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 2xtt_1_B DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.191 4.170 0.035 0.000 0.288 16 I C 0.000 176.118 176.117 0.001 0.000 1.063 16 I CA 0.000 61.306 61.300 0.010 0.000 1.566 16 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 17 V N 6.076 126.001 119.914 0.018 0.000 2.439 17 V HA 0.161 4.427 4.120 -0.005 -0.149 0.282 17 V C 0.767 176.871 176.094 0.016 0.000 1.039 17 V CA -1.585 60.721 62.300 0.010 0.000 0.913 17 V CB 0.393 32.226 31.823 0.016 0.000 0.983 17 V HN 0.720 8.932 8.190 0.036 0.000 0.460 18 G N 7.183 115.986 108.800 0.005 0.000 2.143 18 G HA2 -0.375 3.727 3.960 -0.009 0.000 0.248 18 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.248 18 G C -0.860 174.059 174.900 0.033 0.000 0.991 18 G CA 0.377 45.480 45.100 0.004 0.000 0.689 18 G HN 0.779 9.068 8.290 -0.001 0.000 0.522 19 G N -0.511 108.309 108.800 0.033 0.000 2.606 19 G HA2 0.545 4.560 3.960 -0.038 0.000 0.262 19 G HA3 0.545 4.585 3.960 0.122 -0.007 0.262 19 G C -1.656 173.311 174.900 0.111 0.000 1.394 19 G CA -1.146 43.983 45.100 0.049 0.000 1.044 19 G HN -0.618 7.642 8.290 0.011 0.037 0.553 20 Y N -6.258 114.026 120.300 -0.027 0.000 2.581 20 Y HA 0.410 4.946 4.550 -0.024 0.000 0.345 20 Y C -1.950 173.927 175.900 -0.038 0.000 1.036 20 Y CA -2.711 55.373 58.100 -0.028 0.000 1.042 20 Y CB 1.700 40.147 38.460 -0.022 0.000 1.289 20 Y HN 0.200 8.303 8.280 -0.294 0.000 0.471 21 T N 3.136 117.748 114.554 0.097 0.000 2.817 21 T HA 0.034 4.459 4.350 -0.082 -0.124 0.295 21 T C 0.036 174.744 174.700 0.013 0.000 0.958 21 T CA 1.583 63.684 62.100 0.002 0.000 1.157 21 T CB -0.160 68.738 68.868 0.050 0.000 0.898 21 T HN 0.145 8.488 8.240 0.172 0.000 0.536 22 c N 5.987 124.495 118.600 -0.153 0.000 2.429 22 c HA -0.114 4.385 4.570 -0.119 0.000 0.277 22 c C 0.567 174.666 174.090 0.015 0.000 1.262 22 c CA 0.911 57.168 56.329 -0.120 0.000 1.733 22 c CB -0.281 42.098 42.510 -0.218 0.000 2.010 22 c HN 0.160 8.265 8.230 -0.209 0.000 0.483 23 G N -2.483 106.314 108.800 -0.005 0.000 2.911 23 G HA2 -0.194 3.783 3.960 0.028 0.000 0.686 23 G HA3 -0.194 3.779 3.960 0.022 0.000 0.686 23 G C -2.339 172.559 174.900 -0.003 0.000 1.136 23 G CA -0.881 44.227 45.100 0.014 0.000 0.764 23 G HN -0.368 7.881 8.290 -0.028 0.025 0.626 24 A N 4.492 127.319 122.820 0.012 0.000 2.548 24 A HA -0.173 4.331 4.320 0.023 -0.170 0.247 24 A C 0.009 177.597 177.584 0.007 0.000 1.067 24 A CA 1.240 53.288 52.037 0.019 0.000 0.757 24 A CB -0.031 18.987 19.000 0.031 0.000 0.996 24 A HN 0.188 8.349 8.150 0.019 0.000 0.504 25 N N -1.797 116.902 118.700 -0.000 0.000 2.741 25 N HA -0.323 4.404 4.740 -0.021 0.000 0.251 25 N C 0.651 176.142 175.510 -0.033 0.000 1.112 25 N CA 1.536 54.579 53.050 -0.012 0.000 0.750 25 N CB -1.439 37.054 38.487 0.011 0.000 1.119 25 N HN 0.436 8.820 8.380 0.006 0.000 0.561 26 T N -3.213 111.313 114.554 -0.046 0.000 3.118 26 T HA -0.177 4.165 4.350 -0.014 0.000 0.260 26 T C -0.165 174.480 174.700 -0.091 0.000 1.139 26 T CA 1.836 63.912 62.100 -0.039 0.000 1.085 26 T CB 0.449 69.309 68.868 -0.013 0.000 0.934 26 T HN -0.241 7.914 8.240 -0.047 0.056 0.518 27 V N 2.507 122.299 119.914 -0.204 0.000 2.320 27 V HA 0.437 4.280 4.120 -0.462 0.000 0.257 27 V C -1.290 174.475 176.094 -0.548 0.000 0.996 27 V CA -3.424 58.593 62.300 -0.472 0.000 0.928 27 V CB 0.448 31.962 31.823 -0.515 0.000 1.169 27 V HN -0.170 7.849 8.190 -0.180 0.063 0.475 28 P HA 0.153 4.520 4.420 -0.089 0.000 0.237 28 P C 0.116 177.387 177.300 -0.048 0.000 1.178 28 P CA 1.340 64.377 63.100 -0.105 0.000 0.766 28 P CB -0.140 31.568 31.700 0.014 0.000 0.876 29 Y N -5.273 115.051 120.300 0.039 0.000 2.511 29 Y HA 0.401 5.107 4.550 0.055 -0.123 0.279 29 Y C -0.420 175.514 175.900 0.056 0.000 1.157 29 Y CA -2.933 55.196 58.100 0.048 0.000 1.300 29 Y CB -1.267 37.217 38.460 0.041 0.000 1.052 29 Y HN -0.421 7.455 8.280 -0.578 0.057 0.529 30 Q N 2.907 122.551 119.800 -0.260 0.000 2.297 30 Q HA 0.142 4.644 4.340 0.030 -0.144 0.267 30 Q C -0.401 175.666 176.000 0.111 0.000 1.006 30 Q CA 0.269 56.026 55.803 -0.076 0.000 0.896 30 Q CB 0.576 29.157 28.738 -0.262 0.000 1.186 30 Q HN -0.621 7.165 8.270 -0.546 0.156 0.392 31 V N 1.208 121.229 119.914 0.179 0.000 3.019 31 V HA 0.810 5.160 4.120 0.213 -0.103 0.317 31 V C -1.663 174.595 176.094 0.272 0.000 1.094 31 V CA -3.505 58.911 62.300 0.194 0.000 1.000 31 V CB 3.309 35.193 31.823 0.101 0.000 1.060 31 V HN 0.255 8.543 8.190 0.164 0.000 0.443 32 S N 0.200 115.975 115.700 0.125 0.000 2.454 32 S HA 0.473 5.186 4.470 0.186 -0.131 0.306 32 S C -0.840 173.662 174.600 -0.163 0.000 1.100 32 S CA -2.146 56.069 58.200 0.025 0.000 1.087 32 S CB 1.646 64.714 63.200 -0.220 0.000 1.019 32 S HN 0.024 8.368 8.310 0.057 0.000 0.480 33 L N 6.631 127.638 121.223 -0.360 0.000 2.275 33 L HA 0.497 4.757 4.340 -0.340 -0.123 0.288 33 L C -1.357 175.141 176.870 -0.620 0.000 1.046 33 L CA -0.779 53.737 54.840 -0.541 0.000 0.805 33 L CB 0.654 42.215 42.059 -0.831 0.000 1.193 33 L HN 0.652 8.646 8.230 -0.394 0.000 0.426 38 G N 0.657 109.354 108.800 -0.172 0.000 2.213 38 G HA2 -0.290 3.706 3.960 0.060 0.000 0.236 38 G HA3 -0.290 3.652 3.960 -0.030 0.000 0.236 38 G C -2.053 172.896 174.900 0.082 0.000 0.991 38 G CA 0.469 45.559 45.100 -0.017 0.000 0.629 38 G HN 0.028 8.396 8.290 -0.181 -0.187 0.517 39 Y N -5.620 114.658 120.300 -0.037 0.000 2.656 39 Y HA 0.234 4.755 4.550 -0.048 0.000 0.334 39 Y C -2.628 173.283 175.900 0.019 0.000 1.179 39 Y CA -3.571 54.513 58.100 -0.026 0.000 1.050 39 Y CB 1.214 39.655 38.460 -0.032 0.000 1.308 39 Y HN -1.220 6.793 8.280 -0.427 0.011 0.456 40 H N 2.601 121.640 119.070 -0.051 0.000 2.929 40 H HA -0.169 4.376 4.556 -0.262 -0.146 0.317 40 H C -0.663 174.675 175.328 0.017 0.000 1.031 40 H CA 1.046 57.004 56.048 -0.149 0.000 1.466 40 H CB 0.271 29.914 29.762 -0.198 0.000 1.482 40 H HN 0.341 8.734 8.280 0.188 0.000 0.561 41 F N 3.050 122.478 119.950 -0.869 0.000 2.876 41 F HA 0.348 4.698 4.527 -0.294 0.000 0.344 41 F C -1.696 173.811 175.800 -0.489 0.000 1.029 41 F CA -0.305 57.384 58.000 -0.518 0.000 1.154 41 F CB 1.863 40.648 39.000 -0.359 0.000 1.040 41 F HN -0.158 7.496 8.300 -1.077 0.000 0.576 42 c N -0.739 117.122 118.600 -1.231 0.000 3.285 42 c HA 0.408 4.857 4.570 -0.300 -0.058 0.325 42 c C -1.231 172.651 174.090 -0.346 0.000 1.304 42 c CA -0.307 55.643 56.329 -0.631 0.000 1.319 42 c CB 4.120 46.247 42.510 -0.639 0.000 1.640 42 c HN -0.804 6.477 8.230 -1.581 0.000 0.477 43 G N -0.508 108.279 108.800 -0.021 0.000 2.537 43 G HA2 0.718 4.785 3.960 0.179 0.000 0.297 43 G HA3 0.718 4.964 3.960 0.213 -0.158 0.297 43 G C -2.296 172.611 174.900 0.012 0.000 1.310 43 G CA -1.356 43.813 45.100 0.115 0.000 1.027 43 G HN 0.646 8.937 8.290 0.000 0.000 0.505 44 G N -3.996 104.850 108.800 0.076 0.000 2.550 44 G HA2 0.499 4.486 3.960 0.044 0.000 0.293 44 G HA3 0.499 4.788 3.960 0.062 -0.291 0.293 44 G C -2.931 172.049 174.900 0.133 0.000 1.402 44 G CA 0.353 45.496 45.100 0.072 0.000 0.784 44 G HN -0.570 7.796 8.290 0.127 0.000 0.482 45 S N -0.504 115.284 115.700 0.146 0.000 2.594 45 S HA 0.775 5.614 4.470 0.276 -0.203 0.296 45 S C -1.301 173.407 174.600 0.179 0.000 1.124 45 S CA -0.866 57.460 58.200 0.210 0.000 1.011 45 S CB 3.386 66.699 63.200 0.188 0.000 1.016 45 S HN 0.318 8.702 8.310 0.123 0.000 0.485 46 L N 6.827 128.172 121.223 0.204 0.000 2.361 46 L HA 0.111 4.667 4.340 0.154 -0.123 0.278 46 L C -0.475 176.484 176.870 0.149 0.000 1.113 46 L CA 0.147 55.089 54.840 0.168 0.000 0.849 46 L CB 0.805 42.962 42.059 0.162 0.000 1.155 46 L HN 0.383 8.762 8.230 0.249 0.000 0.452 47 I N 0.520 121.175 120.570 0.142 0.000 4.070 47 I HA 0.504 4.872 4.170 0.071 -0.156 0.328 47 I C -1.038 175.140 176.117 0.103 0.000 1.298 47 I CA -0.588 60.773 61.300 0.101 0.000 1.173 47 I CB 1.084 39.135 38.000 0.085 0.000 1.051 47 I HN 0.371 8.682 8.210 0.169 0.000 0.409 48 N N -1.349 117.439 118.700 0.147 0.000 3.308 48 N HA 0.100 4.902 4.740 0.103 0.000 0.276 48 N C -0.462 175.135 175.510 0.145 0.000 1.533 48 N CA -0.771 52.360 53.050 0.136 0.000 0.878 48 N CB 0.937 39.507 38.487 0.137 0.000 1.566 48 N HN -0.793 7.695 8.380 0.181 0.000 0.546 49 S N -3.139 112.632 115.700 0.117 0.000 2.474 49 S HA -0.373 4.144 4.470 0.078 0.000 0.235 49 S C 0.981 175.620 174.600 0.066 0.000 0.997 49 S CA 3.052 61.303 58.200 0.085 0.000 0.949 49 S CB -0.266 62.971 63.200 0.062 0.000 0.766 49 S HN 0.364 8.741 8.310 0.111 0.000 0.517 50 Q N -1.109 118.749 119.800 0.096 0.000 2.246 50 Q HA 0.235 4.507 4.340 -0.113 0.000 0.222 50 Q C -1.446 174.405 176.000 -0.249 0.000 0.851 50 Q CA 0.545 56.311 55.803 -0.062 0.000 0.945 50 Q CB 2.576 31.285 28.738 -0.048 0.000 1.122 50 Q HN -0.180 8.428 8.270 0.186 -0.226 0.508 51 W N -2.360 118.949 121.300 0.015 0.000 3.129 51 W HA 0.689 5.571 4.660 0.012 -0.215 0.333 51 W C -1.903 174.633 176.519 0.028 0.000 1.141 51 W CA -0.966 56.387 57.345 0.014 0.000 1.224 51 W CB 3.760 33.221 29.460 0.000 0.000 1.393 51 W HN -0.520 7.900 8.180 0.256 -0.086 0.499 52 V N 1.421 121.494 119.914 0.265 0.000 2.680 52 V HA 0.743 5.150 4.120 0.175 -0.183 0.309 52 V C -1.341 174.873 176.094 0.200 0.000 1.052 52 V CA -2.031 60.379 62.300 0.183 0.000 0.908 52 V CB 3.674 35.556 31.823 0.100 0.000 1.001 52 V HN 0.878 9.229 8.190 0.267 0.000 0.431 53 V N 6.615 126.625 119.914 0.161 0.000 2.427 53 V HA 0.652 5.038 4.120 0.166 -0.167 0.286 53 V C -1.046 175.107 176.094 0.098 0.000 1.034 53 V CA -1.391 60.994 62.300 0.142 0.000 0.893 53 V CB 0.597 32.499 31.823 0.133 0.000 0.982 53 V HN 0.436 8.716 8.190 0.151 0.000 0.452 54 S N 5.127 120.868 115.700 0.069 0.000 2.903 54 S HA 0.491 5.163 4.470 0.019 -0.191 0.314 54 S C -2.053 172.527 174.600 -0.034 0.000 1.177 54 S CA -2.255 55.951 58.200 0.009 0.000 0.859 54 S CB 2.679 65.862 63.200 -0.027 0.000 1.265 54 S HN 0.573 8.935 8.310 0.087 0.000 0.584 55 A N -0.259 122.490 122.820 -0.117 0.000 2.327 55 A HA 0.385 4.794 4.320 -0.134 -0.170 0.283 55 A C 0.772 178.201 177.584 -0.258 0.000 1.127 55 A CA -1.229 50.688 52.037 -0.199 0.000 0.810 55 A CB 1.036 19.828 19.000 -0.347 0.000 1.066 55 A HN 0.354 8.421 8.150 -0.138 0.000 0.492 56 A N 4.597 127.213 122.820 -0.340 0.000 1.940 56 A HA -0.285 3.857 4.320 -0.295 0.000 0.219 56 A C 1.417 178.724 177.584 -0.462 0.000 1.176 56 A CA 3.020 54.741 52.037 -0.526 0.000 0.631 56 A CB -0.572 17.730 19.000 -1.164 0.000 0.814 56 A HN 0.570 8.552 8.150 -0.318 -0.023 0.446 57 H N -5.428 113.446 119.070 -0.328 0.000 2.559 57 H HA -0.105 4.440 4.556 -0.018 0.000 0.273 57 H C 0.038 175.407 175.328 0.069 0.000 1.000 57 H CA 1.724 57.745 56.048 -0.045 0.000 1.195 57 H CB -0.932 28.882 29.762 0.088 0.000 1.368 57 H HN -0.209 8.156 8.280 -0.298 -0.264 0.592 58 c N -1.441 117.019 118.600 -0.233 0.000 2.576 58 c HA -0.035 4.640 4.570 0.175 0.000 0.267 58 c C -0.596 173.592 174.090 0.163 0.000 1.364 58 c CA -0.067 56.281 56.329 0.032 0.000 1.723 58 c CB -2.243 40.209 42.510 -0.096 0.000 1.778 58 c HN -0.672 7.155 8.230 -0.396 0.165 0.572 59 Y N 2.462 122.763 120.300 0.001 0.000 2.610 59 Y HA -0.252 4.318 4.550 0.034 0.000 0.332 59 Y C -1.160 174.742 175.900 0.002 0.000 1.201 59 Y CA 1.738 59.848 58.100 0.016 0.000 1.465 59 Y CB 0.548 39.004 38.460 -0.007 0.000 1.283 59 Y HN -0.619 7.581 8.280 0.152 0.171 0.563 60 K N 6.865 126.691 120.400 -0.958 0.000 2.532 60 K HA 0.234 4.096 4.320 -0.764 0.000 0.265 60 K C -1.645 174.327 176.600 -1.047 0.000 0.948 60 K CA -1.728 54.026 56.287 -0.889 0.000 0.842 60 K CB 4.091 36.267 32.500 -0.541 0.000 1.392 60 K HN 0.079 7.817 8.250 -0.854 0.000 0.436 61 S N -0.242 115.096 115.700 -0.603 0.000 2.585 61 S HA -0.041 4.260 4.470 -0.281 0.000 0.273 61 S C 0.971 175.445 174.600 -0.210 0.000 1.339 61 S CA 0.823 58.857 58.200 -0.276 0.000 1.028 61 S CB 0.446 63.616 63.200 -0.050 0.000 0.906 61 S HN 0.088 8.140 8.310 -0.430 0.000 0.528 62 G N 0.725 109.445 108.800 -0.133 0.000 2.147 62 G HA2 -0.281 3.618 3.960 -0.102 0.000 0.244 62 G HA3 -0.281 3.631 3.960 -0.079 0.000 0.244 62 G C -0.091 174.741 174.900 -0.113 0.000 1.005 62 G CA 0.253 45.290 45.100 -0.105 0.000 0.713 62 G HN 0.246 8.472 8.290 -0.106 0.000 0.515 63 I N 0.034 120.532 120.570 -0.119 0.000 2.752 63 I HA -0.337 3.796 4.170 -0.063 0.000 0.287 63 I C -1.074 174.991 176.117 -0.087 0.000 1.188 63 I CA 0.965 62.217 61.300 -0.080 0.000 1.427 63 I CB 0.563 38.531 38.000 -0.052 0.000 1.365 63 I HN -0.478 7.649 8.210 -0.139 0.000 0.585 64 Q N 6.687 126.424 119.800 -0.105 0.000 2.307 64 Q HA 0.294 4.574 4.340 -0.100 0.000 0.262 64 Q C -1.422 174.481 176.000 -0.162 0.000 0.961 64 Q CA -1.180 54.545 55.803 -0.131 0.000 0.882 64 Q CB 2.448 31.081 28.738 -0.175 0.000 1.264 64 Q HN 0.200 8.409 8.270 -0.103 0.000 0.446 65 V N 7.623 127.465 119.914 -0.119 0.000 2.465 65 V HA 0.261 4.443 4.120 -0.135 -0.144 0.279 65 V C -0.849 175.190 176.094 -0.093 0.000 1.045 65 V CA -0.648 61.589 62.300 -0.105 0.000 0.938 65 V CB 0.388 32.178 31.823 -0.055 0.000 0.986 65 V HN 0.545 8.681 8.190 -0.089 0.000 0.467 66 R N 6.215 126.646 120.500 -0.116 0.000 2.337 66 R HA 0.551 5.098 4.340 0.086 -0.156 0.319 66 R C -0.983 175.351 176.300 0.057 0.000 0.954 66 R CA -1.186 54.883 56.100 -0.051 0.000 0.840 66 R CB 1.519 31.647 30.300 -0.287 0.000 1.164 66 R HN 0.644 8.837 8.270 -0.129 0.000 0.472 70 E N 0.011 120.311 120.200 0.168 0.000 2.354 70 E HA -0.029 4.398 4.350 0.129 0.000 0.269 70 E C -1.405 175.378 176.600 0.306 0.000 1.036 70 E CA 0.591 57.104 56.400 0.188 0.000 0.876 70 E CB 0.813 30.556 29.700 0.072 0.000 1.009 70 E HN -0.565 7.860 8.360 0.185 0.046 0.416 71 D N 2.956 123.498 120.400 0.238 0.000 3.137 71 D HA 0.084 4.931 4.640 0.346 0.000 0.236 71 D C -0.719 175.776 176.300 0.324 0.000 1.557 71 D CA 1.107 55.270 54.000 0.272 0.000 1.305 71 D CB 2.361 43.242 40.800 0.135 0.000 1.065 71 D HN 0.164 8.630 8.370 0.160 0.000 0.290 72 N N 0.494 119.292 118.700 0.164 0.000 2.405 72 N HA 0.076 5.139 4.740 0.157 -0.229 0.260 72 N C 1.967 177.477 175.510 -0.000 0.000 1.152 72 N CA 0.047 53.162 53.050 0.109 0.000 0.948 72 N CB 0.336 38.864 38.487 0.067 0.000 1.111 72 N HN -0.452 8.307 8.380 0.123 -0.305 0.485 73 I N -0.777 119.710 120.570 -0.138 0.000 3.291 73 I HA 0.091 4.027 4.170 -0.391 0.000 0.279 73 I C -0.148 175.851 176.117 -0.196 0.000 1.294 73 I CA 0.125 61.182 61.300 -0.404 0.000 1.428 73 I CB -2.095 35.400 38.000 -0.841 0.000 1.070 73 I HN 0.282 8.449 8.210 -0.072 0.000 0.478 74 N N -2.756 115.893 118.700 -0.086 0.000 2.184 74 N HA 0.185 4.898 4.740 -0.046 0.000 0.206 74 N C -1.106 174.403 175.510 -0.003 0.000 1.151 74 N CA -0.374 52.654 53.050 -0.037 0.000 0.878 74 N CB 1.996 40.472 38.487 -0.019 0.000 1.014 74 N HN -0.142 8.442 8.380 -0.059 -0.240 0.512 75 V N 0.673 120.590 119.914 0.006 0.000 2.540 75 V HA 0.039 4.169 4.120 0.016 0.000 0.302 75 V C -1.171 174.936 176.094 0.021 0.000 1.035 75 V CA -2.065 60.244 62.300 0.016 0.000 0.873 75 V CB 2.894 34.728 31.823 0.018 0.000 0.992 75 V HN -0.738 7.550 8.190 -0.001 -0.098 0.428 76 V N 7.107 127.031 119.914 0.016 0.000 2.415 76 V HA -0.216 4.101 4.120 0.003 -0.196 0.267 76 V C 0.311 176.398 176.094 -0.011 0.000 1.042 76 V CA 0.480 62.778 62.300 -0.004 0.000 1.000 76 V CB -1.202 30.603 31.823 -0.030 0.000 1.015 76 V HN 0.348 8.547 8.190 0.015 0.000 0.478 77 E N 7.673 127.869 120.200 -0.007 0.000 2.460 77 E HA 0.193 4.542 4.350 -0.001 0.000 0.200 77 E C 0.561 177.153 176.600 -0.014 0.000 1.011 77 E CA -0.423 55.975 56.400 -0.002 0.000 0.912 77 E CB 0.740 30.450 29.700 0.016 0.000 0.953 77 E HN 0.530 9.350 8.360 -0.003 -0.462 0.494 78 G N -0.158 108.622 108.800 -0.032 0.000 2.179 78 G HA2 -0.294 3.649 3.960 -0.029 0.000 0.220 78 G HA3 -0.294 3.632 3.960 -0.058 0.000 0.220 78 G C -0.692 174.191 174.900 -0.028 0.000 0.990 78 G CA 0.698 45.775 45.100 -0.038 0.000 0.646 78 G HN 0.376 8.921 8.290 -0.043 -0.281 0.517 79 N N -1.976 116.717 118.700 -0.011 0.000 2.280 79 N HA -0.011 4.726 4.740 -0.004 0.000 0.192 79 N C -0.590 174.920 175.510 -0.000 0.000 1.109 79 N CA -0.583 52.467 53.050 0.001 0.000 0.855 79 N CB -0.000 38.501 38.487 0.024 0.000 0.974 79 N HN 0.256 8.634 8.380 -0.004 0.000 0.482 80 E N -0.035 120.145 120.200 -0.033 0.000 2.313 80 E HA 0.353 4.958 4.350 0.049 -0.225 0.272 80 E C 0.026 176.582 176.600 -0.074 0.000 1.038 80 E CA -0.433 55.951 56.400 -0.026 0.000 0.863 80 E CB 0.777 30.424 29.700 -0.089 0.000 1.060 80 E HN -0.417 7.838 8.360 -0.061 0.069 0.402 81 Q N 3.387 123.205 119.800 0.029 0.000 2.321 81 Q HA 0.334 4.637 4.340 -0.062 0.000 0.270 81 Q C -1.466 174.688 176.000 0.256 0.000 1.032 81 Q CA -1.296 54.529 55.803 0.037 0.000 0.784 81 Q CB 3.370 32.133 28.738 0.042 0.000 1.264 81 Q HN 0.285 8.615 8.270 0.099 0.000 0.448 82 F N 3.206 123.138 119.950 -0.031 0.000 2.404 82 F HA 0.794 5.484 4.527 -0.044 -0.188 0.354 82 F C 0.445 176.222 175.800 -0.039 0.000 1.122 82 F CA -3.294 54.683 58.000 -0.039 0.000 1.080 82 F CB 0.984 39.959 39.000 -0.042 0.000 1.131 82 F HN 0.253 8.596 8.300 0.071 0.000 0.471 83 I N 4.168 124.812 120.570 0.124 0.000 2.534 83 I HA 0.236 4.432 4.170 0.044 0.000 0.288 83 I C -1.141 174.971 176.117 -0.008 0.000 1.077 83 I CA -1.337 59.987 61.300 0.039 0.000 1.051 83 I CB 3.731 41.739 38.000 0.013 0.000 1.234 83 I HN 0.827 9.096 8.210 0.098 0.000 0.425 84 S N 7.158 122.846 115.700 -0.020 0.000 2.572 84 S HA -0.010 4.538 4.470 -0.054 -0.111 0.279 84 S C 0.032 174.591 174.600 -0.068 0.000 1.341 84 S CA 0.299 58.472 58.200 -0.046 0.000 1.043 84 S CB 0.409 63.585 63.200 -0.039 0.000 0.887 84 S HN 0.441 8.746 8.310 -0.008 0.000 0.516 85 A N 3.966 126.739 122.820 -0.078 0.000 2.477 85 A HA 0.080 4.470 4.320 -0.120 -0.142 0.246 85 A C -0.240 177.290 177.584 -0.089 0.000 1.078 85 A CA 0.186 52.166 52.037 -0.095 0.000 0.770 85 A CB 0.246 19.200 19.000 -0.077 0.000 1.011 85 A HN -0.024 8.082 8.150 -0.075 0.000 0.494 86 S N 3.292 118.919 115.700 -0.122 0.000 2.470 86 S HA 0.050 4.478 4.470 -0.069 0.000 0.222 86 S C 0.629 175.183 174.600 -0.076 0.000 1.024 86 S CA 0.903 59.044 58.200 -0.098 0.000 0.931 86 S CB 0.925 64.055 63.200 -0.116 0.000 0.791 86 S HN 0.505 8.716 8.310 -0.165 0.000 0.513 87 K N 1.534 121.874 120.400 -0.100 0.000 2.501 87 K HA 0.309 4.642 4.320 0.021 0.000 0.252 87 K C -2.255 174.358 176.600 0.022 0.000 0.934 87 K CA -0.443 55.830 56.287 -0.024 0.000 0.797 87 K CB 4.073 36.558 32.500 -0.024 0.000 1.270 87 K HN -0.821 7.336 8.250 -0.156 0.000 0.431 88 S N 3.372 119.153 115.700 0.134 0.000 2.733 88 S HA 0.477 5.193 4.470 0.172 -0.143 0.307 88 S C -1.061 173.711 174.600 0.286 0.000 1.127 88 S CA -0.547 57.786 58.200 0.221 0.000 1.097 88 S CB 1.559 64.897 63.200 0.230 0.000 1.003 88 S HN 0.288 8.692 8.310 0.158 0.000 0.477 89 I N 7.739 128.458 120.570 0.249 0.000 2.405 89 I HA 0.186 4.453 4.170 0.162 0.000 0.280 89 I C -1.373 174.895 176.117 0.252 0.000 1.027 89 I CA -1.006 60.429 61.300 0.224 0.000 1.161 89 I CB 1.043 39.188 38.000 0.241 0.000 1.300 89 I HN 0.935 9.301 8.210 0.259 0.000 0.463 90 V N 4.653 124.643 119.914 0.127 0.000 2.775 90 V HA 0.086 4.268 4.120 0.103 0.000 0.299 90 V C -0.663 175.524 176.094 0.155 0.000 1.062 90 V CA -1.927 60.427 62.300 0.089 0.000 1.063 90 V CB 0.713 32.509 31.823 -0.046 0.000 0.994 90 V HN 0.152 8.363 8.190 0.035 0.000 0.483 91 H N 6.848 125.886 119.070 -0.054 0.000 3.034 91 H HA -0.073 4.315 4.556 -0.280 0.000 0.324 91 H C -0.033 175.271 175.328 -0.041 0.000 1.015 91 H CA 0.538 56.424 56.048 -0.270 0.000 1.429 91 H CB 0.931 30.314 29.762 -0.631 0.000 1.429 91 H HN -0.108 8.200 8.280 0.046 0.000 0.585 92 P HA -0.109 4.348 4.420 0.061 0.000 0.219 92 P C -0.329 177.051 177.300 0.133 0.000 1.146 92 P CA 1.542 64.664 63.100 0.036 0.000 0.808 92 P CB 0.350 32.053 31.700 0.005 0.000 0.779 93 S N -4.128 111.753 115.700 0.302 0.000 2.605 93 S HA 0.023 4.560 4.470 0.112 0.000 0.217 93 S C -0.131 174.550 174.600 0.135 0.000 0.958 93 S CA 0.005 58.328 58.200 0.205 0.000 0.919 93 S CB 0.325 63.630 63.200 0.176 0.000 0.780 93 S HN -0.531 8.073 8.310 0.538 0.029 0.507 94 Y N 4.734 125.065 120.300 0.052 0.000 2.810 94 Y HA -0.253 4.479 4.550 -0.063 -0.220 0.332 94 Y C -0.546 175.343 175.900 -0.018 0.000 1.243 94 Y CA 1.567 59.655 58.100 -0.020 0.000 1.537 94 Y CB 0.292 38.747 38.460 -0.008 0.000 1.265 94 Y HN -0.540 7.772 8.280 0.349 0.177 0.572 95 N N 7.696 125.980 118.700 -0.694 0.000 2.491 95 N HA 0.192 4.616 4.740 -0.527 0.000 0.274 95 N C -0.246 174.732 175.510 -0.887 0.000 1.023 95 N CA -1.050 51.626 53.050 -0.624 0.000 0.902 95 N CB 2.283 40.596 38.487 -0.290 0.000 1.267 95 N HN -0.291 7.750 8.380 -0.565 0.000 0.503 96 S N 7.400 122.587 115.700 -0.854 0.000 2.474 96 S HA -0.095 4.018 4.470 -0.595 0.000 0.235 96 S C 0.842 175.263 174.600 -0.299 0.000 0.997 96 S CA 2.384 60.265 58.200 -0.531 0.000 0.949 96 S CB -0.220 62.857 63.200 -0.206 0.000 0.766 96 S HN 0.592 8.480 8.310 -0.704 0.000 0.517 97 N N 1.769 120.305 118.700 -0.273 0.000 2.300 97 N HA -0.066 4.564 4.740 -0.183 0.000 0.179 97 N C 1.078 176.449 175.510 -0.231 0.000 1.016 97 N CA 2.369 55.294 53.050 -0.207 0.000 0.876 97 N CB 0.420 38.811 38.487 -0.160 0.000 0.979 97 N HN -0.066 8.331 8.380 -0.298 -0.196 0.432 98 T N -4.007 110.397 114.554 -0.250 0.000 2.985 98 T HA 0.096 4.288 4.350 -0.262 0.000 0.254 98 T C 0.490 175.018 174.700 -0.287 0.000 1.021 98 T CA -0.265 61.688 62.100 -0.245 0.000 0.957 98 T CB 2.094 70.866 68.868 -0.160 0.000 1.047 98 T HN -0.711 7.508 8.240 -0.266 -0.139 0.511 99 L N -3.300 117.768 121.223 -0.258 0.000 4.429 99 L HA -0.520 3.894 4.340 0.022 -0.061 0.422 99 L C -1.824 175.073 176.870 0.044 0.000 1.149 99 L CA 0.824 55.605 54.840 -0.099 0.000 0.972 99 L CB -2.997 38.915 42.059 -0.244 0.000 2.059 99 L HN -0.202 7.852 8.230 -0.292 0.000 0.870 100 N N -0.926 117.761 118.700 -0.023 0.000 2.492 100 N HA -0.188 4.599 4.740 0.079 0.000 0.260 100 N C 0.112 175.667 175.510 0.075 0.000 1.215 100 N CA 0.821 53.892 53.050 0.034 0.000 0.923 100 N CB 1.040 39.518 38.487 -0.015 0.000 1.092 100 N HN -0.720 7.531 8.380 -0.103 0.066 0.448 101 N N -1.954 116.781 118.700 0.059 0.000 2.756 101 N HA -0.465 4.205 4.740 -0.117 0.000 0.248 101 N C -1.212 174.268 175.510 -0.051 0.000 1.062 101 N CA 1.384 54.373 53.050 -0.101 0.000 0.696 101 N CB -1.499 36.799 38.487 -0.316 0.000 0.946 101 N HN 0.635 9.070 8.380 0.091 0.000 0.548 102 D N -0.868 119.551 120.400 0.031 0.000 2.608 102 D HA 0.080 4.694 4.640 -0.043 0.000 0.224 102 D C -1.880 174.324 176.300 -0.160 0.000 1.123 102 D CA -0.534 53.474 54.000 0.013 0.000 1.030 102 D CB -0.710 40.206 40.800 0.193 0.000 1.093 102 D HN 0.024 8.430 8.370 0.060 0.000 0.497 103 I N 2.036 122.435 120.570 -0.286 0.000 2.722 103 I HA 0.660 4.907 4.170 -0.160 -0.173 0.295 103 I C -3.044 173.002 176.117 -0.118 0.000 1.161 103 I CA -1.470 59.682 61.300 -0.246 0.000 1.032 103 I CB 4.203 41.920 38.000 -0.472 0.000 1.244 103 I HN -0.154 7.824 8.210 -0.300 0.052 0.421 104 M N 7.015 126.629 119.600 0.023 0.000 2.446 104 M HA 0.681 5.466 4.480 0.218 -0.174 0.294 104 M C -2.681 173.761 176.300 0.236 0.000 1.158 104 M CA -1.249 54.141 55.300 0.149 0.000 0.899 104 M CB 4.855 37.502 32.600 0.078 0.000 1.687 104 M HN 0.387 8.686 8.290 0.015 0.000 0.455 105 L N 4.071 125.487 121.223 0.323 0.000 2.307 105 L HA 0.764 5.473 4.340 0.311 -0.182 0.284 105 L C -1.279 175.793 176.870 0.336 0.000 1.023 105 L CA -1.336 53.711 54.840 0.344 0.000 0.810 105 L CB 2.675 44.923 42.059 0.315 0.000 1.231 105 L HN 0.440 8.892 8.230 0.370 0.000 0.423 106 I N 3.009 123.740 120.570 0.269 0.000 2.362 106 I HA 0.495 4.892 4.170 0.070 -0.185 0.289 106 I C -1.330 174.701 176.117 -0.143 0.000 0.994 106 I CA -1.340 60.008 61.300 0.081 0.000 1.158 106 I CB 2.261 40.278 38.000 0.028 0.000 1.315 106 I HN 0.859 9.238 8.210 0.282 0.000 0.451 107 K N 7.707 127.780 120.400 -0.545 0.000 2.227 107 K HA 0.490 4.250 4.320 -1.517 -0.350 0.280 107 K C -0.773 175.506 176.600 -0.534 0.000 1.041 107 K CA -1.366 54.257 56.287 -1.106 0.000 0.905 107 K CB 1.970 33.628 32.500 -1.403 0.000 1.068 107 K HN 0.348 8.377 8.250 -0.369 0.000 0.470 108 L N 5.835 126.787 121.223 -0.452 0.000 2.397 108 L HA -0.045 4.181 4.340 -0.189 0.000 0.271 108 L C 0.903 177.643 176.870 -0.216 0.000 1.148 108 L CA 0.468 55.162 54.840 -0.244 0.000 0.825 108 L CB 0.165 42.125 42.059 -0.164 0.000 1.117 108 L HN 0.507 8.406 8.230 -0.552 0.000 0.456 109 K N 3.003 123.321 120.400 -0.138 0.000 2.147 109 K HA -0.325 3.924 4.320 -0.119 0.000 0.205 109 K C -0.628 175.920 176.600 -0.086 0.000 1.049 109 K CA 2.462 58.686 56.287 -0.105 0.000 0.936 109 K CB 0.365 32.824 32.500 -0.069 0.000 0.722 109 K HN 0.477 8.657 8.250 -0.116 0.000 0.446 110 S N -3.570 112.086 115.700 -0.074 0.000 2.595 110 S HA 0.078 4.516 4.470 -0.054 0.000 0.281 110 S C -1.595 172.975 174.600 -0.051 0.000 1.117 110 S CA -1.680 56.489 58.200 -0.052 0.000 0.873 110 S CB 2.833 66.015 63.200 -0.031 0.000 1.108 110 S HN -0.725 7.527 8.310 -0.074 0.014 0.477 111 A N 1.245 124.046 122.820 -0.033 0.000 2.462 111 A HA -0.113 4.319 4.320 -0.028 -0.128 0.243 111 A C -0.082 177.500 177.584 -0.003 0.000 1.076 111 A CA 0.126 52.153 52.037 -0.016 0.000 0.773 111 A CB 0.306 19.309 19.000 0.004 0.000 1.010 111 A HN 0.042 8.176 8.150 -0.026 0.000 0.493 112 A N 3.697 126.522 122.820 0.008 0.000 2.445 112 A HA -0.057 4.376 4.320 0.016 -0.103 0.242 112 A C -0.178 177.420 177.584 0.022 0.000 1.075 112 A CA -0.312 51.737 52.037 0.020 0.000 0.777 112 A CB 0.979 20.000 19.000 0.034 0.000 1.013 112 A HN 0.175 8.330 8.150 0.008 0.000 0.493 113 S N 1.910 117.621 115.700 0.019 0.000 2.474 113 S HA -0.069 4.412 4.470 0.018 0.000 0.276 113 S C -1.000 173.616 174.600 0.026 0.000 1.227 113 S CA 0.229 58.440 58.200 0.019 0.000 1.050 113 S CB 0.384 63.590 63.200 0.010 0.000 0.939 113 S HN -0.061 8.571 8.310 0.017 -0.312 0.490 114 L N 6.476 127.718 121.223 0.030 0.000 2.312 114 L HA 0.228 4.728 4.340 0.042 -0.134 0.281 114 L C -0.403 176.486 176.870 0.031 0.000 1.070 114 L CA -0.510 54.352 54.840 0.037 0.000 0.805 114 L CB 0.517 42.602 42.059 0.043 0.000 1.174 114 L HN 0.294 8.541 8.230 0.028 0.000 0.434 115 N N 3.828 122.548 118.700 0.034 0.000 3.364 115 N HA 0.184 4.940 4.740 0.026 0.000 0.294 115 N C -0.446 175.084 175.510 0.033 0.000 1.562 115 N CA -0.513 52.554 53.050 0.028 0.000 0.862 115 N CB 0.723 39.223 38.487 0.021 0.000 1.691 115 N HN 0.274 8.678 8.380 0.040 0.000 0.572 116 S N -1.744 113.973 115.700 0.028 0.000 2.447 116 S HA -0.264 4.226 4.470 0.034 0.000 0.233 116 S C 0.576 175.195 174.600 0.031 0.000 1.006 116 S CA 2.948 61.166 58.200 0.030 0.000 0.957 116 S CB -0.302 62.912 63.200 0.024 0.000 0.773 116 S HN 0.317 8.641 8.310 0.023 0.000 0.507 117 R N -1.497 119.020 120.500 0.028 0.000 2.265 117 R HA 0.162 4.515 4.340 0.022 0.000 0.194 117 R C -1.220 175.101 176.300 0.034 0.000 0.931 117 R CA 0.504 56.620 56.100 0.027 0.000 1.032 117 R CB 1.522 31.837 30.300 0.024 0.000 0.980 117 R HN -0.396 8.097 8.270 0.027 -0.207 0.497 118 V N -0.949 118.990 119.914 0.043 0.000 2.447 118 V HA 0.412 4.742 4.120 0.059 -0.174 0.292 118 V C -2.164 173.972 176.094 0.069 0.000 1.021 118 V CA -1.946 60.387 62.300 0.056 0.000 0.850 118 V CB 1.753 33.608 31.823 0.053 0.000 1.005 118 V HN -0.555 7.715 8.190 0.041 -0.056 0.426 119 A N 6.820 129.698 122.820 0.096 0.000 2.549 119 A HA 0.481 4.855 4.320 0.091 0.000 0.297 119 A C -2.884 174.795 177.584 0.158 0.000 1.061 119 A CA -1.113 50.990 52.037 0.111 0.000 0.690 119 A CB 3.160 22.225 19.000 0.109 0.000 1.287 119 A HN 0.043 8.158 8.150 0.105 0.098 0.402 120 S N -0.675 115.101 115.700 0.126 0.000 2.632 120 S HA 0.431 5.164 4.470 0.154 -0.171 0.267 120 S C -0.497 174.155 174.600 0.086 0.000 1.276 120 S CA -0.785 57.488 58.200 0.121 0.000 0.998 120 S CB 1.203 64.454 63.200 0.085 0.000 0.953 120 S HN -0.028 8.343 8.310 0.100 0.000 0.547 121 I N 1.390 121.962 120.570 0.003 0.000 2.474 121 I HA 0.215 4.289 4.170 -0.160 0.000 0.294 121 I C -0.984 175.072 176.117 -0.102 0.000 1.005 121 I CA -1.450 59.743 61.300 -0.178 0.000 1.113 121 I CB 3.595 41.244 38.000 -0.584 0.000 1.289 121 I HN 0.257 8.489 8.210 0.036 0.000 0.436 122 S N 7.806 123.450 115.700 -0.093 0.000 2.576 122 S HA 0.110 4.561 4.470 -0.032 0.000 0.276 122 S C -0.226 174.341 174.600 -0.054 0.000 1.339 122 S CA 0.272 58.440 58.200 -0.054 0.000 1.039 122 S CB 0.651 63.824 63.200 -0.045 0.000 0.902 122 S HN 0.491 8.736 8.310 -0.109 0.000 0.516 123 L N 2.988 124.196 121.223 -0.024 0.000 2.453 123 L HA 0.010 4.349 4.340 -0.003 0.000 0.261 123 L C -1.355 175.508 176.870 -0.011 0.000 1.179 123 L CA -1.577 53.260 54.840 -0.006 0.000 0.813 123 L CB -0.230 41.838 42.059 0.014 0.000 1.110 123 L HN 0.117 8.336 8.230 -0.018 0.000 0.466 124 P HA 0.128 4.532 4.420 -0.027 0.000 0.274 124 P C -0.631 176.663 177.300 -0.010 0.000 1.237 124 P CA -0.570 62.522 63.100 -0.015 0.000 0.793 124 P CB 0.438 32.131 31.700 -0.012 0.000 0.977 128 c N 0.860 119.424 118.600 -0.060 0.000 2.689 128 c HA -0.060 4.454 4.570 -0.094 0.000 0.409 128 c C 0.832 174.850 174.090 -0.120 0.000 1.293 128 c CA 0.279 56.553 56.329 -0.091 0.000 2.136 128 c CB -0.300 42.159 42.510 -0.084 0.000 2.719 128 c HN 0.140 8.339 8.230 -0.052 0.000 0.644 129 A N 4.489 127.196 122.820 -0.189 0.000 2.351 129 A HA 0.050 4.277 4.320 -0.154 0.000 0.257 129 A C -0.936 176.533 177.584 -0.192 0.000 1.087 129 A CA 0.138 52.051 52.037 -0.207 0.000 0.798 129 A CB 0.546 19.362 19.000 -0.305 0.000 1.033 129 A HN 0.396 8.409 8.150 -0.229 0.000 0.488 133 G N 1.269 110.035 108.800 -0.057 0.000 2.176 133 G HA2 -0.359 3.577 3.960 -0.040 0.000 0.253 133 G HA3 -0.359 3.571 3.960 -0.050 0.000 0.253 133 G C -0.471 174.398 174.900 -0.052 0.000 0.979 133 G CA 0.084 45.154 45.100 -0.049 0.000 0.641 133 G HN 0.558 8.811 8.290 -0.060 0.000 0.530 134 T N 4.626 119.141 114.554 -0.066 0.000 2.884 134 T HA -0.098 4.224 4.350 -0.048 0.000 0.298 134 T C -1.246 173.419 174.700 -0.059 0.000 0.998 134 T CA 1.566 63.629 62.100 -0.062 0.000 1.124 134 T CB 0.786 69.607 68.868 -0.080 0.000 0.931 134 T HN -0.587 7.534 8.240 -0.077 0.072 0.531 135 Q N 5.435 125.213 119.800 -0.037 0.000 2.314 135 Q HA -0.120 4.201 4.340 -0.031 0.000 0.258 135 Q C -1.392 174.596 176.000 -0.021 0.000 0.954 135 Q CA 1.155 56.945 55.803 -0.022 0.000 0.890 135 Q CB 1.018 29.760 28.738 0.006 0.000 1.210 135 Q HN 0.378 8.630 8.270 -0.030 0.000 0.410 136 c N 3.583 122.173 118.600 -0.018 0.000 2.848 136 c HA 0.719 5.414 4.570 -0.012 -0.132 0.317 136 c C -1.576 172.526 174.090 0.019 0.000 1.260 136 c CA -1.540 54.780 56.329 -0.014 0.000 1.656 136 c CB 3.857 46.340 42.510 -0.046 0.000 2.174 136 c HN 0.453 8.565 8.230 -0.019 0.107 0.479 137 L N 1.127 122.368 121.223 0.030 0.000 2.305 137 L HA 0.791 5.340 4.340 0.061 -0.173 0.284 137 L C -2.085 174.800 176.870 0.025 0.000 1.013 137 L CA -1.344 53.526 54.840 0.051 0.000 0.819 137 L CB 2.904 45.014 42.059 0.085 0.000 1.227 137 L HN 0.509 8.754 8.230 0.025 0.000 0.417 138 I N 7.469 128.038 120.570 -0.003 0.000 2.441 138 I HA 0.879 5.275 4.170 -0.001 -0.227 0.295 138 I C -1.279 174.803 176.117 -0.057 0.000 0.994 138 I CA -1.678 59.613 61.300 -0.015 0.000 1.144 138 I CB 2.184 40.176 38.000 -0.013 0.000 1.314 138 I HN 0.742 8.955 8.210 0.004 0.000 0.445 139 S N 3.119 118.778 115.700 -0.068 0.000 2.579 139 S HA 0.944 5.432 4.470 -0.220 -0.150 0.272 139 S C -1.214 173.270 174.600 -0.195 0.000 1.141 139 S CA -1.795 56.291 58.200 -0.189 0.000 0.843 139 S CB 3.665 66.707 63.200 -0.264 0.000 1.122 139 S HN -0.178 8.120 8.310 -0.019 0.000 0.468 140 G N -1.013 107.582 108.800 -0.341 0.000 2.313 140 G HA2 0.189 4.262 3.960 -0.077 0.000 0.296 140 G HA3 0.189 3.893 3.960 -0.426 0.000 0.296 140 G C -2.065 172.617 174.900 -0.363 0.000 1.356 140 G CA 0.621 45.536 45.100 -0.308 0.000 0.833 140 G HN 0.137 8.178 8.290 -0.414 0.000 0.552 141 W N 0.591 121.861 121.300 -0.049 0.000 3.223 141 W HA 0.340 4.959 4.660 -0.067 0.000 0.389 141 W C 0.004 176.572 176.519 0.082 0.000 1.118 141 W CA -0.840 56.446 57.345 -0.099 0.000 1.902 141 W CB 0.288 29.504 29.460 -0.406 0.000 1.094 141 W HN 0.563 8.890 8.180 0.245 0.000 0.666 142 G N 0.777 109.765 108.800 0.315 0.000 2.588 142 G HA2 -0.043 4.207 3.960 0.311 0.000 0.278 142 G HA3 -0.043 4.280 3.960 0.556 -0.029 0.278 142 G C -1.055 173.992 174.900 0.245 0.000 1.307 142 G CA -0.706 44.623 45.100 0.383 0.000 1.016 142 G HN -0.355 8.296 8.290 0.221 -0.229 0.503 143 N N -0.529 118.236 118.700 0.108 0.000 2.407 143 N HA -0.285 4.197 4.740 -0.723 -0.176 0.250 143 N C 0.853 176.286 175.510 -0.129 0.000 1.236 143 N CA 1.008 53.864 53.050 -0.325 0.000 0.879 143 N CB 0.603 38.905 38.487 -0.309 0.000 1.088 143 N HN 0.180 8.726 8.380 0.276 0.000 0.450 144 T N 0.481 114.939 114.554 -0.160 0.000 3.069 144 T HA 0.179 4.627 4.350 -0.047 -0.126 0.252 144 T C 0.362 175.020 174.700 -0.069 0.000 1.053 144 T CA 0.444 62.497 62.100 -0.077 0.000 0.964 144 T CB 1.373 70.209 68.868 -0.053 0.000 1.005 144 T HN 0.242 8.334 8.240 -0.246 0.000 0.532 145 K N 2.520 122.862 120.400 -0.096 0.000 2.259 145 K HA 0.328 4.622 4.320 -0.043 0.000 0.252 145 K C -0.208 176.367 176.600 -0.041 0.000 0.936 145 K CA -1.323 54.927 56.287 -0.063 0.000 0.810 145 K CB 2.604 35.061 32.500 -0.072 0.000 1.143 145 K HN -0.587 7.802 8.250 -0.144 -0.225 0.427 146 S N 0.147 115.836 115.700 -0.018 0.000 2.501 146 S HA -0.116 4.356 4.470 0.004 0.000 0.220 146 S C -0.034 174.566 174.600 0.001 0.000 0.997 146 S CA 1.306 59.506 58.200 -0.001 0.000 0.919 146 S CB 0.731 63.936 63.200 0.009 0.000 0.778 146 S HN 0.282 8.582 8.310 -0.017 0.000 0.523 147 S N -0.914 114.781 115.700 -0.007 0.000 2.707 147 S HA 0.137 4.609 4.470 0.004 0.000 0.303 147 S C -0.415 174.179 174.600 -0.011 0.000 1.132 147 S CA -0.619 57.580 58.200 -0.003 0.000 1.046 147 S CB 1.047 64.248 63.200 0.000 0.000 1.004 147 S HN -0.767 7.495 8.310 -0.014 0.039 0.483 148 G N 4.142 112.938 108.800 -0.006 0.000 2.660 148 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.215 148 G HA3 -0.250 3.711 3.960 0.002 0.000 0.215 148 G C -2.300 172.575 174.900 -0.041 0.000 1.345 148 G CA -0.528 44.566 45.100 -0.011 0.000 0.877 148 G HN 0.145 8.436 8.290 0.002 0.000 0.549 149 T N -3.374 111.145 114.554 -0.057 0.000 2.952 149 T HA 0.027 4.430 4.350 -0.230 -0.192 0.305 149 T C -1.747 172.846 174.700 -0.178 0.000 1.064 149 T CA -0.796 61.211 62.100 -0.155 0.000 1.008 149 T CB 3.317 72.156 68.868 -0.049 0.000 1.078 149 T HN -0.065 8.156 8.240 -0.033 0.000 0.459 150 S N 3.192 118.683 115.700 -0.347 0.000 2.720 150 S HA 0.226 4.640 4.470 -0.094 0.000 0.278 150 S C -2.190 172.206 174.600 -0.339 0.000 1.172 150 S CA -0.102 57.968 58.200 -0.217 0.000 1.019 150 S CB 1.997 65.137 63.200 -0.100 0.000 1.049 150 S HN 0.592 8.957 8.310 -0.489 -0.349 0.483 151 Y N 5.626 125.962 120.300 0.060 0.000 2.328 151 Y HA 0.199 4.800 4.550 0.085 0.000 0.337 151 Y C -1.142 174.802 175.900 0.074 0.000 1.008 151 Y CA -2.801 55.346 58.100 0.077 0.000 1.129 151 Y CB 0.705 39.218 38.460 0.088 0.000 1.185 151 Y HN 0.155 8.527 8.280 0.153 0.000 0.476 152 P HA 0.115 4.606 4.420 0.117 0.000 0.279 152 P C -0.965 176.453 177.300 0.196 0.000 1.252 152 P CA -0.936 62.259 63.100 0.158 0.000 0.811 152 P CB 1.375 33.145 31.700 0.118 0.000 1.035 153 D N -1.184 119.305 120.400 0.149 0.000 2.162 153 D HA -0.095 4.615 4.640 0.116 0.000 0.203 153 D C -0.544 175.891 176.300 0.225 0.000 0.967 153 D CA 2.120 56.204 54.000 0.141 0.000 0.840 153 D CB 0.890 41.744 40.800 0.090 0.000 0.972 153 D HN 0.493 8.934 8.370 0.118 0.000 0.482 154 V N -8.669 111.371 119.914 0.210 0.000 2.975 154 V HA 0.536 5.086 4.120 0.348 -0.221 0.318 154 V C -0.875 175.285 176.094 0.109 0.000 1.077 154 V CA -2.800 59.636 62.300 0.226 0.000 1.000 154 V CB 2.090 33.977 31.823 0.106 0.000 1.066 154 V HN -0.942 7.339 8.190 0.152 0.000 0.452 155 L N 1.286 122.465 121.223 -0.075 0.000 2.453 155 L HA -0.023 3.543 4.340 -1.291 0.000 0.272 155 L C -0.346 176.269 176.870 -0.424 0.000 1.182 155 L CA 0.750 55.181 54.840 -0.682 0.000 0.858 155 L CB 0.727 42.347 42.059 -0.732 0.000 1.120 155 L HN -0.132 8.325 8.230 0.078 -0.181 0.474 156 K N 5.039 125.165 120.400 -0.456 0.000 2.156 156 K HA 0.698 4.977 4.320 -0.333 -0.159 0.250 156 K C -1.126 175.217 176.600 -0.427 0.000 0.955 156 K CA -2.563 53.513 56.287 -0.353 0.000 0.855 156 K CB 2.569 34.937 32.500 -0.219 0.000 1.101 156 K HN -0.244 7.666 8.250 -0.567 0.000 0.434 157 c N -1.017 117.238 118.600 -0.575 0.000 2.802 157 c HA 0.912 5.395 4.570 -0.426 -0.168 0.307 157 c C -1.928 171.819 174.090 -0.571 0.000 1.222 157 c CA -0.638 55.290 56.329 -0.668 0.000 1.580 157 c CB 3.833 45.712 42.510 -1.052 0.000 2.119 157 c HN 0.495 8.346 8.230 -0.631 0.000 0.479 158 L N 1.120 122.216 121.223 -0.211 0.000 2.505 158 L HA 0.508 4.939 4.340 0.151 0.000 0.266 158 L C -2.400 174.562 176.870 0.154 0.000 0.954 158 L CA -0.194 54.678 54.840 0.054 0.000 0.852 158 L CB 4.502 46.601 42.059 0.068 0.000 1.282 158 L HN 0.624 8.748 8.230 -0.177 0.000 0.403 159 K N 6.452 127.014 120.400 0.271 0.000 2.258 159 K HA 0.720 5.346 4.320 0.159 -0.210 0.284 159 K C -0.723 176.018 176.600 0.235 0.000 1.051 159 K CA -0.144 56.269 56.287 0.210 0.000 0.923 159 K CB 0.626 33.247 32.500 0.201 0.000 1.046 159 K HN 0.412 8.874 8.250 0.354 0.000 0.474 160 A N 4.303 127.193 122.820 0.117 0.000 2.517 160 A HA 0.530 4.835 4.320 -0.024 0.000 0.297 160 A C -3.436 174.080 177.584 -0.112 0.000 1.050 160 A CA -2.324 49.712 52.037 -0.003 0.000 0.694 160 A CB 2.985 21.993 19.000 0.014 0.000 1.277 160 A HN 0.685 8.878 8.150 0.073 0.000 0.400 161 P HA 0.614 5.175 4.420 -0.101 -0.201 0.284 161 P C -0.855 176.374 177.300 -0.119 0.000 1.258 161 P CA -1.514 61.494 63.100 -0.153 0.000 0.824 161 P CB 1.535 33.136 31.700 -0.165 0.000 1.038 162 I N 0.001 120.526 120.570 -0.075 0.000 2.648 162 I HA -0.162 4.160 4.170 0.063 -0.115 0.284 162 I C 0.177 176.280 176.117 -0.022 0.000 1.153 162 I CA 1.275 62.560 61.300 -0.026 0.000 1.426 162 I CB -0.206 37.720 38.000 -0.124 0.000 1.381 162 I HN -0.117 8.042 8.210 -0.086 0.000 0.571 163 L N 6.865 128.110 121.223 0.037 0.000 2.375 163 L HA 0.294 4.628 4.340 -0.010 0.000 0.268 163 L C -0.486 176.407 176.870 0.038 0.000 1.058 163 L CA -1.313 53.540 54.840 0.022 0.000 0.803 163 L CB 0.985 43.066 42.059 0.035 0.000 1.212 163 L HN 0.166 8.459 8.230 0.106 0.000 0.451 164 S N -0.896 114.817 115.700 0.022 0.000 2.563 164 S HA -0.188 4.290 4.470 0.014 0.000 0.284 164 S C 0.688 175.317 174.600 0.047 0.000 1.331 164 S CA -0.427 57.787 58.200 0.023 0.000 1.047 164 S CB 1.262 64.470 63.200 0.014 0.000 0.859 164 S HN 0.069 8.386 8.310 0.012 0.000 0.514 165 D N 2.644 123.072 120.400 0.046 0.000 2.123 165 D HA -0.336 4.354 4.640 0.083 0.000 0.196 165 D C 1.765 178.099 176.300 0.057 0.000 0.992 165 D CA 4.140 58.177 54.000 0.062 0.000 0.833 165 D CB -0.337 40.493 40.800 0.050 0.000 0.954 165 D HN 0.535 8.924 8.370 0.033 0.000 0.455 166 S N -1.806 113.918 115.700 0.040 0.000 2.368 166 S HA -0.267 4.227 4.470 0.040 0.000 0.225 166 S C 2.036 176.659 174.600 0.038 0.000 1.030 166 S CA 3.623 61.844 58.200 0.036 0.000 0.999 166 S CB -0.584 62.630 63.200 0.024 0.000 0.844 166 S HN -0.008 8.312 8.310 0.033 0.009 0.459 167 S N 2.489 118.210 115.700 0.035 0.000 2.402 167 S HA -0.191 4.292 4.470 0.021 0.000 0.229 167 S C 2.034 176.663 174.600 0.047 0.000 1.021 167 S CA 3.140 61.358 58.200 0.030 0.000 0.974 167 S CB -0.450 62.764 63.200 0.023 0.000 0.800 167 S HN -0.214 8.116 8.310 0.033 0.000 0.484 168 c N 3.531 122.176 118.600 0.076 0.000 2.432 168 c HA -0.277 4.376 4.570 0.137 0.000 0.277 168 c C 2.049 176.229 174.090 0.150 0.000 1.249 168 c CA 2.928 59.330 56.329 0.122 0.000 1.725 168 c CB -1.893 40.689 42.510 0.120 0.000 2.028 168 c HN -0.134 8.139 8.230 0.071 0.000 0.477 169 K N -0.821 119.648 120.400 0.114 0.000 2.097 169 K HA -0.370 4.042 4.320 0.154 0.000 0.206 169 K C 2.404 179.058 176.600 0.090 0.000 1.049 169 K CA 3.115 59.471 56.287 0.116 0.000 0.933 169 K CB -0.320 32.232 32.500 0.086 0.000 0.717 169 K HN -0.082 8.225 8.250 0.095 0.000 0.442 170 S N -1.331 114.399 115.700 0.051 0.000 2.368 170 S HA -0.214 4.270 4.470 0.023 0.000 0.225 170 S C 1.622 176.209 174.600 -0.021 0.000 1.030 170 S CA 2.947 61.158 58.200 0.018 0.000 0.999 170 S CB -0.140 63.064 63.200 0.006 0.000 0.844 170 S HN -0.371 7.969 8.310 0.051 0.000 0.459 171 A N -0.482 122.304 122.820 -0.057 0.000 2.014 171 A HA -0.174 4.006 4.320 -0.233 0.000 0.218 171 A C -0.882 176.444 177.584 -0.430 0.000 1.163 171 A CA 2.208 54.090 52.037 -0.258 0.000 0.652 171 A CB 0.999 19.806 19.000 -0.322 0.000 0.808 171 A HN -0.545 7.492 8.150 -0.008 0.108 0.449 172 Y N -5.134 115.199 120.300 0.055 0.000 2.562 172 Y HA 0.592 5.216 4.550 0.123 0.000 0.363 172 Y C -2.609 173.357 175.900 0.111 0.000 0.991 172 Y CA -3.431 54.738 58.100 0.114 0.000 1.121 172 Y CB -0.258 38.304 38.460 0.170 0.000 1.159 172 Y HN -0.621 7.656 8.280 0.114 0.071 0.651 173 P HA -0.061 4.549 4.420 0.105 -0.127 0.264 173 P C 0.928 178.301 177.300 0.121 0.000 1.193 173 P CA 0.819 63.987 63.100 0.113 0.000 0.763 173 P CB 0.094 31.832 31.700 0.065 0.000 0.810 174 G N 4.179 113.040 108.800 0.102 0.000 2.168 174 G HA2 -0.383 3.614 3.960 0.061 0.000 0.263 174 G HA3 -0.383 3.617 3.960 0.066 0.000 0.263 174 G C 0.170 175.125 174.900 0.090 0.000 0.977 174 G CA 0.821 45.968 45.100 0.078 0.000 0.659 174 G HN 0.584 8.932 8.290 0.096 0.000 0.533 175 Q N -2.110 117.783 119.800 0.155 0.000 2.245 175 Q HA 0.101 4.486 4.340 0.076 0.000 0.236 175 Q C -0.377 175.762 176.000 0.231 0.000 0.842 175 Q CA -0.239 55.664 55.803 0.168 0.000 0.945 175 Q CB 1.622 30.509 28.738 0.249 0.000 1.122 175 Q HN -0.468 7.864 8.270 0.194 0.054 0.506 176 I N 0.536 121.235 120.570 0.215 0.000 2.304 176 I HA 0.027 4.338 4.170 0.235 0.000 0.291 176 I C 0.209 176.405 176.117 0.132 0.000 1.018 176 I CA -1.878 59.536 61.300 0.190 0.000 1.260 176 I CB -1.284 36.812 38.000 0.159 0.000 1.390 176 I HN -0.427 7.900 8.210 0.196 0.000 0.475 177 T N 3.297 117.926 114.554 0.125 0.000 2.849 177 T HA 0.305 4.698 4.350 0.071 0.000 0.276 177 T C 1.083 175.835 174.700 0.087 0.000 0.971 177 T CA -1.923 60.229 62.100 0.087 0.000 0.949 177 T CB 2.401 71.311 68.868 0.071 0.000 1.093 177 T HN -0.343 7.989 8.240 0.153 0.000 0.545 178 S N -1.772 113.964 115.700 0.059 0.000 2.469 178 S HA -0.254 4.251 4.470 0.057 0.000 0.238 178 S C 0.654 175.292 174.600 0.063 0.000 0.998 178 S CA 2.456 60.685 58.200 0.049 0.000 0.957 178 S CB -0.249 62.959 63.200 0.014 0.000 0.764 178 S HN 0.337 8.674 8.310 0.045 0.000 0.514 179 N N 0.511 119.263 118.700 0.086 0.000 2.276 179 N HA 0.114 4.927 4.740 0.122 0.000 0.212 179 N C -1.423 174.211 175.510 0.208 0.000 1.127 179 N CA 0.137 53.274 53.050 0.145 0.000 0.834 179 N CB 0.772 39.364 38.487 0.174 0.000 1.014 179 N HN -0.686 7.684 8.380 0.081 0.059 0.491 180 M N -1.615 118.097 119.600 0.186 0.000 2.572 180 M HA 0.773 5.534 4.480 0.130 -0.203 0.299 180 M C -2.132 174.306 176.300 0.229 0.000 1.205 180 M CA -0.562 54.830 55.300 0.153 0.000 0.876 180 M CB 4.686 37.349 32.600 0.106 0.000 1.728 180 M HN -0.735 7.568 8.290 0.164 0.085 0.458 181 F N -4.723 115.263 119.950 0.062 0.000 2.643 181 F HA 0.620 5.168 4.527 0.035 0.000 0.314 181 F C -2.824 173.018 175.800 0.069 0.000 1.096 181 F CA -2.176 55.856 58.000 0.053 0.000 0.953 181 F CB 2.484 41.514 39.000 0.050 0.000 1.345 181 F HN 0.307 8.515 8.300 -0.152 0.000 0.468 182 c N -0.530 118.206 118.600 0.226 0.000 2.391 182 c HA 0.975 5.774 4.570 0.034 -0.208 0.339 182 c C -0.954 173.313 174.090 0.294 0.000 1.205 182 c CA -1.063 55.355 56.329 0.148 0.000 1.937 182 c CB 2.344 44.917 42.510 0.105 0.000 2.341 182 c HN 0.806 9.220 8.230 0.307 0.000 0.516 183 A N 3.298 126.274 122.820 0.260 0.000 2.499 183 A HA 0.642 5.147 4.320 0.087 -0.133 0.280 183 A C -2.462 175.170 177.584 0.080 0.000 1.135 183 A CA -0.497 51.617 52.037 0.129 0.000 0.744 183 A CB 2.532 21.532 19.000 -0.000 0.000 1.213 183 A HN 0.218 8.565 8.150 0.327 0.000 0.434 184 Y N 2.467 122.802 120.300 0.058 0.000 2.367 184 Y HA 0.099 4.672 4.550 0.038 0.000 0.342 184 Y C 0.834 176.753 175.900 0.031 0.000 0.979 184 Y CA -0.598 57.526 58.100 0.040 0.000 1.161 184 Y CB 0.889 39.369 38.460 0.035 0.000 1.155 184 Y HN 0.171 8.563 8.280 0.187 0.000 0.503 185 L N 3.981 125.280 121.223 0.127 0.000 2.265 185 L HA -0.356 4.020 4.340 0.060 0.000 0.215 185 L C 1.083 178.000 176.870 0.079 0.000 1.117 185 L CA 2.467 57.353 54.840 0.076 0.000 0.782 185 L CB -0.435 41.649 42.059 0.041 0.000 0.914 185 L HN 0.510 8.800 8.230 0.100 0.000 0.441 186 E N -2.879 117.387 120.200 0.110 0.000 2.418 186 E HA -0.129 4.251 4.350 0.049 0.000 0.197 186 E C 0.868 177.504 176.600 0.059 0.000 1.026 186 E CA 0.114 56.556 56.400 0.071 0.000 0.862 186 E CB -0.558 29.181 29.700 0.065 0.000 0.799 186 E HN 0.023 8.442 8.360 0.153 0.032 0.518 187 G N 0.771 109.624 108.800 0.087 0.000 3.399 187 G HA2 -0.371 3.653 3.960 0.045 0.000 0.685 187 G HA3 -0.371 3.641 3.960 0.087 0.000 0.685 187 G C -0.961 173.959 174.900 0.033 0.000 0.952 187 G CA -0.077 45.063 45.100 0.067 0.000 0.793 187 G HN -0.538 7.661 8.290 0.131 0.169 0.492 188 K N 1.386 121.797 120.400 0.018 0.000 6.958 188 K HA -0.584 4.002 4.320 0.035 -0.245 0.778 188 K C -1.574 175.135 176.600 0.182 0.000 2.415 188 K CA 0.316 56.638 56.287 0.057 0.000 1.749 188 K CB 0.124 32.580 32.500 -0.072 0.000 2.102 188 K HN 0.211 8.496 8.250 0.058 0.000 0.285 189 D N 1.049 121.534 120.400 0.141 0.000 2.710 189 D HA 0.267 5.026 4.640 0.199 0.000 0.276 189 D C -1.708 174.667 176.300 0.125 0.000 1.267 189 D CA -0.665 53.426 54.000 0.153 0.000 0.772 189 D CB 3.858 44.729 40.800 0.118 0.000 1.299 189 D HN 0.028 8.460 8.370 0.104 0.000 0.421 190 S N -0.981 114.808 115.700 0.148 0.000 2.655 190 S HA 0.163 4.767 4.470 0.102 -0.072 0.265 190 S C -1.249 173.398 174.600 0.079 0.000 1.240 190 S CA 0.170 58.441 58.200 0.119 0.000 0.986 190 S CB 1.256 64.557 63.200 0.167 0.000 0.985 190 S HN 0.075 8.501 8.310 0.193 0.000 0.562 191 c N -1.489 117.164 118.600 0.090 0.000 3.284 191 c HA 0.182 4.798 4.570 0.077 0.000 0.348 191 c C -1.338 172.838 174.090 0.143 0.000 1.448 191 c CA -0.258 56.126 56.329 0.091 0.000 1.223 191 c CB 2.968 45.517 42.510 0.065 0.000 1.588 191 c HN 0.108 8.637 8.230 0.106 -0.235 0.451 192 Q N 2.037 121.935 119.800 0.164 0.000 2.286 192 Q HA -0.137 4.330 4.340 0.213 0.000 0.290 192 Q C 1.225 177.431 176.000 0.343 0.000 1.049 192 Q CA 2.042 57.986 55.803 0.234 0.000 0.923 192 Q CB 0.261 29.142 28.738 0.238 0.000 1.183 192 Q HN 0.764 9.115 8.270 0.134 0.000 0.383 193 G N 5.105 114.097 108.800 0.321 0.000 2.213 193 G HA2 -0.442 3.807 3.960 0.482 0.000 0.226 193 G HA3 -0.442 3.711 3.960 0.322 0.000 0.226 193 G C 0.407 175.536 174.900 0.382 0.000 0.992 193 G CA 0.899 46.229 45.100 0.383 0.000 0.632 193 G HN 0.700 9.154 8.290 0.273 0.000 0.511 194 D N 0.630 121.191 120.400 0.268 0.000 2.346 194 D HA 0.119 4.904 4.640 0.242 0.000 0.206 194 D C 0.095 176.495 176.300 0.166 0.000 1.001 194 D CA 0.798 54.925 54.000 0.212 0.000 0.871 194 D CB 0.621 41.515 40.800 0.157 0.000 0.943 194 D HN 0.080 8.523 8.370 0.245 0.074 0.518 195 S N -0.874 114.925 115.700 0.166 0.000 2.599 195 S HA -0.579 4.130 4.470 0.159 -0.144 0.303 195 S C 1.045 175.661 174.600 0.026 0.000 1.267 195 S CA 2.711 60.995 58.200 0.140 0.000 1.055 195 S CB 0.255 63.606 63.200 0.253 0.000 0.790 195 S HN -0.265 8.161 8.310 0.194 0.000 0.500 196 G N 4.561 113.365 108.800 0.006 0.000 2.241 196 G HA2 -0.440 3.597 3.960 -0.084 0.000 0.244 196 G HA3 -0.440 3.565 3.960 -0.046 -0.073 0.244 196 G C -0.345 174.582 174.900 0.045 0.000 0.998 196 G CA 0.161 45.243 45.100 -0.029 0.000 0.621 196 G HN 0.753 8.964 8.290 0.047 0.107 0.519 197 G N 0.967 109.819 108.800 0.087 0.000 2.621 197 G HA2 0.361 4.385 3.960 0.106 0.000 0.271 197 G HA3 0.361 4.453 3.960 0.108 -0.067 0.271 197 G C -2.637 172.342 174.900 0.132 0.000 1.236 197 G CA -1.987 43.179 45.100 0.110 0.000 0.958 197 G HN -0.402 7.855 8.290 0.094 0.089 0.512 198 P HA 0.281 4.910 4.420 0.143 -0.123 0.282 198 P C -1.563 175.801 177.300 0.106 0.000 1.249 198 P CA -0.841 62.353 63.100 0.157 0.000 0.806 198 P CB 1.600 33.476 31.700 0.293 0.000 0.984 199 V N 2.192 122.148 119.914 0.071 0.000 2.376 199 V HA 0.297 4.570 4.120 -0.020 -0.166 0.287 199 V C -1.166 174.941 176.094 0.022 0.000 1.015 199 V CA -1.414 60.887 62.300 0.001 0.000 0.834 199 V CB 0.861 32.634 31.823 -0.084 0.000 1.001 199 V HN 0.042 8.288 8.190 0.093 0.000 0.428 200 V N 8.466 128.388 119.914 0.014 0.000 2.417 200 V HA 0.540 4.824 4.120 -0.055 -0.197 0.291 200 V C -1.293 174.786 176.094 -0.025 0.000 1.024 200 V CA -1.025 61.259 62.300 -0.026 0.000 0.861 200 V CB 2.349 34.148 31.823 -0.039 0.000 0.985 200 V HN 0.382 8.591 8.190 0.031 0.000 0.436 201 c N 6.966 125.537 118.600 -0.049 0.000 2.609 201 c HA 0.601 5.149 4.570 -0.036 0.000 0.313 201 c C 0.187 174.245 174.090 -0.053 0.000 1.175 201 c CA -1.282 55.015 56.329 -0.052 0.000 1.434 201 c CB 3.147 45.606 42.510 -0.086 0.000 2.005 201 c HN 0.541 8.734 8.230 -0.061 0.000 0.471 202 S N 3.355 119.032 115.700 -0.039 0.000 3.533 202 S HA -0.430 4.024 4.470 -0.026 0.000 0.347 202 S C 0.414 174.992 174.600 -0.037 0.000 1.101 202 S CA 1.315 59.494 58.200 -0.036 0.000 1.009 202 S CB -1.410 61.764 63.200 -0.043 0.000 0.916 202 S HN 1.170 9.462 8.310 -0.031 0.000 0.496 203 G N -4.088 104.690 108.800 -0.037 0.000 2.162 203 G HA2 -0.465 3.474 3.960 -0.034 0.000 0.260 203 G HA3 -0.465 3.471 3.960 -0.040 0.000 0.260 203 G C -1.055 173.795 174.900 -0.082 0.000 0.976 203 G CA 0.509 45.582 45.100 -0.046 0.000 0.655 203 G HN 0.400 8.641 8.290 -0.030 0.030 0.533 210 Q N 1.085 120.899 119.800 0.024 0.000 2.396 210 Q HA 0.240 4.601 4.340 0.036 0.000 0.220 210 Q C -0.322 175.826 176.000 0.246 0.000 0.900 210 Q CA 0.348 56.180 55.803 0.049 0.000 0.925 210 Q CB 2.654 31.341 28.738 -0.085 0.000 1.065 210 Q HN 0.378 8.654 8.270 0.010 0.000 0.535 211 G N -3.136 105.835 108.800 0.286 0.000 2.672 211 G HA2 0.630 4.860 3.960 0.450 0.000 0.292 211 G HA3 0.630 5.132 3.960 0.475 -0.256 0.292 211 G C -3.128 171.900 174.900 0.214 0.000 1.375 211 G CA -0.746 44.581 45.100 0.378 0.000 0.890 211 G HN -0.424 7.975 8.290 0.181 0.000 0.476 212 I N -0.370 120.327 120.570 0.212 0.000 2.466 212 I HA 0.590 5.066 4.170 0.167 -0.206 0.289 212 I C -0.206 176.047 176.117 0.228 0.000 1.026 212 I CA -1.484 59.922 61.300 0.176 0.000 1.078 212 I CB 3.562 41.624 38.000 0.104 0.000 1.249 212 I HN -0.368 7.969 8.210 0.212 0.000 0.429 213 V N 7.283 127.347 119.914 0.251 0.000 2.557 213 V HA -0.249 3.924 4.120 0.089 0.000 0.301 213 V C -0.849 175.279 176.094 0.057 0.000 1.026 213 V CA 2.077 64.468 62.300 0.151 0.000 1.137 213 V CB -1.507 30.420 31.823 0.172 0.000 0.917 213 V HN 0.243 8.569 8.190 0.226 0.000 0.484 214 S N 7.718 123.354 115.700 -0.106 0.000 3.526 214 S HA 0.267 4.967 4.470 0.384 0.000 0.222 214 S C -1.719 172.972 174.600 0.151 0.000 1.001 214 S CA 0.897 59.184 58.200 0.144 0.000 0.831 214 S CB 2.592 65.876 63.200 0.140 0.000 0.941 214 S HN -0.067 7.999 8.310 -0.407 0.000 0.585 215 W N -4.307 116.827 121.300 -0.277 0.000 2.959 215 W HA 0.230 4.773 4.660 -0.195 0.000 0.358 215 W C -2.933 173.413 176.519 -0.289 0.000 1.228 215 W CA -0.619 56.575 57.345 -0.253 0.000 1.183 215 W CB 1.410 30.718 29.460 -0.253 0.000 1.467 215 W HN -0.297 7.587 8.180 -0.493 0.000 0.578 216 G N -3.213 105.637 108.800 0.083 0.000 2.368 216 G HA2 0.070 3.978 3.960 -0.087 0.000 0.293 216 G HA3 0.070 3.840 3.960 -0.316 0.000 0.293 216 G C -1.783 173.270 174.900 0.255 0.000 1.467 216 G CA 0.109 45.195 45.100 -0.023 0.000 0.804 216 G HN 0.002 8.468 8.290 0.292 0.000 0.535 220 c N 1.969 120.605 118.600 0.059 0.000 3.370 220 c HA 0.278 5.015 4.570 0.058 -0.132 0.190 220 c C -1.485 172.635 174.090 0.050 0.000 1.647 220 c CA -0.856 55.505 56.329 0.054 0.000 1.277 220 c CB -1.328 41.210 42.510 0.046 0.000 2.037 220 c HN 0.318 8.579 8.230 0.052 0.000 0.537 221 Q N -1.500 118.328 119.800 0.048 0.000 2.920 221 Q HA 0.117 4.474 4.340 0.027 0.000 0.255 221 Q C -1.947 174.069 176.000 0.028 0.000 0.976 221 Q CA -0.594 55.228 55.803 0.032 0.000 0.862 221 Q CB 2.059 30.814 28.738 0.029 0.000 1.952 221 Q HN 0.248 8.551 8.270 0.055 0.000 0.489 222 K N 2.738 123.148 120.400 0.016 0.000 2.489 222 K HA -0.370 4.123 4.320 0.025 -0.158 0.278 222 K C 0.524 177.115 176.600 -0.014 0.000 1.000 222 K CA 1.737 58.030 56.287 0.011 0.000 1.012 222 K CB -0.005 32.499 32.500 0.006 0.000 0.903 222 K HN 0.219 8.478 8.250 0.014 0.000 0.485 223 N N 2.646 121.336 118.700 -0.017 0.000 2.714 223 N HA -0.478 4.236 4.740 -0.043 0.000 0.250 223 N C -1.813 173.613 175.510 -0.139 0.000 1.117 223 N CA 1.653 54.667 53.050 -0.059 0.000 0.719 223 N CB -0.461 37.987 38.487 -0.065 0.000 1.081 223 N HN 0.621 8.895 8.380 0.006 0.110 0.557 224 K N -3.342 117.007 120.400 -0.086 0.000 3.098 224 K HA 0.537 4.641 4.320 -0.360 0.000 0.170 224 K C -2.620 174.021 176.600 0.068 0.000 1.106 224 K CA -3.242 52.974 56.287 -0.119 0.000 0.864 224 K CB 0.366 32.828 32.500 -0.063 0.000 1.047 224 K HN -0.777 7.416 8.250 -0.026 0.040 0.609 225 P HA -0.011 4.474 4.420 0.108 0.000 0.274 225 P C -0.304 177.042 177.300 0.078 0.000 1.256 225 P CA -0.506 62.663 63.100 0.115 0.000 0.795 225 P CB 1.120 32.882 31.700 0.103 0.000 1.038 226 G N -1.791 107.017 108.800 0.014 0.000 2.491 226 G HA2 0.100 3.977 3.960 -0.256 0.000 0.242 226 G HA3 0.100 3.849 3.960 -0.351 0.000 0.242 226 G C -1.383 173.176 174.900 -0.568 0.000 1.266 226 G CA -0.137 44.792 45.100 -0.284 0.000 0.844 226 G HN -0.210 8.190 8.290 0.103 -0.048 0.571 227 V N 2.050 121.305 119.914 -1.099 0.000 2.459 227 V HA 0.563 4.355 4.120 -0.823 -0.166 0.295 227 V C -1.012 174.320 176.094 -1.269 0.000 1.029 227 V CA -2.111 59.467 62.300 -1.203 0.000 0.874 227 V CB 1.587 32.249 31.823 -1.934 0.000 0.985 227 V HN 0.165 7.692 8.190 -1.105 0.000 0.438 228 Y N 4.751 124.629 120.300 -0.702 0.000 2.477 228 Y HA 0.505 4.983 4.550 -0.392 -0.163 0.347 228 Y C 0.083 175.711 175.900 -0.454 0.000 0.981 228 Y CA -1.948 55.765 58.100 -0.644 0.000 1.033 228 Y CB 4.222 41.998 38.460 -1.139 0.000 1.245 228 Y HN 0.845 8.711 8.280 -0.690 0.000 0.455 229 T N 5.138 119.686 114.554 -0.011 0.000 2.901 229 T HA -0.008 4.576 4.350 0.138 -0.152 0.301 229 T C -0.510 174.366 174.700 0.293 0.000 1.012 229 T CA 1.535 63.710 62.100 0.126 0.000 1.135 229 T CB 0.366 69.290 68.868 0.093 0.000 0.936 229 T HN 0.260 8.513 8.240 0.022 0.000 0.539 230 K N 8.241 128.887 120.400 0.409 0.000 2.183 230 K HA 0.097 4.827 4.320 0.683 0.000 0.272 230 K C 1.168 178.013 176.600 0.408 0.000 1.113 230 K CA -0.776 55.807 56.287 0.493 0.000 0.949 230 K CB -0.175 32.558 32.500 0.388 0.000 1.365 230 K HN 0.047 8.424 8.250 0.366 0.093 0.420 231 V N 5.432 125.567 119.914 0.368 0.000 2.392 231 V HA -0.468 3.931 4.120 0.465 0.000 0.249 231 V C 1.506 177.760 176.094 0.267 0.000 1.059 231 V CA 3.570 66.076 62.300 0.343 0.000 1.051 231 V CB -0.860 31.098 31.823 0.226 0.000 0.658 231 V HN 0.305 8.723 8.190 0.379 0.000 0.455 232 c N -3.663 115.019 118.600 0.137 0.000 2.409 232 c HA -0.235 4.372 4.570 0.062 0.000 0.284 232 c C 1.793 175.886 174.090 0.004 0.000 1.354 232 c CA 1.478 57.840 56.329 0.054 0.000 1.787 232 c CB -2.035 40.472 42.510 -0.004 0.000 1.900 232 c HN 0.526 8.808 8.230 0.127 0.024 0.520 233 N N 1.067 119.723 118.700 -0.074 0.000 2.515 233 N HA -0.116 4.496 4.740 -0.213 0.000 0.185 233 N C 0.262 175.489 175.510 -0.472 0.000 1.109 233 N CA 1.275 54.127 53.050 -0.330 0.000 0.903 233 N CB -0.260 37.903 38.487 -0.540 0.000 0.969 233 N HN -0.425 7.915 8.380 -0.005 0.038 0.450 234 Y N -4.192 116.177 120.300 0.116 0.000 2.641 234 Y HA 0.158 4.852 4.550 0.239 0.000 0.248 234 Y C -0.006 176.034 175.900 0.233 0.000 1.170 234 Y CA -0.611 57.618 58.100 0.215 0.000 1.201 234 Y CB 0.625 39.232 38.460 0.245 0.000 1.232 234 Y HN -0.230 7.941 8.280 0.125 0.184 0.537 235 V N 1.308 121.350 119.914 0.212 0.000 2.295 235 V HA -0.501 3.711 4.120 0.154 0.000 0.246 235 V C 1.629 177.794 176.094 0.118 0.000 1.049 235 V CA 4.510 66.895 62.300 0.142 0.000 1.024 235 V CB -0.876 30.990 31.823 0.072 0.000 0.648 235 V HN -0.922 7.354 8.190 0.143 0.000 0.447 236 S N -0.680 115.090 115.700 0.118 0.000 2.368 236 S HA -0.283 4.211 4.470 0.039 0.000 0.225 236 S C 1.909 176.583 174.600 0.123 0.000 1.030 236 S CA 3.446 61.699 58.200 0.089 0.000 0.999 236 S CB -0.470 62.781 63.200 0.084 0.000 0.844 236 S HN 0.037 8.414 8.310 0.113 0.000 0.459 237 W N 2.473 123.816 121.300 0.071 0.000 2.338 237 W HA -0.193 4.495 4.660 0.048 0.000 0.304 237 W C 1.806 178.340 176.519 0.025 0.000 1.212 237 W CA 3.244 60.641 57.345 0.087 0.000 1.264 237 W CB -0.140 29.472 29.460 0.253 0.000 1.142 237 W HN -0.162 8.266 8.180 0.413 0.000 0.512 238 I N -1.290 119.308 120.570 0.047 0.000 2.142 238 I HA -0.755 3.104 4.170 -0.517 0.000 0.240 238 I C 1.925 177.813 176.117 -0.380 0.000 1.078 238 I CA 4.462 65.619 61.300 -0.238 0.000 1.343 238 I CB -0.235 37.771 38.000 0.008 0.000 1.046 238 I HN 0.247 8.651 8.210 0.322 0.000 0.405 239 K N -1.071 119.198 120.400 -0.219 0.000 2.057 239 K HA -0.413 3.745 4.320 -0.270 0.000 0.207 239 K C 2.801 179.235 176.600 -0.277 0.000 1.049 239 K CA 3.754 59.903 56.287 -0.230 0.000 0.931 239 K CB -0.337 32.090 32.500 -0.120 0.000 0.714 239 K HN -0.432 7.750 8.250 -0.113 0.000 0.440 240 Q N -1.806 117.836 119.800 -0.263 0.000 2.119 240 Q HA -0.258 3.970 4.340 -0.186 0.000 0.201 240 Q C 2.726 178.510 176.000 -0.360 0.000 0.972 240 Q CA 3.158 58.812 55.803 -0.248 0.000 0.847 240 Q CB 0.014 28.645 28.738 -0.178 0.000 0.903 240 Q HN -0.059 8.075 8.270 -0.227 0.000 0.433 241 T N 2.147 116.347 114.554 -0.591 0.000 2.812 241 T HA -0.256 3.805 4.350 -0.481 0.000 0.264 241 T C 1.680 176.033 174.700 -0.579 0.000 1.042 241 T CA 4.429 66.138 62.100 -0.651 0.000 1.140 241 T CB -0.048 68.164 68.868 -1.092 0.000 0.870 241 T HN -0.348 7.477 8.240 -0.690 0.000 0.445 242 I N 0.525 120.630 120.570 -0.776 0.000 2.179 242 I HA -0.465 2.902 4.170 -1.338 0.000 0.242 242 I C 2.180 178.078 176.117 -0.364 0.000 1.088 242 I CA 3.864 64.615 61.300 -0.915 0.000 1.357 242 I CB -0.373 36.995 38.000 -1.053 0.000 1.051 242 I HN -0.104 7.646 8.210 -0.768 0.000 0.409 243 A N -1.136 121.516 122.820 -0.279 0.000 2.019 243 A HA -0.221 4.034 4.320 -0.109 0.000 0.219 243 A C 1.072 178.605 177.584 -0.085 0.000 1.164 243 A CA 2.765 54.716 52.037 -0.143 0.000 0.644 243 A CB -0.500 18.424 19.000 -0.127 0.000 0.805 243 A HN -0.184 7.769 8.150 -0.327 0.000 0.449 244 S N -5.176 110.463 115.700 -0.102 0.000 2.556 244 S HA 0.012 4.462 4.470 -0.033 0.000 0.216 244 S C 0.296 174.897 174.600 0.001 0.000 0.970 244 S CA 0.071 58.241 58.200 -0.050 0.000 0.912 244 S CB 0.962 64.121 63.200 -0.070 0.000 0.790 244 S HN -0.391 7.788 8.310 -0.162 0.034 0.504 245 N N 0.000 118.730 118.700 0.050 0.000 1.763 245 N HA 0.000 4.808 4.740 0.113 0.000 0.220 245 N CA 0.000 53.148 53.050 0.164 0.000 0.885 245 N CB 0.000 38.660 38.487 0.288 0.000 1.341 245 N HN 0.000 8.224 8.380 0.018 0.167 0.667