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 1o2p_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV 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 4.183 4.170 0.021 0.000 0.288 16 I C 0.000 176.108 176.117 -0.014 0.000 1.063 16 I CA 0.000 61.294 61.300 -0.009 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 17 V N 5.680 125.596 119.914 0.004 0.000 2.435 17 V HA 0.264 4.518 4.120 -0.015 -0.144 0.290 17 V C 0.622 176.715 176.094 -0.000 0.000 1.030 17 V CA -1.582 60.717 62.300 -0.002 0.000 0.881 17 V CB 1.277 33.106 31.823 0.009 0.000 0.983 17 V HN 0.855 9.060 8.190 0.025 0.000 0.445 18 G N 7.018 115.813 108.800 -0.009 0.000 2.179 18 G HA2 -0.396 3.556 3.960 -0.013 0.000 0.257 18 G HA3 -0.396 3.700 3.960 -0.029 -0.153 0.257 18 G C -0.720 174.185 174.900 0.007 0.000 1.010 18 G CA 0.559 45.651 45.100 -0.013 0.000 0.736 18 G HN 0.790 9.073 8.290 -0.012 0.000 0.513 19 G N -1.198 107.604 108.800 0.005 0.000 2.702 19 G HA2 0.513 4.529 3.960 0.094 0.000 0.254 19 G HA3 0.513 4.521 3.960 -0.090 -0.103 0.254 19 G C -1.729 173.213 174.900 0.070 0.000 1.380 19 G CA -1.080 44.027 45.100 0.012 0.000 1.042 19 G HN -0.686 7.566 8.290 -0.015 0.029 0.557 20 Y N -6.019 114.260 120.300 -0.035 0.000 2.634 20 Y HA 0.410 4.941 4.550 -0.032 0.000 0.340 20 Y C -1.696 174.176 175.900 -0.047 0.000 1.058 20 Y CA -2.941 55.137 58.100 -0.036 0.000 1.081 20 Y CB 1.084 39.526 38.460 -0.030 0.000 1.295 20 Y HN 0.307 8.240 8.280 -0.578 0.000 0.487 21 T N 2.247 116.854 114.554 0.089 0.000 2.834 21 T HA 0.069 4.475 4.350 -0.103 -0.118 0.298 21 T C 0.184 174.897 174.700 0.023 0.000 0.966 21 T CA 1.122 63.218 62.100 -0.007 0.000 1.141 21 T CB -0.003 68.888 68.868 0.038 0.000 0.905 21 T HN 0.008 8.354 8.240 0.177 0.000 0.535 22 c N 6.137 124.661 118.600 -0.127 0.000 2.429 22 c HA -0.088 4.481 4.570 -0.001 0.000 0.277 22 c C 0.152 174.258 174.090 0.027 0.000 1.262 22 c CA 0.764 57.051 56.329 -0.070 0.000 1.733 22 c CB 0.260 42.659 42.510 -0.185 0.000 2.010 22 c HN 0.114 8.220 8.230 -0.207 0.000 0.483 23 G N -2.000 106.801 108.800 0.001 0.000 2.885 23 G HA2 -0.168 3.806 3.960 0.024 0.000 0.685 23 G HA3 -0.168 3.809 3.960 0.029 0.000 0.685 23 G C -1.889 173.010 174.900 -0.001 0.000 1.216 23 G CA -0.818 44.292 45.100 0.018 0.000 0.790 23 G HN -0.358 7.916 8.290 -0.028 0.000 0.631 24 A N 3.881 126.708 122.820 0.012 0.000 2.566 24 A HA -0.233 4.333 4.320 0.024 -0.232 0.245 24 A C -0.168 177.420 177.584 0.007 0.000 1.056 24 A CA 1.103 53.150 52.037 0.017 0.000 0.757 24 A CB 0.034 19.051 19.000 0.028 0.000 0.979 24 A HN 0.325 8.486 8.150 0.019 0.000 0.508 25 N N -2.620 116.082 118.700 0.003 0.000 2.714 25 N HA -0.387 4.344 4.740 -0.015 0.000 0.250 25 N C 0.351 175.842 175.510 -0.031 0.000 1.117 25 N CA 1.633 54.677 53.050 -0.010 0.000 0.719 25 N CB -0.969 37.523 38.487 0.009 0.000 1.081 25 N HN 0.543 8.932 8.380 0.015 0.000 0.557 26 T N -3.716 110.810 114.554 -0.046 0.000 3.129 26 T HA 0.035 4.376 4.350 -0.014 0.000 0.251 26 T C -0.084 174.565 174.700 -0.086 0.000 1.117 26 T CA 1.907 63.985 62.100 -0.037 0.000 1.034 26 T CB 0.456 69.317 68.868 -0.012 0.000 0.968 26 T HN -0.559 7.622 8.240 -0.052 0.028 0.526 27 V N 2.340 122.143 119.914 -0.186 0.000 2.320 27 V HA 0.371 4.247 4.120 -0.407 0.000 0.257 27 V C -1.538 174.258 176.094 -0.496 0.000 0.996 27 V CA -3.389 58.650 62.300 -0.434 0.000 0.928 27 V CB 0.566 32.108 31.823 -0.469 0.000 1.169 27 V HN -0.532 7.490 8.190 -0.159 0.073 0.475 28 P HA 0.059 4.522 4.420 -0.078 -0.089 0.230 28 P C 0.006 177.271 177.300 -0.058 0.000 1.158 28 P CA 1.549 64.587 63.100 -0.102 0.000 0.769 28 P CB 0.101 31.810 31.700 0.015 0.000 0.807 29 Y N -5.968 114.357 120.300 0.042 0.000 2.466 29 Y HA 0.485 5.201 4.550 0.057 -0.131 0.272 29 Y C -0.555 175.383 175.900 0.063 0.000 1.169 29 Y CA -3.262 54.869 58.100 0.052 0.000 1.285 29 Y CB -1.256 37.230 38.460 0.043 0.000 1.078 29 Y HN -0.433 7.285 8.280 -0.839 0.059 0.523 30 Q N 2.883 122.552 119.800 -0.219 0.000 2.313 30 Q HA 0.172 4.684 4.340 0.072 -0.129 0.266 30 Q C -0.327 175.756 176.000 0.138 0.000 0.989 30 Q CA 0.182 55.964 55.803 -0.036 0.000 0.890 30 Q CB 0.985 29.602 28.738 -0.201 0.000 1.200 30 Q HN -0.635 7.283 8.270 -0.490 0.059 0.396 31 V N 1.493 121.525 119.914 0.196 0.000 3.074 31 V HA 0.806 5.149 4.120 0.184 -0.112 0.314 31 V C -2.002 174.228 176.094 0.228 0.000 1.117 31 V CA -2.930 59.478 62.300 0.179 0.000 1.014 31 V CB 3.883 35.762 31.823 0.093 0.000 1.057 31 V HN 0.343 8.646 8.190 0.187 0.000 0.438 32 S N 0.449 116.185 115.700 0.059 0.000 2.454 32 S HA 0.422 4.993 4.470 0.169 0.000 0.306 32 S C -1.033 173.425 174.600 -0.237 0.000 1.100 32 S CA -1.910 56.260 58.200 -0.049 0.000 1.087 32 S CB 1.777 64.748 63.200 -0.382 0.000 1.019 32 S HN 0.009 8.314 8.310 -0.008 0.000 0.480 33 L N 6.688 127.623 121.223 -0.479 0.000 2.275 33 L HA 0.497 4.717 4.340 -0.395 -0.118 0.288 33 L C -1.518 174.864 176.870 -0.814 0.000 1.046 33 L CA -0.783 53.659 54.840 -0.663 0.000 0.805 33 L CB 0.939 42.418 42.059 -0.967 0.000 1.193 33 L HN 0.741 8.625 8.230 -0.576 0.000 0.426 38 G N -0.024 108.684 108.800 -0.153 0.000 2.179 38 G HA2 -0.287 3.662 3.960 -0.019 0.000 0.220 38 G HA3 -0.287 3.740 3.960 0.111 0.000 0.220 38 G C -1.454 173.531 174.900 0.142 0.000 0.990 38 G CA 0.357 45.471 45.100 0.023 0.000 0.646 38 G HN 0.265 8.796 8.290 -0.199 -0.360 0.517 39 Y N -7.020 113.252 120.300 -0.047 0.000 2.702 39 Y HA 0.230 4.737 4.550 -0.071 0.000 0.336 39 Y C -2.516 173.372 175.900 -0.021 0.000 1.203 39 Y CA -3.500 54.572 58.100 -0.047 0.000 1.072 39 Y CB 0.700 39.132 38.460 -0.048 0.000 1.327 39 Y HN -1.162 6.891 8.280 -0.410 -0.018 0.456 40 H N 1.963 120.963 119.070 -0.118 0.000 2.690 40 H HA 0.045 4.530 4.556 -0.383 -0.159 0.314 40 H C -0.751 174.530 175.328 -0.078 0.000 1.069 40 H CA -0.010 55.892 56.048 -0.243 0.000 1.436 40 H CB 0.531 30.138 29.762 -0.258 0.000 1.462 40 H HN 0.170 8.536 8.280 0.142 0.000 0.511 41 F N 1.169 120.687 119.950 -0.721 0.000 2.778 41 F HA 0.284 4.720 4.527 -0.152 0.000 0.314 41 F C -2.001 173.540 175.800 -0.432 0.000 1.073 41 F CA -0.591 57.176 58.000 -0.388 0.000 1.218 41 F CB 1.617 40.459 39.000 -0.262 0.000 1.037 41 F HN -0.310 7.256 8.300 -1.223 0.000 0.594 42 c N -1.652 116.265 118.600 -1.138 0.000 3.321 42 c HA 0.386 4.822 4.570 -0.223 0.000 0.329 42 c C -1.637 172.212 174.090 -0.401 0.000 1.394 42 c CA -0.289 55.714 56.329 -0.544 0.000 1.291 42 c CB 4.070 46.352 42.510 -0.381 0.000 1.606 42 c HN -0.829 6.396 8.230 -1.675 0.000 0.463 43 G N -0.976 107.801 108.800 -0.039 0.000 2.705 43 G HA2 0.816 5.051 3.960 0.218 0.000 0.299 43 G HA3 0.816 4.909 3.960 0.222 0.000 0.299 43 G C -2.518 172.404 174.900 0.037 0.000 1.315 43 G CA -1.651 43.529 45.100 0.133 0.000 1.045 43 G HN 0.718 9.001 8.290 -0.011 0.000 0.517 44 G N -4.010 104.847 108.800 0.095 0.000 2.506 44 G HA2 0.516 4.799 3.960 0.074 0.000 0.292 44 G HA3 0.516 4.506 3.960 0.051 0.000 0.292 44 G C -2.919 172.064 174.900 0.138 0.000 1.425 44 G CA 0.328 45.477 45.100 0.083 0.000 0.788 44 G HN -0.586 7.796 8.290 0.154 0.000 0.490 45 S N -0.388 115.399 115.700 0.146 0.000 2.532 45 S HA 0.794 5.621 4.470 0.268 -0.197 0.299 45 S C -1.301 173.402 174.600 0.171 0.000 1.105 45 S CA -0.883 57.436 58.200 0.199 0.000 1.018 45 S CB 3.658 66.962 63.200 0.173 0.000 1.021 45 S HN 0.378 8.760 8.310 0.121 0.000 0.483 46 L N 6.368 127.708 121.223 0.195 0.000 2.313 46 L HA 0.150 4.689 4.340 0.148 -0.111 0.282 46 L C -0.770 176.184 176.870 0.141 0.000 1.092 46 L CA -0.088 54.848 54.840 0.161 0.000 0.831 46 L CB 1.025 43.178 42.059 0.158 0.000 1.159 46 L HN 0.354 8.738 8.230 0.257 0.000 0.442 47 I N 0.116 120.766 120.570 0.133 0.000 4.070 47 I HA 0.494 4.847 4.170 0.064 -0.145 0.328 47 I C -0.931 175.244 176.117 0.096 0.000 1.298 47 I CA -0.620 60.736 61.300 0.093 0.000 1.173 47 I CB 0.807 38.852 38.000 0.074 0.000 1.051 47 I HN 0.371 8.679 8.210 0.162 0.000 0.409 48 N N -2.282 116.498 118.700 0.133 0.000 3.261 48 N HA 0.156 4.952 4.740 0.093 0.000 0.248 48 N C -0.681 174.908 175.510 0.131 0.000 1.498 48 N CA -0.519 52.606 53.050 0.125 0.000 0.884 48 N CB 0.731 39.303 38.487 0.141 0.000 1.428 48 N HN -0.926 7.548 8.380 0.158 0.000 0.517 49 S N -3.482 112.282 115.700 0.106 0.000 2.547 49 S HA -0.306 4.207 4.470 0.071 0.000 0.235 49 S C 0.741 175.374 174.600 0.056 0.000 0.980 49 S CA 2.648 60.893 58.200 0.075 0.000 0.941 49 S CB -0.133 63.099 63.200 0.054 0.000 0.763 49 S HN 0.380 8.749 8.310 0.098 0.000 0.532 50 Q N -0.458 119.389 119.800 0.080 0.000 2.140 50 Q HA 0.344 4.627 4.340 -0.096 0.000 0.227 50 Q C -2.195 173.691 176.000 -0.190 0.000 0.798 50 Q CA -0.444 55.311 55.803 -0.080 0.000 0.987 50 Q CB 2.698 31.361 28.738 -0.124 0.000 1.161 50 Q HN 0.213 8.920 8.270 0.175 -0.332 0.480 51 W N -2.215 119.093 121.300 0.012 0.000 2.915 51 W HA 0.706 5.570 4.660 0.009 -0.198 0.337 51 W C -1.510 175.023 176.519 0.024 0.000 1.102 51 W CA -1.117 56.235 57.345 0.011 0.000 1.224 51 W CB 3.858 33.316 29.460 -0.004 0.000 1.416 51 W HN -0.444 8.009 8.180 0.264 -0.115 0.503 52 V N 1.316 121.392 119.914 0.270 0.000 2.680 52 V HA 0.768 5.167 4.120 0.172 -0.177 0.309 52 V C -1.437 174.772 176.094 0.191 0.000 1.052 52 V CA -1.681 60.728 62.300 0.181 0.000 0.908 52 V CB 3.605 35.491 31.823 0.105 0.000 1.001 52 V HN 0.744 9.107 8.190 0.287 0.000 0.431 53 V N 6.045 126.049 119.914 0.150 0.000 2.513 53 V HA 0.737 5.116 4.120 0.157 -0.165 0.299 53 V C -1.263 174.890 176.094 0.098 0.000 1.035 53 V CA -1.212 61.168 62.300 0.134 0.000 0.889 53 V CB 2.037 33.931 31.823 0.118 0.000 0.988 53 V HN 0.649 8.922 8.190 0.138 0.000 0.440 54 S N 4.261 120.007 115.700 0.076 0.000 2.973 54 S HA 0.564 5.263 4.470 0.036 -0.207 0.317 54 S C -2.064 172.532 174.600 -0.007 0.000 1.196 54 S CA -2.525 55.693 58.200 0.029 0.000 0.894 54 S CB 2.421 65.625 63.200 0.007 0.000 1.292 54 S HN 0.645 9.010 8.310 0.092 0.000 0.614 55 A N -0.624 122.154 122.820 -0.070 0.000 2.312 55 A HA 0.439 4.854 4.320 -0.090 -0.149 0.326 55 A C 0.692 178.165 177.584 -0.185 0.000 1.172 55 A CA -1.627 50.333 52.037 -0.129 0.000 0.821 55 A CB 1.656 20.537 19.000 -0.199 0.000 1.166 55 A HN 0.232 8.330 8.150 -0.087 0.000 0.493 56 A N 4.770 127.429 122.820 -0.269 0.000 1.940 56 A HA -0.269 3.901 4.320 -0.250 0.000 0.219 56 A C 1.404 178.765 177.584 -0.372 0.000 1.176 56 A CA 2.983 54.739 52.037 -0.468 0.000 0.631 56 A CB -0.422 17.883 19.000 -1.158 0.000 0.814 56 A HN 0.617 8.626 8.150 -0.248 -0.007 0.446 57 H N -4.938 113.977 119.070 -0.259 0.000 2.563 57 H HA -0.074 4.514 4.556 0.052 0.000 0.272 57 H C 0.197 175.576 175.328 0.084 0.000 1.005 57 H CA 1.422 57.476 56.048 0.010 0.000 1.171 57 H CB -1.060 28.780 29.762 0.131 0.000 1.351 57 H HN -0.019 8.457 8.280 -0.158 -0.291 0.602 58 c N -1.194 117.321 118.600 -0.141 0.000 2.791 58 c HA -0.024 4.604 4.570 0.096 0.000 0.270 58 c C -1.033 173.134 174.090 0.129 0.000 1.257 58 c CA 0.131 56.472 56.329 0.020 0.000 1.699 58 c CB -1.492 40.999 42.510 -0.032 0.000 1.904 58 c HN -0.649 7.270 8.230 -0.208 0.187 0.603 59 Y N 2.295 122.593 120.300 -0.003 0.000 2.597 59 Y HA -0.192 4.378 4.550 0.033 0.000 0.336 59 Y C -1.381 174.501 175.900 -0.030 0.000 1.216 59 Y CA 1.431 59.534 58.100 0.004 0.000 1.463 59 Y CB 1.028 39.477 38.460 -0.019 0.000 1.303 59 Y HN -0.434 7.758 8.280 0.157 0.183 0.576 60 K N 6.058 125.702 120.400 -1.260 0.000 2.658 60 K HA 0.201 4.057 4.320 -0.773 0.000 0.293 60 K C -2.333 173.746 176.600 -0.868 0.000 1.026 60 K CA -0.949 54.792 56.287 -0.909 0.000 0.871 60 K CB 2.443 34.591 32.500 -0.586 0.000 1.524 60 K HN -0.139 7.296 8.250 -1.358 0.000 0.400 61 S N -0.503 114.916 115.700 -0.468 0.000 2.713 61 S HA 0.131 4.441 4.470 -0.267 0.000 0.283 61 S C 0.758 175.237 174.600 -0.201 0.000 1.161 61 S CA -0.368 57.676 58.200 -0.260 0.000 0.999 61 S CB 1.361 64.499 63.200 -0.104 0.000 1.039 61 S HN -0.174 7.929 8.310 -0.346 0.000 0.548 62 G N -0.057 108.665 108.800 -0.129 0.000 2.256 62 G HA2 -0.245 3.668 3.960 -0.079 0.000 0.272 62 G HA3 -0.245 3.649 3.960 -0.110 0.000 0.272 62 G C -1.617 173.219 174.900 -0.106 0.000 1.076 62 G CA 0.155 45.191 45.100 -0.106 0.000 0.882 62 G HN 0.303 8.533 8.290 -0.101 0.000 0.497 63 I N -1.316 119.201 120.570 -0.088 0.000 2.385 63 I HA 0.078 4.248 4.170 0.001 0.000 0.294 63 I C -1.675 174.401 176.117 -0.068 0.000 0.988 63 I CA -0.834 60.442 61.300 -0.040 0.000 1.265 63 I CB 0.963 38.961 38.000 -0.004 0.000 1.388 63 I HN -0.496 7.660 8.210 -0.090 0.000 0.480 64 Q N 6.738 126.479 119.800 -0.099 0.000 3.184 64 Q HA 0.545 4.922 4.340 -0.093 -0.093 0.236 64 Q C -1.618 174.284 176.000 -0.164 0.000 1.038 64 Q CA -1.952 53.773 55.803 -0.130 0.000 0.857 64 Q CB 4.261 32.889 28.738 -0.184 0.000 1.957 64 Q HN 0.476 8.688 8.270 -0.098 0.000 0.453 65 R N -2.467 117.966 120.500 -0.111 0.000 3.008 65 R HA 0.385 4.975 4.340 0.138 -0.167 0.284 65 R C -1.388 174.945 176.300 0.055 0.000 1.187 65 R CA 0.039 56.121 56.100 -0.030 0.000 1.139 65 R CB 2.321 32.456 30.300 -0.276 0.000 1.273 65 R HN 0.567 8.750 8.270 -0.144 0.000 0.410 70 E N -0.432 119.865 120.200 0.161 0.000 2.283 70 E HA 0.126 4.555 4.350 0.132 0.000 0.271 70 E C -1.857 174.926 176.600 0.305 0.000 1.031 70 E CA 0.233 56.744 56.400 0.186 0.000 0.868 70 E CB 1.570 31.317 29.700 0.079 0.000 1.094 70 E HN -0.620 7.818 8.360 0.183 0.032 0.401 71 D N 0.891 121.451 120.400 0.267 0.000 2.912 71 D HA 0.053 4.899 4.640 0.342 0.000 0.170 71 D C -1.056 175.444 176.300 0.333 0.000 1.484 71 D CA 0.941 55.109 54.000 0.279 0.000 1.542 71 D CB 2.421 43.302 40.800 0.135 0.000 1.344 71 D HN 0.088 8.565 8.370 0.179 0.000 0.222 72 N N 1.226 120.031 118.700 0.175 0.000 2.405 72 N HA 0.149 5.128 4.740 0.181 -0.131 0.260 72 N C 2.136 177.659 175.510 0.022 0.000 1.152 72 N CA -0.374 52.751 53.050 0.125 0.000 0.948 72 N CB 0.398 38.931 38.487 0.076 0.000 1.111 72 N HN -0.425 8.322 8.380 0.129 -0.289 0.485 73 I N 0.013 120.509 120.570 -0.124 0.000 3.444 73 I HA -0.045 4.128 4.170 -0.259 -0.158 0.287 73 I C -0.393 175.641 176.117 -0.138 0.000 1.302 73 I CA 1.172 62.298 61.300 -0.290 0.000 1.368 73 I CB -0.711 36.867 38.000 -0.705 0.000 1.048 73 I HN 0.421 8.573 8.210 -0.097 0.000 0.487 74 N N -2.125 116.541 118.700 -0.056 0.000 2.205 74 N HA 0.138 4.863 4.740 -0.026 0.000 0.201 74 N C -0.961 174.556 175.510 0.012 0.000 1.128 74 N CA -0.024 53.016 53.050 -0.017 0.000 0.867 74 N CB 1.982 40.468 38.487 -0.001 0.000 0.996 74 N HN -0.031 8.627 8.380 -0.032 -0.297 0.503 75 V N 0.482 120.408 119.914 0.021 0.000 2.638 75 V HA 0.043 4.180 4.120 0.028 0.000 0.306 75 V C -1.422 174.694 176.094 0.037 0.000 1.052 75 V CA -1.067 61.251 62.300 0.030 0.000 0.885 75 V CB 3.251 35.090 31.823 0.028 0.000 0.999 75 V HN -0.850 7.372 8.190 0.014 -0.023 0.424 76 V N 7.619 127.551 119.914 0.030 0.000 2.405 76 V HA -0.177 4.180 4.120 0.021 -0.224 0.264 76 V C 0.138 176.229 176.094 -0.005 0.000 1.048 76 V CA 0.709 63.012 62.300 0.006 0.000 0.966 76 V CB -0.211 31.596 31.823 -0.027 0.000 1.015 76 V HN 0.295 8.500 8.190 0.026 0.000 0.477 77 E N 7.967 128.166 120.200 -0.001 0.000 2.473 77 E HA 0.138 4.489 4.350 0.001 0.000 0.204 77 E C -0.209 176.384 176.600 -0.011 0.000 0.994 77 E CA -0.443 55.958 56.400 0.002 0.000 0.945 77 E CB 0.736 30.448 29.700 0.019 0.000 0.990 77 E HN 0.394 9.203 8.360 0.005 -0.446 0.493 78 G N 0.187 108.970 108.800 -0.028 0.000 2.576 78 G HA2 -0.221 3.702 3.960 -0.061 0.000 0.686 78 G HA3 -0.221 3.722 3.960 -0.027 0.000 0.686 78 G C -1.669 173.214 174.900 -0.028 0.000 1.242 78 G CA -0.682 44.395 45.100 -0.038 0.000 0.819 78 G HN -0.435 8.185 8.290 -0.037 -0.351 0.655 79 N N -3.560 115.118 118.700 -0.037 0.000 2.955 79 N HA -0.258 4.469 4.740 -0.021 0.000 0.199 79 N C -0.878 174.617 175.510 -0.024 0.000 0.939 79 N CA 1.283 54.322 53.050 -0.020 0.000 1.028 79 N CB -0.297 38.193 38.487 0.005 0.000 1.000 79 N HN 0.162 8.511 8.380 -0.052 0.000 0.577 80 E N -0.806 119.358 120.200 -0.060 0.000 2.383 80 E HA 0.093 4.693 4.350 0.030 -0.231 0.264 80 E C -0.109 176.408 176.600 -0.139 0.000 1.050 80 E CA 0.848 57.206 56.400 -0.071 0.000 0.896 80 E CB 0.409 29.996 29.700 -0.188 0.000 0.982 80 E HN -0.173 8.041 8.360 -0.077 0.100 0.424 81 Q N 1.774 121.563 119.800 -0.019 0.000 2.274 81 Q HA 0.266 4.540 4.340 -0.111 0.000 0.268 81 Q C -1.532 174.596 176.000 0.214 0.000 1.015 81 Q CA -1.151 54.648 55.803 -0.006 0.000 0.775 81 Q CB 3.047 31.801 28.738 0.026 0.000 1.256 81 Q HN 0.170 8.504 8.270 0.106 0.000 0.442 82 F N 3.556 123.484 119.950 -0.035 0.000 2.388 82 F HA 0.425 5.093 4.527 -0.053 -0.172 0.358 82 F C -0.199 175.574 175.800 -0.043 0.000 1.122 82 F CA -2.920 55.053 58.000 -0.046 0.000 1.056 82 F CB 0.961 39.932 39.000 -0.048 0.000 1.155 82 F HN 0.376 8.696 8.300 0.033 0.000 0.461 83 I N 3.974 124.617 120.570 0.121 0.000 2.582 83 I HA 0.241 4.439 4.170 0.046 0.000 0.292 83 I C -1.318 174.796 176.117 -0.005 0.000 1.066 83 I CA -1.407 59.918 61.300 0.041 0.000 1.053 83 I CB 4.129 42.138 38.000 0.016 0.000 1.241 83 I HN 0.840 9.105 8.210 0.092 0.000 0.421 84 S N 5.313 121.002 115.700 -0.018 0.000 2.592 84 S HA 0.060 4.501 4.470 -0.049 0.000 0.271 84 S C -0.458 174.107 174.600 -0.059 0.000 1.326 84 S CA 0.768 58.944 58.200 -0.041 0.000 1.024 84 S CB 0.957 64.136 63.200 -0.036 0.000 0.921 84 S HN 0.433 8.738 8.310 -0.009 0.000 0.527 85 A N 3.605 126.386 122.820 -0.064 0.000 2.363 85 A HA 0.157 4.513 4.320 -0.100 -0.096 0.270 85 A C -0.292 177.244 177.584 -0.081 0.000 1.121 85 A CA -0.251 51.739 52.037 -0.078 0.000 0.800 85 A CB 0.611 19.577 19.000 -0.056 0.000 1.052 85 A HN -0.198 7.916 8.150 -0.060 0.000 0.493 86 S N 3.367 118.998 115.700 -0.114 0.000 2.427 86 S HA 0.050 4.478 4.470 -0.070 0.000 0.224 86 S C 0.386 174.946 174.600 -0.067 0.000 1.047 86 S CA 1.436 59.578 58.200 -0.097 0.000 0.953 86 S CB 0.909 64.027 63.200 -0.136 0.000 0.824 86 S HN 0.824 8.919 8.310 -0.164 0.117 0.502 87 K N -0.074 120.279 120.400 -0.077 0.000 2.551 87 K HA 0.279 4.619 4.320 0.035 0.000 0.269 87 K C -2.337 174.290 176.600 0.046 0.000 0.949 87 K CA -0.650 55.639 56.287 0.003 0.000 0.849 87 K CB 3.428 35.938 32.500 0.015 0.000 1.411 87 K HN -0.782 7.385 8.250 -0.140 0.000 0.432 88 S N 1.161 116.945 115.700 0.140 0.000 2.500 88 S HA 0.693 5.428 4.470 0.177 -0.159 0.301 88 S C -0.851 173.872 174.600 0.205 0.000 1.092 88 S CA -0.461 57.863 58.200 0.208 0.000 1.030 88 S CB 2.588 65.987 63.200 0.331 0.000 1.031 88 S HN 0.179 8.586 8.310 0.161 0.000 0.483 89 I N 7.209 127.910 120.570 0.218 0.000 2.405 89 I HA 0.110 4.363 4.170 0.139 0.000 0.280 89 I C -1.509 174.742 176.117 0.224 0.000 1.027 89 I CA -0.826 60.594 61.300 0.199 0.000 1.161 89 I CB 1.379 39.509 38.000 0.218 0.000 1.300 89 I HN 0.994 9.248 8.210 0.248 0.105 0.463 90 V N 7.782 127.760 119.914 0.106 0.000 2.775 90 V HA -0.170 3.990 4.120 0.068 0.000 0.299 90 V C -0.193 175.985 176.094 0.139 0.000 1.062 90 V CA -0.437 61.895 62.300 0.055 0.000 1.063 90 V CB 0.880 32.639 31.823 -0.108 0.000 0.994 90 V HN 0.348 8.551 8.190 0.022 0.000 0.483 91 H N 8.481 127.540 119.070 -0.018 0.000 3.034 91 H HA -0.027 4.387 4.556 -0.237 0.000 0.324 91 H C -0.451 174.859 175.328 -0.031 0.000 1.015 91 H CA 0.422 56.340 56.048 -0.217 0.000 1.429 91 H CB 1.544 31.008 29.762 -0.498 0.000 1.429 91 H HN -0.254 8.068 8.280 0.069 0.000 0.585 92 P HA -0.101 4.330 4.420 0.020 0.000 0.218 92 P C -0.366 176.984 177.300 0.083 0.000 1.148 92 P CA 1.446 64.522 63.100 -0.039 0.000 0.822 92 P CB 0.371 32.026 31.700 -0.076 0.000 0.784 93 S N -3.501 112.353 115.700 0.256 0.000 2.583 93 S HA 0.045 4.573 4.470 0.098 0.000 0.239 93 S C -0.657 174.044 174.600 0.168 0.000 0.966 93 S CA -0.005 58.316 58.200 0.201 0.000 0.973 93 S CB 0.322 63.635 63.200 0.187 0.000 0.794 93 S HN -0.405 8.156 8.310 0.467 0.029 0.463 94 Y N 3.741 124.091 120.300 0.083 0.000 2.526 94 Y HA -0.302 4.402 4.550 -0.038 -0.177 0.330 94 Y C -0.937 174.956 175.900 -0.011 0.000 1.156 94 Y CA 0.735 58.838 58.100 0.005 0.000 1.419 94 Y CB 0.749 39.218 38.460 0.014 0.000 1.250 94 Y HN -0.796 7.597 8.280 0.329 0.085 0.540 95 N N 7.676 126.012 118.700 -0.607 0.000 2.511 95 N HA 0.212 4.680 4.740 -0.454 0.000 0.249 95 N C -0.078 174.923 175.510 -0.848 0.000 0.971 95 N CA -1.384 51.330 53.050 -0.559 0.000 0.938 95 N CB 1.294 39.611 38.487 -0.284 0.000 1.131 95 N HN -0.203 7.937 8.380 -0.400 0.000 0.505 96 S N 7.056 122.244 115.700 -0.852 0.000 2.474 96 S HA -0.142 3.960 4.470 -0.613 0.000 0.235 96 S C 0.766 175.182 174.600 -0.307 0.000 0.997 96 S CA 2.333 60.207 58.200 -0.543 0.000 0.949 96 S CB -0.200 62.860 63.200 -0.232 0.000 0.766 96 S HN 0.643 8.543 8.310 -0.682 0.000 0.517 97 N N 1.933 120.461 118.700 -0.286 0.000 2.336 97 N HA 0.009 4.626 4.740 -0.204 0.000 0.177 97 N C 1.091 176.436 175.510 -0.276 0.000 1.018 97 N CA 2.351 55.264 53.050 -0.229 0.000 0.878 97 N CB 0.569 38.950 38.487 -0.177 0.000 0.997 97 N HN 0.316 8.736 8.380 -0.308 -0.225 0.433 98 T N -3.931 110.453 114.554 -0.283 0.000 3.037 98 T HA 0.057 4.188 4.350 -0.365 0.000 0.251 98 T C 0.269 174.755 174.700 -0.357 0.000 1.079 98 T CA 0.502 62.416 62.100 -0.310 0.000 1.067 98 T CB 1.657 70.401 68.868 -0.206 0.000 0.948 98 T HN -0.352 8.013 8.240 -0.276 -0.291 0.496 99 L N -3.885 117.172 121.223 -0.277 0.000 4.351 99 L HA -0.497 3.934 4.340 0.041 -0.066 0.410 99 L C -1.894 174.995 176.870 0.031 0.000 1.150 99 L CA 0.471 55.258 54.840 -0.088 0.000 0.961 99 L CB -2.588 39.360 42.059 -0.185 0.000 2.130 99 L HN 0.006 8.051 8.230 -0.309 0.000 0.787 100 N N -0.967 117.709 118.700 -0.040 0.000 2.518 100 N HA -0.163 4.621 4.740 0.073 0.000 0.266 100 N C 0.023 175.571 175.510 0.064 0.000 1.196 100 N CA 0.751 53.815 53.050 0.023 0.000 0.947 100 N CB 1.154 39.628 38.487 -0.023 0.000 1.098 100 N HN -0.742 7.510 8.380 -0.133 0.048 0.450 101 N N -0.825 117.913 118.700 0.063 0.000 2.780 101 N HA -0.470 4.202 4.740 -0.112 0.000 0.247 101 N C -1.488 174.009 175.510 -0.022 0.000 1.076 101 N CA 1.372 54.369 53.050 -0.088 0.000 0.688 101 N CB -1.507 36.825 38.487 -0.258 0.000 0.957 101 N HN 0.612 9.053 8.380 0.103 0.000 0.551 102 D N -1.091 119.335 120.400 0.042 0.000 2.551 102 D HA 0.063 4.723 4.640 0.032 0.000 0.223 102 D C -1.678 174.539 176.300 -0.139 0.000 1.144 102 D CA -0.377 53.650 54.000 0.044 0.000 1.025 102 D CB -0.659 40.262 40.800 0.202 0.000 1.085 102 D HN -0.151 8.255 8.370 0.059 0.000 0.506 103 I N 2.390 122.815 120.570 -0.240 0.000 2.802 103 I HA 0.568 4.827 4.170 -0.125 -0.164 0.298 103 I C -3.084 172.995 176.117 -0.063 0.000 1.176 103 I CA -1.498 59.685 61.300 -0.195 0.000 1.025 103 I CB 4.150 41.897 38.000 -0.422 0.000 1.243 103 I HN -0.146 7.877 8.210 -0.249 0.037 0.424 104 M N 5.944 125.576 119.600 0.054 0.000 2.470 104 M HA 0.687 5.479 4.480 0.238 -0.170 0.285 104 M C -2.765 173.665 176.300 0.216 0.000 1.213 104 M CA -1.079 54.315 55.300 0.156 0.000 0.901 104 M CB 4.868 37.515 32.600 0.080 0.000 1.718 104 M HN 0.424 8.740 8.290 0.044 0.000 0.469 105 L N 2.816 124.203 121.223 0.274 0.000 2.334 105 L HA 0.841 5.500 4.340 0.261 -0.163 0.276 105 L C -1.345 175.722 176.870 0.328 0.000 1.014 105 L CA -1.463 53.554 54.840 0.296 0.000 0.815 105 L CB 3.274 45.475 42.059 0.237 0.000 1.268 105 L HN 0.287 8.699 8.230 0.303 0.000 0.428 106 I N 0.875 121.626 120.570 0.302 0.000 2.465 106 I HA 0.558 4.964 4.170 0.117 -0.165 0.291 106 I C -1.576 174.506 176.117 -0.058 0.000 1.014 106 I CA -1.413 59.963 61.300 0.126 0.000 1.093 106 I CB 3.040 41.079 38.000 0.064 0.000 1.267 106 I HN 0.958 9.366 8.210 0.331 0.000 0.431 107 K N 6.638 126.802 120.400 -0.393 0.000 2.156 107 K HA 0.594 4.200 4.320 -1.430 -0.144 0.271 107 K C -1.102 175.203 176.600 -0.491 0.000 0.995 107 K CA -1.730 53.957 56.287 -1.001 0.000 0.890 107 K CB 2.892 34.654 32.500 -1.231 0.000 1.073 107 K HN 0.696 8.805 8.250 -0.236 0.000 0.454 108 L N 4.571 125.538 121.223 -0.428 0.000 2.399 108 L HA 0.214 4.558 4.340 -0.170 -0.106 0.266 108 L C 1.753 178.503 176.870 -0.199 0.000 1.114 108 L CA -0.080 54.626 54.840 -0.224 0.000 0.804 108 L CB 0.465 42.436 42.059 -0.148 0.000 1.146 108 L HN 0.774 8.570 8.230 -0.551 0.103 0.451 109 K N 2.681 123.005 120.400 -0.128 0.000 2.057 109 K HA -0.305 3.950 4.320 -0.108 0.000 0.207 109 K C -0.329 176.222 176.600 -0.083 0.000 1.049 109 K CA 2.790 59.020 56.287 -0.096 0.000 0.931 109 K CB 0.465 32.928 32.500 -0.063 0.000 0.714 109 K HN 0.513 8.700 8.250 -0.105 0.000 0.440 110 S N -3.856 111.803 115.700 -0.069 0.000 2.599 110 S HA 0.149 4.588 4.470 -0.052 0.000 0.287 110 S C -1.579 172.991 174.600 -0.050 0.000 1.105 110 S CA -1.050 57.119 58.200 -0.051 0.000 0.899 110 S CB 2.762 65.944 63.200 -0.030 0.000 1.100 110 S HN -0.472 7.799 8.310 -0.064 0.000 0.482 111 A N -0.011 122.788 122.820 -0.035 0.000 2.386 111 A HA 0.084 4.515 4.320 -0.034 -0.131 0.248 111 A C -0.314 177.267 177.584 -0.006 0.000 1.082 111 A CA -0.307 51.717 52.037 -0.021 0.000 0.789 111 A CB 0.504 19.501 19.000 -0.004 0.000 1.025 111 A HN 0.212 8.345 8.150 -0.029 0.000 0.490 112 A N 0.624 123.448 122.820 0.006 0.000 2.286 112 A HA 0.233 4.628 4.320 0.010 -0.069 0.286 112 A C -0.583 177.012 177.584 0.019 0.000 1.097 112 A CA -1.412 50.635 52.037 0.016 0.000 0.821 112 A CB 1.559 20.577 19.000 0.030 0.000 1.076 112 A HN 0.411 8.456 8.150 0.010 0.110 0.490 113 S N 0.563 116.273 115.700 0.016 0.000 2.430 113 S HA 0.083 4.562 4.470 0.016 0.000 0.289 113 S C -0.525 174.089 174.600 0.023 0.000 1.143 113 S CA -0.338 57.871 58.200 0.015 0.000 1.067 113 S CB 0.496 63.700 63.200 0.006 0.000 0.964 113 S HN -0.049 8.583 8.310 0.013 -0.314 0.485 114 L N 6.019 127.260 121.223 0.029 0.000 2.357 114 L HA 0.205 4.676 4.340 0.041 -0.107 0.273 114 L C -0.594 176.294 176.870 0.030 0.000 1.080 114 L CA -0.330 54.532 54.840 0.037 0.000 0.803 114 L CB 0.764 42.849 42.059 0.044 0.000 1.174 114 L HN 0.206 8.452 8.230 0.027 0.000 0.443 115 N N 2.812 121.531 118.700 0.032 0.000 3.667 115 N HA 0.199 4.954 4.740 0.024 0.000 0.347 115 N C -1.338 174.191 175.510 0.031 0.000 1.550 115 N CA -0.454 52.612 53.050 0.026 0.000 0.731 115 N CB 0.646 39.144 38.487 0.019 0.000 2.741 115 N HN 0.463 8.759 8.380 0.039 0.107 0.555 116 S N -2.550 113.166 115.700 0.027 0.000 2.446 116 S HA -0.092 4.399 4.470 0.036 0.000 0.225 116 S C 0.769 175.386 174.600 0.029 0.000 1.016 116 S CA 1.797 60.015 58.200 0.030 0.000 0.943 116 S CB 0.379 63.593 63.200 0.023 0.000 0.786 116 S HN 0.010 8.333 8.310 0.022 0.000 0.508 117 R N -0.598 119.917 120.500 0.025 0.000 2.246 117 R HA 0.108 4.458 4.340 0.017 0.000 0.199 117 R C -1.158 175.160 176.300 0.029 0.000 0.984 117 R CA 0.370 56.483 56.100 0.022 0.000 1.015 117 R CB 0.877 31.188 30.300 0.019 0.000 0.930 117 R HN -0.035 8.512 8.270 0.023 -0.263 0.475 118 V N -1.783 118.154 119.914 0.038 0.000 2.443 118 V HA 0.234 4.566 4.120 0.052 -0.181 0.293 118 V C -2.174 173.959 176.094 0.065 0.000 1.021 118 V CA -1.062 61.269 62.300 0.051 0.000 0.848 118 V CB 2.825 34.676 31.823 0.047 0.000 0.998 118 V HN -0.419 8.016 8.190 0.036 -0.223 0.424 119 A N 6.321 129.197 122.820 0.093 0.000 2.587 119 A HA 0.470 4.841 4.320 0.085 0.000 0.293 119 A C -2.851 174.823 177.584 0.151 0.000 1.087 119 A CA -0.942 51.160 52.037 0.108 0.000 0.692 119 A CB 3.342 22.408 19.000 0.110 0.000 1.291 119 A HN 0.241 8.341 8.150 0.104 0.114 0.407 120 S N -1.576 114.198 115.700 0.122 0.000 2.693 120 S HA 0.479 5.169 4.470 0.160 -0.124 0.276 120 S C -0.603 174.046 174.600 0.081 0.000 1.192 120 S CA -1.046 57.227 58.200 0.121 0.000 0.994 120 S CB 1.628 64.879 63.200 0.086 0.000 1.012 120 S HN -0.011 8.356 8.310 0.094 0.000 0.550 121 I N 0.340 120.908 120.570 -0.002 0.000 2.648 121 I HA 0.228 4.310 4.170 -0.146 0.000 0.304 121 I C -1.053 175.006 176.117 -0.098 0.000 1.009 121 I CA -1.561 59.634 61.300 -0.175 0.000 1.114 121 I CB 3.971 41.633 38.000 -0.563 0.000 1.293 121 I HN 0.134 8.359 8.210 0.026 0.000 0.449 122 S N 5.616 121.260 115.700 -0.094 0.000 2.601 122 S HA 0.232 4.684 4.470 -0.030 0.000 0.271 122 S C -0.630 173.941 174.600 -0.049 0.000 1.305 122 S CA -0.316 57.853 58.200 -0.051 0.000 1.022 122 S CB 0.856 64.032 63.200 -0.040 0.000 0.940 122 S HN 0.155 8.395 8.310 -0.117 0.000 0.525 123 L N 2.384 123.594 121.223 -0.022 0.000 2.418 123 L HA 0.155 4.496 4.340 0.001 0.000 0.265 123 L C -1.279 175.588 176.870 -0.006 0.000 1.143 123 L CA -1.896 52.943 54.840 -0.002 0.000 0.809 123 L CB 0.190 42.256 42.059 0.012 0.000 1.124 123 L HN 0.210 8.430 8.230 -0.017 0.000 0.456 124 P HA 0.124 4.534 4.420 -0.018 0.000 0.276 124 P C -1.226 176.074 177.300 -0.001 0.000 1.252 124 P CA -0.711 62.385 63.100 -0.006 0.000 0.802 124 P CB 0.755 32.451 31.700 -0.008 0.000 1.035 128 c N 0.712 119.287 118.600 -0.042 0.000 2.520 128 c HA 0.081 4.612 4.570 -0.065 0.000 0.376 128 c C 0.027 174.057 174.090 -0.100 0.000 1.268 128 c CA -0.647 55.641 56.329 -0.068 0.000 2.414 128 c CB 0.458 42.932 42.510 -0.059 0.000 2.521 128 c HN -0.033 8.176 8.230 -0.036 0.000 0.618 129 A N 1.080 123.802 122.820 -0.163 0.000 2.279 129 A HA 0.090 4.337 4.320 -0.122 0.000 0.303 129 A C -0.807 176.676 177.584 -0.169 0.000 1.108 129 A CA -0.360 51.574 52.037 -0.171 0.000 0.830 129 A CB 1.189 20.052 19.000 -0.230 0.000 1.106 129 A HN 0.208 8.230 8.150 -0.212 0.000 0.493 133 G N 1.945 110.710 108.800 -0.058 0.000 2.253 133 G HA2 -0.315 3.615 3.960 -0.051 0.000 0.251 133 G HA3 -0.315 3.620 3.960 -0.042 0.000 0.251 133 G C 0.284 175.149 174.900 -0.060 0.000 0.998 133 G CA -0.011 45.058 45.100 -0.052 0.000 0.621 133 G HN 0.837 8.981 8.290 -0.059 0.111 0.524 134 T N 3.454 117.962 114.554 -0.078 0.000 2.928 134 T HA -0.190 4.124 4.350 -0.060 0.000 0.305 134 T C -1.109 173.548 174.700 -0.072 0.000 1.035 134 T CA 2.384 64.437 62.100 -0.078 0.000 1.145 134 T CB 0.726 69.528 68.868 -0.110 0.000 0.963 134 T HN -0.511 7.595 8.240 -0.091 0.080 0.545 135 Q N 5.726 125.497 119.800 -0.048 0.000 2.256 135 Q HA 0.172 4.595 4.340 -0.042 -0.108 0.254 135 Q C -0.909 175.073 176.000 -0.029 0.000 0.916 135 Q CA 0.130 55.915 55.803 -0.030 0.000 0.932 135 Q CB 1.516 30.251 28.738 -0.004 0.000 1.207 135 Q HN 0.201 8.446 8.270 -0.040 0.000 0.426 136 c N 3.401 121.985 118.600 -0.026 0.000 3.044 136 c HA 0.629 5.298 4.570 -0.015 -0.108 0.315 136 c C -1.840 172.255 174.090 0.010 0.000 1.320 136 c CA -1.588 54.728 56.329 -0.021 0.000 1.582 136 c CB 4.297 46.776 42.510 -0.052 0.000 2.039 136 c HN 0.676 8.783 8.230 -0.027 0.106 0.466 137 L N 0.805 122.042 121.223 0.023 0.000 2.333 137 L HA 0.882 5.435 4.340 0.052 -0.182 0.280 137 L C -2.188 174.696 176.870 0.023 0.000 1.004 137 L CA -1.366 53.500 54.840 0.044 0.000 0.820 137 L CB 3.235 45.342 42.059 0.080 0.000 1.247 137 L HN 0.640 8.774 8.230 0.019 0.108 0.416 138 I N 7.409 127.976 120.570 -0.005 0.000 2.441 138 I HA 0.832 5.222 4.170 0.003 -0.218 0.295 138 I C -1.277 174.805 176.117 -0.058 0.000 0.994 138 I CA -1.476 59.815 61.300 -0.016 0.000 1.144 138 I CB 2.438 40.427 38.000 -0.018 0.000 1.314 138 I HN 0.831 9.041 8.210 0.000 0.000 0.445 139 S N 2.450 118.107 115.700 -0.071 0.000 2.618 139 S HA 1.019 5.510 4.470 -0.231 -0.159 0.277 139 S C -1.139 173.340 174.600 -0.202 0.000 1.138 139 S CA -1.775 56.310 58.200 -0.192 0.000 0.844 139 S CB 3.753 66.802 63.200 -0.252 0.000 1.127 139 S HN -0.185 8.114 8.310 -0.019 0.000 0.474 140 G N -1.347 107.237 108.800 -0.359 0.000 2.321 140 G HA2 0.116 3.835 3.960 -0.402 0.000 0.298 140 G HA3 0.116 4.163 3.960 -0.057 -0.121 0.298 140 G C -2.272 172.409 174.900 -0.365 0.000 1.385 140 G CA 0.500 45.417 45.100 -0.305 0.000 0.856 140 G HN 0.251 8.264 8.290 -0.462 0.000 0.584 141 W N 1.281 122.524 121.300 -0.095 0.000 3.015 141 W HA 0.375 4.980 4.660 -0.091 0.000 0.429 141 W C -0.201 176.353 176.519 0.058 0.000 0.976 141 W CA -0.966 56.288 57.345 -0.151 0.000 2.086 141 W CB 0.043 29.192 29.460 -0.519 0.000 1.125 141 W HN 0.593 8.951 8.180 0.296 0.000 0.721 142 G N 0.853 109.830 108.800 0.295 0.000 2.621 142 G HA2 -0.053 4.265 3.960 0.573 0.000 0.271 142 G HA3 -0.053 4.250 3.960 0.281 -0.174 0.271 142 G C -0.992 174.023 174.900 0.192 0.000 1.236 142 G CA -0.788 44.527 45.100 0.358 0.000 0.958 142 G HN -0.389 8.162 8.290 0.181 -0.152 0.512 143 N N -0.469 118.242 118.700 0.019 0.000 2.353 143 N HA -0.306 4.153 4.740 -0.746 -0.166 0.248 143 N C 0.886 176.307 175.510 -0.148 0.000 1.240 143 N CA 1.107 53.942 53.050 -0.359 0.000 0.862 143 N CB 0.624 38.898 38.487 -0.355 0.000 1.086 143 N HN 0.044 8.538 8.380 0.189 0.000 0.453 144 T N 0.204 114.663 114.554 -0.158 0.000 3.054 144 T HA 0.195 4.658 4.350 -0.051 -0.143 0.255 144 T C 0.254 174.914 174.700 -0.066 0.000 1.035 144 T CA 0.481 62.535 62.100 -0.076 0.000 0.941 144 T CB 1.467 70.304 68.868 -0.052 0.000 1.026 144 T HN 0.305 8.404 8.240 -0.234 0.000 0.533 145 K N 2.459 122.805 120.400 -0.089 0.000 2.221 145 K HA 0.273 4.571 4.320 -0.038 0.000 0.258 145 K C -0.611 175.965 176.600 -0.040 0.000 0.944 145 K CA -1.133 55.120 56.287 -0.056 0.000 0.823 145 K CB 2.409 34.873 32.500 -0.061 0.000 1.113 145 K HN -0.487 7.953 8.250 -0.141 -0.274 0.431 146 S N 0.274 115.964 115.700 -0.017 0.000 2.458 146 S HA -0.082 4.391 4.470 0.004 0.000 0.223 146 S C -0.038 174.564 174.600 0.002 0.000 1.019 146 S CA 1.657 59.857 58.200 -0.000 0.000 0.937 146 S CB 0.898 64.103 63.200 0.009 0.000 0.788 146 S HN 0.092 8.393 8.310 -0.015 0.000 0.511 147 S N 1.723 117.421 115.700 -0.004 0.000 2.406 147 S HA 0.195 4.669 4.470 0.007 0.000 0.224 147 S C -0.851 173.746 174.600 -0.006 0.000 1.426 147 S CA -0.210 57.990 58.200 0.001 0.000 1.179 147 S CB -0.286 62.916 63.200 0.003 0.000 1.042 147 S HN -0.498 7.778 8.310 -0.009 0.028 0.479 148 G N 1.566 110.362 108.800 -0.008 0.000 2.371 148 G HA2 -0.184 3.777 3.960 0.002 0.000 0.663 148 G HA3 -0.184 3.769 3.960 -0.012 0.000 0.663 148 G C -2.706 172.170 174.900 -0.039 0.000 1.311 148 G CA -0.748 44.345 45.100 -0.012 0.000 0.985 148 G HN -0.266 8.022 8.290 -0.003 0.000 0.566 149 T N -3.659 110.870 114.554 -0.041 0.000 2.791 149 T HA 0.111 4.475 4.350 -0.222 -0.147 0.288 149 T C -1.364 173.247 174.700 -0.149 0.000 0.999 149 T CA -1.262 60.766 62.100 -0.121 0.000 0.952 149 T CB 1.654 70.536 68.868 0.023 0.000 0.938 149 T HN -0.165 8.069 8.240 -0.011 0.000 0.444 150 S N 4.892 120.422 115.700 -0.284 0.000 2.779 150 S HA 0.244 4.696 4.470 -0.031 0.000 0.293 150 S C -2.063 172.386 174.600 -0.252 0.000 1.150 150 S CA -0.749 57.367 58.200 -0.141 0.000 1.057 150 S CB 1.204 64.357 63.200 -0.078 0.000 1.021 150 S HN 0.691 9.162 8.310 -0.422 -0.415 0.485 151 Y N 5.814 126.152 120.300 0.065 0.000 2.342 151 Y HA 0.221 4.827 4.550 0.092 0.000 0.334 151 Y C -0.830 175.117 175.900 0.079 0.000 1.067 151 Y CA -2.676 55.475 58.100 0.085 0.000 1.128 151 Y CB 1.122 39.643 38.460 0.102 0.000 1.200 151 Y HN 0.131 8.545 8.280 0.222 0.000 0.464 152 P HA 0.287 4.784 4.420 0.128 0.000 0.280 152 P C -1.601 175.827 177.300 0.212 0.000 1.272 152 P CA -1.150 62.052 63.100 0.170 0.000 0.819 152 P CB 1.947 33.718 31.700 0.118 0.000 1.122 153 D N -2.572 117.930 120.400 0.170 0.000 2.262 153 D HA -0.016 4.696 4.640 0.120 0.000 0.212 153 D C -0.655 175.802 176.300 0.261 0.000 0.964 153 D CA 1.714 55.807 54.000 0.155 0.000 0.875 153 D CB 0.835 41.694 40.800 0.097 0.000 0.996 153 D HN 0.404 8.854 8.370 0.132 0.000 0.497 154 V N -7.699 112.356 119.914 0.236 0.000 3.096 154 V HA 0.616 5.145 4.120 0.414 -0.160 0.319 154 V C -0.721 175.412 176.094 0.065 0.000 1.082 154 V CA -2.830 59.618 62.300 0.248 0.000 1.022 154 V CB 1.963 33.851 31.823 0.107 0.000 1.103 154 V HN -0.935 7.350 8.190 0.158 0.000 0.455 155 L N 1.410 122.526 121.223 -0.179 0.000 2.455 155 L HA -0.039 3.437 4.340 -1.440 0.000 0.272 155 L C -0.336 176.256 176.870 -0.462 0.000 1.174 155 L CA 0.720 55.102 54.840 -0.764 0.000 0.869 155 L CB 0.541 42.144 42.059 -0.760 0.000 1.130 155 L HN -0.130 8.300 8.230 0.035 -0.179 0.474 156 K N 5.794 125.905 120.400 -0.482 0.000 2.156 156 K HA 0.670 4.936 4.320 -0.341 -0.151 0.250 156 K C -1.107 175.229 176.600 -0.439 0.000 0.955 156 K CA -2.504 53.562 56.287 -0.367 0.000 0.855 156 K CB 2.380 34.733 32.500 -0.245 0.000 1.101 156 K HN -0.191 7.697 8.250 -0.603 0.000 0.434 157 c N -0.829 117.410 118.600 -0.602 0.000 2.707 157 c HA 0.950 5.453 4.570 -0.404 -0.175 0.313 157 c C -1.828 171.893 174.090 -0.615 0.000 1.209 157 c CA -0.688 55.239 56.329 -0.669 0.000 1.635 157 c CB 3.591 45.557 42.510 -0.907 0.000 2.206 157 c HN 0.706 8.510 8.230 -0.710 0.000 0.485 158 L N 0.329 121.411 121.223 -0.235 0.000 2.482 158 L HA 0.389 4.784 4.340 0.091 0.000 0.263 158 L C -2.451 174.491 176.870 0.120 0.000 0.957 158 L CA 0.032 54.879 54.840 0.012 0.000 0.836 158 L CB 4.484 46.564 42.059 0.035 0.000 1.324 158 L HN 0.784 8.911 8.230 -0.173 0.000 0.406 159 K N 5.896 126.430 120.400 0.223 0.000 2.211 159 K HA 0.776 5.368 4.320 0.128 -0.196 0.275 159 K C -0.988 175.740 176.600 0.213 0.000 1.024 159 K CA -1.367 55.030 56.287 0.183 0.000 0.887 159 K CB 1.114 33.725 32.500 0.186 0.000 1.084 159 K HN 0.323 8.741 8.250 0.280 0.000 0.463 160 A N 4.324 127.202 122.820 0.097 0.000 2.486 160 A HA 0.635 4.927 4.320 -0.047 0.000 0.300 160 A C -3.390 174.121 177.584 -0.121 0.000 1.048 160 A CA -2.694 49.326 52.037 -0.029 0.000 0.696 160 A CB 3.067 22.058 19.000 -0.016 0.000 1.278 160 A HN 0.817 8.995 8.150 0.047 0.000 0.405 161 P HA 0.690 5.258 4.420 -0.100 -0.208 0.284 161 P C -1.055 176.178 177.300 -0.112 0.000 1.258 161 P CA -1.426 61.586 63.100 -0.147 0.000 0.824 161 P CB 1.489 33.100 31.700 -0.149 0.000 1.038 162 I N 0.240 120.763 120.570 -0.078 0.000 2.496 162 I HA -0.047 4.281 4.170 0.082 -0.108 0.285 162 I C 0.080 176.189 176.117 -0.014 0.000 1.080 162 I CA 0.467 61.752 61.300 -0.025 0.000 1.404 162 I CB 0.310 38.213 38.000 -0.161 0.000 1.403 162 I HN 0.093 8.247 8.210 -0.094 0.000 0.539 163 L N 6.763 128.013 121.223 0.045 0.000 2.431 163 L HA 0.242 4.576 4.340 -0.010 0.000 0.260 163 L C -0.232 176.660 176.870 0.036 0.000 1.098 163 L CA -0.921 53.934 54.840 0.024 0.000 0.800 163 L CB 0.696 42.778 42.059 0.038 0.000 1.210 163 L HN 0.391 8.584 8.230 0.123 0.111 0.465 164 S N -1.136 114.577 115.700 0.022 0.000 2.593 164 S HA -0.020 4.459 4.470 0.015 0.000 0.269 164 S C 0.373 175.001 174.600 0.046 0.000 1.334 164 S CA -0.522 57.692 58.200 0.023 0.000 1.015 164 S CB 1.322 64.529 63.200 0.013 0.000 0.912 164 S HN -0.025 8.293 8.310 0.013 0.000 0.541 165 D N 1.629 122.057 120.400 0.047 0.000 2.178 165 D HA -0.216 4.475 4.640 0.086 0.000 0.201 165 D C 1.518 177.851 176.300 0.055 0.000 0.980 165 D CA 3.539 57.577 54.000 0.063 0.000 0.842 165 D CB -0.448 40.384 40.800 0.054 0.000 0.948 165 D HN 0.602 8.992 8.370 0.033 0.000 0.472 166 S N -1.075 114.648 115.700 0.039 0.000 2.368 166 S HA -0.278 4.213 4.470 0.036 0.000 0.224 166 S C 2.096 176.715 174.600 0.031 0.000 1.029 166 S CA 3.272 61.492 58.200 0.032 0.000 0.988 166 S CB -0.753 62.460 63.200 0.021 0.000 0.838 166 S HN 0.019 8.333 8.310 0.032 0.015 0.462 167 S N 3.812 119.529 115.700 0.028 0.000 2.383 167 S HA -0.234 4.242 4.470 0.010 0.000 0.227 167 S C 1.800 176.419 174.600 0.031 0.000 1.026 167 S CA 4.170 62.382 58.200 0.020 0.000 0.981 167 S CB -0.109 63.100 63.200 0.015 0.000 0.818 167 S HN -0.513 7.814 8.310 0.028 0.000 0.472 168 c N 3.417 122.054 118.600 0.062 0.000 2.436 168 c HA -0.318 4.319 4.570 0.112 0.000 0.277 168 c C 1.694 175.861 174.090 0.129 0.000 1.241 168 c CA 2.760 59.154 56.329 0.109 0.000 1.721 168 c CB -1.697 40.890 42.510 0.127 0.000 2.043 168 c HN -0.128 8.140 8.230 0.063 0.000 0.472 169 K N -1.127 119.336 120.400 0.106 0.000 2.209 169 K HA -0.336 4.077 4.320 0.155 0.000 0.204 169 K C 2.453 179.097 176.600 0.074 0.000 1.048 169 K CA 2.922 59.274 56.287 0.108 0.000 0.940 169 K CB -0.321 32.229 32.500 0.082 0.000 0.729 169 K HN 0.079 8.382 8.250 0.089 0.000 0.451 170 S N -1.174 114.548 115.700 0.036 0.000 2.387 170 S HA -0.206 4.272 4.470 0.012 0.000 0.226 170 S C 1.376 175.952 174.600 -0.041 0.000 1.026 170 S CA 2.724 60.926 58.200 0.004 0.000 0.972 170 S CB 0.025 63.222 63.200 -0.004 0.000 0.814 170 S HN -0.490 7.732 8.310 0.037 0.110 0.477 171 A N -0.382 122.384 122.820 -0.089 0.000 1.930 171 A HA -0.088 4.078 4.320 -0.257 0.000 0.215 171 A C -0.222 177.098 177.584 -0.440 0.000 1.176 171 A CA 1.988 53.843 52.037 -0.304 0.000 0.632 171 A CB 0.916 19.661 19.000 -0.424 0.000 0.819 171 A HN -0.579 7.439 8.150 -0.040 0.109 0.445 172 Y N -5.645 114.692 120.300 0.062 0.000 2.495 172 Y HA 0.487 5.110 4.550 0.120 0.000 0.362 172 Y C -2.434 173.528 175.900 0.104 0.000 0.956 172 Y CA -3.624 54.546 58.100 0.117 0.000 1.127 172 Y CB -0.287 38.289 38.460 0.193 0.000 1.173 172 Y HN -0.474 7.856 8.280 0.082 0.000 0.639 173 P HA -0.071 4.542 4.420 0.110 -0.127 0.265 173 P C 0.816 178.186 177.300 0.116 0.000 1.193 173 P CA 1.206 64.374 63.100 0.113 0.000 0.765 173 P CB 0.225 31.964 31.700 0.064 0.000 0.823 174 G N 3.129 111.986 108.800 0.095 0.000 2.189 174 G HA2 -0.382 3.611 3.960 0.054 0.000 0.267 174 G HA3 -0.382 3.610 3.960 0.052 0.000 0.267 174 G C 0.052 174.997 174.900 0.075 0.000 0.975 174 G CA 0.826 45.967 45.100 0.068 0.000 0.644 174 G HN 0.334 8.678 8.290 0.090 0.000 0.537 175 Q N -2.216 117.665 119.800 0.135 0.000 2.189 175 Q HA 0.097 4.452 4.340 0.025 0.000 0.223 175 Q C -0.589 175.530 176.000 0.197 0.000 0.828 175 Q CA -0.468 55.408 55.803 0.122 0.000 0.967 175 Q CB 1.498 30.329 28.738 0.155 0.000 1.139 175 Q HN -0.295 8.014 8.270 0.185 0.072 0.497 176 I N 0.591 121.281 120.570 0.200 0.000 2.315 176 I HA 0.043 4.361 4.170 0.246 0.000 0.291 176 I C -0.399 175.793 176.117 0.126 0.000 1.006 176 I CA -2.200 59.215 61.300 0.191 0.000 1.265 176 I CB -0.994 37.111 38.000 0.176 0.000 1.387 176 I HN -0.397 7.920 8.210 0.178 0.000 0.475 177 T N 2.622 117.246 114.554 0.116 0.000 2.910 177 T HA 0.370 4.757 4.350 0.062 0.000 0.279 177 T C 0.818 175.566 174.700 0.080 0.000 0.989 177 T CA -2.086 60.060 62.100 0.077 0.000 0.968 177 T CB 2.201 71.104 68.868 0.059 0.000 1.135 177 T HN -0.411 7.915 8.240 0.143 0.000 0.562 178 S N -2.049 113.684 115.700 0.055 0.000 2.603 178 S HA -0.131 4.378 4.470 0.066 0.000 0.229 178 S C 0.173 174.812 174.600 0.066 0.000 0.972 178 S CA 1.654 59.886 58.200 0.052 0.000 0.935 178 S CB -0.213 62.999 63.200 0.020 0.000 0.769 178 S HN 0.232 8.565 8.310 0.038 0.000 0.536 179 N N -0.224 118.528 118.700 0.087 0.000 2.279 179 N HA 0.202 5.008 4.740 0.110 0.000 0.226 179 N C -1.804 173.825 175.510 0.198 0.000 1.126 179 N CA -0.035 53.098 53.050 0.139 0.000 0.846 179 N CB 0.865 39.455 38.487 0.172 0.000 1.050 179 N HN -0.633 7.713 8.380 0.083 0.084 0.502 180 M N -1.210 118.493 119.600 0.172 0.000 2.593 180 M HA 0.861 5.618 4.480 0.093 -0.221 0.290 180 M C -2.309 174.102 176.300 0.185 0.000 1.244 180 M CA -0.399 54.979 55.300 0.130 0.000 0.857 180 M CB 5.162 37.821 32.600 0.097 0.000 1.738 180 M HN -0.775 7.515 8.290 0.153 0.091 0.461 181 F N -5.754 114.245 119.950 0.081 0.000 2.662 181 F HA 0.610 5.172 4.527 0.059 0.000 0.312 181 F C -2.822 173.034 175.800 0.094 0.000 1.113 181 F CA -1.768 56.278 58.000 0.076 0.000 0.951 181 F CB 2.322 41.365 39.000 0.071 0.000 1.344 181 F HN 0.085 8.224 8.300 -0.268 0.000 0.462 182 c N -0.331 118.430 118.600 0.270 0.000 2.391 182 c HA 0.991 5.801 4.570 0.065 -0.200 0.339 182 c C -1.131 173.153 174.090 0.323 0.000 1.205 182 c CA -1.080 55.360 56.329 0.184 0.000 1.937 182 c CB 2.775 45.363 42.510 0.130 0.000 2.341 182 c HN 0.926 9.355 8.230 0.332 0.000 0.516 183 A N 2.888 125.887 122.820 0.298 0.000 2.476 183 A HA 0.695 5.227 4.320 0.100 -0.152 0.280 183 A C -2.236 175.403 177.584 0.092 0.000 1.081 183 A CA -0.529 51.603 52.037 0.159 0.000 0.753 183 A CB 2.796 21.810 19.000 0.023 0.000 1.248 183 A HN 0.385 8.739 8.150 0.339 0.000 0.424 184 Y N 2.970 123.303 120.300 0.055 0.000 2.404 184 Y HA 0.045 4.615 4.550 0.034 0.000 0.344 184 Y C 1.077 176.993 175.900 0.027 0.000 0.995 184 Y CA 0.001 58.123 58.100 0.037 0.000 1.201 184 Y CB 0.304 38.784 38.460 0.033 0.000 1.151 184 Y HN 0.229 8.652 8.280 0.238 0.000 0.517 185 L N 4.183 125.477 121.223 0.118 0.000 2.275 185 L HA -0.331 4.039 4.340 0.049 0.000 0.215 185 L C 1.101 178.015 176.870 0.073 0.000 1.119 185 L CA 2.242 57.122 54.840 0.067 0.000 0.790 185 L CB -0.450 41.629 42.059 0.032 0.000 0.919 185 L HN 0.526 8.810 8.230 0.090 0.000 0.443 186 E N -3.108 117.154 120.200 0.103 0.000 2.418 186 E HA -0.177 4.200 4.350 0.045 0.000 0.197 186 E C 0.266 176.901 176.600 0.057 0.000 1.026 186 E CA 0.290 56.729 56.400 0.066 0.000 0.862 186 E CB -0.297 29.438 29.700 0.059 0.000 0.799 186 E HN 0.064 8.478 8.360 0.151 0.037 0.518 187 G N 0.914 109.765 108.800 0.085 0.000 3.292 187 G HA2 -0.387 3.643 3.960 0.081 0.000 0.636 187 G HA3 -0.387 3.622 3.960 0.043 -0.023 0.636 187 G C -0.773 174.150 174.900 0.037 0.000 1.069 187 G CA -0.131 45.007 45.100 0.064 0.000 0.890 187 G HN -0.488 7.716 8.290 0.131 0.165 0.427 188 K N 1.386 121.779 120.400 -0.012 0.000 6.729 188 K HA -0.605 3.947 4.320 -0.004 -0.234 0.698 188 K C -1.338 175.350 176.600 0.146 0.000 2.405 188 K CA 0.608 56.898 56.287 0.005 0.000 1.737 188 K CB -0.110 32.277 32.500 -0.188 0.000 1.870 188 K HN 0.198 8.462 8.250 0.024 0.000 0.294 189 D N 0.567 121.040 120.400 0.122 0.000 2.764 189 D HA 0.299 5.061 4.640 0.204 0.000 0.293 189 D C -1.949 174.421 176.300 0.117 0.000 1.287 189 D CA -0.589 53.501 54.000 0.149 0.000 0.768 189 D CB 4.491 45.363 40.800 0.120 0.000 1.288 189 D HN 0.261 8.679 8.370 0.079 0.000 0.426 190 S N -1.706 114.078 115.700 0.141 0.000 2.707 190 S HA 0.403 4.999 4.470 0.095 -0.068 0.276 190 S C -1.394 173.261 174.600 0.092 0.000 1.179 190 S CA -0.702 57.574 58.200 0.126 0.000 0.992 190 S CB 1.861 65.183 63.200 0.204 0.000 1.030 190 S HN 0.292 8.706 8.310 0.173 0.000 0.554 191 c N -1.642 117.014 118.600 0.094 0.000 3.293 191 c HA 0.265 4.881 4.570 0.077 0.000 0.362 191 c C -1.564 172.609 174.090 0.139 0.000 1.539 191 c CA -0.564 55.819 56.329 0.090 0.000 1.201 191 c CB 2.881 45.426 42.510 0.058 0.000 1.770 191 c HN 0.251 8.825 8.230 0.110 -0.278 0.440 192 Q N 1.744 121.638 119.800 0.157 0.000 2.304 192 Q HA -0.375 4.099 4.340 0.222 0.000 0.301 192 Q C 1.071 177.263 176.000 0.320 0.000 1.063 192 Q CA 2.133 58.073 55.803 0.229 0.000 0.947 192 Q CB 0.564 29.441 28.738 0.231 0.000 1.201 192 Q HN 0.467 8.811 8.270 0.124 0.000 0.389 193 G N 6.430 115.424 108.800 0.323 0.000 2.279 193 G HA2 -0.445 3.711 3.960 0.327 0.000 0.223 193 G HA3 -0.445 3.844 3.960 0.549 0.000 0.223 193 G C 0.645 175.781 174.900 0.393 0.000 1.015 193 G CA 1.089 46.434 45.100 0.408 0.000 0.621 193 G HN 0.388 8.844 8.290 0.276 0.000 0.506 194 D N 2.730 123.299 120.400 0.281 0.000 2.305 194 D HA 0.083 4.872 4.640 0.249 0.000 0.206 194 D C 0.125 176.533 176.300 0.179 0.000 0.974 194 D CA 1.056 55.187 54.000 0.219 0.000 0.871 194 D CB 0.567 41.461 40.800 0.157 0.000 0.947 194 D HN -0.017 8.399 8.370 0.255 0.107 0.516 195 S N -0.607 115.197 115.700 0.174 0.000 2.643 195 S HA -0.615 4.072 4.470 0.151 -0.126 0.310 195 S C 0.982 175.606 174.600 0.040 0.000 1.253 195 S CA 2.301 60.581 58.200 0.133 0.000 1.047 195 S CB -0.140 63.173 63.200 0.188 0.000 0.767 195 S HN -0.718 7.749 8.310 0.203 -0.035 0.498 196 G N 4.875 113.683 108.800 0.014 0.000 2.268 196 G HA2 -0.451 3.566 3.960 -0.032 0.000 0.240 196 G HA3 -0.451 3.586 3.960 -0.056 -0.110 0.240 196 G C -0.051 174.883 174.900 0.057 0.000 1.010 196 G CA 0.190 45.283 45.100 -0.012 0.000 0.618 196 G HN 0.909 9.122 8.290 0.047 0.105 0.516 197 G N 1.122 109.980 108.800 0.098 0.000 2.621 197 G HA2 0.367 4.469 3.960 0.123 0.000 0.271 197 G HA3 0.367 4.401 3.960 0.124 0.000 0.271 197 G C -2.678 172.302 174.900 0.134 0.000 1.236 197 G CA -1.892 43.281 45.100 0.122 0.000 0.958 197 G HN -0.146 8.027 8.290 0.106 0.180 0.512 198 P HA 0.317 4.816 4.420 0.131 0.000 0.282 198 P C -1.663 175.700 177.300 0.105 0.000 1.249 198 P CA -0.912 62.279 63.100 0.151 0.000 0.806 198 P CB 1.564 33.419 31.700 0.258 0.000 0.984 199 V N 2.645 122.601 119.914 0.070 0.000 2.380 199 V HA 0.239 4.497 4.120 -0.021 -0.150 0.286 199 V C -1.330 174.777 176.094 0.022 0.000 1.015 199 V CA -0.470 61.833 62.300 0.005 0.000 0.834 199 V CB 1.671 33.469 31.823 -0.041 0.000 1.009 199 V HN -0.199 8.041 8.190 0.083 0.000 0.428 200 V N 8.074 127.994 119.914 0.011 0.000 2.435 200 V HA 0.567 4.832 4.120 -0.057 -0.180 0.290 200 V C -1.324 174.754 176.094 -0.026 0.000 1.030 200 V CA -1.157 61.125 62.300 -0.030 0.000 0.881 200 V CB 2.727 34.524 31.823 -0.044 0.000 0.983 200 V HN 0.523 8.732 8.190 0.032 0.000 0.445 201 c N 7.535 126.106 118.600 -0.048 0.000 2.441 201 c HA 0.561 5.111 4.570 -0.034 0.000 0.318 201 c C 0.126 174.187 174.090 -0.047 0.000 1.222 201 c CA -1.252 55.047 56.329 -0.050 0.000 1.474 201 c CB 2.153 44.614 42.510 -0.082 0.000 2.125 201 c HN 0.619 8.813 8.230 -0.060 0.000 0.479 202 S N 5.390 121.071 115.700 -0.032 0.000 3.559 202 S HA -0.345 4.114 4.470 -0.017 0.000 0.369 202 S C 0.373 174.954 174.600 -0.032 0.000 0.987 202 S CA 0.974 59.157 58.200 -0.028 0.000 1.187 202 S CB -1.342 61.838 63.200 -0.034 0.000 0.914 202 S HN 1.145 9.441 8.310 -0.023 0.000 0.480 203 G N -5.077 103.703 108.800 -0.034 0.000 2.166 203 G HA2 -0.373 3.553 3.960 -0.056 0.000 0.260 203 G HA3 -0.373 3.566 3.960 -0.035 0.000 0.260 203 G C -0.740 174.108 174.900 -0.086 0.000 0.986 203 G CA 0.560 45.628 45.100 -0.053 0.000 0.683 203 G HN 0.318 8.586 8.290 -0.024 0.008 0.527 210 Q N 1.129 120.948 119.800 0.033 0.000 2.396 210 Q HA 0.191 4.565 4.340 0.057 0.000 0.220 210 Q C -0.174 175.984 176.000 0.263 0.000 0.900 210 Q CA 0.239 56.081 55.803 0.065 0.000 0.925 210 Q CB 2.628 31.319 28.738 -0.078 0.000 1.065 210 Q HN 0.329 8.609 8.270 0.017 0.000 0.535 211 G N -3.204 105.774 108.800 0.297 0.000 2.694 211 G HA2 0.624 5.088 3.960 0.427 0.000 0.290 211 G HA3 0.624 4.867 3.960 0.472 0.000 0.290 211 G C -3.249 171.772 174.900 0.203 0.000 1.386 211 G CA -0.821 44.500 45.100 0.369 0.000 0.872 211 G HN -0.338 8.061 8.290 0.181 0.000 0.475 212 I N -1.405 119.280 120.570 0.190 0.000 2.498 212 I HA 0.510 4.975 4.170 0.156 -0.201 0.290 212 I C -0.442 175.813 176.117 0.230 0.000 1.032 212 I CA -1.391 60.006 61.300 0.162 0.000 1.073 212 I CB 4.341 42.395 38.000 0.090 0.000 1.251 212 I HN -0.411 7.982 8.210 0.176 -0.077 0.426 213 V N 7.296 127.362 119.914 0.253 0.000 2.458 213 V HA -0.209 4.064 4.120 0.255 0.000 0.287 213 V C -1.157 174.973 176.094 0.059 0.000 1.009 213 V CA 2.108 64.531 62.300 0.206 0.000 1.091 213 V CB -1.270 30.682 31.823 0.215 0.000 0.960 213 V HN 0.292 8.607 8.190 0.208 0.000 0.476 214 S N 7.606 123.239 115.700 -0.113 0.000 3.200 214 S HA 0.414 5.072 4.470 0.313 0.000 0.209 214 S C -1.411 173.271 174.600 0.137 0.000 0.869 214 S CA 1.092 59.354 58.200 0.103 0.000 0.820 214 S CB 2.472 65.722 63.200 0.084 0.000 0.834 214 S HN -0.096 7.937 8.310 -0.461 0.000 0.622 215 W N -4.458 116.687 121.300 -0.258 0.000 2.961 215 W HA 0.275 4.833 4.660 -0.171 0.000 0.368 215 W C -2.689 173.654 176.519 -0.293 0.000 1.213 215 W CA -0.836 56.364 57.345 -0.241 0.000 1.173 215 W CB 1.540 30.850 29.460 -0.249 0.000 1.487 215 W HN -0.375 7.414 8.180 -0.651 0.000 0.585 216 G N -3.387 105.403 108.800 -0.016 0.000 2.466 216 G HA2 0.059 3.649 3.960 -0.617 0.000 0.291 216 G HA3 0.059 3.908 3.960 -0.186 0.000 0.291 216 G C -2.132 172.870 174.900 0.169 0.000 1.460 216 G CA 0.262 45.257 45.100 -0.175 0.000 0.791 216 G HN -0.049 8.412 8.290 0.287 0.000 0.505 220 c N 1.964 120.598 118.600 0.058 0.000 3.465 220 c HA 0.303 5.040 4.570 0.058 -0.132 0.193 220 c C -1.486 172.634 174.090 0.049 0.000 1.515 220 c CA -0.801 55.560 56.329 0.053 0.000 1.340 220 c CB -1.319 41.217 42.510 0.043 0.000 1.928 220 c HN 0.338 8.598 8.230 0.050 0.000 0.510 221 Q N -1.880 117.950 119.800 0.051 0.000 2.889 221 Q HA 0.127 4.486 4.340 0.031 0.000 0.262 221 Q C -1.575 174.445 176.000 0.033 0.000 0.966 221 Q CA -0.720 55.106 55.803 0.038 0.000 0.858 221 Q CB 2.277 31.038 28.738 0.039 0.000 1.845 221 Q HN -0.001 8.305 8.270 0.060 0.000 0.464 222 K N 3.733 124.146 120.400 0.022 0.000 2.448 222 K HA -0.241 4.226 4.320 0.029 -0.129 0.278 222 K C 0.275 176.871 176.600 -0.007 0.000 1.009 222 K CA 0.687 56.983 56.287 0.016 0.000 0.995 222 K CB 0.027 32.533 32.500 0.010 0.000 0.917 222 K HN 0.244 8.505 8.250 0.019 0.000 0.481 223 N N 2.303 120.995 118.700 -0.013 0.000 2.713 223 N HA -0.476 4.236 4.740 -0.047 0.000 0.251 223 N C -1.718 173.714 175.510 -0.131 0.000 1.117 223 N CA 1.837 54.851 53.050 -0.060 0.000 0.770 223 N CB -0.454 37.994 38.487 -0.065 0.000 1.137 223 N HN 0.771 9.032 8.380 0.008 0.124 0.566 224 K N -2.662 117.688 120.400 -0.083 0.000 2.842 224 K HA 0.542 4.635 4.320 -0.378 0.000 0.176 224 K C -2.400 174.237 176.600 0.061 0.000 1.080 224 K CA -3.464 52.763 56.287 -0.101 0.000 0.954 224 K CB -0.093 32.407 32.500 0.001 0.000 1.203 224 K HN -0.793 7.393 8.250 -0.020 0.052 0.611 225 P HA -0.059 4.420 4.420 0.098 0.000 0.274 225 P C -0.570 176.774 177.300 0.073 0.000 1.260 225 P CA -0.380 62.783 63.100 0.105 0.000 0.793 225 P CB 1.114 32.867 31.700 0.088 0.000 1.048 226 G N -2.518 106.286 108.800 0.008 0.000 2.476 226 G HA2 0.376 4.106 3.960 -0.384 0.000 0.269 226 G HA3 0.376 4.166 3.960 -0.284 0.000 0.269 226 G C -1.868 172.663 174.900 -0.615 0.000 1.195 226 G CA -0.787 44.120 45.100 -0.321 0.000 0.843 226 G HN -0.398 7.965 8.290 0.121 0.000 0.545 227 V N 1.592 120.806 119.914 -1.167 0.000 2.555 227 V HA 0.675 4.547 4.120 -0.709 -0.177 0.302 227 V C -0.973 174.327 176.094 -1.324 0.000 1.038 227 V CA -1.125 60.482 62.300 -1.154 0.000 0.887 227 V CB 2.408 33.183 31.823 -1.746 0.000 0.991 227 V HN 0.375 7.826 8.190 -1.232 0.000 0.434 228 Y N 5.029 124.921 120.300 -0.680 0.000 2.485 228 Y HA 0.583 5.050 4.550 -0.380 -0.145 0.345 228 Y C 0.363 175.980 175.900 -0.471 0.000 0.998 228 Y CA -2.236 55.476 58.100 -0.647 0.000 1.059 228 Y CB 3.581 41.383 38.460 -1.097 0.000 1.234 228 Y HN 0.971 8.846 8.280 -0.675 0.000 0.461 229 T N 4.922 119.444 114.554 -0.053 0.000 2.870 229 T HA -0.010 4.548 4.350 0.099 -0.149 0.300 229 T C -0.624 174.209 174.700 0.222 0.000 0.989 229 T CA 1.548 63.697 62.100 0.080 0.000 1.139 229 T CB 0.515 69.410 68.868 0.046 0.000 0.920 229 T HN 0.370 8.610 8.240 -0.000 0.000 0.537 230 K N 8.159 128.775 120.400 0.360 0.000 2.171 230 K HA 0.081 4.815 4.320 0.689 0.000 0.274 230 K C 0.982 177.841 176.600 0.431 0.000 1.110 230 K CA -0.435 56.141 56.287 0.481 0.000 0.952 230 K CB -0.385 32.346 32.500 0.385 0.000 1.309 230 K HN 0.214 8.557 8.250 0.327 0.103 0.414 231 V N 6.151 126.294 119.914 0.382 0.000 2.469 231 V HA -0.519 3.891 4.120 0.483 0.000 0.251 231 V C 1.418 177.678 176.094 0.276 0.000 1.064 231 V CA 3.868 66.379 62.300 0.352 0.000 1.066 231 V CB -0.315 31.642 31.823 0.223 0.000 0.667 231 V HN 0.287 8.712 8.190 0.391 0.000 0.461 232 c N -3.440 115.260 118.600 0.166 0.000 2.409 232 c HA -0.221 4.397 4.570 0.079 0.000 0.284 232 c C 1.597 175.714 174.090 0.044 0.000 1.354 232 c CA 1.666 58.044 56.329 0.081 0.000 1.787 232 c CB -2.102 40.425 42.510 0.029 0.000 1.900 232 c HN 0.466 8.775 8.230 0.161 0.017 0.520 233 N N -0.017 118.682 118.700 -0.002 0.000 2.467 233 N HA -0.068 4.582 4.740 -0.150 0.000 0.184 233 N C -0.154 175.127 175.510 -0.382 0.000 1.106 233 N CA 1.000 53.908 53.050 -0.237 0.000 0.892 233 N CB -0.149 38.072 38.487 -0.442 0.000 0.969 233 N HN -0.368 8.022 8.380 0.086 0.042 0.454 234 Y N -4.834 115.531 120.300 0.108 0.000 2.557 234 Y HA 0.125 4.804 4.550 0.214 0.000 0.247 234 Y C 0.210 176.242 175.900 0.220 0.000 1.164 234 Y CA -0.323 57.895 58.100 0.196 0.000 1.218 234 Y CB -0.013 38.579 38.460 0.219 0.000 1.210 234 Y HN -0.154 8.067 8.280 0.220 0.191 0.529 235 V N 1.025 121.077 119.914 0.230 0.000 2.287 235 V HA -0.572 3.641 4.120 0.155 0.000 0.248 235 V C 1.338 177.504 176.094 0.120 0.000 1.053 235 V CA 5.005 67.395 62.300 0.149 0.000 1.027 235 V CB -0.605 31.268 31.823 0.083 0.000 0.646 235 V HN -0.772 7.517 8.190 0.165 0.000 0.447 236 S N -0.065 115.706 115.700 0.118 0.000 2.368 236 S HA -0.331 4.162 4.470 0.038 0.000 0.225 236 S C 1.650 176.322 174.600 0.121 0.000 1.030 236 S CA 3.573 61.825 58.200 0.087 0.000 0.999 236 S CB -0.495 62.753 63.200 0.079 0.000 0.844 236 S HN 0.139 8.517 8.310 0.113 0.000 0.459 237 W N 4.027 125.363 121.300 0.061 0.000 2.355 237 W HA -0.166 4.521 4.660 0.045 0.000 0.309 237 W C 1.362 177.898 176.519 0.029 0.000 1.206 237 W CA 3.102 60.495 57.345 0.080 0.000 1.284 237 W CB -0.005 29.587 29.460 0.221 0.000 1.145 237 W HN -0.435 7.971 8.180 0.377 0.000 0.502 238 I N -0.977 119.623 120.570 0.050 0.000 2.127 238 I HA -0.766 3.044 4.170 -0.600 0.000 0.241 238 I C 1.951 177.852 176.117 -0.360 0.000 1.075 238 I CA 4.613 65.757 61.300 -0.260 0.000 1.334 238 I CB -0.207 37.787 38.000 -0.010 0.000 1.040 238 I HN 0.451 8.874 8.210 0.356 0.000 0.405 239 K N -1.049 119.233 120.400 -0.197 0.000 2.057 239 K HA -0.427 3.749 4.320 -0.240 0.000 0.207 239 K C 2.763 179.218 176.600 -0.242 0.000 1.049 239 K CA 3.795 59.961 56.287 -0.201 0.000 0.931 239 K CB -0.369 32.070 32.500 -0.101 0.000 0.714 239 K HN -0.042 8.157 8.250 -0.085 0.000 0.440 240 Q N -1.837 117.831 119.800 -0.220 0.000 2.079 240 Q HA -0.287 3.960 4.340 -0.154 0.000 0.200 240 Q C 2.640 178.453 176.000 -0.311 0.000 0.974 240 Q CA 3.467 59.146 55.803 -0.206 0.000 0.840 240 Q CB 0.080 28.741 28.738 -0.129 0.000 0.898 240 Q HN 0.242 8.299 8.270 -0.174 0.107 0.430 241 T N 2.759 117.001 114.554 -0.519 0.000 2.746 241 T HA -0.269 3.835 4.350 -0.411 0.000 0.267 241 T C 2.321 176.697 174.700 -0.540 0.000 1.039 241 T CA 4.970 66.718 62.100 -0.587 0.000 1.142 241 T CB -0.174 68.071 68.868 -1.039 0.000 0.866 241 T HN 0.075 7.937 8.240 -0.630 0.000 0.444 242 I N 0.944 121.095 120.570 -0.698 0.000 2.226 242 I HA -0.457 2.980 4.170 -1.222 0.000 0.245 242 I C 1.764 177.667 176.117 -0.356 0.000 1.100 242 I CA 3.782 64.574 61.300 -0.847 0.000 1.374 242 I CB -0.401 37.025 38.000 -0.957 0.000 1.057 242 I HN 0.082 7.882 8.210 -0.684 0.000 0.413 243 A N -0.492 122.169 122.820 -0.265 0.000 1.972 243 A HA -0.220 4.044 4.320 -0.093 0.000 0.219 243 A C 1.372 178.909 177.584 -0.079 0.000 1.169 243 A CA 2.792 54.751 52.037 -0.130 0.000 0.635 243 A CB -0.470 18.462 19.000 -0.114 0.000 0.810 243 A HN 0.010 7.974 8.150 -0.310 0.000 0.446 244 S N -4.562 111.079 115.700 -0.098 0.000 2.577 244 S HA 0.090 4.545 4.470 -0.024 0.000 0.219 244 S C -0.947 173.656 174.600 0.005 0.000 0.962 244 S CA 0.873 59.047 58.200 -0.043 0.000 0.921 244 S CB 0.784 63.949 63.200 -0.059 0.000 0.789 244 S HN -0.414 7.682 8.310 -0.163 0.116 0.497 245 N N 0.000 118.732 118.700 0.053 0.000 1.763 245 N HA 0.000 4.810 4.740 0.117 0.000 0.220 245 N CA 0.000 53.155 53.050 0.175 0.000 0.885 245 N CB 0.000 38.665 38.487 0.296 0.000 1.341 245 N HN 0.000 8.227 8.380 0.020 0.165 0.667