0.236 8.044 8.360 0.091 0.134 0.504 154 K N -1.127 119.363 120.400 0.150 0.000 2.116 154 K HA -0.165 4.144 4.320 -0.019 0.000 0.203 154 K C 2.557 179.303 176.600 0.244 0.000 1.052 154 K CA 2.041 58.393 56.287 0.108 0.000 0.952 154 K CB 0.055 32.637 32.500 0.136 0.000 0.729 154 K HN 0.174 8.308 8.250 0.154 0.209 0.446 155 I N -0.577 120.201 120.570 0.347 0.000 2.339 155 I HA -0.344 4.104 4.170 0.464 0.000 0.245 155 I C 1.162 177.574 176.117 0.491 0.000 1.096 155 I CA 3.789 65.350 61.300 0.436 0.000 1.408 155 I CB 0.082 38.358 38.000 0.460 0.000 1.092 155 I HN -0.452 7.944 8.210 0.310 0.000 0.423 156 W N 0.062 121.515 121.300 0.255 0.000 2.374 156 W HA -0.373 4.495 4.660 0.346 0.000 0.288 156 W C 1.292 177.936 176.519 0.209 0.000 1.218 156 W CA 2.246 59.738 57.345 0.246 0.000 1.245 156 W CB 0.808 30.344 29.460 0.127 0.000 1.126 156 W HN -0.139 8.366 8.180 0.542 0.000 0.545 157 G N -3.350 105.561 108.800 0.185 0.000 2.511 157 G HA2 -0.272 3.656 3.960 -0.054 0.000 0.217 157 G HA3 -0.272 3.747 3.960 -0.018 -0.070 0.217 157 G C 0.699 175.549 174.900 -0.084 0.000 1.133 157 G CA 0.937 46.032 45.100 -0.009 0.000 0.792 157 G HN -0.536 7.804 8.290 0.273 0.113 0.539 158 F N -0.724 119.158 119.950 -0.112 0.000 2.333 158 F HA -0.243 4.165 4.527 -0.198 0.000 0.300 158 F C -0.009 175.540 175.800 -0.418 0.000 1.083 158 F CA 1.655 59.485 58.000 -0.283 0.000 1.395 158 F CB 0.061 38.820 39.000 -0.401 0.000 1.056 158 F HN -0.680 7.557 8.300 0.139 0.147 0.529 159 F N -5.249 114.718 119.950 0.028 0.000 2.317 159 F HA -0.112 4.391 4.527 -0.041 0.000 0.290 159 F C 0.616 176.315 175.800 -0.169 0.000 1.075 159 F CA 0.706 58.644 58.000 -0.104 0.000 1.380 159 F CB 1.286 40.150 39.000 -0.227 0.000 1.093 159 F HN -1.006 7.190 8.300 0.055 0.137 0.524 160 G N -1.112 107.639 108.800 -0.083 0.000 2.600 160 G HA2 -0.296 3.590 3.960 -0.124 0.000 0.251 160 G HA3 -0.296 3.626 3.960 -0.065 0.000 0.251 160 G C -0.784 173.997 174.900 -0.198 0.000 1.142 160 G CA -0.016 45.011 45.100 -0.123 0.000 0.994 160 G HN -0.550 7.656 8.290 -0.140 0.000 0.511 161 K N 0.253 120.401 120.400 -0.420 0.000 2.616 161 K HA 0.330 4.542 4.320 -0.179 0.000 0.241 161 K C -1.101 175.423 176.600 -0.126 0.000 0.961 161 K CA -1.583 54.473 56.287 -0.384 0.000 0.942 161 K CB 0.990 33.044 32.500 -0.744 0.000 1.153 161 K HN -0.624 7.264 8.250 -0.602 0.000 0.452 162 K N 3.281 123.719 120.400 0.064 0.000 2.476 162 K HA -0.263 4.214 4.320 0.263 0.000 0.263 162 K C 0.954 177.763 176.600 0.348 0.000 1.086 162 K CA 1.014 57.428 56.287 0.213 0.000 0.880 162 K CB 0.306 32.873 32.500 0.112 0.000 1.128 162 K HN -0.214 8.129 8.250 0.013 -0.085 0.497 163 D N -0.973 119.564 120.400 0.230 0.000 2.088 163 D HA -0.243 4.502 4.640 0.175 0.000 0.191 163 D C 1.534 177.929 176.300 0.158 0.000 0.992 163 D CA 3.512 57.613 54.000 0.169 0.000 0.831 163 D CB 0.014 40.863 40.800 0.082 0.000 0.973 163 D HN 0.224 8.695 8.370 0.169 0.000 0.447 164 D N -1.086 119.380 120.400 0.111 0.000 2.941 164 D HA -0.053 4.633 4.640 0.078 0.000 0.236 164 D C -1.112 175.249 176.300 0.102 0.000 1.147 164 D CA 0.631 54.684 54.000 0.087 0.000 0.975 164 D CB -0.867 39.966 40.800 0.055 0.000 1.162 164 D HN 0.091 8.518 8.370 0.095 0.000 0.444 165 D N 0.787 121.286 120.400 0.165 0.000 2.337 165 D HA 0.119 4.811 4.640 0.086 0.000 0.238 165 D C -1.659 174.777 176.300 0.226 0.000 1.331 165 D CA -0.094 53.990 54.000 0.140 0.000 0.967 165 D CB 2.311 43.160 40.800 0.082 0.000 1.382 165 D HN 0.051 8.455 8.370 0.226 0.101 0.549 166 K N 0.870 121.371 120.400 0.168 0.000 2.276 166 K HA -0.041 4.508 4.320 0.382 0.000 0.285 166 K C -0.341 176.333 176.600 0.123 0.000 1.062 166 K CA -0.564 55.847 56.287 0.207 0.000 0.918 166 K CB 0.255 32.829 32.500 0.122 0.000 1.055 166 K HN -0.078 8.239 8.250 0.112 0.000 0.477 167 L N 6.603 127.897 121.223 0.118 0.000 2.534 167 L HA -0.046 4.251 4.340 -0.073 0.000 0.271 167 L C -0.523 176.416 176.870 0.116 0.000 1.178 167 L CA 0.502 55.335 54.840 -0.012 0.000 0.907 167 L CB 0.499 42.449 42.059 -0.182 0.000 1.164 167 L HN 0.082 8.487 8.230 0.291 0.000 0.482 168 T N 2.016 116.610 114.554 0.067 0.000 2.902 168 T HA 0.206 4.646 4.350 0.150 0.000 0.280 168 T C 1.378 175.996 174.700 -0.135 0.000 0.992 168 T CA -2.005 60.123 62.100 0.048 0.000 1.015 168 T CB 2.136 70.991 68.868 -0.022 0.000 1.044 168 T HN -0.373 7.872 8.240 0.009 0.000 0.520 169 E N 2.281 122.123 120.200 -0.596 0.000 2.130 169 E HA -0.509 2.117 4.350 -2.873 0.000 0.196 169 E C 1.340 177.646 176.600 -0.489 0.000 0.998 169 E CA 3.929 59.500 56.400 -1.381 0.000 0.806 169 E CB -0.808 28.196 29.700 -1.161 0.000 0.738 169 E HN 0.664 8.801 8.360 -0.372 0.000 0.459 170 K N 0.039 120.291 120.400 -0.246 0.000 1.975 170 K HA -0.218 4.047 4.320 -0.091 0.000 0.210 170 K C 2.443 179.027 176.600 -0.026 0.000 1.041 170 K CA 2.641 58.867 56.287 -0.101 0.000 0.942 170 K CB -0.769 31.687 32.500 -0.073 0.000 0.729 170 K HN -0.598 7.494 8.250 -0.235 0.017 0.439 171 E N 0.492 120.679 120.200 -0.021 0.000 2.147 171 E HA -0.320 4.035 4.350 0.007 0.000 0.199 171 E C 2.112 178.732 176.600 0.034 0.000 1.005 171 E CA 2.933 59.336 56.400 0.005 0.000 0.810 171 E CB -0.863 28.831 29.700 -0.010 0.000 0.736 171 E HN -0.462 7.874 8.360 -0.041 0.000 0.460 172 F N -0.011 119.873 119.950 -0.110 0.000 2.192 172 F HA -0.335 4.068 4.527 -0.206 0.000 0.301 172 F C 1.272 177.109 175.800 0.062 0.000 1.079 172 F CA 3.299 61.256 58.000 -0.071 0.000 1.303 172 F CB 0.114 39.126 39.000 0.020 0.000 1.024 172 F HN -0.172 8.175 8.300 0.103 0.016 0.494 173 I N -3.796 116.830 120.570 0.093 0.000 2.852 173 I HA -0.294 3.829 4.170 -0.078 0.000 0.264 173 I C 1.643 177.748 176.117 -0.021 0.000 1.179 173 I CA 2.181 63.495 61.300 0.025 0.000 1.480 173 I CB 0.263 38.332 38.000 0.114 0.000 1.111 173 I HN 0.176 8.330 8.210 0.155 0.149 0.441 174 E N 0.396 120.596 120.200 0.000 0.000 2.122 174 E HA -0.242 4.107 4.350 -0.001 0.000 0.190 174 E C 2.555 179.161 176.600 0.011 0.000 0.977 174 E CA 2.696 59.098 56.400 0.004 0.000 0.820 174 E CB -0.110 29.596 29.700 0.010 0.000 0.770 174 E HN -0.436 7.777 8.360 0.015 0.156 0.462 175 G N -1.884 106.950 108.800 0.057 0.000 2.479 175 G HA2 -0.268 3.749 3.960 0.094 0.000 0.220 175 G HA3 -0.268 3.921 3.960 0.381 0.000 0.220 175 G C 0.498 175.396 174.900 -0.003 0.000 1.115 175 G CA 2.696 47.876 45.100 0.132 0.000 0.757 175 G HN 0.868 9.058 8.290 0.052 0.131 0.560 176 T N -2.665 111.859 114.554 -0.051 0.000 3.037 176 T HA -0.104 4.155 4.350 -0.152 0.000 0.252 176 T C 1.090 175.746 174.700 -0.073 0.000 1.073 176 T CA 0.822 62.855 62.100 -0.111 0.000 1.091 176 T CB 0.412 69.188 68.868 -0.154 0.000 0.935 176 T HN -0.718 7.341 8.240 -0.058 0.146 0.488 177 L N 0.785 121.981 121.223 -0.044 0.000 2.093 177 L HA -0.156 4.169 4.340 -0.025 0.000 0.208 177 L C 0.220 177.073 176.870 -0.028 0.000 1.085 177 L CA 2.101 56.925 54.840 -0.027 0.000 0.755 177 L CB -0.360 41.692 42.059 -0.012 0.000 0.904 177 L HN -0.933 7.130 8.230 -0.037 0.145 0.435 178 A N -2.179 120.624 122.820 -0.029 0.000 1.865 178 A HA -0.093 4.216 4.320 -0.019 0.000 0.216 178 A C 0.771 178.332 177.584 -0.039 0.000 1.315 178 A CA 1.639 53.661 52.037 -0.025 0.000 0.605 178 A CB -0.053 18.937 19.000 -0.016 0.000 0.984 178 A HN -0.347 7.787 8.150 -0.027 0.000 0.470 179 N N 0.392 119.060 118.700 -0.054 0.000 2.498 179 N HA -0.152 4.562 4.740 -0.044 0.000 0.277 179 N C -0.111 175.333 175.510 -0.111 0.000 1.208 179 N CA -0.461 52.547 53.050 -0.071 0.000 1.029 179 N CB -0.938 37.502 38.487 -0.079 0.000 1.403 179 N HN 0.031 8.379 8.380 -0.052 0.000 0.500 180 K N 1.069 121.422 120.400 -0.079 0.000 2.699 180 K HA -0.078 4.186 4.320 -0.093 0.000 0.205 180 K C -0.244 176.292 176.600 -0.106 0.000 1.008 180 K CA 1.439 57.676 56.287 -0.084 0.000 1.100 180 K CB -0.664 31.805 32.500 -0.052 0.000 0.878 180 K HN -0.434 7.765 8.250 -0.055 0.018 0.496 181 E N -2.523 117.590 120.200 -0.145 0.000 2.476 181 E HA 0.109 4.389 4.350 -0.117 0.000 0.196 181 E C -0.643 175.771 176.600 -0.309 0.000 1.029 181 E CA 0.359 56.660 56.400 -0.165 0.000 0.896 181 E CB -0.425 29.213 29.700 -0.103 0.000 1.012 181 E HN -0.232 7.972 8.360 -0.154 0.065 0.475 182 I N -0.844 119.510 120.570 -0.360 0.000 2.556 182 I HA -0.304 3.451 4.170 -0.693 0.000 0.251 182 I C 1.259 177.224 176.117 -0.254 0.000 1.105 182 I CA 3.484 64.503 61.300 -0.468 0.000 1.436 182 I CB 0.055 37.764 38.000 -0.486 0.000 1.139 182 I HN -0.686 7.282 8.210 -0.281 0.073 0.438 183 L N -3.391 117.731 121.223 -0.169 0.000 2.149 183 L HA -0.513 3.789 4.340 -0.064 0.000 0.223 183 L C 1.671 178.477 176.870 -0.107 0.000 1.089 183 L CA 3.617 58.397 54.840 -0.099 0.000 0.800 183 L CB -2.196 39.818 42.059 -0.075 0.000 0.897 183 L HN 0.148 8.275 8.230 -0.173 0.000 0.443 184 R N -2.824 117.604 120.500 -0.120 0.000 2.062 184 R HA -0.328 3.949 4.340 -0.106 0.000 0.231 184 R C 1.250 177.489 176.300 -0.101 0.000 1.136 184 R CA 2.402 58.439 56.100 -0.106 0.000 0.948 184 R CB -0.811 29.438 30.300 -0.086 0.000 0.845 184 R HN -0.509 7.659 8.270 -0.134 0.022 0.430 185 L N -1.026 120.133 121.223 -0.107 0.000 1.988 185 L HA -0.206 4.124 4.340 -0.016 0.000 0.207 185 L C 0.948 177.812 176.870 -0.009 0.000 1.071 185 L CA 1.805 56.616 54.840 -0.049 0.000 0.744 185 L CB -0.320 41.696 42.059 -0.072 0.000 0.893 185 L HN -0.251 7.885 8.230 -0.156 0.000 0.433 186 I N -3.931 116.639 120.570 0.001 0.000 2.236 186 I HA -0.418 3.906 4.170 0.256 0.000 0.249 186 I C -0.030 176.107 176.117 0.034 0.000 1.102 186 I CA 1.633 63.011 61.300 0.130 0.000 1.365 186 I CB 0.077 38.183 38.000 0.178 0.000 1.051 186 I HN -0.717 7.446 8.210 -0.078 0.000 0.420 187 Q N -0.202 119.540 119.800 -0.098 0.000 2.262 187 Q HA -0.243 3.843 4.340 -0.422 0.000 0.298 187 Q C 0.793 176.564 176.000 -0.380 0.000 1.083 187 Q CA 0.598 56.178 55.803 -0.372 0.000 0.962 187 Q CB 0.209 28.697 28.738 -0.418 0.000 1.104 187 Q HN -0.802 7.395 8.270 -0.093 0.017 0.376 188 F N 0.985 120.965 119.950 0.051 0.000 2.184 188 F HA -0.320 4.235 4.527 0.045 0.000 0.301 188 F C 0.712 176.518 175.800 0.010 0.000 1.076 188 F CA 0.986 59.026 58.000 0.067 0.000 1.295 188 F CB -0.456 38.678 39.000 0.222 0.000 1.026 188 F HN 0.194 8.207 8.300 -0.480 0.000 0.494 189 E N 0.000 120.021 120.200 -0.298 0.000 2.725 189 E HA 0.000 4.360 4.350 0.017 0.000 0.291 189 E CA 0.000 56.330 56.400 -0.116 0.000 0.976 189 E CB 0.000 29.574 29.700 -0.210 0.000 0.812 189 E HN 0.000 7.708 8.360 -1.038 0.029 0.440