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 1olr_1_A DATA FIRST_RESID 2 DATA SEQUENCE IRSLcELYGY WSGNGYELLN NLWGKDTATS GWQcTYLDGT NNGGIQWSTA DATA SEQUENCE WEWQGAPDNV KSYPYVGKQI QRGRKISDIN SMRTSVSWTY DRTDIRANVA DATA SEQUENCE YDVFTARDPD HPNWGGDYEL MIWLARYGGI YPIGTFHSQV NLAGRTWDLW DATA SEQUENCE TGYNGNMRVY SFLPPSGDIR DFSCDIKDFF NYLERNHGYP AREQNLIVYQ DATA SEQUENCE VGTECFTGGP ARFTCRDFRA DLW 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 2 I HA 0.000 4.153 4.170 -0.029 0.000 0.288 2 I C 0.000 176.090 176.117 -0.045 0.000 1.063 2 I CA 0.000 61.268 61.300 -0.053 0.000 1.566 2 I CB 0.000 37.934 38.000 -0.110 0.000 1.214 3 R N 0.246 120.713 120.500 -0.055 0.000 2.651 3 R HA 0.412 4.759 4.340 0.011 0.000 0.278 3 R C -1.783 174.542 176.300 0.042 0.000 1.010 3 R CA -1.068 55.015 56.100 -0.028 0.000 0.896 3 R CB 3.585 33.814 30.300 -0.117 0.000 1.211 3 R HN -0.494 7.741 8.270 -0.058 0.000 0.456 4 S N 2.807 118.540 115.700 0.055 0.000 2.566 4 S HA 0.322 4.749 4.470 -0.072 0.000 0.324 4 S C -0.589 173.965 174.600 -0.075 0.000 1.081 4 S CA -0.298 57.902 58.200 0.001 0.000 1.105 4 S CB 0.959 64.242 63.200 0.138 0.000 0.981 4 S HN 0.331 8.673 8.310 0.053 0.000 0.464 5 L N 6.295 127.414 121.223 -0.173 0.000 2.417 5 L HA 0.403 4.737 4.340 -0.011 0.000 0.258 5 L C -1.299 175.511 176.870 -0.100 0.000 1.088 5 L CA -0.963 53.828 54.840 -0.082 0.000 0.975 5 L CB -1.125 40.895 42.059 -0.066 0.000 1.341 5 L HN 0.854 8.910 8.230 -0.290 0.000 0.431 6 c N 0.415 119.004 118.600 -0.017 0.000 2.926 6 c HA 0.153 4.742 4.570 0.032 0.000 0.272 6 c C -0.325 173.940 174.090 0.290 0.000 1.249 6 c CA -0.827 55.560 56.329 0.096 0.000 1.691 6 c CB 0.070 42.655 42.510 0.126 0.000 1.983 6 c HN 0.290 8.527 8.230 0.011 0.000 0.615 7 E N -0.333 119.985 120.200 0.197 0.000 2.392 7 E HA -0.039 4.503 4.350 0.320 0.000 0.259 7 E C -0.313 176.429 176.600 0.235 0.000 1.108 7 E CA -0.377 56.173 56.400 0.250 0.000 0.916 7 E CB 0.593 30.391 29.700 0.165 0.000 0.989 7 E HN -0.366 8.073 8.360 0.133 0.000 0.432 8 L N 2.522 123.915 121.223 0.283 0.000 2.513 8 L HA -0.294 3.970 4.340 -0.126 0.000 0.272 8 L C 0.004 176.889 176.870 0.025 0.000 1.187 8 L CA 1.166 56.025 54.840 0.031 0.000 0.895 8 L CB -0.244 41.863 42.059 0.080 0.000 1.147 8 L HN 0.188 8.635 8.230 0.361 0.000 0.483 9 Y N -0.980 119.366 120.300 0.076 0.000 4.177 9 Y HA -0.352 4.318 4.550 0.046 -0.092 0.227 9 Y C -0.073 175.884 175.900 0.095 0.000 1.154 9 Y CA 1.001 59.143 58.100 0.071 0.000 1.887 9 Y CB -3.296 35.210 38.460 0.077 0.000 1.594 9 Y HN 0.088 8.160 8.280 -0.347 0.000 0.668 10 G N -2.296 106.611 108.800 0.178 0.000 2.353 10 G HA2 -0.192 3.835 3.960 0.112 0.000 0.239 10 G HA3 -0.192 3.881 3.960 0.188 0.000 0.239 10 G C -2.490 172.532 174.900 0.204 0.000 1.295 10 G CA 0.112 45.311 45.100 0.165 0.000 0.884 10 G HN -0.198 8.040 8.290 0.117 0.121 0.537 11 Y N 5.349 125.695 120.300 0.076 0.000 2.524 11 Y HA 0.845 5.625 4.550 0.044 -0.204 0.347 11 Y C -2.149 173.846 175.900 0.158 0.000 1.005 11 Y CA -1.735 56.410 58.100 0.076 0.000 1.025 11 Y CB 4.273 42.765 38.460 0.053 0.000 1.275 11 Y HN -0.033 8.418 8.280 0.284 0.000 0.460 12 W N 6.678 127.528 121.300 -0.750 0.000 3.127 12 W HA 0.340 4.801 4.660 -0.330 0.000 0.330 12 W C -3.084 172.955 176.519 -0.801 0.000 1.187 12 W CA -1.157 55.861 57.345 -0.546 0.000 1.198 12 W CB 3.907 33.203 29.460 -0.274 0.000 1.408 12 W HN 0.116 7.878 8.180 -0.697 0.000 0.529 13 S N 2.337 117.080 115.700 -1.594 0.000 2.546 13 S HA 0.881 4.586 4.470 -1.507 -0.139 0.274 13 S C -1.571 171.916 174.600 -1.855 0.000 1.121 13 S CA -1.506 55.783 58.200 -1.519 0.000 0.887 13 S CB 3.418 66.262 63.200 -0.594 0.000 1.094 13 S HN 0.041 7.446 8.310 -1.508 0.000 0.474 14 G N -1.271 106.675 108.800 -1.424 0.000 2.442 14 G HA2 0.087 3.755 3.960 -0.487 0.000 0.296 14 G HA3 0.087 3.812 3.960 -0.391 0.000 0.296 14 G C -1.974 172.873 174.900 -0.088 0.000 1.564 14 G CA 0.274 45.013 45.100 -0.602 0.000 0.828 14 G HN 0.534 8.142 8.290 -1.136 0.000 0.571 15 N N -0.440 118.292 118.700 0.053 0.000 2.725 15 N HA -0.482 4.322 4.740 0.107 0.000 0.249 15 N C 0.108 175.668 175.510 0.083 0.000 1.103 15 N CA 1.126 54.269 53.050 0.154 0.000 0.707 15 N CB -0.861 37.827 38.487 0.335 0.000 1.043 15 N HN 0.618 9.010 8.380 0.021 0.000 0.553 16 G N -7.409 101.357 108.800 -0.057 0.000 2.148 16 G HA2 -0.475 3.338 3.960 -0.245 0.000 0.254 16 G HA3 -0.475 3.502 3.960 -0.144 -0.103 0.254 16 G C -1.218 173.502 174.900 -0.300 0.000 0.981 16 G CA 0.437 45.425 45.100 -0.188 0.000 0.670 16 G HN 0.428 8.656 8.290 -0.070 0.021 0.528 17 Y N -0.849 119.442 120.300 -0.015 0.000 2.598 17 Y HA 0.851 5.608 4.550 0.060 -0.172 0.340 17 Y C -1.868 173.978 175.900 -0.091 0.000 1.038 17 Y CA -1.796 56.330 58.100 0.044 0.000 1.100 17 Y CB 4.264 42.849 38.460 0.208 0.000 1.281 17 Y HN -0.497 7.692 8.280 0.107 0.155 0.488 18 E N -2.496 117.812 120.200 0.181 0.000 2.429 18 E HA 0.788 5.145 4.350 -0.231 -0.146 0.276 18 E C -2.340 174.267 176.600 0.010 0.000 0.953 18 E CA -2.157 54.223 56.400 -0.033 0.000 0.787 18 E CB 4.639 34.343 29.700 0.008 0.000 1.307 18 E HN 0.584 9.111 8.360 0.278 0.000 0.458 19 L N 0.887 122.014 121.223 -0.160 0.000 2.464 19 L HA 0.912 5.191 4.340 -0.454 -0.212 0.266 19 L C -2.742 173.916 176.870 -0.353 0.000 0.965 19 L CA -0.591 54.065 54.840 -0.307 0.000 0.833 19 L CB 4.661 46.606 42.059 -0.190 0.000 1.296 19 L HN 0.473 8.496 8.230 -0.346 0.000 0.405 20 L N 4.372 125.266 121.223 -0.549 0.000 2.438 20 L HA 0.652 5.117 4.340 -0.108 -0.190 0.270 20 L C -2.074 174.590 176.870 -0.343 0.000 0.972 20 L CA -1.086 53.536 54.840 -0.363 0.000 0.831 20 L CB 3.933 45.705 42.059 -0.478 0.000 1.273 20 L HN -0.011 7.747 8.230 -0.786 0.000 0.405 21 N N 6.878 125.494 118.700 -0.140 0.000 2.819 21 N HA -0.118 4.518 4.740 -0.173 0.000 0.284 21 N C -1.522 173.912 175.510 -0.127 0.000 1.196 21 N CA -0.153 52.812 53.050 -0.143 0.000 1.114 21 N CB -0.617 37.800 38.487 -0.116 0.000 1.437 21 N HN 0.173 8.519 8.380 -0.057 0.000 0.518 22 N N 4.227 122.863 118.700 -0.107 0.000 3.124 22 N HA 0.020 4.915 4.740 0.257 0.000 0.284 22 N C -1.167 174.350 175.510 0.011 0.000 1.209 22 N CA -0.994 52.114 53.050 0.097 0.000 1.149 22 N CB -0.138 38.452 38.487 0.170 0.000 1.434 22 N HN -0.371 7.894 8.380 -0.169 0.013 0.529 23 L N 3.248 124.303 121.223 -0.280 0.000 2.796 23 L HA 0.288 4.453 4.340 -0.436 -0.086 0.235 23 L C 0.956 177.595 176.870 -0.384 0.000 1.344 23 L CA -1.213 53.374 54.840 -0.421 0.000 1.245 23 L CB -2.486 39.266 42.059 -0.512 0.000 1.556 23 L HN -0.123 7.812 8.230 -0.441 0.030 0.423 24 W N -0.189 121.018 121.300 -0.155 0.000 2.425 24 W HA 0.073 4.796 4.660 0.105 0.000 0.277 24 W C -0.100 176.356 176.519 -0.104 0.000 1.231 24 W CA 0.935 58.281 57.345 0.000 0.000 1.248 24 W CB -0.451 29.091 29.460 0.136 0.000 1.117 24 W HN -0.336 7.804 8.180 0.023 0.053 0.568 25 G N -1.177 107.070 108.800 -0.922 0.000 3.575 25 G HA2 0.268 3.567 3.960 -1.443 0.000 0.273 25 G HA3 0.268 4.039 3.960 -0.486 -0.103 0.273 25 G C -0.520 173.954 174.900 -0.710 0.000 1.053 25 G CA -0.561 43.985 45.100 -0.923 0.000 0.803 25 G HN -0.270 7.100 8.290 -1.324 0.125 0.528 26 K N 0.319 120.346 120.400 -0.621 0.000 2.362 26 K HA -0.269 3.483 4.320 -0.947 0.000 0.200 26 K C 1.128 177.550 176.600 -0.296 0.000 1.046 26 K CA 2.587 58.505 56.287 -0.616 0.000 0.952 26 K CB -0.716 31.520 32.500 -0.440 0.000 0.753 26 K HN -0.820 7.058 8.250 -0.533 0.053 0.466 27 D N -2.693 117.595 120.400 -0.186 0.000 2.190 27 D HA -0.317 4.305 4.640 -0.030 0.000 0.200 27 D C 0.958 177.205 176.300 -0.088 0.000 0.992 27 D CA 2.410 56.362 54.000 -0.080 0.000 0.854 27 D CB -1.174 39.599 40.800 -0.045 0.000 0.936 27 D HN 0.461 8.684 8.370 -0.190 0.033 0.462 28 T N -4.646 109.808 114.554 -0.166 0.000 3.113 28 T HA -0.075 4.227 4.350 -0.080 0.000 0.256 28 T C -0.100 174.534 174.700 -0.111 0.000 1.131 28 T CA 0.577 62.597 62.100 -0.133 0.000 1.074 28 T CB 0.607 69.371 68.868 -0.173 0.000 0.944 28 T HN -0.563 7.489 8.240 -0.247 0.039 0.516 29 A N 1.661 124.401 122.820 -0.133 0.000 2.340 29 A HA 0.114 4.544 4.320 -0.001 -0.111 0.268 29 A C 0.477 178.114 177.584 0.087 0.000 1.100 29 A CA -0.438 51.595 52.037 -0.007 0.000 0.803 29 A CB 1.403 20.437 19.000 0.057 0.000 1.043 29 A HN -0.424 7.411 8.150 -0.192 0.199 0.488 30 T N -2.365 112.261 114.554 0.121 0.000 3.057 30 T HA 0.019 4.425 4.350 0.093 0.000 0.254 30 T C 0.283 175.071 174.700 0.146 0.000 1.094 30 T CA 0.370 62.537 62.100 0.112 0.000 1.088 30 T CB 0.685 69.604 68.868 0.086 0.000 0.934 30 T HN 0.075 8.393 8.240 0.130 0.000 0.497 31 S N -0.406 115.424 115.700 0.216 0.000 2.595 31 S HA 0.192 4.784 4.470 0.203 0.000 0.270 31 S C -2.204 172.585 174.600 0.314 0.000 1.145 31 S CA -0.499 57.830 58.200 0.215 0.000 0.825 31 S CB 1.568 64.848 63.200 0.133 0.000 1.107 31 S HN -0.951 7.516 8.310 0.262 0.000 0.461 32 G N 0.485 109.406 108.800 0.202 0.000 2.408 32 G HA2 -0.105 3.952 3.960 -0.087 0.000 0.682 32 G HA3 -0.105 3.796 3.960 -0.067 0.019 0.682 32 G C -2.567 172.237 174.900 -0.160 0.000 1.303 32 G CA -0.385 44.695 45.100 -0.033 0.000 0.966 32 G HN 0.025 8.415 8.290 0.167 0.000 0.560 33 W N -1.102 119.618 121.300 -0.967 0.000 2.895 33 W HA 0.252 4.375 4.660 -0.895 0.000 0.377 33 W C -3.144 172.914 176.519 -0.768 0.000 1.191 33 W CA -1.222 55.639 57.345 -0.807 0.000 1.179 33 W CB 3.828 33.125 29.460 -0.271 0.000 1.469 33 W HN -0.109 7.631 8.180 -0.734 0.000 0.577 34 Q N 0.318 119.588 119.800 -0.883 0.000 2.438 34 Q HA 0.520 4.941 4.340 -0.176 -0.187 0.272 34 Q C -2.598 173.198 176.000 -0.339 0.000 0.994 34 Q CA -0.188 55.365 55.803 -0.418 0.000 0.887 34 Q CB 3.788 32.373 28.738 -0.255 0.000 1.432 34 Q HN 0.132 7.391 8.270 -1.686 0.000 0.392 35 c N 4.524 123.063 118.600 -0.102 0.000 2.634 35 c HA 0.500 4.952 4.570 -0.197 0.000 0.313 35 c C -1.993 171.941 174.090 -0.260 0.000 1.198 35 c CA -2.087 54.119 56.329 -0.204 0.000 1.605 35 c CB 3.726 46.079 42.510 -0.263 0.000 2.196 35 c HN 0.518 8.749 8.230 0.002 0.000 0.486 36 T N 7.960 122.303 114.554 -0.352 0.000 2.807 36 T HA 0.664 5.186 4.350 0.029 -0.154 0.279 36 T C -1.599 172.899 174.700 -0.336 0.000 0.993 36 T CA -0.450 61.550 62.100 -0.166 0.000 0.970 36 T CB 2.013 70.840 68.868 -0.068 0.000 0.950 36 T HN 0.176 8.204 8.240 -0.354 0.000 0.441 37 Y N 4.958 125.334 120.300 0.126 0.000 2.364 37 Y HA 0.513 5.232 4.550 0.014 -0.161 0.340 37 Y C -1.163 174.761 175.900 0.039 0.000 0.975 37 Y CA -1.412 56.718 58.100 0.051 0.000 1.089 37 Y CB 3.111 41.590 38.460 0.032 0.000 1.192 37 Y HN 1.038 9.513 8.280 0.326 0.000 0.454 38 L N 3.224 124.471 121.223 0.039 0.000 2.260 38 L HA 0.203 4.494 4.340 -0.080 0.000 0.289 38 L C -1.201 175.623 176.870 -0.077 0.000 1.057 38 L CA -0.685 54.071 54.840 -0.139 0.000 0.811 38 L CB 1.025 42.769 42.059 -0.525 0.000 1.184 38 L HN 0.120 8.349 8.230 -0.003 0.000 0.429 39 D N 8.025 128.407 120.400 -0.030 0.000 2.338 39 D HA 0.177 4.793 4.640 -0.041 0.000 0.208 39 D C 0.115 176.373 176.300 -0.070 0.000 0.997 39 D CA 1.586 55.561 54.000 -0.041 0.000 0.880 39 D CB 1.637 42.418 40.800 -0.031 0.000 0.980 39 D HN 0.372 8.749 8.370 0.013 0.000 0.509 40 G N -1.981 106.763 108.800 -0.093 0.000 2.387 40 G HA2 0.010 4.013 3.960 -0.050 0.000 0.294 40 G HA3 0.010 3.917 3.960 -0.088 0.000 0.294 40 G C -2.366 172.482 174.900 -0.086 0.000 1.509 40 G CA 0.481 45.532 45.100 -0.081 0.000 0.806 40 G HN -0.673 7.555 8.290 -0.104 0.000 0.546 41 T N -2.251 112.279 114.554 -0.040 0.000 3.584 41 T HA 0.356 4.852 4.350 -0.003 -0.147 0.259 41 T C -0.632 174.095 174.700 0.044 0.000 1.009 41 T CA -1.658 60.450 62.100 0.014 0.000 1.103 41 T CB -0.086 68.836 68.868 0.090 0.000 1.099 41 T HN 0.009 8.234 8.240 -0.025 0.000 0.539 42 N N 3.993 122.708 118.700 0.024 0.000 2.525 42 N HA 0.032 4.794 4.740 0.037 0.000 0.271 42 N C -0.138 175.397 175.510 0.041 0.000 1.194 42 N CA 0.659 53.728 53.050 0.031 0.000 0.964 42 N CB 0.687 39.184 38.487 0.016 0.000 1.126 42 N HN -0.200 8.511 8.380 0.010 -0.325 0.452 43 N N -0.515 118.213 118.700 0.046 0.000 2.727 43 N HA -0.341 4.429 4.740 0.049 0.000 0.249 43 N C 0.075 175.625 175.510 0.066 0.000 1.048 43 N CA 0.774 53.854 53.050 0.049 0.000 0.714 43 N CB -1.412 37.098 38.487 0.038 0.000 0.959 43 N HN 0.626 9.033 8.380 0.045 0.000 0.544 44 G N -7.779 101.076 108.800 0.091 0.000 2.168 44 G HA2 -0.416 3.617 3.960 0.122 0.000 0.263 44 G HA3 -0.416 3.642 3.960 0.163 0.000 0.263 44 G C -0.828 174.164 174.900 0.154 0.000 0.977 44 G CA 0.269 45.450 45.100 0.135 0.000 0.659 44 G HN 0.476 8.822 8.290 0.093 0.000 0.533 45 G N -2.673 106.167 108.800 0.067 0.000 3.108 45 G HA2 0.871 4.847 3.960 -0.026 0.000 0.268 45 G HA3 0.871 4.811 3.960 -0.118 -0.051 0.268 45 G C -2.507 172.325 174.900 -0.114 0.000 1.361 45 G CA -1.635 43.435 45.100 -0.050 0.000 1.047 45 G HN -0.519 7.753 8.290 0.060 0.054 0.540 46 I N -2.716 117.769 120.570 -0.141 0.000 2.545 46 I HA 0.423 4.691 4.170 -0.062 -0.135 0.292 46 I C -1.803 174.394 176.117 0.133 0.000 1.040 46 I CA -2.870 58.399 61.300 -0.052 0.000 1.068 46 I CB 2.485 40.402 38.000 -0.138 0.000 1.251 46 I HN 0.016 8.164 8.210 -0.103 0.000 0.424 47 Q N 5.562 125.421 119.800 0.098 0.000 2.331 47 Q HA 0.634 5.179 4.340 0.115 -0.136 0.267 47 Q C -0.970 175.136 176.000 0.175 0.000 1.006 47 Q CA -1.184 54.680 55.803 0.101 0.000 0.818 47 Q CB 2.392 31.135 28.738 0.008 0.000 1.276 47 Q HN 0.304 8.592 8.270 0.029 0.000 0.450 48 W N 1.734 122.980 121.300 -0.090 0.000 3.005 48 W HA 0.702 5.483 4.660 -0.077 -0.168 0.343 48 W C -3.044 173.445 176.519 -0.049 0.000 1.243 48 W CA -1.614 55.687 57.345 -0.074 0.000 1.186 48 W CB 3.058 32.470 29.460 -0.080 0.000 1.453 48 W HN 0.481 8.624 8.180 -0.062 0.000 0.575 49 S N -2.796 112.989 115.700 0.141 0.000 2.625 49 S HA 0.736 5.052 4.470 -0.441 -0.111 0.271 49 S C -1.709 173.063 174.600 0.287 0.000 1.161 49 S CA -0.688 57.471 58.200 -0.068 0.000 0.820 49 S CB 3.537 66.697 63.200 -0.067 0.000 1.137 49 S HN 0.492 9.055 8.310 0.421 0.000 0.470 50 T N 0.983 115.679 114.554 0.238 0.000 3.032 50 T HA 0.614 5.340 4.350 0.379 -0.149 0.312 50 T C -2.643 172.280 174.700 0.372 0.000 1.078 50 T CA -1.067 61.243 62.100 0.349 0.000 1.028 50 T CB 2.092 71.161 68.868 0.335 0.000 1.091 50 T HN 0.453 8.772 8.240 0.131 0.000 0.457 51 A N 7.511 130.556 122.820 0.375 0.000 2.337 51 A HA 1.079 5.714 4.320 0.198 -0.196 0.329 51 A C -2.174 175.592 177.584 0.303 0.000 1.146 51 A CA -2.003 50.198 52.037 0.272 0.000 0.800 51 A CB 3.350 22.486 19.000 0.226 0.000 1.220 51 A HN 0.098 8.476 8.150 0.380 0.000 0.472 52 W N -2.304 118.985 121.300 -0.018 0.000 3.059 52 W HA 0.784 5.420 4.660 -0.296 -0.154 0.329 52 W C -2.988 173.406 176.519 -0.208 0.000 1.246 52 W CA -1.448 55.781 57.345 -0.193 0.000 1.190 52 W CB 2.599 31.968 29.460 -0.151 0.000 1.423 52 W HN 0.547 8.645 8.180 -0.137 0.000 0.571 53 E N -3.242 116.872 120.200 -0.145 0.000 2.321 53 E HA 0.739 5.264 4.350 -0.027 -0.191 0.281 53 E C -2.562 173.933 176.600 -0.174 0.000 0.910 53 E CA -0.822 55.517 56.400 -0.101 0.000 0.770 53 E CB 3.406 33.029 29.700 -0.129 0.000 1.225 53 E HN 0.074 8.201 8.360 -0.388 0.000 0.417 54 W N 0.812 122.332 121.300 0.366 0.000 3.022 54 W HA 0.379 5.303 4.660 0.178 -0.157 0.335 54 W C -1.708 174.916 176.519 0.174 0.000 1.133 54 W CA -1.405 56.079 57.345 0.233 0.000 1.219 54 W CB 4.082 33.647 29.460 0.176 0.000 1.409 54 W HN 0.578 9.070 8.180 0.519 0.000 0.507 55 Q N -0.273 119.769 119.800 0.403 0.000 2.413 55 Q HA 0.484 4.966 4.340 0.235 0.000 0.276 55 Q C -0.352 175.763 176.000 0.192 0.000 1.099 55 Q CA -2.143 53.807 55.803 0.246 0.000 0.814 55 Q CB 3.945 32.785 28.738 0.171 0.000 1.379 55 Q HN 0.354 8.886 8.270 0.437 0.000 0.436 56 G N -1.533 107.348 108.800 0.134 0.000 2.712 56 G HA2 -0.314 3.693 3.960 0.078 0.000 0.686 56 G HA3 -0.314 3.693 3.960 0.077 0.000 0.686 56 G C -1.731 173.205 174.900 0.061 0.000 1.181 56 G CA -0.494 44.657 45.100 0.086 0.000 0.762 56 G HN 0.091 8.460 8.290 0.132 0.000 0.641 57 A N -0.413 122.435 122.820 0.047 0.000 2.303 57 A HA -0.263 4.083 4.320 0.042 0.000 0.286 57 A C -1.151 176.476 177.584 0.071 0.000 1.429 57 A CA 0.105 52.163 52.037 0.035 0.000 0.738 57 A CB -1.243 17.749 19.000 -0.014 0.000 1.149 57 A HN 0.315 8.494 8.150 0.049 0.000 0.364 58 P HA -0.143 4.383 4.420 0.176 0.000 0.225 58 P C -0.557 176.880 177.300 0.229 0.000 1.148 58 P CA 1.282 64.474 63.100 0.153 0.000 0.779 58 P CB -0.122 31.645 31.700 0.111 0.000 0.780 59 D N -4.854 115.666 120.400 0.200 0.000 2.339 59 D HA 0.029 4.868 4.640 0.332 0.000 0.217 59 D C -0.489 175.976 176.300 0.274 0.000 1.050 59 D CA 0.132 54.292 54.000 0.265 0.000 0.856 59 D CB -0.216 40.684 40.800 0.167 0.000 0.922 59 D HN 0.219 8.635 8.370 0.142 0.039 0.518 60 N N 0.767 119.542 118.700 0.125 0.000 2.408 60 N HA 0.159 4.843 4.740 -0.094 0.000 0.280 60 N C -1.353 173.883 175.510 -0.457 0.000 1.002 60 N CA -0.271 52.707 53.050 -0.120 0.000 0.907 60 N CB 2.348 40.743 38.487 -0.153 0.000 1.161 60 N HN -0.231 8.057 8.380 0.119 0.163 0.488 61 V N 5.520 124.960 119.914 -0.789 0.000 2.585 61 V HA -0.353 2.878 4.120 -1.483 0.000 0.296 61 V C 0.412 175.805 176.094 -1.169 0.000 1.035 61 V CA 1.843 63.438 62.300 -1.175 0.000 1.084 61 V CB -0.042 31.249 31.823 -0.887 0.000 0.953 61 V HN 0.692 8.533 8.190 -0.582 0.000 0.483 62 K N 5.318 125.026 120.400 -1.153 0.000 2.242 62 K HA 0.163 3.795 4.320 -1.262 -0.069 0.200 62 K C 0.305 176.101 176.600 -1.340 0.000 1.050 62 K CA -0.056 55.423 56.287 -1.347 0.000 0.981 62 K CB 1.032 32.415 32.500 -1.861 0.000 0.795 62 K HN 0.550 8.169 8.250 -1.052 0.000 0.477 63 S N -3.440 111.623 115.700 -1.062 0.000 2.588 63 S HA 0.387 4.540 4.470 -0.739 -0.127 0.269 63 S C -2.191 172.269 174.600 -0.233 0.000 1.157 63 S CA -0.840 56.961 58.200 -0.665 0.000 0.824 63 S CB 2.781 65.721 63.200 -0.435 0.000 1.126 63 S HN -0.748 6.984 8.310 -0.965 0.000 0.464 64 Y N 1.428 121.701 120.300 -0.044 0.000 2.516 64 Y HA 0.713 5.448 4.550 -0.088 -0.238 0.329 64 Y C -2.702 173.258 175.900 0.101 0.000 1.095 64 Y CA -2.759 55.375 58.100 0.057 0.000 1.213 64 Y CB 1.226 39.830 38.460 0.241 0.000 1.109 64 Y HN 0.262 8.667 8.280 0.208 0.000 0.630 65 P HA 0.168 4.566 4.420 -0.338 -0.180 0.266 65 P C -2.241 174.785 177.300 -0.457 0.000 1.195 65 P CA -0.017 62.911 63.100 -0.286 0.000 0.768 65 P CB 0.712 32.367 31.700 -0.074 0.000 0.838 66 Y N -1.786 118.146 120.300 -0.614 0.000 2.609 66 Y HA 0.618 4.844 4.550 -0.759 -0.131 0.336 66 Y C -2.769 172.566 175.900 -0.941 0.000 1.129 66 Y CA -2.229 55.395 58.100 -0.794 0.000 1.040 66 Y CB 2.749 40.785 38.460 -0.707 0.000 1.310 66 Y HN -0.377 7.360 8.280 -0.904 0.000 0.460 67 V N 1.547 121.024 119.914 -0.728 0.000 2.472 67 V HA 0.821 4.872 4.120 -0.453 -0.204 0.290 67 V C -1.591 174.445 176.094 -0.097 0.000 1.037 67 V CA -3.081 58.895 62.300 -0.540 0.000 0.908 67 V CB 3.177 34.509 31.823 -0.818 0.000 0.985 67 V HN -0.033 7.753 8.190 -0.674 0.000 0.454 68 G N 5.691 114.592 108.800 0.168 0.000 2.524 68 G HA2 0.517 4.586 3.960 0.181 0.000 0.310 68 G HA3 0.517 4.691 3.960 0.104 -0.151 0.310 68 G C -3.195 171.863 174.900 0.262 0.000 1.279 68 G CA -1.189 44.021 45.100 0.183 0.000 0.974 68 G HN 0.569 8.973 8.290 0.190 0.000 0.484 69 K N 2.934 123.411 120.400 0.128 0.000 2.276 69 K HA 0.239 4.477 4.320 -0.137 0.000 0.285 69 K C -0.196 176.392 176.600 -0.020 0.000 1.062 69 K CA -1.383 54.863 56.287 -0.069 0.000 0.918 69 K CB 0.651 32.933 32.500 -0.364 0.000 1.055 69 K HN 0.007 8.291 8.250 0.056 0.000 0.477 70 Q N 6.529 126.295 119.800 -0.058 0.000 2.337 70 Q HA -0.123 4.242 4.340 0.041 0.000 0.270 70 Q C -0.673 175.328 176.000 0.002 0.000 1.002 70 Q CA 1.318 57.118 55.803 -0.005 0.000 0.888 70 Q CB 0.684 29.406 28.738 -0.027 0.000 1.222 70 Q HN -0.067 8.126 8.270 -0.128 0.000 0.400 71 I N -2.590 118.002 120.570 0.038 0.000 2.969 71 I HA 0.198 4.389 4.170 0.036 0.000 0.307 71 I C -1.251 174.884 176.117 0.031 0.000 1.149 71 I CA -1.922 59.406 61.300 0.046 0.000 1.008 71 I CB 2.209 40.261 38.000 0.087 0.000 1.232 71 I HN -0.077 8.161 8.210 0.046 0.000 0.435 72 Q N 2.010 121.824 119.800 0.024 0.000 2.293 72 Q HA 0.127 4.473 4.340 0.011 0.000 0.251 72 Q C -0.194 175.815 176.000 0.014 0.000 0.930 72 Q CA -0.586 55.225 55.803 0.015 0.000 0.893 72 Q CB 1.034 29.779 28.738 0.012 0.000 1.215 72 Q HN 0.166 8.453 8.270 0.027 0.000 0.425 73 R N 0.725 121.229 120.500 0.007 0.000 2.679 73 R HA -0.201 4.143 4.340 0.007 0.000 0.269 73 R C 1.242 177.541 176.300 -0.001 0.000 1.076 73 R CA 0.800 56.902 56.100 0.003 0.000 1.160 73 R CB 0.406 30.704 30.300 -0.003 0.000 1.054 73 R HN 0.154 8.426 8.270 0.004 0.000 0.507 74 G N -0.099 108.698 108.800 -0.005 0.000 2.132 74 G HA2 -0.429 3.525 3.960 -0.010 0.000 0.234 74 G HA3 -0.429 3.666 3.960 -0.013 -0.142 0.234 74 G C -0.727 174.163 174.900 -0.017 0.000 0.989 74 G CA -0.130 44.964 45.100 -0.011 0.000 0.676 74 G HN 0.616 8.903 8.290 -0.004 0.000 0.522 75 R N 0.338 120.826 120.500 -0.019 0.000 2.196 75 R HA 0.186 4.510 4.340 -0.026 0.000 0.340 75 R C -0.587 175.679 176.300 -0.057 0.000 1.043 75 R CA -1.890 54.192 56.100 -0.031 0.000 0.883 75 R CB 0.319 30.605 30.300 -0.025 0.000 1.078 75 R HN -0.101 8.160 8.270 -0.015 0.000 0.462 76 K N 5.605 125.968 120.400 -0.061 0.000 2.401 76 K HA 0.021 4.503 4.320 -0.089 -0.216 0.278 76 K C 1.997 178.521 176.600 -0.127 0.000 1.018 76 K CA -0.498 55.737 56.287 -0.086 0.000 0.981 76 K CB 0.188 32.644 32.500 -0.074 0.000 0.933 76 K HN 0.385 8.606 8.250 -0.049 0.000 0.477 77 I N 4.853 125.312 120.570 -0.184 0.000 2.264 77 I HA -0.400 3.571 4.170 -0.332 0.000 0.248 77 I C 1.338 177.334 176.117 -0.201 0.000 1.111 77 I CA 2.028 63.152 61.300 -0.293 0.000 1.382 77 I CB -1.671 36.057 38.000 -0.453 0.000 1.060 77 I HN 0.366 8.470 8.210 -0.176 0.000 0.418 78 S N -2.263 113.356 115.700 -0.134 0.000 2.442 78 S HA -0.225 4.199 4.470 -0.077 0.000 0.236 78 S C 0.646 175.208 174.600 -0.065 0.000 1.007 78 S CA 2.300 60.449 58.200 -0.086 0.000 0.965 78 S CB -0.018 63.140 63.200 -0.071 0.000 0.773 78 S HN -0.510 7.715 8.310 -0.131 0.007 0.504 79 D N 0.443 120.803 120.400 -0.066 0.000 2.368 79 D HA 0.209 4.834 4.640 -0.024 0.000 0.218 79 D C -1.279 175.001 176.300 -0.034 0.000 1.112 79 D CA -0.103 53.874 54.000 -0.038 0.000 0.834 79 D CB 0.765 41.547 40.800 -0.029 0.000 0.953 79 D HN -0.468 7.711 8.370 -0.080 0.143 0.505 80 I N 0.771 121.299 120.570 -0.071 0.000 2.304 80 I HA 0.053 4.199 4.170 -0.040 0.000 0.291 80 I C -1.371 174.701 176.117 -0.075 0.000 1.018 80 I CA -0.346 60.907 61.300 -0.078 0.000 1.260 80 I CB 0.450 38.364 38.000 -0.142 0.000 1.390 80 I HN -0.583 7.402 8.210 -0.100 0.165 0.475 81 N N 6.505 125.188 118.700 -0.029 0.000 2.250 81 N HA -0.252 4.487 4.740 -0.002 0.000 0.181 81 N C -0.578 174.856 175.510 -0.127 0.000 1.017 81 N CA 1.976 55.021 53.050 -0.007 0.000 0.866 81 N CB 0.742 39.322 38.487 0.154 0.000 0.985 81 N HN 0.536 8.727 8.380 0.017 0.199 0.429 82 S N -3.720 111.764 115.700 -0.360 0.000 2.537 82 S HA 0.109 4.485 4.470 -0.334 -0.106 0.270 82 S C -2.229 172.007 174.600 -0.608 0.000 1.142 82 S CA -0.490 57.381 58.200 -0.548 0.000 0.870 82 S CB 1.780 64.475 63.200 -0.840 0.000 1.112 82 S HN -0.738 7.338 8.310 -0.389 0.000 0.466 83 M N 4.616 123.965 119.600 -0.418 0.000 2.389 83 M HA 0.390 4.885 4.480 -0.273 -0.179 0.206 83 M C -1.163 175.020 176.300 -0.196 0.000 0.976 83 M CA -0.631 54.488 55.300 -0.302 0.000 0.648 83 M CB 1.881 34.258 32.600 -0.371 0.000 1.474 83 M HN 0.700 9.180 8.290 -0.335 -0.392 0.398 84 R N 2.509 122.842 120.500 -0.279 0.000 2.389 84 R HA 0.437 4.879 4.340 -0.137 -0.185 0.295 84 R C -0.698 175.588 176.300 -0.023 0.000 1.075 84 R CA 0.298 56.305 56.100 -0.156 0.000 1.005 84 R CB 1.070 31.267 30.300 -0.170 0.000 0.987 84 R HN 0.154 8.136 8.270 -0.479 0.000 0.452 85 T N 3.780 118.329 114.554 -0.008 0.000 2.868 85 T HA 0.636 5.117 4.350 0.005 -0.128 0.306 85 T C -2.237 172.503 174.700 0.067 0.000 1.224 85 T CA -1.631 60.504 62.100 0.057 0.000 1.012 85 T CB 2.338 71.352 68.868 0.244 0.000 1.221 85 T HN 0.400 8.607 8.240 -0.056 0.000 0.499 86 S N 3.871 119.645 115.700 0.123 0.000 2.546 86 S HA 0.890 5.643 4.470 0.205 -0.160 0.274 86 S C -2.582 172.240 174.600 0.370 0.000 1.121 86 S CA -1.203 57.116 58.200 0.198 0.000 0.887 86 S CB 3.460 66.718 63.200 0.097 0.000 1.094 86 S HN 0.429 8.763 8.310 0.039 0.000 0.474 87 V N 1.006 121.214 119.914 0.489 0.000 2.932 87 V HA 0.831 5.462 4.120 0.499 -0.211 0.307 87 V C -2.757 173.606 176.094 0.449 0.000 1.147 87 V CA -2.002 60.631 62.300 0.554 0.000 0.951 87 V CB 4.603 36.851 31.823 0.710 0.000 1.031 87 V HN 0.510 8.986 8.190 0.476 0.000 0.426 88 S N 7.179 123.076 115.700 0.329 0.000 2.561 88 S HA 0.919 5.662 4.470 0.122 -0.200 0.303 88 S C -1.532 173.150 174.600 0.137 0.000 1.110 88 S CA -1.552 56.745 58.200 0.163 0.000 1.034 88 S CB 1.610 64.852 63.200 0.070 0.000 1.010 88 S HN 0.227 8.722 8.310 0.309 0.000 0.482 89 W N 3.982 125.258 121.300 -0.039 0.000 3.042 89 W HA 1.011 5.593 4.660 -0.377 -0.148 0.342 89 W C -2.404 174.022 176.519 -0.155 0.000 1.240 89 W CA -1.745 55.460 57.345 -0.233 0.000 1.166 89 W CB 3.107 32.416 29.460 -0.251 0.000 1.469 89 W HN 0.590 8.546 8.180 -0.375 0.000 0.579 90 T N -5.628 108.901 114.554 -0.041 0.000 2.883 90 T HA 0.305 4.581 4.350 -0.122 0.000 0.301 90 T C -2.452 172.408 174.700 0.268 0.000 1.158 90 T CA -1.674 60.435 62.100 0.014 0.000 1.007 90 T CB 3.508 72.317 68.868 -0.099 0.000 1.186 90 T HN 0.478 8.622 8.240 -0.160 0.000 0.499 91 Y N 1.221 121.771 120.300 0.418 0.000 2.409 91 Y HA 0.429 5.349 4.550 0.324 -0.176 0.339 91 Y C 0.569 176.548 175.900 0.132 0.000 1.033 91 Y CA -0.970 57.349 58.100 0.364 0.000 1.094 91 Y CB 3.985 42.780 38.460 0.558 0.000 1.210 91 Y HN 0.469 9.080 8.280 0.553 0.000 0.456 92 D N 2.523 123.084 120.400 0.269 0.000 2.312 92 D HA -0.135 4.542 4.640 0.062 0.000 0.211 92 D C -0.711 175.626 176.300 0.060 0.000 0.964 92 D CA 1.511 55.572 54.000 0.101 0.000 0.877 92 D CB 0.253 41.072 40.800 0.031 0.000 0.924 92 D HN 0.162 8.714 8.370 0.303 0.000 0.515 93 R N -3.474 117.072 120.500 0.077 0.000 2.692 93 R HA 0.239 4.533 4.340 -0.076 0.000 0.269 93 R C -1.639 174.534 176.300 -0.210 0.000 1.030 93 R CA -0.848 55.212 56.100 -0.067 0.000 0.882 93 R CB 2.195 32.438 30.300 -0.094 0.000 1.250 93 R HN -0.472 7.876 8.270 0.190 0.035 0.465 94 T N -4.132 110.210 114.554 -0.353 0.000 3.043 94 T HA 0.021 3.732 4.350 -1.065 0.000 0.272 94 T C -0.720 173.712 174.700 -0.446 0.000 0.990 94 T CA -0.007 61.646 62.100 -0.744 0.000 0.897 94 T CB 0.475 68.791 68.868 -0.921 0.000 1.111 94 T HN 0.194 8.273 8.240 -0.268 0.000 0.529 95 D N 2.894 123.147 120.400 -0.245 0.000 2.845 95 D HA 0.075 4.639 4.640 -0.126 0.000 0.235 95 D C -1.070 175.168 176.300 -0.103 0.000 1.158 95 D CA -0.677 53.238 54.000 -0.141 0.000 0.990 95 D CB -2.764 37.975 40.800 -0.101 0.000 1.094 95 D HN 0.090 8.328 8.370 -0.220 0.000 0.486 96 I N -7.745 112.777 120.570 -0.080 0.000 3.095 96 I HA 0.367 4.562 4.170 0.040 0.000 0.310 96 I C -1.828 174.349 176.117 0.100 0.000 1.196 96 I CA -2.249 59.066 61.300 0.025 0.000 0.985 96 I CB 3.462 41.462 38.000 0.001 0.000 1.250 96 I HN -0.711 7.375 8.210 -0.102 0.063 0.446 97 R N 1.122 121.725 120.500 0.172 0.000 2.233 97 R HA 0.417 4.938 4.340 -0.042 -0.206 0.334 97 R C -1.455 174.930 176.300 0.140 0.000 1.037 97 R CA -1.017 55.108 56.100 0.042 0.000 0.920 97 R CB 0.626 30.907 30.300 -0.032 0.000 1.137 97 R HN 0.065 8.487 8.270 0.253 0.000 0.492 98 A N 3.771 126.621 122.820 0.050 0.000 2.583 98 A HA 0.844 5.471 4.320 0.242 -0.162 0.292 98 A C -2.691 174.816 177.584 -0.128 0.000 1.045 98 A CA -0.608 51.492 52.037 0.105 0.000 0.672 98 A CB 3.851 22.989 19.000 0.231 0.000 1.283 98 A HN -0.170 7.971 8.150 -0.014 0.000 0.419 99 N N -2.545 116.011 118.700 -0.239 0.000 2.701 99 N HA 0.754 5.264 4.740 -0.524 -0.084 0.290 99 N C -1.722 173.500 175.510 -0.479 0.000 1.338 99 N CA -1.973 50.779 53.050 -0.497 0.000 0.799 99 N CB 2.935 40.862 38.487 -0.933 0.000 1.491 99 N HN 0.151 8.430 8.380 -0.168 0.000 0.540 100 V N -1.597 117.969 119.914 -0.581 0.000 2.540 100 V HA 0.396 4.263 4.120 -0.674 -0.151 0.302 100 V C -1.616 174.180 176.094 -0.498 0.000 1.035 100 V CA -0.802 61.099 62.300 -0.665 0.000 0.873 100 V CB 3.324 34.489 31.823 -1.095 0.000 0.992 100 V HN -0.404 7.459 8.190 -0.546 0.000 0.428 101 A N 4.673 127.257 122.820 -0.393 0.000 2.577 101 A HA 0.684 5.108 4.320 -0.134 -0.184 0.297 101 A C -1.971 175.543 177.584 -0.116 0.000 1.060 101 A CA -0.840 51.046 52.037 -0.251 0.000 0.697 101 A CB 3.634 22.321 19.000 -0.521 0.000 1.281 101 A HN 0.646 8.578 8.150 -0.363 0.000 0.402 102 Y N 0.342 120.625 120.300 -0.027 0.000 2.346 102 Y HA 0.205 4.987 4.550 0.075 -0.186 0.330 102 Y C -0.344 175.513 175.900 -0.071 0.000 1.178 102 Y CA 1.386 59.495 58.100 0.015 0.000 1.331 102 Y CB 1.346 39.809 38.460 0.005 0.000 1.253 102 Y HN 0.145 8.591 8.280 0.277 0.000 0.529 103 D N 0.591 121.029 120.400 0.062 0.000 2.787 103 D HA 0.416 5.043 4.640 -0.222 -0.120 0.246 103 D C -1.882 174.293 176.300 -0.209 0.000 1.150 103 D CA -1.096 52.783 54.000 -0.201 0.000 0.864 103 D CB 3.978 44.525 40.800 -0.422 0.000 1.481 103 D HN 0.193 8.641 8.370 0.129 0.000 0.509 104 V N 4.210 123.955 119.914 -0.281 0.000 2.577 104 V HA 0.409 4.641 4.120 -0.123 -0.186 0.303 104 V C -1.716 174.272 176.094 -0.176 0.000 1.042 104 V CA -1.288 60.915 62.300 -0.161 0.000 0.872 104 V CB 3.392 35.193 31.823 -0.036 0.000 0.998 104 V HN 0.184 8.197 8.190 -0.294 0.000 0.423 105 F N 6.868 126.853 119.950 0.059 0.000 2.492 105 F HA 0.993 5.747 4.527 0.059 -0.191 0.327 105 F C -0.238 175.605 175.800 0.072 0.000 1.079 105 F CA -2.554 55.467 58.000 0.035 0.000 0.967 105 F CB 3.905 42.864 39.000 -0.069 0.000 1.169 105 F HN -0.092 8.220 8.300 0.021 0.000 0.472 106 T N -1.020 113.730 114.554 0.328 0.000 2.906 106 T HA 0.967 5.573 4.350 0.144 -0.170 0.295 106 T C -1.897 172.881 174.700 0.130 0.000 1.075 106 T CA -2.571 59.661 62.100 0.220 0.000 1.005 106 T CB 3.446 72.493 68.868 0.299 0.000 1.136 106 T HN 0.475 8.943 8.240 0.380 0.000 0.498 107 A N 0.638 123.489 122.820 0.052 0.000 2.574 107 A HA 0.462 4.987 4.320 0.033 -0.185 0.297 107 A C -1.241 176.361 177.584 0.031 0.000 1.062 107 A CA -0.746 51.291 52.037 -0.000 0.000 0.686 107 A CB 3.229 22.143 19.000 -0.144 0.000 1.285 107 A HN 0.291 8.470 8.150 0.048 0.000 0.403 108 R N 1.711 122.237 120.500 0.043 0.000 2.115 108 R HA -0.189 4.371 4.340 0.011 -0.214 0.230 108 R C -1.307 175.004 176.300 0.020 0.000 1.111 108 R CA 1.998 58.113 56.100 0.025 0.000 0.976 108 R CB 0.548 30.867 30.300 0.031 0.000 0.870 108 R HN -0.097 8.551 8.270 0.054 -0.346 0.445 109 D N -3.370 117.053 120.400 0.037 0.000 2.336 109 D HA 0.080 4.730 4.640 0.017 0.000 0.249 109 D C -0.107 176.211 176.300 0.030 0.000 1.213 109 D CA -2.997 51.023 54.000 0.033 0.000 0.870 109 D CB 0.548 41.377 40.800 0.048 0.000 1.076 109 D HN -0.326 8.075 8.370 0.052 0.000 0.483 110 P HA -0.045 4.378 4.420 0.006 0.000 0.225 110 P C -0.545 176.755 177.300 -0.000 0.000 1.148 110 P CA 1.291 64.393 63.100 0.003 0.000 0.779 110 P CB 0.550 32.247 31.700 -0.006 0.000 0.780 111 D N -3.181 117.213 120.400 -0.010 0.000 2.342 111 D HA -0.011 4.608 4.640 -0.034 0.000 0.221 111 D C -0.642 175.616 176.300 -0.071 0.000 1.101 111 D CA -0.102 53.877 54.000 -0.036 0.000 0.837 111 D CB -0.258 40.516 40.800 -0.043 0.000 0.938 111 D HN -0.342 8.287 8.370 -0.009 -0.265 0.508 112 H N 3.424 122.404 119.070 -0.149 0.000 3.001 112 H HA -0.094 4.313 4.556 -0.248 0.000 0.334 112 H C -2.007 173.104 175.328 -0.362 0.000 1.034 112 H CA -0.038 55.855 56.048 -0.257 0.000 1.420 112 H CB 0.785 30.384 29.762 -0.272 0.000 1.405 112 H HN -0.611 7.649 8.280 0.067 0.060 0.593 113 P HA 0.051 4.263 4.420 -0.346 0.000 0.270 113 P C -0.346 176.603 177.300 -0.584 0.000 1.223 113 P CA 0.033 62.776 63.100 -0.595 0.000 0.785 113 P CB 1.279 32.495 31.700 -0.807 0.000 0.923 114 N N -0.149 118.342 118.700 -0.347 0.000 2.521 114 N HA -0.138 4.561 4.740 -0.069 0.000 0.188 114 N C 0.443 175.927 175.510 -0.043 0.000 1.146 114 N CA 1.467 54.447 53.050 -0.117 0.000 0.893 114 N CB -0.208 38.295 38.487 0.026 0.000 0.975 114 N HN 0.315 8.540 8.380 -0.258 0.000 0.451 115 W N -5.503 115.788 121.300 -0.014 0.000 3.047 115 W HA 0.139 4.810 4.660 0.018 0.000 0.250 115 W C -0.309 175.903 176.519 -0.512 0.000 1.314 115 W CA -0.202 57.078 57.345 -0.109 0.000 1.540 115 W CB -0.210 29.173 29.460 -0.129 0.000 1.127 115 W HN -0.211 7.437 8.180 -0.796 0.054 0.679 116 G N -2.810 105.418 108.800 -0.954 0.000 2.435 116 G HA2 0.285 3.806 3.960 -0.731 0.000 0.296 116 G HA3 0.285 2.332 3.960 -3.188 0.000 0.296 116 G C -2.446 171.601 174.900 -1.421 0.000 1.240 116 G CA 0.299 44.444 45.100 -1.591 0.000 0.872 116 G HN -0.878 6.792 8.290 -0.958 0.046 0.480 117 G N -2.228 105.905 108.800 -1.112 0.000 2.348 117 G HA2 0.045 3.721 3.960 -0.695 0.000 0.296 117 G HA3 0.045 2.808 3.960 -1.995 0.000 0.296 117 G C -1.864 172.741 174.900 -0.492 0.000 1.258 117 G CA 0.493 44.951 45.100 -1.070 0.000 0.868 117 G HN -0.741 7.081 8.290 -0.780 0.000 0.488 118 D N -0.818 119.425 120.400 -0.262 0.000 2.194 118 D HA 0.049 4.559 4.640 -0.216 0.000 0.204 118 D C -0.381 175.707 176.300 -0.353 0.000 0.964 118 D CA 2.315 56.194 54.000 -0.203 0.000 0.846 118 D CB 1.356 42.128 40.800 -0.048 0.000 0.962 118 D HN -0.297 7.945 8.370 -0.212 0.000 0.490 119 Y N -4.238 116.132 120.300 0.117 0.000 2.524 119 Y HA 0.665 5.523 4.550 0.166 -0.208 0.347 119 Y C -1.915 174.143 175.900 0.263 0.000 1.005 119 Y CA -1.637 56.597 58.100 0.223 0.000 1.025 119 Y CB 4.853 43.577 38.460 0.439 0.000 1.275 119 Y HN -0.565 7.863 8.280 0.247 0.000 0.460 120 E N 1.631 122.055 120.200 0.373 0.000 2.234 120 E HA 0.851 5.612 4.350 0.344 -0.205 0.266 120 E C -2.413 174.288 176.600 0.168 0.000 0.877 120 E CA -2.309 54.270 56.400 0.299 0.000 0.758 120 E CB 4.445 34.318 29.700 0.289 0.000 1.170 120 E HN 0.485 9.026 8.360 0.301 0.000 0.415 121 L N 7.246 128.489 121.223 0.034 0.000 2.319 121 L HA 0.793 5.357 4.340 0.053 -0.192 0.281 121 L C -2.228 174.598 176.870 -0.074 0.000 1.005 121 L CA -1.306 53.500 54.840 -0.057 0.000 0.828 121 L CB 2.789 44.617 42.059 -0.384 0.000 1.227 121 L HN 0.580 8.806 8.230 -0.008 0.000 0.415 122 M N 4.877 124.505 119.600 0.047 0.000 2.436 122 M HA 0.620 5.330 4.480 0.034 -0.210 0.331 122 M C -1.043 175.355 176.300 0.164 0.000 1.135 122 M CA -1.184 54.185 55.300 0.115 0.000 0.987 122 M CB 3.887 36.669 32.600 0.302 0.000 1.687 122 M HN 0.706 9.060 8.290 0.106 0.000 0.445 123 I N 1.412 122.048 120.570 0.111 0.000 2.448 123 I HA 0.372 4.671 4.170 -0.023 -0.143 0.281 123 I C -1.243 175.034 176.117 0.266 0.000 1.027 123 I CA -0.948 60.337 61.300 -0.025 0.000 1.111 123 I CB 1.615 39.302 38.000 -0.522 0.000 1.236 123 I HN -0.021 8.266 8.210 0.128 0.000 0.452 124 W N 6.062 127.384 121.300 0.035 0.000 2.315 124 W HA 0.283 5.086 4.660 -0.011 -0.150 0.316 124 W C -0.176 176.414 176.519 0.117 0.000 1.211 124 W CA -1.640 55.731 57.345 0.044 0.000 1.201 124 W CB 0.232 29.705 29.460 0.022 0.000 1.184 124 W HN 0.666 9.193 8.180 0.578 0.000 0.544 125 L N 2.140 123.492 121.223 0.215 0.000 2.693 125 L HA 0.275 4.770 4.340 0.257 0.000 0.235 125 L C -1.059 175.977 176.870 0.277 0.000 1.127 125 L CA -0.317 54.670 54.840 0.246 0.000 0.914 125 L CB 0.402 42.646 42.059 0.309 0.000 1.193 125 L HN 0.614 8.777 8.230 0.071 0.110 0.502 126 A N -4.335 118.525 122.820 0.068 0.000 2.604 126 A HA 0.360 4.675 4.320 -0.008 0.000 0.295 126 A C -2.607 174.860 177.584 -0.196 0.000 1.067 126 A CA -0.255 51.694 52.037 -0.147 0.000 0.683 126 A CB 2.969 21.668 19.000 -0.503 0.000 1.281 126 A HN -0.832 7.334 8.150 0.026 0.000 0.407 127 R N 1.828 122.189 120.500 -0.232 0.000 2.797 127 R HA 0.258 4.582 4.340 -0.026 0.000 0.274 127 R C -2.247 174.051 176.300 -0.004 0.000 1.652 127 R CA 0.092 56.173 56.100 -0.032 0.000 1.175 127 R CB 1.179 31.564 30.300 0.142 0.000 1.283 127 R HN 0.218 8.330 8.270 -0.263 0.000 0.513 128 Y N 3.832 124.111 120.300 -0.034 0.000 2.420 128 Y HA 0.216 4.743 4.550 -0.039 0.000 0.334 128 Y C 0.702 176.533 175.900 -0.115 0.000 1.094 128 Y CA -1.990 56.071 58.100 -0.064 0.000 1.126 128 Y CB 1.564 39.973 38.460 -0.084 0.000 1.217 128 Y HN 0.510 8.724 8.280 -0.110 0.000 0.462 129 G N 1.820 110.666 108.800 0.075 0.000 2.148 129 G HA2 -0.386 3.707 3.960 -0.010 0.000 0.254 129 G HA3 -0.386 3.571 3.960 -0.006 0.000 0.254 129 G C 0.121 174.981 174.900 -0.067 0.000 0.981 129 G CA 0.210 45.304 45.100 -0.009 0.000 0.670 129 G HN 0.698 9.043 8.290 0.092 0.000 0.528 130 G N -3.151 105.587 108.800 -0.104 0.000 2.141 130 G HA2 -0.387 3.507 3.960 -0.109 0.000 0.231 130 G HA3 -0.387 3.455 3.960 -0.197 0.000 0.231 130 G C 0.301 175.012 174.900 -0.315 0.000 0.984 130 G CA -0.358 44.637 45.100 -0.174 0.000 0.660 130 G HN 0.206 8.399 8.290 -0.084 0.047 0.525 131 I N -2.961 117.403 120.570 -0.343 0.000 3.004 131 I HA 0.073 4.056 4.170 -0.311 0.000 0.287 131 I C -1.888 173.947 176.117 -0.469 0.000 1.144 131 I CA 0.520 61.578 61.300 -0.404 0.000 1.353 131 I CB 0.328 37.914 38.000 -0.690 0.000 1.417 131 I HN -0.962 7.073 8.210 -0.292 0.000 0.602 132 Y N 1.818 122.045 120.300 -0.120 0.000 2.524 132 Y HA 0.331 4.635 4.550 -0.410 0.000 0.344 132 Y C -1.872 173.940 175.900 -0.147 0.000 1.012 132 Y CA -2.448 55.512 58.100 -0.234 0.000 1.068 132 Y CB 0.652 39.021 38.460 -0.150 0.000 1.249 132 Y HN -0.056 8.282 8.280 0.097 0.000 0.468 133 P HA 0.082 4.600 4.420 0.163 0.000 0.293 133 P C -1.127 176.151 177.300 -0.037 0.000 1.304 133 P CA -1.129 61.791 63.100 -0.298 0.000 0.767 133 P CB 1.155 32.231 31.700 -1.040 0.000 1.247 134 I N -0.064 120.543 120.570 0.062 0.000 2.648 134 I HA -0.198 4.047 4.170 0.125 0.000 0.284 134 I C 0.721 176.923 176.117 0.142 0.000 1.153 134 I CA 0.693 62.053 61.300 0.101 0.000 1.426 134 I CB -1.343 36.700 38.000 0.072 0.000 1.381 134 I HN 0.234 8.496 8.210 0.087 0.000 0.571 135 G N 6.587 115.494 108.800 0.179 0.000 2.488 135 G HA2 -0.214 3.940 3.960 0.168 0.000 0.237 135 G HA3 -0.214 3.842 3.960 0.160 0.000 0.237 135 G C -1.478 173.646 174.900 0.374 0.000 1.209 135 G CA -0.270 44.958 45.100 0.213 0.000 0.929 135 G HN 0.039 8.423 8.290 0.157 0.000 0.578 136 T N -1.284 113.440 114.554 0.283 0.000 2.896 136 T HA 0.217 4.656 4.350 0.148 0.000 0.297 136 T C -1.515 172.997 174.700 -0.313 0.000 1.108 136 T CA -2.035 60.109 62.100 0.074 0.000 1.004 136 T CB 2.810 71.681 68.868 0.004 0.000 1.159 136 T HN -0.172 8.183 8.240 0.191 0.000 0.499 137 F N 3.908 123.205 119.950 -1.089 0.000 2.578 137 F HA -0.178 3.355 4.527 -1.657 0.000 0.376 137 F C -0.921 174.604 175.800 -0.460 0.000 1.085 137 F CA 1.260 58.537 58.000 -1.205 0.000 1.260 137 F CB 0.895 39.238 39.000 -1.095 0.000 1.095 137 F HN 0.233 8.021 8.300 -0.853 0.000 0.573 138 H N 8.066 126.330 119.070 -1.343 0.000 2.393 138 H HA 0.090 4.318 4.556 -0.548 0.000 0.301 138 H C -0.773 173.923 175.328 -1.053 0.000 1.019 138 H CA 0.382 55.917 56.048 -0.856 0.000 1.311 138 H CB 3.017 32.540 29.762 -0.398 0.000 1.475 138 H HN 0.971 8.490 8.280 -1.269 0.000 0.572 139 S N -3.898 111.119 115.700 -1.138 0.000 2.656 139 S HA 0.116 4.388 4.470 -0.330 0.000 0.265 139 S C -2.369 172.181 174.600 -0.083 0.000 1.110 139 S CA -0.324 57.627 58.200 -0.415 0.000 0.821 139 S CB 1.319 64.571 63.200 0.086 0.000 1.099 139 S HN -0.617 6.942 8.310 -1.252 0.000 0.471 140 Q N -0.064 119.858 119.800 0.203 0.000 2.222 140 Q HA 0.940 5.661 4.340 0.279 -0.214 0.252 140 Q C -0.570 175.536 176.000 0.176 0.000 0.926 140 Q CA -0.994 54.954 55.803 0.242 0.000 0.899 140 Q CB 2.231 31.115 28.738 0.244 0.000 1.250 140 Q HN 0.176 8.577 8.270 0.218 0.000 0.441 141 V N 1.212 121.228 119.914 0.170 0.000 2.808 141 V HA 0.281 4.422 4.120 0.034 0.000 0.308 141 V C -2.963 173.207 176.094 0.128 0.000 1.099 141 V CA -1.985 60.338 62.300 0.038 0.000 0.920 141 V CB 4.595 36.236 31.823 -0.303 0.000 1.014 141 V HN 0.287 8.622 8.190 0.242 0.000 0.425 142 N N 7.528 126.258 118.700 0.050 0.000 2.457 142 N HA 0.679 5.695 4.740 0.133 -0.196 0.250 142 N C -1.018 174.501 175.510 0.014 0.000 0.982 142 N CA -1.155 51.943 53.050 0.080 0.000 0.941 142 N CB -0.030 38.493 38.487 0.059 0.000 1.120 142 N HN 0.067 8.458 8.380 0.019 0.000 0.505 143 L N 0.582 121.870 121.223 0.107 0.000 2.465 143 L HA 0.303 4.556 4.340 -0.146 0.000 0.257 143 L C -0.084 176.912 176.870 0.210 0.000 0.988 143 L CA -0.820 53.959 54.840 -0.103 0.000 0.827 143 L CB 3.955 45.512 42.059 -0.835 0.000 1.397 143 L HN -0.095 8.329 8.230 0.325 0.000 0.410 144 A N -0.861 122.020 122.820 0.101 0.000 2.826 144 A HA -0.324 4.076 4.320 0.132 0.000 0.274 144 A C -0.068 177.667 177.584 0.252 0.000 1.443 144 A CA 0.981 53.163 52.037 0.242 0.000 0.833 144 A CB -1.445 17.864 19.000 0.515 0.000 1.023 144 A HN 0.965 9.103 8.150 -0.021 0.000 0.600 145 G N -6.846 102.049 108.800 0.159 0.000 2.162 145 G HA2 -0.287 3.737 3.960 0.108 0.000 0.260 145 G HA3 -0.287 3.720 3.960 0.079 0.000 0.260 145 G C -0.575 174.379 174.900 0.091 0.000 0.976 145 G CA -0.106 45.061 45.100 0.111 0.000 0.655 145 G HN 0.313 8.649 8.290 0.124 0.029 0.533 146 R N -1.854 118.709 120.500 0.104 0.000 2.912 146 R HA 0.415 4.695 4.340 -0.099 0.000 0.262 146 R C -1.920 174.270 176.300 -0.184 0.000 1.057 146 R CA -2.256 53.778 56.100 -0.111 0.000 0.981 146 R CB 2.939 33.037 30.300 -0.337 0.000 1.201 146 R HN -0.261 7.981 8.270 0.212 0.155 0.484 147 T N 1.809 116.182 114.554 -0.303 0.000 2.824 147 T HA 0.398 4.990 4.350 -0.027 -0.258 0.280 147 T C -1.316 173.169 174.700 -0.359 0.000 0.995 147 T CA 0.265 62.261 62.100 -0.174 0.000 1.009 147 T CB 1.056 69.890 68.868 -0.057 0.000 0.955 147 T HN 0.100 8.156 8.240 -0.308 0.000 0.452 148 W N 4.863 126.254 121.300 0.152 0.000 2.761 148 W HA 0.334 5.269 4.660 0.218 -0.144 0.340 148 W C -1.454 175.201 176.519 0.227 0.000 1.072 148 W CA -1.688 55.790 57.345 0.222 0.000 1.215 148 W CB 2.645 32.316 29.460 0.351 0.000 1.420 148 W HN 0.697 9.071 8.180 0.324 0.000 0.519 149 D N 1.491 122.186 120.400 0.492 0.000 2.339 149 D HA 0.223 5.192 4.640 0.548 0.000 0.241 149 D C -0.866 175.695 176.300 0.435 0.000 1.183 149 D CA 0.152 54.468 54.000 0.527 0.000 0.859 149 D CB 0.707 41.869 40.800 0.603 0.000 1.067 149 D HN 0.451 9.102 8.370 0.469 0.000 0.484 150 L N 6.032 127.334 121.223 0.133 0.000 2.290 150 L HA 0.337 4.714 4.340 -0.224 -0.171 0.284 150 L C -2.027 174.755 176.870 -0.147 0.000 1.078 150 L CA -0.630 54.116 54.840 -0.157 0.000 0.815 150 L CB 1.757 43.595 42.059 -0.369 0.000 1.162 150 L HN 0.385 8.660 8.230 0.076 0.000 0.435 151 W N 7.029 128.170 121.300 -0.265 0.000 2.606 151 W HA 0.778 5.538 4.660 -0.122 -0.174 0.332 151 W C -0.844 175.536 176.519 -0.232 0.000 1.052 151 W CA -1.568 55.669 57.345 -0.180 0.000 1.223 151 W CB 3.412 32.778 29.460 -0.156 0.000 1.383 151 W HN 0.907 9.175 8.180 0.146 0.000 0.524 152 T N -1.016 113.547 114.554 0.015 0.000 2.909 152 T HA 1.122 5.537 4.350 -0.286 -0.237 0.299 152 T C -0.874 173.750 174.700 -0.128 0.000 1.073 152 T CA -2.631 59.361 62.100 -0.180 0.000 0.999 152 T CB 3.499 72.213 68.868 -0.257 0.000 1.098 152 T HN 0.390 8.655 8.240 0.042 0.000 0.477 153 G N 1.265 109.892 108.800 -0.288 0.000 2.435 153 G HA2 0.198 4.134 3.960 -0.040 0.000 0.296 153 G HA3 0.198 4.090 3.960 -0.113 0.000 0.296 153 G C -3.735 170.902 174.900 -0.439 0.000 1.240 153 G CA 0.858 45.843 45.100 -0.191 0.000 0.872 153 G HN -0.227 7.793 8.290 -0.450 0.000 0.480 154 Y N -1.943 118.332 120.300 -0.042 0.000 2.512 154 Y HA 0.707 5.411 4.550 -0.075 -0.199 0.348 154 Y C -1.099 174.789 175.900 -0.020 0.000 0.990 154 Y CA -0.865 57.206 58.100 -0.049 0.000 1.033 154 Y CB 4.280 42.713 38.460 -0.045 0.000 1.259 154 Y HN -0.034 8.338 8.280 0.152 0.000 0.461 155 N N 3.091 121.869 118.700 0.129 0.000 2.569 155 N HA 0.186 4.977 4.740 0.084 0.000 0.254 155 N C 0.085 175.641 175.510 0.076 0.000 1.004 155 N CA -1.168 51.931 53.050 0.082 0.000 0.904 155 N CB 1.322 39.837 38.487 0.046 0.000 1.165 155 N HN 0.328 8.773 8.380 0.109 0.000 0.513 156 G N 7.536 116.374 108.800 0.064 0.000 2.583 156 G HA2 -0.421 3.552 3.960 0.023 0.000 0.292 156 G HA3 -0.421 3.547 3.960 0.013 0.000 0.292 156 G C -0.498 174.432 174.900 0.051 0.000 1.203 156 G CA 1.491 46.611 45.100 0.033 0.000 0.987 156 G HN 0.615 8.942 8.290 0.062 0.000 0.554 157 N N 1.776 120.500 118.700 0.039 0.000 2.336 157 N HA -0.076 4.661 4.740 -0.005 0.000 0.189 157 N C -0.578 174.987 175.510 0.092 0.000 1.113 157 N CA 0.124 53.194 53.050 0.034 0.000 0.858 157 N CB 0.098 38.585 38.487 -0.001 0.000 0.970 157 N HN 0.153 8.554 8.380 0.035 0.000 0.471 158 M N 2.490 122.138 119.600 0.079 0.000 2.146 158 M HA 0.030 4.615 4.480 -0.117 -0.175 0.357 158 M C -1.604 174.665 176.300 -0.052 0.000 1.261 158 M CA 0.319 55.603 55.300 -0.027 0.000 1.106 158 M CB 1.742 34.319 32.600 -0.038 0.000 1.612 158 M HN -0.620 7.658 8.290 0.079 0.060 0.470 159 R N 7.024 127.355 120.500 -0.282 0.000 2.308 159 R HA 0.332 4.235 4.340 -0.971 -0.145 0.305 159 R C -1.584 174.497 176.300 -0.365 0.000 1.053 159 R CA -0.227 55.521 56.100 -0.587 0.000 0.957 159 R CB 1.257 31.236 30.300 -0.535 0.000 1.022 159 R HN 0.049 8.084 8.270 -0.392 0.000 0.461 160 V N 6.755 126.380 119.914 -0.482 0.000 2.448 160 V HA 0.450 4.687 4.120 -0.109 -0.183 0.295 160 V C -1.545 174.279 176.094 -0.450 0.000 1.025 160 V CA -0.852 61.285 62.300 -0.272 0.000 0.859 160 V CB 1.872 33.625 31.823 -0.117 0.000 0.988 160 V HN 0.622 8.436 8.190 -0.626 0.000 0.431 161 Y N 7.371 127.608 120.300 -0.104 0.000 2.334 161 Y HA 0.445 4.982 4.550 -0.289 -0.161 0.336 161 Y C -0.726 175.048 175.900 -0.209 0.000 0.960 161 Y CA -1.640 56.318 58.100 -0.237 0.000 1.164 161 Y CB 1.541 39.835 38.460 -0.277 0.000 1.155 161 Y HN 0.825 9.130 8.280 0.042 0.000 0.478 162 S N 3.434 119.048 115.700 -0.144 0.000 2.498 162 S HA 0.532 5.185 4.470 0.013 -0.175 0.317 162 S C -1.351 173.107 174.600 -0.238 0.000 1.090 162 S CA -1.090 57.026 58.200 -0.141 0.000 1.089 162 S CB 1.888 64.920 63.200 -0.280 0.000 0.997 162 S HN 0.637 8.849 8.310 -0.163 0.000 0.470 163 F N 5.111 125.011 119.950 -0.084 0.000 2.385 163 F HA 0.257 4.999 4.527 0.143 -0.128 0.360 163 F C -1.405 174.511 175.800 0.193 0.000 1.122 163 F CA -0.519 57.498 58.000 0.029 0.000 1.090 163 F CB 0.971 39.825 39.000 -0.244 0.000 1.150 163 F HN 0.695 9.175 8.300 0.300 0.000 0.472 164 L N 3.157 124.661 121.223 0.469 0.000 2.333 164 L HA 0.501 5.053 4.340 0.353 0.000 0.269 164 L C -2.162 174.990 176.870 0.469 0.000 1.010 164 L CA -3.387 51.661 54.840 0.347 0.000 0.818 164 L CB 2.939 44.983 42.059 -0.025 0.000 1.306 164 L HN 0.550 9.072 8.230 0.487 0.000 0.430 165 P HA 0.504 4.857 4.420 -0.112 0.000 0.282 165 P C -1.864 175.485 177.300 0.082 0.000 1.262 165 P CA -2.228 60.910 63.100 0.062 0.000 0.773 165 P CB -0.228 31.505 31.700 0.054 0.000 0.879 166 P HA -0.058 4.581 4.420 0.103 -0.157 0.219 166 P C -0.897 176.429 177.300 0.043 0.000 1.146 166 P CA 1.097 64.234 63.100 0.062 0.000 0.808 166 P CB 0.651 32.371 31.700 0.032 0.000 0.779 167 S N -3.644 112.074 115.700 0.029 0.000 2.537 167 S HA 0.044 4.544 4.470 0.050 0.000 0.271 167 S C -0.161 174.471 174.600 0.053 0.000 1.148 167 S CA -0.635 57.589 58.200 0.039 0.000 0.868 167 S CB 1.449 64.663 63.200 0.025 0.000 1.115 167 S HN -0.667 7.633 8.310 0.011 0.016 0.461 168 G N 3.011 111.861 108.800 0.084 0.000 2.645 168 G HA2 -0.377 3.639 3.960 0.092 0.000 0.246 168 G HA3 -0.377 3.667 3.960 0.140 0.000 0.246 168 G C -1.739 173.256 174.900 0.158 0.000 1.322 168 G CA -0.156 45.014 45.100 0.117 0.000 0.898 168 G HN 0.218 8.559 8.290 0.086 0.000 0.573 169 D N -1.384 119.129 120.400 0.189 0.000 2.533 169 D HA 0.362 5.236 4.640 0.245 -0.087 0.247 169 D C -0.882 175.531 176.300 0.190 0.000 1.056 169 D CA -1.285 52.868 54.000 0.255 0.000 1.054 169 D CB 2.704 43.766 40.800 0.437 0.000 1.400 169 D HN -0.034 8.436 8.370 0.167 0.000 0.533 170 I N -1.226 119.510 120.570 0.277 0.000 2.563 170 I HA 0.189 4.434 4.170 0.125 0.000 0.276 170 I C -0.735 175.499 176.117 0.195 0.000 1.074 170 I CA -0.503 60.922 61.300 0.208 0.000 1.124 170 I CB 0.686 38.806 38.000 0.200 0.000 1.225 170 I HN 0.305 8.788 8.210 0.454 0.000 0.482 171 R N 2.864 123.224 120.500 -0.234 0.000 2.275 171 R HA -0.133 3.065 4.340 -1.903 0.000 0.199 171 R C -1.255 174.787 176.300 -0.430 0.000 0.989 171 R CA 1.613 57.161 56.100 -0.920 0.000 1.016 171 R CB 0.677 30.405 30.300 -0.953 0.000 0.918 171 R HN 0.571 8.730 8.270 -0.185 0.000 0.473 172 D N -2.210 118.174 120.400 -0.027 0.000 2.686 172 D HA 0.536 5.430 4.640 0.146 -0.166 0.249 172 D C -1.882 174.613 176.300 0.324 0.000 1.260 172 D CA -0.491 53.584 54.000 0.124 0.000 0.910 172 D CB 2.329 43.156 40.800 0.046 0.000 1.323 172 D HN -0.593 7.761 8.370 0.030 0.034 0.561 173 F N 4.660 124.745 119.950 0.226 0.000 2.601 173 F HA 0.361 5.032 4.527 0.240 0.000 0.309 173 F C -2.755 173.206 175.800 0.267 0.000 1.089 173 F CA -0.797 57.371 58.000 0.281 0.000 0.940 173 F CB 4.216 43.466 39.000 0.417 0.000 1.273 173 F HN 0.361 8.938 8.300 0.461 0.000 0.450 174 S N 4.258 119.620 115.700 -0.565 0.000 2.546 174 S HA 0.870 5.280 4.470 -0.369 -0.161 0.274 174 S C -1.583 172.510 174.600 -0.845 0.000 1.121 174 S CA -1.664 56.226 58.200 -0.517 0.000 0.887 174 S CB 2.797 65.897 63.200 -0.168 0.000 1.094 174 S HN -0.147 7.773 8.310 -0.650 0.000 0.474 175 C N -2.100 116.878 119.300 -0.537 0.000 3.284 175 C HA 0.327 4.660 4.460 -0.211 0.000 0.348 175 C C -2.623 172.270 174.990 -0.162 0.000 1.448 175 C CA -1.141 57.693 59.018 -0.307 0.000 1.223 175 C CB 3.533 31.138 27.740 -0.226 0.000 1.588 175 C HN 0.411 8.413 8.230 -0.381 0.000 0.451 176 D N 0.398 120.758 120.400 -0.067 0.000 2.440 176 D HA 0.515 5.263 4.640 -0.131 -0.186 0.239 176 D C 1.064 177.343 176.300 -0.034 0.000 1.084 176 D CA -1.793 52.156 54.000 -0.085 0.000 0.843 176 D CB 0.817 41.572 40.800 -0.075 0.000 1.097 176 D HN 0.301 8.670 8.370 -0.003 0.000 0.531 177 I N 6.600 127.085 120.570 -0.142 0.000 2.567 177 I HA -0.504 3.544 4.170 -0.203 0.000 0.257 177 I C 1.253 177.374 176.117 0.006 0.000 1.184 177 I CA 2.868 64.060 61.300 -0.181 0.000 1.451 177 I CB -0.174 37.604 38.000 -0.369 0.000 1.089 177 I HN 0.416 8.512 8.210 -0.190 0.000 0.441 178 K N -0.736 119.671 120.400 0.012 0.000 2.209 178 K HA -0.275 4.175 4.320 0.218 0.000 0.204 178 K C 2.215 178.853 176.600 0.063 0.000 1.048 178 K CA 1.931 58.264 56.287 0.078 0.000 0.940 178 K CB -1.406 31.077 32.500 -0.028 0.000 0.729 178 K HN -0.365 8.082 8.250 -0.064 -0.235 0.451 179 D N -0.365 120.044 120.400 0.016 0.000 2.144 179 D HA -0.214 4.394 4.640 -0.055 0.000 0.199 179 D C 2.486 178.677 176.300 -0.183 0.000 0.984 179 D CA 3.178 57.130 54.000 -0.080 0.000 0.834 179 D CB -0.594 40.106 40.800 -0.166 0.000 0.955 179 D HN -0.293 7.978 8.370 0.023 0.113 0.465 180 F N -0.243 119.511 119.950 -0.326 0.000 2.128 180 F HA -0.302 3.898 4.527 -0.545 0.000 0.295 180 F C 1.915 177.510 175.800 -0.342 0.000 1.100 180 F CA 3.577 61.250 58.000 -0.545 0.000 1.260 180 F CB -0.105 38.310 39.000 -0.976 0.000 1.009 180 F HN -0.740 7.565 8.300 0.184 0.105 0.476 181 F N -1.203 118.685 119.950 -0.104 0.000 2.134 181 F HA -0.493 3.831 4.527 -0.339 0.000 0.299 181 F C 1.931 177.671 175.800 -0.099 0.000 1.097 181 F CA 4.417 62.297 58.000 -0.200 0.000 1.264 181 F CB -0.588 38.297 39.000 -0.193 0.000 1.001 181 F HN -0.321 7.977 8.300 -0.003 0.000 0.479 182 N N -0.465 118.318 118.700 0.139 0.000 2.120 182 N HA -0.318 4.472 4.740 0.084 0.000 0.188 182 N C 2.027 177.571 175.510 0.057 0.000 1.024 182 N CA 2.778 55.876 53.050 0.079 0.000 0.852 182 N CB -0.394 38.119 38.487 0.044 0.000 1.003 182 N HN 0.085 8.541 8.380 0.126 0.000 0.424 183 Y N 1.899 122.162 120.300 -0.061 0.000 2.165 183 Y HA -0.385 4.149 4.550 -0.026 0.000 0.286 183 Y C 1.649 177.553 175.900 0.006 0.000 1.155 183 Y CA 4.012 62.085 58.100 -0.045 0.000 1.164 183 Y CB 0.179 38.577 38.460 -0.104 0.000 0.978 183 Y HN -0.570 7.791 8.280 0.135 0.000 0.513 184 L N -2.279 118.971 121.223 0.045 0.000 2.093 184 L HA -0.444 3.838 4.340 -0.096 0.000 0.208 184 L C 2.450 179.322 176.870 0.004 0.000 1.085 184 L CA 2.701 57.480 54.840 -0.101 0.000 0.755 184 L CB -0.454 41.368 42.059 -0.395 0.000 0.904 184 L HN -0.297 7.910 8.230 0.085 0.074 0.435 185 E N -0.072 120.174 120.200 0.076 0.000 2.077 185 E HA -0.352 4.328 4.350 0.150 -0.240 0.193 185 E C 2.357 178.952 176.600 -0.007 0.000 0.989 185 E CA 2.820 59.279 56.400 0.098 0.000 0.800 185 E CB -0.066 29.701 29.700 0.112 0.000 0.746 185 E HN -0.019 8.392 8.360 0.084 0.000 0.452 186 R N -3.218 117.239 120.500 -0.071 0.000 2.062 186 R HA -0.216 4.077 4.340 -0.079 0.000 0.231 186 R C 2.233 178.433 176.300 -0.168 0.000 1.136 186 R CA 2.621 58.651 56.100 -0.116 0.000 0.948 186 R CB 0.274 30.486 30.300 -0.146 0.000 0.845 186 R HN -0.317 7.906 8.270 -0.078 0.000 0.430 187 N N -5.150 113.381 118.700 -0.282 0.000 2.282 187 N HA 0.112 4.679 4.740 -0.288 0.000 0.185 187 N C 0.058 175.314 175.510 -0.424 0.000 1.099 187 N CA 0.858 53.687 53.050 -0.368 0.000 0.878 187 N CB 1.524 39.656 38.487 -0.591 0.000 0.993 187 N HN -0.408 7.772 8.380 -0.334 0.000 0.481 188 H N -3.272 115.692 119.070 -0.178 0.000 3.078 188 H HA 0.177 4.712 4.556 -0.036 0.000 0.263 188 H C 0.131 175.464 175.328 0.008 0.000 1.177 188 H CA -0.052 55.948 56.048 -0.080 0.000 1.128 188 H CB 2.172 31.830 29.762 -0.174 0.000 1.623 188 H HN -0.389 7.875 8.280 -0.025 0.000 0.592 189 G N -0.197 108.641 108.800 0.063 0.000 2.179 189 G HA2 -0.442 3.556 3.960 0.063 0.000 0.257 189 G HA3 -0.442 3.528 3.960 0.017 0.000 0.257 189 G C -0.528 174.407 174.900 0.060 0.000 1.010 189 G CA 0.621 45.753 45.100 0.054 0.000 0.736 189 G HN -0.459 7.838 8.290 0.012 0.000 0.513 190 Y N 1.864 122.130 120.300 -0.057 0.000 2.650 190 Y HA -0.077 4.343 4.550 -0.215 0.000 0.331 190 Y C -1.489 174.315 175.900 -0.161 0.000 1.165 190 Y CA -1.763 56.232 58.100 -0.175 0.000 1.473 190 Y CB 1.153 39.478 38.460 -0.225 0.000 1.224 190 Y HN -0.707 7.648 8.280 0.173 0.028 0.533 191 P HA 0.196 4.417 4.420 -0.332 0.000 0.225 191 P C -1.248 175.655 177.300 -0.661 0.000 1.813 191 P CA -0.728 62.043 63.100 -0.548 0.000 1.013 191 P CB -1.556 29.954 31.700 -0.316 0.000 1.961 192 A N 2.620 125.114 122.820 -0.544 0.000 2.024 192 A HA -0.338 3.762 4.320 -0.367 0.000 0.220 192 A C 1.613 179.073 177.584 -0.207 0.000 1.164 192 A CA 2.991 54.847 52.037 -0.301 0.000 0.643 192 A CB -0.356 18.623 19.000 -0.035 0.000 0.806 192 A HN -0.148 7.728 8.150 -0.386 0.042 0.451 193 R N -3.346 117.052 120.500 -0.169 0.000 2.235 193 R HA -0.164 4.117 4.340 -0.099 0.000 0.213 193 R C 1.074 177.308 176.300 -0.109 0.000 1.059 193 R CA 1.747 57.779 56.100 -0.114 0.000 0.997 193 R CB 0.023 30.273 30.300 -0.084 0.000 0.884 193 R HN 0.154 8.292 8.270 -0.175 0.027 0.462 194 E N -5.120 114.997 120.200 -0.138 0.000 2.562 194 E HA 0.136 4.441 4.350 -0.075 0.000 0.214 194 E C -1.246 175.299 176.600 -0.092 0.000 0.979 194 E CA -0.730 55.613 56.400 -0.096 0.000 1.002 194 E CB 0.888 30.546 29.700 -0.070 0.000 1.048 194 E HN -0.336 7.885 8.360 -0.185 0.028 0.488 195 Q N -1.098 118.619 119.800 -0.139 0.000 2.271 195 Q HA 0.208 4.528 4.340 -0.033 0.000 0.258 195 Q C -1.779 174.181 176.000 -0.067 0.000 0.936 195 Q CA -1.342 54.410 55.803 -0.085 0.000 0.909 195 Q CB 2.671 31.332 28.738 -0.128 0.000 1.253 195 Q HN -0.766 7.389 8.270 -0.191 0.000 0.440 196 N N 2.171 120.855 118.700 -0.027 0.000 2.443 196 N HA 0.435 5.350 4.740 -0.053 -0.206 0.295 196 N C -0.813 174.688 175.510 -0.015 0.000 1.076 196 N CA -0.600 52.431 53.050 -0.031 0.000 0.919 196 N CB 2.637 41.116 38.487 -0.014 0.000 1.176 196 N HN 0.357 8.619 8.380 -0.004 0.115 0.487 197 L N 3.216 124.417 121.223 -0.036 0.000 2.455 197 L HA -0.118 4.225 4.340 0.005 0.000 0.272 197 L C -1.169 175.724 176.870 0.038 0.000 1.174 197 L CA 0.973 55.808 54.840 -0.007 0.000 0.869 197 L CB 0.415 42.451 42.059 -0.037 0.000 1.130 197 L HN 0.029 8.227 8.230 -0.054 0.000 0.474 198 I N 5.567 126.185 120.570 0.080 0.000 3.136 198 I HA 0.099 4.301 4.170 0.054 0.000 0.262 198 I C -0.495 175.690 176.117 0.114 0.000 1.132 198 I CA -0.099 61.251 61.300 0.084 0.000 1.450 198 I CB 1.485 39.528 38.000 0.072 0.000 1.315 198 I HN 0.549 8.825 8.210 0.110 0.000 0.460 199 V N -7.350 112.651 119.914 0.145 0.000 3.130 199 V HA 0.281 4.473 4.120 0.120 0.000 0.310 199 V C -2.622 173.562 176.094 0.149 0.000 1.158 199 V CA -2.767 59.599 62.300 0.111 0.000 1.029 199 V CB 3.498 35.337 31.823 0.027 0.000 1.057 199 V HN -0.739 7.550 8.190 0.166 0.000 0.436 200 Y N 2.945 123.246 120.300 0.001 0.000 2.359 200 Y HA 0.385 4.977 4.550 0.071 0.000 0.336 200 Y C -2.873 173.092 175.900 0.108 0.000 1.098 200 Y CA -1.872 56.273 58.100 0.076 0.000 1.272 200 Y CB 0.710 39.236 38.460 0.111 0.000 1.112 200 Y HN 0.437 8.831 8.280 0.190 0.000 0.481 201 Q N 4.776 124.738 119.800 0.269 0.000 2.456 201 Q HA 0.928 5.424 4.340 -0.021 -0.168 0.283 201 Q C -2.424 173.568 176.000 -0.014 0.000 1.084 201 Q CA -1.754 54.059 55.803 0.016 0.000 0.801 201 Q CB 5.172 33.757 28.738 -0.254 0.000 1.434 201 Q HN 0.199 8.651 8.270 0.303 0.000 0.419 202 V N 0.028 119.737 119.914 -0.342 0.000 2.876 202 V HA 0.729 4.794 4.120 -0.360 -0.161 0.312 202 V C -2.239 173.664 176.094 -0.318 0.000 1.085 202 V CA -2.990 59.018 62.300 -0.487 0.000 0.945 202 V CB 3.776 35.032 31.823 -0.944 0.000 1.017 202 V HN 0.139 8.052 8.190 -0.461 0.000 0.428 203 G N 3.748 112.372 108.800 -0.293 0.000 2.428 203 G HA2 0.402 4.059 3.960 -0.781 0.000 0.305 203 G HA3 0.402 4.302 3.960 -0.100 0.000 0.305 203 G C -3.326 171.270 174.900 -0.507 0.000 1.260 203 G CA 0.892 45.741 45.100 -0.419 0.000 0.853 203 G HN 0.127 8.272 8.290 -0.242 0.000 0.480 204 T N 3.009 117.247 114.554 -0.527 0.000 2.937 204 T HA 0.519 4.725 4.350 -0.419 -0.107 0.297 204 T C -1.237 173.392 174.700 -0.119 0.000 0.991 204 T CA -1.400 60.440 62.100 -0.434 0.000 0.990 204 T CB 1.327 69.764 68.868 -0.718 0.000 0.991 204 T HN -0.310 7.616 8.240 -0.524 0.000 0.440 205 E N 9.936 130.095 120.200 -0.068 0.000 2.223 205 E HA 0.416 4.961 4.350 -0.043 -0.221 0.282 205 E C -1.004 175.484 176.600 -0.186 0.000 1.046 205 E CA -0.545 55.789 56.400 -0.110 0.000 0.857 205 E CB 1.296 30.878 29.700 -0.197 0.000 1.055 205 E HN 0.133 8.721 8.360 -0.171 -0.330 0.409 206 C N 3.676 122.726 119.300 -0.418 0.000 2.298 206 C HA 0.322 4.530 4.460 -0.419 0.000 0.323 206 C C -0.103 174.609 174.990 -0.463 0.000 1.284 206 C CA 0.093 58.742 59.018 -0.615 0.000 1.577 206 C CB 0.060 26.982 27.740 -1.363 0.000 2.249 206 C HN 0.294 8.235 8.230 -0.481 0.000 0.497 207 F N 1.757 121.533 119.950 -0.289 0.000 2.389 207 F HA 0.495 4.996 4.527 -0.275 -0.139 0.275 207 F C 0.398 176.202 175.800 0.006 0.000 1.009 207 F CA 0.125 58.025 58.000 -0.166 0.000 1.187 207 F CB 2.210 41.176 39.000 -0.058 0.000 1.139 207 F HN 0.838 9.355 8.300 0.361 0.000 0.613 208 T N -7.343 107.474 114.554 0.439 0.000 2.843 208 T HA 0.322 5.123 4.350 0.546 -0.124 0.302 208 T C -0.579 174.443 174.700 0.536 0.000 1.232 208 T CA -1.381 60.998 62.100 0.465 0.000 1.009 208 T CB 3.485 72.523 68.868 0.282 0.000 1.254 208 T HN -0.521 7.996 8.240 0.461 0.000 0.504 209 G N 0.139 109.185 108.800 0.409 0.000 2.362 209 G HA2 -0.232 3.803 3.960 0.124 0.000 0.517 209 G HA3 -0.232 3.791 3.960 0.105 0.000 0.517 209 G C -2.331 172.542 174.900 -0.044 0.000 1.256 209 G CA -0.106 45.090 45.100 0.160 0.000 1.027 209 G HN 0.500 9.026 8.290 0.394 0.000 0.491 210 G N -1.557 107.084 108.800 -0.265 0.000 2.631 210 G HA2 -0.228 3.394 3.960 -0.562 0.000 0.504 210 G HA3 -0.228 3.478 3.960 -0.491 -0.041 0.504 210 G C -2.497 172.277 174.900 -0.209 0.000 1.306 210 G CA -0.749 44.101 45.100 -0.416 0.000 0.897 210 G HN 0.080 8.241 8.290 -0.214 0.000 0.520 211 P HA -0.010 4.420 4.420 -0.317 -0.201 0.264 211 P C -1.447 175.640 177.300 -0.356 0.000 1.193 211 P CA 0.169 63.105 63.100 -0.272 0.000 0.763 211 P CB 0.203 31.808 31.700 -0.158 0.000 0.810 212 A N 2.933 125.408 122.820 -0.575 0.000 2.469 212 A HA 0.526 4.813 4.320 -0.255 -0.120 0.299 212 A C -2.533 174.883 177.584 -0.280 0.000 1.098 212 A CA -1.477 50.274 52.037 -0.476 0.000 0.737 212 A CB 4.622 23.162 19.000 -0.767 0.000 1.312 212 A HN 0.570 8.286 8.150 -0.722 0.000 0.414 213 R N 0.341 120.851 120.500 0.017 0.000 2.515 213 R HA 0.736 5.316 4.340 0.080 -0.191 0.291 213 R C -2.173 174.085 176.300 -0.071 0.000 1.046 213 R CA -0.853 55.266 56.100 0.031 0.000 0.914 213 R CB 3.954 34.237 30.300 -0.028 0.000 1.191 213 R HN 0.254 8.922 8.270 0.121 -0.325 0.435 214 F N 8.948 128.663 119.950 -0.390 0.000 2.410 214 F HA 0.641 4.679 4.527 -1.061 -0.148 0.349 214 F C -1.816 173.711 175.800 -0.455 0.000 1.117 214 F CA -1.994 55.538 58.000 -0.780 0.000 1.104 214 F CB 2.709 41.195 39.000 -0.856 0.000 1.122 214 F HN 0.703 9.064 8.300 0.101 0.000 0.483 215 T N 10.995 124.953 114.554 -0.994 0.000 2.791 215 T HA 0.243 4.160 4.350 -0.723 0.000 0.288 215 T C -1.824 172.216 174.700 -1.100 0.000 0.999 215 T CA 0.116 61.721 62.100 -0.824 0.000 0.952 215 T CB 1.133 69.746 68.868 -0.424 0.000 0.938 215 T HN 0.646 8.353 8.240 -0.890 0.000 0.444 216 C N 9.304 127.916 119.300 -1.147 0.000 2.200 216 C HA 0.462 4.677 4.460 -0.603 -0.117 0.328 216 C C 0.875 175.656 174.990 -0.347 0.000 1.148 216 C CA -2.284 56.270 59.018 -0.773 0.000 1.624 216 C CB -0.609 26.527 27.740 -1.007 0.000 2.167 216 C HN 0.875 8.407 8.230 -1.164 0.000 0.484 217 R N 6.980 127.358 120.500 -0.204 0.000 2.096 217 R HA -0.187 4.079 4.340 -0.123 0.000 0.235 217 R C -0.361 175.927 176.300 -0.019 0.000 1.127 217 R CA 2.580 58.618 56.100 -0.104 0.000 0.968 217 R CB 0.533 30.782 30.300 -0.084 0.000 0.861 217 R HN 0.317 8.470 8.270 -0.195 0.000 0.440 218 D N -4.386 116.045 120.400 0.051 0.000 2.769 218 D HA 0.155 4.989 4.640 0.112 -0.126 0.219 218 D C -2.460 173.999 176.300 0.266 0.000 1.245 218 D CA 0.043 54.116 54.000 0.122 0.000 0.801 218 D CB 3.602 44.452 40.800 0.084 0.000 1.598 218 D HN -0.693 7.716 8.370 0.065 0.000 0.485 219 F N 3.371 123.377 119.950 0.094 0.000 2.569 219 F HA 0.862 5.677 4.527 0.181 -0.179 0.312 219 F C -2.758 173.074 175.800 0.054 0.000 1.109 219 F CA -1.845 56.231 58.000 0.128 0.000 0.919 219 F CB 4.196 43.302 39.000 0.177 0.000 1.211 219 F HN -0.080 8.375 8.300 0.258 0.000 0.446 220 R N 4.249 124.343 120.500 -0.677 0.000 2.651 220 R HA 0.625 4.734 4.340 -0.386 0.000 0.278 220 R C -2.266 173.605 176.300 -0.715 0.000 1.010 220 R CA -1.367 54.424 56.100 -0.515 0.000 0.896 220 R CB 5.188 35.414 30.300 -0.123 0.000 1.211 220 R HN 0.419 8.330 8.270 -0.599 0.000 0.456 221 A N 1.789 124.385 122.820 -0.374 0.000 2.488 221 A HA 0.602 4.964 4.320 -0.165 -0.142 0.298 221 A C -2.965 174.559 177.584 -0.100 0.000 1.044 221 A CA -0.960 50.912 52.037 -0.275 0.000 0.693 221 A CB 3.982 22.674 19.000 -0.514 0.000 1.272 221 A HN 0.483 8.591 8.150 -0.070 0.000 0.402 222 D N 0.592 121.004 120.400 0.020 0.000 2.477 222 D HA 0.601 5.283 4.640 0.069 0.000 0.234 222 D C -1.967 174.388 176.300 0.092 0.000 1.048 222 D CA -1.889 52.154 54.000 0.072 0.000 0.959 222 D CB 4.796 45.675 40.800 0.132 0.000 1.408 222 D HN 0.223 8.628 8.370 0.059 0.000 0.496 223 L N -4.809 116.468 121.223 0.090 0.000 2.506 223 L HA 0.876 5.185 4.340 -0.330 -0.168 0.257 223 L C -2.004 174.926 176.870 0.101 0.000 0.964 223 L CA -1.182 53.626 54.840 -0.054 0.000 0.836 223 L CB 3.444 45.533 42.059 0.050 0.000 1.384 223 L HN -0.054 8.270 8.230 0.156 0.000 0.410 224 W N 0.000 121.323 121.300 0.038 0.000 2.388 224 W HA 0.000 4.670 4.660 0.017 0.000 0.303 224 W CA 0.000 57.356 57.345 0.018 0.000 1.226 224 W CB 0.000 29.469 29.460 0.015 0.000 1.126 224 W HN 0.000 7.893 8.180 -0.479 0.000 0.535