NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9842 8.3544 109.7388 44.5590 0.0000 174.8329 2 S 4.2753 7.5417 113.7235 57.3415 64.8738 172.9121 3 H 4.2301 9.5734 119.2496 55.6446 32.1449 173.1213 4 P 4.4616 0.0000 0.0000 63.2600 32.2107 175.1336 5 M 5.1666 8.4731 123.0424 53.2928 34.9535 175.4125 6 C 4.3335 8.8491 122.2420 59.1756 32.4772 175.0734 7 K 3.9618 8.6900 126.0232 59.4835 31.9022 178.2411 8 E 4.1929 8.0892 116.6814 58.1750 30.1488 176.3965 9 H 4.8891 7.4795 115.5663 52.9314 28.9222 173.5678 10 E 4.0505 8.4628 121.8253 58.8842 29.7676 177.8890 11 D 4.7475 8.0510 115.6905 54.0790 41.6574 175.4718 12 E 4.7505 8.5480 120.7398 54.3809 31.8340 175.7011 13 K 4.5457 8.5429 123.2757 55.9329 33.2731 176.9063 14 I 4.1002 8.6823 126.0666 61.9633 36.9839 175.8294 15 N 5.2258 9.4138 122.0107 52.4236 40.3400 173.5972 16 I 4.8122 7.7447 112.5737 59.6371 42.0964 172.9706 17 Y 5.0066 9.2455 123.6171 55.8338 41.5390 173.8254 18 C 4.2707 8.5555 128.0505 58.7379 31.8914 174.0218 19 L 4.0636 8.6478 127.8927 58.1227 41.4659 179.2475 20 T 3.9652 8.0674 114.7336 66.6080 68.4701 175.0653 21 C 4.2912 7.8754 115.3086 59.0738 29.3184 173.0224 22 E 3.6750 7.7670 117.9969 55.8061 27.1634 174.7300 23 V 4.6837 6.1909 109.8796 58.8963 36.7734 174.5407 24 P 4.8622 0.0000 0.0000 63.9442 32.4198 175.7800 25 T 4.6128 8.7102 115.2296 61.8979 70.9083 171.7327 26 C 5.4314 8.5577 113.8748 55.9364 32.7322 174.8981 27 S 4.1734 8.8172 115.9612 61.7512 62.3813 176.6643 28 M 4.1189 7.9651 122.0922 58.3503 31.7018 178.1802 29 C 4.2824 7.9824 116.8433 62.4102 28.2365 176.0388 30 K 3.9469 7.8090 121.0115 59.2442 31.7428 179.0086 31 V 3.2884 7.8410 117.7650 65.3529 31.5323 177.1592 32 F 5.0351 8.2271 114.0892 58.5146 41.7256 176.2277 33 G 4.3908 8.0772 109.3120 44.7504 0.0000 174.8433 34 I 3.8062 8.4747 113.9142 63.3574 38.0486 176.5561 35 H 4.8123 8.0697 118.2881 55.4040 28.7879 176.5234 36 K 4.5673 8.1237 122.6558 58.9439 31.9022 177.7099 37 A 4.2546 7.8065 118.3861 53.2243 18.9711 176.8106 38 C 4.5162 7.7504 113.7893 58.8852 29.7464 172.8350 39 E 4.3853 9.0628 122.5299 55.8476 30.3435 175.7437 40 V 5.1553 8.3298 118.4109 59.8128 36.2119 174.2792 41 A 4.8092 8.9203 122.3343 49.8642 22.8517 174.1956 42 P 4.6611 0.0000 0.0000 62.5198 31.7873 176.9642 43 L 4.0813 8.0943 122.4122 56.6327 42.4090 177.4660 44 Q 4.2223 8.2112 121.2028 56.0906 28.1685 172.9474 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 G 8.35 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 2 S 7.54 4.28 0.00 3.86 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.57 4.23 0.00 3.23 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.46 0.00 2.15 1.99 0.00 3.39 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 5 M 8.47 5.17 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 6 C 8.85 4.33 0.00 3.00 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 7 K 8.69 3.96 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.42 7.81 8 E 8.09 4.19 0.00 1.88 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 2.29 2.26 0.00 9 H 7.48 4.89 0.00 3.34 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.46 4.05 0.00 1.96 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 2.33 2.35 0.00 11 D 8.05 4.75 0.00 2.67 2.70 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 0.00 0.00 0.00 0.00 12 E 8.55 4.75 0.00 1.99 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 2.28 2.41 0.00 13 K 8.54 4.55 0.00 1.55 1.54 0.00 1.62 0.00 0.00 1.26 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.38 7.81 14 I 8.68 4.10 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.51 1.05 0.00 0.00 15 N 9.41 5.23 0.00 2.73 2.97 0.00 0.00 6.02 7.29 0.00 0.00 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 I 7.74 4.81 1.99 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 1.21 1.28 0.92 0.00 0.00 17 Y 9.25 5.01 0.00 3.00 2.84 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 18 C 8.56 4.27 0.00 2.63 2.51 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 19 L 8.65 4.06 0.00 1.70 1.76 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.07 3.97 4.22 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 1.20 0.00 0.00 21 C 7.88 4.29 0.00 2.87 2.95 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 22 E 7.77 3.67 0.00 2.10 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 2.26 2.40 0.00 23 V 6.19 4.68 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 0.81 0.00 0.00 24 P 0.00 4.86 0.00 2.15 2.21 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 25 T 8.71 4.61 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 1.01 0.00 0.00 26 C 8.56 5.43 0.00 3.29 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 27 S 8.82 4.17 0.00 4.06 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 0.00 28 M 7.97 4.12 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 29 C 7.98 4.28 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.95 0.00 1.84 1.92 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 31 V 7.84 3.29 1.51 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 -0.37 0.00 0.00 0.80 0.00 0.00 32 F 8.23 5.04 0.00 3.20 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 33 G 8.08 4.39 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 0.00 34 I 8.47 3.81 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.31 0.89 0.00 0.00 35 H 8.07 4.81 0.00 3.21 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.12 4.57 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 37 A 7.81 4.25 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 38 C 7.75 4.52 0.00 2.96 2.86 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 0.00 0.00 0.00 39 E 9.06 4.39 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 40 V 8.33 5.16 2.12 0.00 0.00 0.00 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 0.91 0.00 0.00 41 A 8.92 4.81 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 42 P 0.00 4.66 0.00 2.13 2.00 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 43 L 8.09 4.08 0.00 1.56 1.74 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.21 4.22 0.00 2.09 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00