NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4684 8.2893 120.3265 54.7129 31.5290 175.1505 2 P 4.5002 0.0000 0.0000 62.3432 28.7238 173.0485 3 R 4.6624 8.0486 123.7347 56.1818 32.5022 176.7686 4 L 4.8079 8.2820 126.3095 52.8079 45.0419 175.5561 5 K 4.1716 8.7799 127.3415 56.7937 31.8927 174.5997 6 V 4.7064 8.2114 128.0853 60.8077 31.8767 172.6227 7 K 5.3018 8.8060 125.6788 55.2826 34.4534 175.9300 8 L 4.0518 8.9067 126.2767 54.7039 40.6688 178.2982 9 V 3.7040 9.6282 106.4435 61.2808 30.0649 171.9603 10 K 4.1131 7.4892 121.2905 55.6861 34.5126 177.2927 11 S 4.1946 8.7893 123.4700 58.4090 62.0031 170.9760 12 P 4.3637 0.0000 0.0000 62.5370 32.1039 175.1746 13 I 3.4191 7.7487 116.8891 61.5275 38.0552 175.0543 14 G 3.7485 8.6569 114.4732 45.8828 0.0000 173.6758 15 Y 4.9841 7.0693 115.8321 55.7781 39.3733 174.1868 16 P 4.4795 0.0000 0.0000 62.7417 33.3822 176.7663 17 K 3.9006 8.9930 120.3502 60.3671 31.9067 179.3087 18 D 4.3577 7.4266 117.2327 57.7744 42.3997 178.0404 19 Q 3.9517 8.5142 118.2893 58.3454 28.4514 178.8148 20 K 3.9413 8.3419 118.2425 60.1098 32.6397 178.8654 21 A 3.9213 8.2038 120.3353 55.2938 17.9109 179.2977 22 A 3.9663 8.1525 119.3519 55.4343 18.5312 179.9357 23 L 3.7328 8.2480 117.9020 58.3676 40.2192 179.6588 24 K 3.9220 7.8260 119.3456 59.4351 31.9362 178.5664 25 A 4.2955 7.2775 116.8674 53.1080 18.2060 178.7102 26 L 4.3086 7.5148 118.6184 58.3308 42.2965 177.5979 27 G 3.8018 6.8845 106.4705 45.4577 0.0000 173.3757 28 L 4.7619 7.9321 119.7167 52.8309 44.2191 177.0349 29 R 4.4944 8.5368 118.6648 55.8276 33.9483 174.6753 30 R 4.2905 7.7752 119.6240 53.9809 30.4278 174.0826 31 L 4.1495 8.3052 126.6671 58.6202 41.1424 177.7874 32 Q 4.1692 8.7741 125.9940 56.1369 25.6268 173.5509 33 Q 4.6728 7.9068 119.1679 53.6822 31.4501 175.5978 34 E 4.7268 8.3880 126.2553 55.1789 29.3364 176.8425 35 R 3.9065 8.1183 121.4524 58.3776 31.2384 175.2467 36 V 5.0391 8.1021 119.6288 60.0596 33.1305 175.7556 37 L 4.6692 7.9951 123.1572 53.5307 46.2622 174.7786 38 E 4.4647 8.8232 120.2518 57.2274 30.6733 177.1625 39 D 4.9375 8.1845 119.8492 52.3909 42.4718 175.3454 40 T 4.7245 7.8929 112.3783 58.3472 72.1629 173.9699 41 P 4.1345 0.0000 0.0000 65.9656 31.1405 178.6844 42 A 4.1124 7.9098 117.2612 54.8498 18.4928 179.0231 43 I 3.9813 8.3171 118.6870 63.9081 37.3731 178.4641 44 R 4.0347 8.0731 118.8504 59.1225 29.5100 178.8464 45 G 3.6097 7.7533 104.1032 48.0237 0.0000 175.0342 46 N 4.2806 8.2467 119.2560 55.9463 38.3387 177.1807 47 V 3.6197 7.2376 117.9378 66.1830 31.6858 176.9640 48 E 4.0543 7.8231 117.4082 60.2490 29.6077 178.0525 49 K 3.9731 8.0010 119.0591 59.2696 31.9463 178.3329 50 V 3.8505 7.7316 104.8271 62.1908 31.5050 177.8117 51 A 4.1460 8.5249 122.8088 54.2619 18.1683 178.5947 52 H 4.8606 8.0380 110.1831 55.5634 29.2773 175.9680 53 L 4.6866 8.0648 119.9543 56.1688 41.5391 175.3651 54 V 5.4553 7.7219 111.6609 59.6344 36.2788 174.2185 55 R 4.7871 9.2861 120.2758 55.1325 33.7732 174.2998 56 V 5.3548 8.0249 115.7414 59.2520 35.6056 176.1067 57 E 4.8000 8.7015 121.3474 54.7911 31.7632 172.9901 58 V 3.6517 8.0120 120.1209 63.0183 32.3388 176.0573 59 V 4.3626 8.2470 120.5832 59.8475 33.5115 175.3593 60 E 4.1675 8.4950 123.2800 56.3299 29.5181 176.7676 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 8.29 4.47 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.50 0.00 2.19 2.22 0.00 3.68 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 2.07 2.06 0.00 3 R 8.05 4.66 0.00 1.96 1.90 0.00 3.12 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 4 L 8.28 4.81 0.00 1.88 1.59 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.78 4.17 0.00 2.03 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.44 7.81 6 V 8.21 4.71 2.35 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 0.93 0.00 0.00 0.99 0.00 0.00 7 K 8.81 5.30 0.00 1.89 2.00 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.20 7.81 8 L 8.91 4.05 0.00 1.73 1.71 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.63 3.70 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 0.68 0.00 0.00 0.93 0.00 0.00 10 K 7.49 4.11 0.00 1.72 1.51 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 11 S 8.79 4.19 0.00 3.82 3.82 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 12 P 0.00 4.36 0.00 2.21 2.05 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 13 I 7.75 3.42 1.79 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 1.29 0.76 0.87 0.00 0.00 14 G 8.66 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.07 4.98 0.00 3.04 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 16 P 0.00 4.48 0.00 2.27 2.20 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 17 K 8.99 3.90 0.00 1.82 1.85 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.46 7.81 18 D 7.43 4.36 0.00 2.73 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 19 Q 8.51 3.95 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.49 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 20 K 8.34 3.94 0.00 1.94 1.90 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.51 1.57 7.81 21 A 8.20 3.92 1.34 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 0.00 0.00 0.00 22 A 8.15 3.97 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 23 L 8.25 3.73 0.00 1.88 1.96 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.83 3.92 0.00 1.96 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.71 7.81 25 A 7.28 4.30 1.27 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 0.00 0.00 0.00 26 L 7.51 4.31 0.00 1.76 1.73 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 G 6.88 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 28 L 7.93 4.76 0.00 1.59 1.56 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.54 4.49 0.00 1.72 1.88 0.00 3.22 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 30 R 7.78 4.29 0.00 1.78 1.80 0.00 3.36 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 31 L 8.31 4.15 0.00 1.66 1.67 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.77 4.17 0.00 2.08 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 33 Q 7.91 4.67 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.12 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 34 E 8.39 4.73 0.00 2.01 2.01 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 2.24 2.14 0.00 35 R 8.12 3.91 0.00 1.96 1.92 0.00 3.21 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 36 V 8.10 5.04 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 0.71 0.00 0.00 0.93 0.00 0.00 37 L 8.00 4.67 0.00 1.50 1.54 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.82 4.46 0.00 1.98 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 2.29 2.35 0.00 39 D 8.18 4.94 0.00 2.52 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.72 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 4.13 0.00 2.18 2.15 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 2.20 0.00 42 A 7.91 4.11 1.30 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 0.00 0.00 43 I 8.32 3.98 2.09 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 1.52 0.55 0.93 0.00 0.00 44 R 8.07 4.03 0.00 2.10 1.99 0.00 3.19 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 45 G 7.75 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 0.00 0.00 0.00 46 N 8.25 4.28 0.00 2.85 2.92 0.00 0.00 6.61 7.68 0.00 0.00 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 V 7.24 3.62 2.28 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 0.79 0.00 0.00 0.97 0.00 0.00 48 E 7.82 4.05 0.00 2.02 2.13 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 2.33 2.35 0.00 49 K 8.00 3.97 0.00 1.91 1.86 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 50 V 7.73 3.85 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 0.73 0.00 0.00 1.02 0.00 0.00 51 A 8.52 4.15 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 52 H 8.04 4.86 0.00 3.35 3.43 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.06 4.69 0.00 1.54 1.65 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.72 5.46 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 0.82 0.00 0.00 0.97 0.00 0.00 55 R 9.29 4.79 0.00 1.82 1.69 0.00 3.08 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 56 V 8.02 5.35 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 0.92 0.00 0.00 0.93 0.00 0.00 57 E 8.70 4.80 0.00 1.80 1.84 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 2.21 2.28 0.00 58 V 8.01 3.65 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 0.99 0.00 0.00 0.93 0.00 0.00 59 V 8.25 4.36 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 0.96 0.00 0.00 60 E 8.49 4.17 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00