NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 5.0896 8.4898 122.2841 52.2385 19.7375 175.5503 2 I 4.3633 8.0978 114.2578 59.6657 41.3854 173.5893 3 Q 4.5900 8.1798 122.4721 55.5406 31.4958 175.3748 4 C 4.4971 8.1409 111.3807 54.2864 42.0201 172.1189 5 P 4.1175 0.0000 0.0000 62.9761 31.4618 175.6192 6 D 4.7909 8.4155 115.1614 55.0958 38.2596 173.7563 7 S 3.9473 6.8436 110.8035 56.6538 65.3418 173.6394 8 Q 4.2079 7.0418 121.9463 55.3093 29.2220 174.7347 9 F 4.9911 6.8255 112.4250 55.1277 41.0911 172.7044 10 E 4.9170 8.6787 119.3067 54.7615 33.1235 176.2105 11 C 5.1821 8.4597 115.5274 54.9712 40.6907 173.2720 12 P 5.0440 0.0000 0.0000 61.7748 33.6405 176.1421 13 D 4.7646 8.8457 117.3444 55.4900 40.6292 177.3089 14 F 4.3081 8.2123 118.5545 59.1322 39.9911 176.0283 15 S 4.8283 7.9050 115.4562 57.2900 67.6178 174.1521 16 T 4.3837 8.7788 118.4360 61.4837 69.2598 172.8011 17 C 4.9964 8.7500 125.1876 56.3778 45.2526 171.4883 18 C 4.8358 9.2194 127.1854 57.8096 35.4155 171.9876 19 V 4.6768 7.8737 111.5570 59.7583 35.1580 174.2982 20 M 4.7429 7.9492 120.0682 53.2848 35.1292 176.5309 21 V 3.6998 8.1702 118.6515 65.8637 32.0453 176.7041 22 D 4.3877 8.2766 118.7107 58.5408 41.0322 175.7771 23 G 3.2644 7.3427 106.8387 44.9991 0.0000 172.7101 24 S 4.9019 7.8399 114.3616 55.7198 65.5434 173.0309 25 W 4.8312 8.8829 124.2582 56.1124 30.5426 175.8069 26 G 4.0994 8.8100 106.8258 46.1866 0.0000 172.0343 27 C 5.2604 9.0003 119.8416 56.3383 42.2647 172.5977 28 C 4.8940 8.8800 125.1269 56.6557 33.6893 171.2235 29 P 4.7435 0.0000 0.0000 62.2104 31.4507 176.3640 30 M 4.1302 8.6995 123.8749 54.5930 32.5552 174.3832 31 P 4.3291 0.0000 0.0000 62.7562 31.9199 176.1637 32 Q 4.1408 8.6074 123.5296 55.9810 28.9880 174.8998 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 8.49 5.09 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 2 I 8.10 4.36 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.92 0.00 0.00 3 Q 8.18 4.59 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 C 8.14 4.50 0.00 2.67 3.02 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 0.00 0.00 0.00 0.00 5 P 0.00 4.12 0.00 2.09 1.94 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 6 D 8.42 4.79 0.00 2.60 2.77 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 7 S 6.84 3.95 0.00 2.72 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 8 Q 7.04 4.21 0.00 1.55 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 9 F 6.83 4.99 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 10 E 8.68 4.92 0.00 1.88 1.94 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 2.20 2.32 0.00 11 C 8.46 5.18 0.00 2.97 3.20 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 12 P 0.00 5.04 0.00 2.25 2.26 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 13 D 8.85 4.76 0.00 2.76 2.77 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 14 F 8.21 4.31 0.00 2.96 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 15 S 7.90 4.83 0.00 3.77 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 16 T 8.78 4.38 4.28 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 1.29 0.00 0.00 17 C 8.75 5.00 0.00 3.18 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 18 C 9.22 4.84 0.00 3.00 2.68 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 0.00 0.00 0.00 0.00 19 V 7.87 4.68 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.96 0.00 0.00 0.63 0.00 0.00 20 M 7.95 4.74 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 21 V 8.17 3.70 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 0.82 0.00 0.00 0.90 0.00 0.00 22 D 8.28 4.39 0.00 2.67 2.69 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 0.00 0.00 0.00 23 G 7.34 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.90 0.00 3.89 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 25 W 8.88 4.83 0.00 3.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 4.10 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 0.00 0.00 0.00 27 C 9.00 5.26 0.00 2.91 3.13 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 0.00 28 C 8.88 4.89 0.00 3.00 2.77 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 29 P 0.00 4.74 0.00 1.99 2.01 0.00 3.80 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 30 M 8.70 4.13 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 31 P 0.00 4.33 0.00 2.17 2.07 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 32 Q 8.61 4.14 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00