NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2172 8.3049 120.3272 54.1099 34.1983 172.1909 2 Q 3.2960 7.9514 130.9647 53.5334 26.5260 171.4057 3 K 4.4205 9.2770 124.2026 55.1754 34.9644 176.7182 4 R 4.4231 8.4140 123.4620 54.7597 29.2774 175.1691 5 E 4.7157 8.2228 122.4242 54.3140 29.6221 176.1502 6 L 4.3626 7.8018 120.8784 53.1014 40.8955 174.4149 7 Y 4.6562 7.6221 119.6982 54.8700 39.7960 176.6701 8 E 4.3677 8.5837 122.0631 55.4199 31.3439 175.3130 9 I 4.6295 7.8863 110.4030 59.2165 40.4011 175.0905 10 A 4.5273 8.4598 125.5238 50.3162 18.6706 174.0909 11 D 4.7754 8.1771 119.5980 52.2516 43.0892 176.5325 12 G 3.6196 8.5539 115.0910 45.3831 0.0000 173.3732 13 K 4.0616 8.3618 128.1143 56.3361 30.0595 175.1994 14 L 4.3329 7.9725 123.1970 52.7622 40.8510 176.3246 15 V 4.2208 7.8230 122.2356 60.6564 32.5968 175.8197 16 R 4.2005 8.3408 126.7545 55.1107 28.1272 176.8000 17 K 4.0350 8.1743 123.2645 57.4104 33.3913 175.4531 18 H 3.6897 8.6703 115.7198 56.7007 25.2059 176.7573 19 R 4.0227 7.6661 118.8864 55.7655 29.8715 175.7484 20 F 4.3542 8.6167 124.5751 56.8139 40.1559 174.4982 21 C 4.1139 8.1276 123.5471 58.1361 31.5301 171.9169 22 P 4.1151 0.0000 0.0000 65.9248 31.0729 177.6935 23 R 4.1282 7.6524 114.9767 58.3484 30.6491 177.3910 24 C 4.3313 7.9369 113.6054 59.8300 28.4659 175.1893 25 G 3.8231 7.8641 108.8681 48.8998 0.0000 173.3073 26 P 4.2497 0.0000 0.0000 63.1363 29.5539 175.0192 27 G 3.7650 8.1322 113.1030 45.2808 0.0000 171.9848 28 V 4.3117 8.3521 119.6202 60.4381 32.5685 174.6992 29 F 4.7507 9.0613 121.7917 56.6269 38.4225 174.7688 30 L 4.1940 8.1390 123.7864 53.5928 42.6626 175.2411 31 A 4.2076 8.6009 130.8525 52.4901 18.5691 174.8549 32 E 4.3684 8.7842 120.9580 56.8047 30.0434 175.5492 33 H 4.7847 9.1145 124.8116 53.5665 31.0191 176.2801 34 A 4.0007 8.5824 124.1338 54.5655 18.4247 178.2714 35 D 4.8082 7.5761 113.4787 53.4869 41.4738 175.4485 36 R 4.6309 6.8625 114.3461 56.2597 33.5513 172.8049 37 Y 5.7975 8.6777 115.3093 56.1287 42.5079 174.5723 38 S 4.8381 8.3007 113.6550 57.8995 66.5743 172.7409 39 C 4.5433 8.7655 123.0637 57.0200 32.7734 172.9537 40 G 4.4854 8.4459 114.5371 43.8768 0.0000 169.1388 41 R 4.3564 7.3937 130.1428 57.1355 33.3977 174.8440 42 C 4.6952 7.4173 109.0691 57.1248 30.6290 174.9163 43 G 3.6941 8.4079 107.9800 46.0412 0.0000 173.0207 44 Y 4.1037 7.5046 122.3086 57.8477 39.4528 174.7189 45 T 4.9109 7.9370 123.1454 61.6609 71.8239 173.2557 46 E 4.5414 8.5528 124.9265 54.6143 33.5841 174.0987 47 F 4.9407 8.7356 123.3267 56.0408 41.1313 176.7506 48 K 4.3858 8.5755 121.4888 56.2524 30.5346 175.8907 49 K 3.9533 8.6150 123.1329 55.8740 32.4003 177.1880 50 A 3.9636 8.5733 127.8351 52.2260 18.5548 177.4004 51 K 4.2659 8.4661 123.4260 55.7049 30.9381 177.3198 52 K 4.3205 8.1916 124.5484 55.6925 29.0322 176.3997 53 S 4.7202 7.8030 117.2080 56.0672 65.0014 176.6061 54 K 4.1081 8.4797 121.7337 59.5513 32.6419 176.7938 55 S 4.0755 7.4185 118.6784 58.4726 62.5568 173.0992 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 8.30 4.22 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 Q 7.95 3.30 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 3 K 9.28 4.42 0.00 1.86 1.82 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.40 7.81 4 R 8.41 4.42 0.00 1.81 1.96 0.00 3.29 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 5 E 8.22 4.72 0.00 2.05 2.03 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 2.23 2.32 0.00 6 L 7.80 4.36 0.00 1.62 1.61 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.62 4.66 0.00 3.09 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 8 E 8.58 4.37 0.00 2.11 2.03 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 2.32 2.33 0.00 9 I 7.89 4.63 1.89 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 1.32 0.72 0.94 0.00 0.00 10 A 8.46 4.53 1.26 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 11 D 8.18 4.78 0.00 2.62 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 12 G 8.55 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.36 4.06 0.00 1.74 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 L 7.97 4.33 0.00 1.69 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.82 4.22 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 16 R 8.34 4.20 0.00 1.88 1.95 0.00 3.30 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 17 K 8.17 4.04 0.00 1.77 1.81 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.58 7.81 18 H 8.67 3.69 0.00 3.31 3.10 0.00 5.75 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.67 4.02 0.00 1.67 1.51 0.00 3.13 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 20 F 8.62 4.35 0.00 3.01 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 21 C 8.13 4.11 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 1.91 2.02 0.00 2.98 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 23 R 7.65 4.13 0.00 1.73 1.93 0.00 3.17 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 24 C 7.94 4.33 0.00 2.96 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 25 G 7.86 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 0.00 0.00 0.00 26 P 0.00 4.25 0.00 1.99 1.96 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 27 G 8.13 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 0.00 0.00 0.00 28 V 8.35 4.31 2.21 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 0.88 0.00 0.00 0.95 0.00 0.00 29 F 9.06 4.75 0.00 3.12 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 30 L 8.14 4.19 0.00 1.59 1.74 1.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.60 4.21 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.78 4.37 0.00 2.15 1.91 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 2.16 2.12 0.00 33 H 9.11 4.78 0.00 3.19 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.58 4.00 1.26 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 35 D 7.58 4.81 0.00 2.84 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 6.86 4.63 0.00 1.72 2.11 0.00 2.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 37 Y 8.68 5.80 0.00 2.91 2.79 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 38 S 8.30 4.84 0.00 3.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.77 4.54 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 40 G 8.45 4.49 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 0.00 0.00 0.00 41 R 7.39 4.36 0.00 1.68 1.85 0.00 3.23 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 42 C 7.42 4.70 0.00 3.11 3.08 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 0.00 0.00 0.00 43 G 8.41 3.69 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 0.00 0.00 0.00 44 Y 7.50 4.10 0.00 3.26 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 45 T 7.94 4.91 4.02 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 0.92 0.00 0.00 46 E 8.55 4.54 0.00 1.78 1.72 0.00 0.00 0.00 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 2.44 0.00 47 F 8.74 4.94 0.00 3.01 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 48 K 8.58 4.39 0.00 1.81 1.80 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.15 1.57 7.81 49 K 8.61 3.95 0.00 1.82 1.83 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.75 7.81 50 A 8.57 3.96 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 51 K 8.47 4.27 0.00 1.77 1.82 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.42 7.81 52 K 8.19 4.32 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.59 7.81 53 S 7.80 4.72 0.00 3.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.48 4.11 0.00 1.73 1.91 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.32 7.81 55 S 7.42 4.08 0.00 3.88 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