NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2754 8.4449 120.2239 55.8382 31.5800 174.9222 2 T 4.2708 7.7334 116.5707 61.3321 70.0878 172.4332 3 S 4.6338 8.7012 122.4327 56.8418 67.7224 172.9166 4 Y 4.6646 8.3205 119.3409 56.8532 40.9452 174.8966 5 T 4.7314 8.5798 121.2691 61.5148 71.3281 173.4933 6 L 4.7976 8.3320 125.7070 53.3539 45.1545 175.1773 7 N 5.1304 8.5862 122.0436 51.6128 42.0092 173.2569 8 E 4.6310 8.3631 120.6486 54.9761 32.6578 174.2469 9 V 4.0001 8.2416 124.3374 61.7099 32.1950 175.7509 10 V 4.3817 8.1147 126.3126 60.4100 32.9152 173.4651 11 P 4.6776 0.0000 0.0000 61.9920 29.0244 176.9267 12 L 4.0674 8.2321 122.1185 58.0647 41.7634 178.8387 13 K 3.9298 7.9802 117.4559 59.0532 32.1293 177.8593 14 E 3.9473 7.9947 117.9563 57.7056 29.4733 177.1119 15 F 4.8689 7.6740 116.5118 57.4838 40.9653 176.1499 16 V 4.5031 7.4198 117.7486 58.7760 33.5617 173.4506 17 P 4.5758 0.0000 0.0000 62.2325 32.0421 176.6334 18 E 3.9980 8.7857 118.7557 58.4523 29.5233 177.8332 19 W 4.7424 8.0657 117.4773 54.8732 31.0699 175.3820 20 V 4.6611 8.3003 114.7161 59.7526 35.2226 174.6981 21 R 4.7278 8.3795 119.3912 54.3922 32.5824 175.6897 22 I 4.5468 7.5784 112.9810 59.1314 40.6038 175.9135 23 G 3.7876 7.2160 106.7662 46.0144 0.0000 172.3591 24 F 4.9944 8.5740 117.5139 55.6495 42.5047 174.3774 25 S 4.7221 8.3955 116.1737 56.9331 66.0021 172.9281 26 A 4.5882 8.0708 122.8104 51.5011 21.7855 175.5136 27 T 4.7328 7.8693 108.7134 60.3732 71.8740 172.8452 28 T 4.9764 8.2249 111.3256 60.2799 73.4495 175.2799 29 G 4.2361 8.4950 113.3680 45.8040 0.0000 175.8149 30 A 4.2694 9.1824 129.2992 52.9409 19.1830 177.6716 31 E 4.7232 7.7986 114.7391 54.6942 32.6463 174.2959 32 F 4.9517 7.1241 113.4619 56.5507 40.3902 172.6334 33 A 4.3881 8.0824 121.2534 51.5916 21.2875 175.6409 34 A 4.3667 8.4686 122.8093 51.7277 19.6095 177.1364 35 H 4.8180 8.6415 118.3565 54.0024 31.3276 173.1051 36 E 4.6444 8.5316 122.9982 54.3392 33.2980 175.0542 37 V 4.2207 8.0940 121.2939 61.1124 33.5956 175.2899 38 L 4.4965 8.2890 125.7102 55.9507 42.8962 176.5483 39 S 4.7578 7.6018 109.7196 57.3763 65.2646 173.7899 40 W 5.5477 8.6114 130.6034 56.4254 33.4598 173.3055 41 Y 4.8398 8.9226 125.6812 55.7325 41.3091 174.0696 42 F 4.2207 7.4704 126.5526 56.5343 42.6012 173.0669 43 H 4.5000 7.1601 125.7136 54.1645 32.4859 172.4090 44 S 4.4611 8.0515 120.4247 56.1286 65.5538 172.9413 45 E 4.3933 8.4069 122.2096 54.2412 31.8775 174.2361 46 L 4.5049 8.3853 127.5428 52.8869 43.9510 175.6972 47 A 4.1561 8.5529 127.9031 52.5023 18.3778 176.7208 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 E 8.44 4.28 0.00 1.95 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 2.20 2.27 0.00 2 T 7.73 4.27 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 1.13 0.00 0.00 3 S 8.70 4.63 0.00 3.65 3.63 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 4 Y 8.32 4.66 0.00 2.93 2.82 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 T 8.58 4.73 4.27 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 6 L 8.33 4.80 0.00 1.55 1.51 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.59 5.13 0.00 2.69 2.67 0.00 0.00 6.78 7.66 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 8 E 8.36 4.63 0.00 1.86 1.77 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 2.19 2.36 0.00 9 V 8.24 4.00 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 0.86 0.00 0.00 0.95 0.00 0.00 10 V 8.11 4.38 2.14 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 1.01 0.00 0.00 0.94 0.00 0.00 11 P 0.00 4.68 0.00 2.07 1.95 0.00 4.07 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 12 L 8.23 4.07 0.00 1.76 1.78 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 3.93 0.00 1.69 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.48 7.81 14 E 7.99 3.95 0.00 1.16 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 2.15 2.14 0.00 15 F 7.67 4.87 0.00 3.06 3.03 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 V 7.42 4.50 2.14 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 0.79 0.00 0.00 1.00 0.00 0.00 17 P 0.00 4.58 0.00 2.32 2.10 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 E 8.79 4.00 0.00 2.00 1.82 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 2.26 2.32 0.00 19 W 8.07 4.74 0.00 3.23 3.11 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 0.00 0.00 0.00 20 V 8.30 4.66 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 0.80 0.00 0.00 0.95 0.00 0.00 21 R 8.38 4.73 0.00 1.77 1.81 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 22 I 7.58 4.55 1.76 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.62 0.77 0.00 0.00 23 G 7.22 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.57 4.99 0.00 2.76 2.64 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 S 8.40 4.72 0.00 3.90 3.77 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 26 A 8.07 4.59 1.00 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 27 T 7.87 4.73 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 1.19 0.00 0.00 28 T 8.22 4.98 4.55 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 1.37 0.00 0.00 29 G 8.49 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 0.00 0.00 0.00 0.00 30 A 9.18 4.27 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 31 E 7.80 4.72 0.00 1.96 1.69 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 2.22 0.00 32 F 7.12 4.95 0.00 3.05 2.98 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 33 A 8.08 4.39 1.11 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 0.00 0.00 0.00 0.00 0.00 34 A 8.47 4.37 1.24 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 0.00 0.00 0.00 35 H 8.64 4.82 0.00 3.04 3.14 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 36 E 8.53 4.64 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 37 V 8.09 4.22 1.73 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 0.46 0.00 0.00 0.12 0.00 0.00 38 L 8.29 4.50 0.00 1.65 1.71 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.60 4.76 0.00 4.05 3.86 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 40 W 8.61 5.55 0.00 3.35 3.06 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 41 Y 8.92 4.84 0.00 2.98 2.91 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 42 F 7.47 4.22 0.00 2.52 2.32 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 43 H 7.16 4.50 0.00 2.95 2.95 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.05 4.46 0.00 3.89 3.65 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 45 E 8.41 4.39 0.00 1.78 1.75 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 2.14 2.23 0.00 46 L 8.39 4.50 0.00 1.47 1.42 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.55 4.16 1.22 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 0.00 0.00 0.00 0.00 0.00