NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4786 8.1933 115.4142 58.3221 65.5783 175.6202 3 K 3.8683 7.7025 121.2678 56.6236 32.2026 175.6804 4 E 3.9068 9.0979 121.1880 59.7767 29.7979 178.9541 5 V 3.7619 7.7150 111.3300 63.7449 31.8066 178.0428 6 L 3.9236 7.6441 120.3796 58.2971 42.0512 178.6864 7 E 3.9220 8.7768 119.3908 59.1552 29.5465 178.6990 8 K 4.1841 8.1072 119.5985 59.5762 32.0876 178.4443 9 E 3.9874 8.4748 118.8566 59.2332 29.6172 178.4933 10 L 4.1188 7.9694 118.2761 57.6530 41.9225 178.9732 11 F 4.2810 8.3452 117.8622 60.6570 38.9089 178.6803 12 E 4.2641 8.1060 115.5031 56.8034 29.0894 178.7027 *14 L 4.3501 7.8832 122.9899 55.2373 44.1316 178.1284 15 D 4.4028 8.6422 118.1766 57.3219 40.9494 178.1758 16 E 3.9438 8.3091 117.9723 59.6167 29.5586 178.4847 17 D 4.4480 8.2083 119.8411 57.1717 40.8647 179.1938 18 V 3.5748 7.9368 118.2912 65.9135 31.3286 178.0686 19 R 3.8974 7.9194 116.8046 59.9986 30.2445 177.8120 20 E 3.7972 9.1367 119.1875 59.6247 29.3960 178.2631 21 L 3.8947 8.6297 119.6960 58.5944 42.1915 179.5173 22 L 4.0114 8.4534 120.0538 57.9251 41.8571 179.3137 23 S 4.2280 8.4233 115.8624 61.4601 62.8272 176.0907 24 L 3.9692 8.0002 121.2244 58.1315 41.3594 179.4374 25 I 3.6428 7.6094 119.1953 64.8562 36.8454 178.2906 26 H 4.1799 7.5241 113.8610 58.7537 28.6591 176.8543 27 E 4.0910 8.0667 119.9736 59.8739 29.4498 178.9113 28 I 3.8650 8.1160 118.1884 63.7769 38.3273 178.3478 29 K 4.4821 8.2682 120.3001 54.9654 28.2832 178.6015 *39 K 4.0176 7.4840 118.2131 56.4099 33.1915 176.7906 40 Q 4.0899 8.6585 126.3751 58.7424 29.3802 178.3532 41 K 4.2517 7.9327 116.3787 58.2944 33.0604 178.6436 42 L 3.9944 8.1438 120.3702 58.2056 42.0189 179.0725 43 G 3.4598 7.6716 104.2130 47.4482 0.0000 175.6355 44 K 4.3706 7.7025 120.3686 59.4865 32.4659 178.5099 45 A 3.9567 8.1402 121.3935 55.8462 18.0402 179.0681 46 Y 3.7823 7.3400 117.4822 60.6398 38.6587 178.0174 47 F 4.4646 7.1368 117.4678 60.1966 38.8995 177.4029 48 Q 3.9443 8.0371 119.2066 59.3469 28.9172 178.3067 49 V 3.4495 7.5429 118.7436 66.3182 31.3760 177.8472 50 Q 3.8580 7.5659 119.2026 58.5513 28.7503 178.1380 51 K 3.9067 7.7362 120.8591 59.4010 32.3061 178.5788 52 I 3.9945 7.7676 121.7014 63.7832 37.1028 177.5648 53 E 3.8846 8.6164 119.8757 59.6687 29.2854 178.9495 54 A 4.1024 7.8010 119.9031 54.9090 18.2963 179.4650 55 E 3.8852 8.4243 117.5379 59.3436 29.5377 179.2278 56 L 3.8464 8.0582 120.3714 58.2506 42.1999 178.0198 57 Y 3.7951 7.9905 119.4117 60.9593 38.6302 177.9938 58 Q 4.0058 8.4677 120.3135 59.2349 29.0737 178.0954 59 L 3.8149 8.4068 121.5668 58.0782 42.0595 178.9625 60 I 3.6091 8.1064 119.9960 64.2892 36.8227 178.3432 61 K 3.8048 7.6070 117.7557 59.7594 31.9948 179.4897 62 V 3.8360 7.7049 111.3848 64.2679 31.6347 178.5813 63 S 4.4703 8.2033 114.8416 59.9771 63.6207 174.5915 64 H 4.7786 7.8686 120.1592 56.8495 29.0630 176.5097 65 H 3.7766 8.6772 116.4186 58.8294 29.2552 174.3756 66 H 4.5516 7.6618 121.1016 55.4826 28.0951 173.9657 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 2 S 8.19 4.48 0.00 4.02 4.12 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 3 K 7.70 3.87 0.00 1.89 1.91 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 E 9.10 3.91 0.00 2.04 2.04 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 2.40 2.44 0.00 5 V 7.72 3.76 2.10 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 0.73 0.00 0.00 0.98 0.00 0.00 6 L 7.64 3.92 0.00 1.72 1.85 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.78 3.92 0.00 2.07 2.22 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 2.63 2.50 0.00 8 K 8.11 4.18 0.00 2.10 1.94 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 9 E 8.47 3.99 0.00 2.04 2.19 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 2.34 2.51 0.00 10 L 7.97 4.12 0.00 1.68 1.58 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.35 4.28 0.00 3.43 3.07 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 12 E 8.11 4.26 0.00 2.21 1.99 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 2.36 2.38 0.00 *14 L 7.88 4.35 0.00 1.87 1.93 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.64 4.40 0.00 2.98 2.70 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 E 8.31 3.94 0.00 2.26 2.21 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 2.61 2.37 0.00 17 D 8.21 4.45 0.00 2.91 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 18 V 7.94 3.57 2.10 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 1.03 0.00 0.00 1.02 0.00 0.00 19 R 7.92 3.90 0.00 2.01 2.01 0.00 3.42 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 20 E 9.14 3.80 0.00 2.11 2.16 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 2.33 2.51 0.00 21 L 8.63 3.89 0.00 1.84 1.93 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.45 4.01 0.00 1.91 1.80 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.42 4.23 0.00 4.10 3.91 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 L 8.00 3.97 0.00 1.90 1.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.61 3.64 1.73 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.93 0.82 0.00 0.00 26 H 7.52 4.18 0.00 3.32 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.07 4.09 0.00 2.04 2.31 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 2.35 2.55 0.00 28 I 8.12 3.87 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.91 0.91 0.00 0.00 29 K 8.27 4.48 0.00 1.92 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 *39 K 7.48 4.02 0.00 1.92 2.03 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.37 7.81 40 Q 8.66 4.09 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 41 K 7.93 4.25 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.45 7.81 42 L 8.14 3.99 0.00 1.69 1.62 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.67 3.46 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 0.00 0.00 0.00 0.00 44 K 7.70 4.37 0.00 2.18 1.98 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.61 7.81 45 A 8.14 3.96 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 46 Y 7.34 3.78 0.00 2.86 2.57 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 F 7.14 4.46 0.00 3.37 3.05 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 48 Q 8.04 3.94 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 49 V 7.54 3.45 1.89 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 0.79 0.00 0.00 0.88 0.00 0.00 50 Q 7.57 3.86 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 51 K 7.74 3.91 0.00 1.87 2.03 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.61 7.81 52 I 7.77 3.99 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.89 0.00 0.00 53 E 8.62 3.88 0.00 2.08 2.11 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 2.33 2.35 0.00 54 A 7.80 4.10 1.31 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 55 E 8.42 3.89 0.00 2.15 1.97 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 2.32 2.44 0.00 56 L 8.06 3.85 0.00 1.83 1.84 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.99 3.80 0.00 3.30 3.13 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 58 Q 8.47 4.01 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 59 L 8.41 3.81 0.00 1.58 1.73 0.33 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.11 3.61 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.72 0.00 0.00 61 K 7.61 3.80 0.00 1.86 1.86 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.48 7.81 62 V 7.70 3.84 2.08 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 0.84 0.00 0.00 0.92 0.00 0.00 63 S 8.20 4.47 0.00 3.94 4.14 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 64 H 7.87 4.78 0.00 3.37 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.68 3.78 0.00 3.22 3.43 0.00 5.55 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.66 4.55 0.00 3.39 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.