NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8056 7.9127 114.0592 62.7533 33.0437 178.6245 2 R 2.7408 8.0930 118.9613 57.6187 32.6693 174.2258 3 E 3.9156 9.2216 119.8024 59.5320 30.4329 179.6478 4 V 4.0028 7.6753 110.2291 63.7121 31.7614 178.6947 5 C 4.6340 8.0063 116.3639 58.6865 40.0026 174.2479 6 S 4.6741 7.7125 113.2092 57.8792 62.9971 174.1219 7 E 4.3501 7.8060 121.3110 55.7370 30.1883 176.3206 8 Q 4.0165 8.3194 120.4987 55.2875 29.4754 176.2876 9 A 3.0858 7.6688 123.9803 52.0483 18.4862 176.7883 10 E 4.5323 8.0499 123.3417 54.3416 31.3078 175.5626 11 T 4.1778 8.6519 124.6471 64.8514 68.8088 176.0191 12 G 4.3170 8.4412 105.9551 45.4134 0.0000 171.1008 13 P 4.4428 0.0000 0.0000 63.6289 31.5278 177.1195 14 C 4.5634 7.7503 117.3132 56.8112 41.1842 173.7388 15 R 4.3383 8.1871 117.4732 56.1084 30.1726 176.5847 16 A 4.2402 8.0168 121.9328 51.5901 20.0783 177.3853 17 M 4.8734 7.9523 116.7778 53.6955 31.6782 174.7198 18 I 4.2591 8.4096 121.3613 60.1249 39.3403 175.8976 19 S 4.2533 8.8019 122.9997 58.0949 62.8884 173.0760 20 R 4.9454 8.3998 125.3604 54.2121 34.8036 174.1063 21 W 5.5984 9.4961 119.3241 55.3318 32.7683 174.6897 22 Y 5.5049 9.2101 120.7854 55.2070 41.4025 173.8928 23 F 4.4038 9.9494 124.4325 57.7504 40.4940 174.2248 24 D 4.5226 7.6222 126.7406 52.5659 41.5722 177.4972 25 V 3.6862 8.4037 120.6031 64.5969 32.1073 178.2103 26 T 4.0681 7.9609 115.7241 66.5228 68.5409 175.7484 27 E 3.9583 8.2394 119.8816 57.1935 29.6432 177.7298 28 G 3.8394 9.2579 106.2483 45.4215 0.0000 172.5517 29 K 4.5597 6.6543 117.5636 55.8003 35.9305 174.8434 30 C 4.9803 8.6971 117.2527 56.7532 41.2623 173.3494 31 A 5.0796 8.6734 123.1982 49.5111 22.5952 173.8002 32 P 4.2173 0.0000 0.0000 62.3645 32.8431 175.0061 33 F 4.7286 8.1552 113.9893 56.1820 41.6595 172.7481 34 F 4.9254 8.7013 118.8569 56.3585 40.1225 174.6845 35 Y 4.6663 8.9585 126.6750 56.1247 39.8633 176.7519 36 G 3.8395 8.2995 114.0751 47.0347 0.0000 174.9818 37 G 3.7954 6.3874 107.1803 45.4598 0.0000 172.3774 38 C 5.0057 7.3131 112.9147 54.6894 45.6238 174.5441 39 G 3.8357 9.0764 107.8322 48.0075 0.0000 173.6649 40 G 3.9824 8.9914 112.4507 44.6868 0.0000 169.8410 41 N 4.9642 7.9777 115.0349 51.7460 39.7946 173.7703 42 R 3.8755 8.4958 115.2290 58.7331 30.8478 176.9250 43 N 4.5807 8.0649 119.0226 51.0523 37.1649 174.1194 44 N 4.9048 6.5001 116.0371 52.9474 40.6584 173.0246 45 F 4.9728 9.1854 125.2615 55.3321 41.9587 176.8311 46 D 4.5815 9.5039 124.4926 57.1319 41.1869 177.1685 47 T 4.8472 7.8347 107.4083 58.8205 73.2931 174.3399 48 E 2.9160 7.5639 121.7693 58.9569 29.4486 178.7305 49 E 3.7988 7.7832 117.1748 59.3971 29.6297 178.4581 50 Y 4.1946 7.8106 119.9980 60.6281 38.9532 176.7360 51 C 2.6063 7.8627 119.2775 59.7977 38.0770 175.6572 52 M 3.9920 8.1106 120.0132 58.1614 31.2384 178.5696 53 A 3.9452 7.9692 120.7518 54.6467 18.5669 179.0534 54 V 3.8374 7.1686 114.9373 64.7221 32.2242 176.5641 55 C 4.3945 7.9476 114.7213 57.7997 41.3590 174.0858 56 G 3.6276 7.4281 112.7113 45.6677 0.0000 173.1328 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 V 7.91 3.81 2.06 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 0.67 0.00 0.00 0.93 0.00 0.00 2 R 8.09 2.74 0.00 1.92 2.18 0.00 3.35 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 3 E 9.22 3.92 0.00 2.04 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 2.32 2.32 0.00 4 V 7.68 4.00 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 0.99 0.00 0.00 1.06 0.00 0.00 5 C 8.01 4.63 0.00 3.11 3.04 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 0.00 0.00 0.00 6 S 7.71 4.67 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.35 0.00 2.04 1.88 0.00 0.00 0.00 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 2.51 0.00 8 Q 8.32 4.02 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 9 A 7.67 3.09 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.05 4.53 0.00 1.83 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 2.24 2.34 0.00 11 T 8.65 4.18 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 12 G 8.44 4.32 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 0.00 13 P 0.00 4.44 0.00 2.18 2.18 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 14 C 7.75 4.56 0.00 2.89 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 15 R 8.19 4.34 0.00 1.73 1.88 0.00 3.16 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 16 A 8.02 4.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.95 4.87 0.00 1.18 1.72 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 18 I 8.41 4.26 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.99 0.00 0.00 19 S 8.80 4.25 0.00 3.85 3.74 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 0.00 0.00 0.00 20 R 8.40 4.95 0.00 0.85 1.75 0.00 3.48 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 21 W 9.50 5.60 0.00 3.56 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.21 5.50 0.00 3.05 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.95 4.40 0.00 3.00 3.21 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 0.00 0.00 0.00 24 D 7.62 4.52 0.00 2.20 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 0.00 0.00 0.00 25 V 8.40 3.69 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 26 T 7.96 4.07 4.40 0.00 0.00 0.00 0.00 0.00 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 27 E 8.24 3.96 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 28 G 9.26 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 6.65 4.56 0.00 1.78 1.88 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.38 7.81 30 C 8.70 4.98 0.00 2.92 3.31 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 31 A 8.67 5.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.22 0.00 1.38 0.49 0.00 3.59 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 33 F 8.16 4.73 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 4.93 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.96 4.67 0.00 2.45 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.30 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.39 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.31 5.01 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 39 G 9.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.99 3.98 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 0.00 0.00 0.00 41 N 7.98 4.96 0.00 2.86 2.77 0.00 0.00 5.93 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 42 R 8.50 3.88 0.00 1.93 1.94 0.00 3.18 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 43 N 8.06 4.58 0.00 2.90 2.84 0.00 0.00 6.89 7.70 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 44 N 6.50 4.90 0.00 2.61 2.53 0.00 0.00 7.10 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 45 F 9.19 4.97 0.00 3.29 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.50 4.58 0.00 2.91 2.89 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 47 T 7.83 4.85 4.19 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 0.00 0.00 1.28 0.00 0.00 48 E 7.56 2.92 0.00 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.47 0.00 49 E 7.78 3.80 0.00 2.15 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 0.00 2.31 2.36 0.00 50 Y 7.81 4.19 0.00 2.99 3.19 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 0.00 0.00 0.00 51 C 7.86 2.61 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.11 3.99 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 53 A 7.97 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.17 3.84 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 0.90 0.00 0.00 0.94 0.00 0.00 55 C 7.95 4.39 0.00 2.78 2.30 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 0.00 0.00 0.00 0.00 56 G 7.43 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 0.00 0.00 0.00