NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3170 8.3001 120.3509 55.5345 34.0315 175.5091 2 A 4.3953 8.0949 126.9272 49.7623 17.6798 174.4606 3 T 5.2928 7.7805 114.6001 58.5712 74.8921 173.2935 4 I 3.5097 8.6021 120.2632 63.9868 37.2884 177.5540 5 K 3.9238 7.7469 118.4312 59.5708 31.8306 178.6890 6 D 4.3542 7.9800 118.1047 57.5000 40.9468 178.8344 7 V 3.5035 7.7395 118.4023 66.1080 31.3356 177.7419 8 A 3.8940 8.1518 120.4840 55.1459 17.9446 179.8584 9 K 4.0826 7.3773 116.1429 59.1671 32.2730 179.2847 10 R 3.9741 7.9223 117.4874 59.2008 29.9859 178.2522 11 A 4.1063 8.1497 120.1346 55.1934 18.6110 176.7639 12 N 4.8279 8.4709 114.7921 53.6482 45.6792 174.9344 13 V 4.2519 7.1023 115.3479 62.3078 36.0915 175.5745 14 S 4.7243 7.4467 112.8857 56.0761 66.5498 175.2881 15 T 3.8149 8.3596 112.0934 64.9995 67.8361 176.1400 16 T 3.6950 7.8779 112.4428 65.3267 68.2898 175.9056 17 T 3.6034 7.5184 118.5787 66.0280 68.3988 176.6574 18 V 3.2647 7.4437 119.3038 66.0096 31.5631 177.9232 19 S 4.0236 8.1534 115.2157 61.9497 62.6627 176.3305 20 H 4.1824 8.2192 119.0080 58.9782 28.2279 177.9562 21 V 3.3977 7.1406 118.2156 65.9551 31.4686 177.7851 22 I 3.9966 7.3988 118.3177 64.6369 37.1622 177.9490 23 N 4.3436 8.3693 116.4554 54.0240 39.6986 174.1514 24 K 3.8412 7.8237 119.9381 57.8338 30.0140 173.9628 25 T 4.3431 7.0030 106.8311 63.0914 71.5961 175.7885 26 R 4.0848 7.5724 129.5721 53.8345 28.9137 174.2063 27 F 3.8893 8.5192 122.2955 58.4510 39.2367 175.4308 28 V 3.9821 7.6098 121.4814 59.8307 33.0379 176.4153 29 A 4.2813 8.0594 122.0928 52.0377 20.1102 178.2749 30 E 3.8971 8.7372 120.4956 59.2592 29.3694 179.5170 31 E 3.8934 8.1136 119.0240 59.7130 29.7477 178.8943 32 T 3.7609 7.7364 115.0997 66.4093 68.7076 176.3166 33 R 3.6458 7.9100 120.6056 59.6818 30.0522 178.3027 34 N 4.5077 8.5929 116.2182 56.2485 38.4638 177.1733 35 A 3.9819 8.2095 122.4287 55.1582 18.3768 179.7805 36 V 3.2930 7.7372 116.5919 66.0093 31.3918 178.2497 37 W 4.4806 7.6198 117.9103 59.7011 28.8514 178.4516 38 A 4.0759 8.6255 120.8597 55.2087 17.8580 179.3101 39 A 3.9497 8.2828 119.5360 55.5576 18.4299 179.7072 40 I 3.6263 7.9270 118.1785 64.5528 37.2104 178.5353 41 K 4.1119 7.9376 120.0259 59.1956 31.9161 178.6532 42 E 3.9563 8.4207 118.1899 59.6433 29.3984 178.1622 43 L 4.1515 8.0894 115.0260 54.7456 41.8424 176.3880 44 H 4.2058 7.9116 115.0497 56.6718 26.7793 174.4665 45 Y 4.1956 7.7486 117.8777 58.2114 38.9765 175.5358 46 S 4.2430 8.1214 122.4586 55.6600 62.8964 172.5663 47 P 4.2041 0.0000 0.0000 63.0113 29.0704 176.3365 48 S 3.6128 7.6806 118.1688 59.5329 59.7738 174.1516 49 A 4.4894 7.4012 120.9639 51.2971 20.4691 178.0303 50 V 3.6817 8.1539 121.3645 64.6089 31.4513 178.1081 51 A 4.0871 6.8299 120.8325 53.3415 19.4854 178.8453 52 R 4.2024 6.9517 119.8012 55.6138 34.4555 178.1667 53 S 4.5509 8.4640 103.6977 57.3192 63.2830 174.2468 54 L 4.2979 8.2423 127.2531 55.7490 43.3921 176.5638 55 K 3.6682 8.5806 118.5983 57.0537 31.2415 175.4317 56 V 4.0474 8.1381 109.2550 61.8291 32.6135 174.6317 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 M 8.30 4.32 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 A 8.09 4.40 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 5.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 4 I 8.60 3.51 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.92 0.00 0.00 5 K 7.75 3.92 0.00 1.90 1.81 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 6 D 7.98 4.35 0.00 2.84 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 7 V 7.74 3.50 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 8 A 8.15 3.89 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.38 4.08 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.45 7.81 10 R 7.92 3.97 0.00 1.77 2.05 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 11 A 8.15 4.11 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 12 N 8.47 4.83 0.00 2.53 2.50 0.00 0.00 6.94 8.14 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 13 V 7.10 4.25 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 0.90 0.00 0.00 0.90 0.00 0.00 14 S 7.45 4.72 0.00 3.83 3.67 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 15 T 8.36 3.81 4.16 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 0.00 0.00 1.15 0.00 0.00 16 T 7.88 3.70 4.11 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 1.17 0.00 0.00 17 T 7.52 3.60 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 1.08 0.00 0.00 18 V 7.44 3.26 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 0.80 0.00 0.00 0.72 0.00 0.00 19 S 8.15 4.02 0.00 3.94 3.87 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 0.00 0.00 0.00 20 H 8.22 4.18 0.00 3.24 3.47 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.14 3.40 1.78 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 0.12 0.00 0.00 0.70 0.00 0.00 22 I 7.40 4.00 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.43 1.02 0.00 0.00 23 N 8.37 4.34 0.00 2.73 2.92 0.00 0.00 7.30 6.25 0.00 0.00 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 K 7.82 3.84 0.00 2.05 1.91 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 25 T 7.00 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 R 7.57 4.08 0.00 1.58 1.84 0.00 3.09 0.00 0.00 2.67 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 27 F 8.52 3.89 0.00 3.03 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 28 V 7.61 3.98 1.98 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 0.86 0.00 0.00 0.71 0.00 0.00 29 A 8.06 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 3.90 0.00 2.02 2.05 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 2.48 2.39 0.00 31 E 8.11 3.89 0.00 2.03 1.93 0.00 0.00 0.00 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 2.40 0.00 32 T 7.74 3.76 4.13 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 1.11 0.00 0.00 33 R 7.91 3.65 0.00 1.77 2.05 0.00 3.10 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 34 N 8.59 4.51 0.00 2.95 2.90 0.00 0.00 7.02 7.45 0.00 0.00 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 A 8.21 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.29 1.65 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 0.34 0.00 0.00 0.70 0.00 0.00 37 W 7.62 4.48 0.00 3.41 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 38 A 8.63 4.08 1.47 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 0.00 0.00 39 A 8.28 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.63 2.18 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 1.09 0.00 0.00 41 K 7.94 4.11 0.00 1.90 1.98 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.55 7.81 42 E 8.42 3.96 0.00 2.14 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 2.37 2.44 0.00 43 L 8.09 4.15 0.00 1.79 1.73 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.91 4.21 0.00 3.32 3.35 0.00 5.70 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.75 4.20 0.00 2.92 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 46 S 8.12 4.24 0.00 3.72 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 48 S 7.68 3.61 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.40 4.49 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 50 V 8.15 3.68 2.05 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 0.80 0.00 0.00 0.91 0.00 0.00 51 A 6.83 4.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.95 4.20 0.00 1.71 1.50 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 53 S 8.46 4.55 0.00 3.96 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 54 L 8.24 4.30 0.00 1.72 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.58 3.67 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.50 7.81 56 V 8.14 4.05 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 0.82 0.00 0.00 0.93 0.00 0.00