NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5015 8.1476 120.3167 53.8601 34.3590 174.2430 2 V 4.5298 7.1692 121.0437 59.9965 35.4316 174.0800 3 Y 4.7372 9.3238 120.1173 56.5426 42.8087 175.4496 4 V 4.4413 8.5418 123.7178 60.5245 33.4136 175.7892 5 C 4.6030 8.5665 133.5285 58.5295 28.4212 174.1040 6 H 4.7358 7.5530 123.2927 55.1977 29.1795 173.2950 7 F 4.4789 8.0025 123.8539 58.3282 40.1909 175.0598 8 E 3.8869 6.8842 117.4261 57.0759 28.6354 176.2084 9 N 4.7745 7.9591 118.0001 54.7486 45.7800 174.3118 10 C 4.6085 8.4240 117.4448 59.7489 32.8733 172.1442 11 G 4.3075 7.9151 107.3953 45.3397 0.0000 173.1520 12 R 4.0380 7.4883 119.7645 55.0054 31.4006 175.7247 13 S 4.8070 8.0879 118.7250 57.2183 63.8971 173.0057 14 F 5.2222 9.1366 123.6529 56.0301 43.6105 174.5291 15 N 5.1914 9.1968 117.6599 52.3286 39.4024 173.7756 16 D 4.8855 7.8765 114.3565 51.1561 42.1120 176.3865 17 R 3.1321 8.2781 120.4948 59.2423 29.8844 179.1936 18 R 3.7578 7.7635 117.9276 59.4444 29.9943 178.5217 19 K 3.6126 7.5506 118.2172 59.0319 31.6474 179.0611 20 L 3.5942 7.0721 119.3608 57.7447 42.3418 177.9691 21 N 4.3522 8.2764 116.0699 55.5418 38.9432 175.9614 22 R 4.2567 7.6328 116.8456 58.2515 30.4329 177.9578 23 H 4.1628 8.1108 119.1298 58.7160 29.6991 176.8235 24 K 3.6975 8.2299 121.1886 59.6230 31.6963 178.3476 25 K 3.8234 7.6024 117.1526 59.3217 31.7307 178.1931 26 I 4.0135 7.5559 116.5370 62.2052 37.8689 175.4565 27 H 4.8237 7.9600 115.4807 56.3384 29.8378 172.8978 28 T 4.4199 7.4921 115.6524 62.5414 70.5748 174.5927 29 R 4.1567 8.6317 124.6551 56.9092 31.0263 175.5534 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 8.15 4.50 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 V 7.17 4.53 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 0.57 0.00 0.00 0.94 0.00 0.00 3 Y 9.32 4.74 0.00 3.14 2.99 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 4 V 8.54 4.44 2.10 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 0.68 0.00 0.00 0.89 0.00 0.00 5 C 8.57 4.60 0.00 3.29 2.94 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 0.00 0.00 0.00 6 H 7.55 4.74 0.00 3.16 3.25 0.00 5.82 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.00 4.48 0.00 3.04 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 8 E 6.88 3.89 0.00 1.18 1.64 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 2.02 1.65 0.00 9 N 7.96 4.77 0.00 2.64 2.91 0.00 0.00 7.16 7.03 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 10 C 8.42 4.61 0.00 3.28 3.25 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 11 G 7.92 4.31 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 0.00 12 R 7.49 4.04 0.00 1.39 1.07 0.00 3.24 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 13 S 8.09 4.81 0.00 3.72 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 5.22 0.00 3.20 2.82 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 15 N 9.20 5.19 0.00 2.72 2.86 0.00 0.00 7.22 8.51 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 16 D 7.88 4.89 0.00 2.81 2.76 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 17 R 8.28 3.13 0.00 1.61 1.78 0.00 3.05 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.37 0.00 18 R 7.76 3.76 0.00 1.78 2.01 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 19 K 7.55 3.61 0.00 1.76 0.83 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.33 7.81 20 L 7.07 3.59 0.00 1.62 1.63 1.14 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.28 4.35 0.00 2.70 2.80 0.00 0.00 7.12 7.39 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 22 R 7.63 4.26 0.00 2.04 2.04 0.00 2.79 0.00 0.00 2.98 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 23 H 8.11 4.16 0.00 3.11 3.34 0.00 5.80 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 24 K 8.23 3.70 0.00 1.99 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 25 K 7.60 3.82 0.00 1.95 1.79 0.00 1.84 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 26 I 7.56 4.01 1.71 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 1.45 0.68 0.40 0.00 0.00 27 H 7.96 4.82 0.00 2.90 2.60 0.00 5.66 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.49 4.42 4.34 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 1.18 0.00 0.00 29 R 8.63 4.16 0.00 1.92 1.88 0.00 3.43 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00