NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4651 8.2493 123.5820 51.9620 20.7610 178.7661 2 K 4.5136 9.0017 122.1107 54.1905 32.4623 177.0211 3 T 4.3676 9.2681 104.1066 61.0208 71.9722 171.5540 4 I 3.4744 7.8885 130.3894 60.2251 37.5377 172.2587 5 K 5.2353 9.4301 124.3365 54.5825 35.8530 175.4745 6 I 5.3967 8.6064 117.6839 58.5925 41.1467 174.4695 7 T 4.8492 8.1907 118.3647 61.7006 71.8879 175.0713 8 Q 3.7945 8.7804 123.6127 57.1163 29.9701 177.2658 9 T 3.3631 7.8939 112.8784 63.4276 67.2080 172.6149 10 R 4.5023 5.8400 121.7531 54.6463 32.8633 176.6102 11 S 4.2169 8.3978 114.0204 58.6994 62.9335 173.7525 12 A 4.7673 8.0646 126.6700 51.8762 18.7719 178.4373 13 I 3.8325 6.8596 122.1457 64.6803 38.1106 177.4783 14 G 3.9929 7.6659 112.7951 45.8151 0.0000 173.2529 15 R 4.7271 7.4842 116.3915 53.5125 33.1714 176.8226 16 L 4.0440 8.2749 120.0431 54.6788 42.5285 176.8204 17 P 4.2314 0.0000 0.0000 65.8736 31.3752 178.5387 18 K 4.2865 8.0468 113.5975 58.0416 32.1790 177.2111 19 H 4.8065 8.4094 116.4894 57.7898 29.7591 176.8194 20 K 3.5673 8.2559 118.0843 59.5698 32.0799 178.7683 21 A 4.1453 8.2025 121.0677 55.4335 18.2775 179.6230 22 T 3.8018 7.9417 107.6300 65.0215 68.3095 175.6777 23 L 3.8985 8.6777 124.1433 57.8786 41.9304 178.9306 24 L 4.0422 8.0874 120.1482 58.2464 41.9678 179.0688 25 G 4.0633 7.5674 104.1796 47.6067 0.0000 174.5862 26 L 4.3862 7.5110 119.0642 54.6519 42.2656 177.9789 27 G 3.8818 8.4548 106.4726 44.7647 0.0000 172.9366 28 L 4.0178 7.7417 119.0971 55.5497 40.7789 176.5155 29 R 4.0671 7.5274 123.9415 57.7937 30.9755 179.0163 30 R 4.2912 7.2955 116.1714 55.4319 31.5528 177.3990 31 I 4.0438 8.1887 111.0832 62.5529 37.7083 176.6667 32 G 4.1404 7.6847 108.3950 45.6200 0.0000 173.1080 33 H 4.0515 7.8606 119.8653 58.7310 29.8882 171.6305 34 T 4.0731 8.2495 121.4515 62.3967 68.7320 171.7457 35 V 4.4933 7.8299 123.8096 59.9193 35.5575 173.6002 36 E 4.9259 8.7337 122.9779 54.4479 30.4757 174.5181 37 R 4.6517 8.5544 130.0302 56.4504 32.7943 173.7271 38 E 4.7125 8.7544 118.0187 56.0767 29.2482 176.7568 39 D 4.6560 8.4869 125.5633 55.9860 43.0659 175.3439 40 T 3.9631 8.0141 114.8600 62.9884 68.9896 173.2634 41 P 4.2338 0.0000 0.0000 65.7374 31.3289 178.7024 42 A 4.0351 7.8802 119.0579 54.8067 18.5405 178.9706 43 I 3.8025 7.6764 115.2217 63.0624 38.2844 177.0325 44 R 4.3810 7.4857 118.5745 58.5035 30.4283 178.1640 45 G 3.6486 7.8241 105.4010 48.0308 0.0000 175.4389 46 M 4.0717 7.9923 119.5770 58.5592 32.2986 178.1471 47 I 3.7088 7.8411 119.1651 64.1998 37.2466 177.4431 48 N 4.1402 8.4045 117.1584 56.9615 38.6838 176.4730 49 A 4.0710 7.5862 120.3836 54.9634 18.6872 180.3366 50 V 4.6457 7.7968 110.1332 60.8289 33.1580 178.6363 51 S 4.3001 8.1489 115.7281 61.8941 62.4847 175.4671 52 F 4.2100 8.7330 116.7669 59.3779 37.6569 176.5117 53 M 3.4950 6.8031 119.9886 57.7246 31.8861 177.0358 54 V 4.9234 7.8228 110.8458 59.9497 33.7438 176.4998 55 K 4.3925 8.2961 121.7121 54.3873 33.7767 175.5219 56 V 4.2288 8.2774 126.2173 63.3338 32.6537 174.3793 57 E 4.8094 8.3467 120.3385 55.7001 34.5959 176.1032 58 E 4.2456 8.6804 120.8867 56.6526 30.2897 176.0302 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 A 8.25 4.47 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 2 K 9.00 4.51 0.00 1.95 0.99 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.27 4.37 4.23 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 1.24 0.00 0.00 4 I 7.89 3.47 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.97 0.00 0.00 5 K 9.43 5.24 0.00 1.58 1.63 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.34 7.81 6 I 8.61 5.40 1.85 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 1.22 2.06 0.90 0.00 0.00 7 T 8.19 4.85 4.21 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 1.22 0.00 0.00 8 Q 8.78 3.79 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.31 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 9 T 7.89 3.36 4.30 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 1.17 0.00 0.00 10 R 5.84 4.50 0.00 1.74 1.79 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 11 S 8.40 4.22 0.00 3.81 3.76 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 0.00 0.00 0.00 0.00 12 A 8.06 4.77 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 13 I 6.86 3.83 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.92 0.00 0.00 14 G 7.67 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.48 4.73 0.00 1.84 1.97 0.00 3.36 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 16 L 8.27 4.04 0.00 1.39 1.52 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.23 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 18 K 8.05 4.29 0.00 1.77 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.42 7.81 19 H 8.41 4.81 0.00 3.53 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.26 3.57 0.00 1.74 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.29 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.57 7.81 21 A 8.20 4.15 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 22 T 7.94 3.80 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 1.29 0.00 0.00 23 L 8.68 3.90 0.00 1.85 1.84 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.09 4.04 0.00 1.81 1.94 0.92 0.90 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 25 G 7.57 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 0.00 0.00 0.00 26 L 7.51 4.39 0.00 1.79 1.73 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.45 3.88 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 0.00 0.00 0.00 28 L 7.74 4.02 0.00 1.66 1.89 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.53 4.07 0.00 1.52 1.72 0.00 3.12 0.00 0.00 3.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.27 0.00 30 R 7.30 4.29 0.00 1.91 1.86 0.00 3.14 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 31 I 8.19 4.04 1.85 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 1.34 0.51 0.89 0.00 0.00 32 G 7.68 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 0.00 0.00 0.00 33 H 7.86 4.05 0.00 3.23 3.35 0.00 6.10 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.25 4.07 4.20 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 1.21 0.00 0.00 35 V 7.83 4.49 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 36 E 8.73 4.93 0.00 1.96 1.86 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 2.18 2.26 0.00 37 R 8.55 4.65 0.00 1.82 1.60 0.00 3.33 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 38 E 8.75 4.71 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 2.22 2.32 0.00 39 D 8.49 4.66 0.00 2.57 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 40 T 8.01 3.96 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 1.21 0.00 0.00 41 P 0.00 4.23 0.00 2.15 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 7.88 4.04 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 43 I 7.68 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.96 0.00 0.00 44 R 7.49 4.38 0.00 2.08 2.08 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 45 G 7.82 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 0.00 0.00 0.00 46 M 7.99 4.07 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.65 0.00 47 I 7.84 3.71 2.07 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 1.72 0.99 0.91 0.00 0.00 48 N 8.40 4.14 0.00 2.81 3.04 0.00 0.00 7.22 7.59 0.00 0.00 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 7.59 4.07 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 50 V 7.80 4.65 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 0.91 0.00 0.00 1.02 0.00 0.00 51 S 8.15 4.30 0.00 4.11 4.30 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 52 F 8.73 4.21 0.00 3.22 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 53 M 6.80 3.50 0.00 1.89 1.46 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.01 0.00 54 V 7.82 4.92 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 0.71 0.00 0.00 0.98 0.00 0.00 55 K 8.30 4.39 0.00 1.74 1.61 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 V 8.28 4.23 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 0.83 0.00 0.00 0.93 0.00 0.00 57 E 8.35 4.81 0.00 2.10 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 2.17 2.37 0.00 58 E 8.68 4.25 0.00 1.88 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 0.00 2.19 2.31 0.00