NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8870 8.3549 109.7366 45.2265 0.0000 173.0191 2 K 4.2532 8.4695 122.2177 52.5675 33.2726 174.7272 3 K 4.4033 8.2953 123.7975 55.7068 35.3211 176.8220 4 S 4.5910 8.1176 116.3986 57.1217 66.3229 175.0795 5 K 3.9305 8.3762 121.0503 59.5797 31.8910 178.4581 6 A 4.0171 7.9026 120.6808 55.4368 18.4255 179.5690 7 T 3.8425 7.7690 114.0708 66.5994 68.4101 176.8518 8 K 3.9867 8.0706 121.6368 59.3848 32.2090 179.1433 9 K 4.0013 7.9721 118.7779 59.3222 31.8860 179.6843 10 R 3.9331 7.9938 118.4787 59.2837 30.1812 179.0830 11 L 4.0064 8.1309 118.5949 57.6007 41.4122 179.4443 12 A 4.0162 8.2487 121.0853 54.8738 18.2268 179.6714 13 K 3.8957 8.0075 118.1927 59.7427 32.1427 179.1459 14 L 4.2272 7.8178 119.2938 57.1992 41.4249 178.7429 15 D 4.4700 8.0424 117.8139 57.1568 41.2307 177.8011 16 N 4.3642 7.9443 117.7791 56.5831 38.8977 176.8310 17 Q 4.1582 8.4124 119.1924 57.9581 28.5380 176.9654 18 N 4.7951 7.4509 116.5199 53.0283 39.3192 174.7972 19 S 4.4621 7.0660 113.4256 57.9090 64.3017 174.0349 20 R 4.0178 8.0987 121.4951 55.7551 30.5405 176.1961 21 V 3.6394 8.0265 122.0968 61.3934 31.8303 174.1010 22 P 4.1509 0.0000 0.0000 62.7712 31.7388 176.8092 23 A 3.9958 8.7397 123.0097 55.3343 18.6327 180.0094 24 W 4.4521 7.9940 112.9294 59.4130 28.3448 178.6918 25 V 3.4985 6.9695 119.0451 65.8454 30.7718 177.9005 26 M 4.0780 7.5793 117.4801 58.1061 31.2718 178.5217 27 L 4.1177 7.7758 118.6797 57.1569 41.8391 179.0891 28 K 3.8736 8.1621 119.7853 59.1142 32.2973 177.6721 29 T 4.1819 7.9798 106.7193 61.2513 69.7370 173.8925 30 D 4.2996 7.8919 121.0013 55.5446 38.5921 170.4946 31 R 3.5866 7.9709 124.0733 55.5099 31.2834 177.0883 *35 R 3.7735 8.3759 119.7064 56.0830 30.4051 175.1130 36 N 4.5312 8.3472 122.9719 52.2898 38.1370 174.4544 37 H 4.4976 8.4252 122.8629 57.3093 29.1531 176.4678 38 K 4.5266 7.4379 117.6334 55.9243 32.3612 176.6404 39 R 3.9951 8.0727 118.9322 56.3364 29.8974 176.1187 40 R 4.5658 8.4957 123.4188 54.4964 32.5419 174.1567 41 H 5.0011 8.4283 124.3539 53.7098 31.9198 175.2921 42 W 4.2120 8.4599 122.2249 59.0990 28.1679 177.0455 43 R 3.9778 6.4511 117.5954 58.0968 30.2259 177.2821 44 R 3.8854 7.8071 115.4968 58.8578 30.1557 176.8002 45 N 4.8262 7.5072 112.8473 51.6437 40.5740 173.5250 46 D 4.7641 8.1634 117.4858 52.8825 44.0978 175.0590 47 T 4.3914 8.2405 115.9643 60.3704 71.0091 173.3579 48 D 4.5879 8.2866 121.7208 54.0357 42.1715 176.6649 49 E 4.1180 8.5996 118.4398 57.2405 29.4222 174.7881 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.47 4.25 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.43 7.81 3 K 8.30 4.40 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.12 4.59 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.38 3.93 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.50 7.81 6 A 7.90 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.77 3.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 K 8.07 3.99 0.00 2.02 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.97 4.00 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.60 7.81 10 R 7.99 3.93 0.00 2.05 1.98 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 11 L 8.13 4.01 0.00 1.83 1.72 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.25 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.01 3.90 0.00 1.96 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 L 7.82 4.23 0.00 1.84 1.74 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.04 4.47 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.94 4.36 0.00 2.79 2.92 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.41 4.16 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 18 N 7.45 4.80 0.00 2.98 2.86 0.00 0.00 7.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.07 4.46 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.10 4.02 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 21 V 8.03 3.64 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.15 0.00 1.50 2.06 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.65 0.00 23 A 8.74 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 7.99 4.45 0.00 3.58 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 6.97 3.50 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 -0.25 0.00 0.00 26 M 7.58 4.08 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 27 L 7.78 4.12 0.00 1.91 1.76 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.16 3.87 0.00 2.10 1.96 0.00 2.12 0.00 0.00 2.00 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.49 7.81 29 T 7.98 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 30 D 7.89 4.30 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.97 3.59 0.00 1.96 1.93 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.38 3.77 0.00 1.72 1.73 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 N 8.35 4.53 0.00 2.61 2.71 0.00 0.00 7.28 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.43 4.50 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.44 4.53 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 8.07 4.00 0.00 1.79 1.90 0.00 3.13 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 40 R 8.50 4.57 0.00 1.74 1.80 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.43 5.00 0.00 3.15 3.00 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.46 4.21 0.00 3.51 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 6.45 3.98 0.00 0.67 1.34 0.00 2.50 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.25 0.00 44 R 7.81 3.89 0.00 1.73 1.90 0.00 3.32 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 45 N 7.51 4.83 0.00 2.95 2.77 0.00 0.00 6.77 8.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.16 4.76 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.24 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.29 4.59 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.60 4.12 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.