NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6013 8.3049 120.2735 55.3254 33.6551 174.0497 2 R 4.4700 8.1846 119.6607 53.2625 34.3987 172.9561 3 K 4.7178 7.3736 121.1778 54.3998 35.5938 174.5004 4 I 4.8853 8.7820 120.3224 59.1893 41.3575 174.4664 5 Q 4.9061 9.0590 123.3100 53.8136 30.5046 174.5843 6 V 4.4770 8.7561 125.7243 61.0330 33.9064 175.0002 7 G 4.1924 9.1365 115.7645 45.7361 0.0000 172.6764 8 V 5.1841 8.6777 124.3479 61.0973 34.5920 174.5896 9 T 4.6181 8.9422 118.3499 61.0310 71.0392 174.8638 10 G 4.2351 9.2578 110.7146 46.0045 0.0000 173.8382 11 M 4.3587 8.0008 120.5990 55.4907 32.2000 175.9668 12 T 4.6566 8.4952 111.5399 60.3582 70.6093 173.0013 13 C 4.6627 7.6295 116.5525 56.2924 33.7003 174.2514 14 A 4.0577 8.8239 123.0600 54.7564 17.8545 179.6221 15 A 3.9575 7.9787 118.6928 55.2623 18.5139 179.5588 16 C 4.2616 7.9546 115.1358 63.1230 28.4885 176.2328 17 S 3.9887 7.8609 115.3961 61.6177 62.4199 176.2430 18 N 4.4550 8.4249 120.4807 55.9065 38.2440 177.5635 19 S 4.1520 8.1053 115.9178 61.3320 63.1782 176.8233 20 V 3.5953 7.7127 121.8170 65.5886 31.2694 177.6702 21 E 3.8772 8.2495 118.9117 59.1689 29.2764 178.6345 22 A 3.9677 8.0331 119.6097 55.0958 18.6221 179.1201 23 A 4.1002 8.1027 119.2402 55.4122 18.4913 179.9284 24 L 3.9665 8.0312 117.4696 58.1075 41.4989 179.3253 25 M 4.2470 8.0223 116.8047 57.0686 32.0661 177.3248 26 N 4.8082 7.5289 115.2425 52.2159 39.4451 174.8813 27 V 3.8728 7.3996 122.6452 61.3516 31.9109 174.7367 28 N 4.5428 8.6940 126.6458 55.2882 39.1844 174.4938 29 G 4.1091 9.1499 113.6887 45.3568 0.0000 173.0628 30 V 4.3102 7.5969 120.2209 62.6973 32.0079 175.0967 31 F 4.6931 9.4033 130.4141 60.0152 40.4120 175.8705 32 K 4.5906 7.9181 117.8459 54.8213 35.8281 174.6466 33 A 5.0759 8.4962 127.3321 50.3785 22.0454 175.2830 34 S 4.5749 9.2249 119.1050 56.8388 66.0208 173.2834 35 V 4.6481 8.4767 124.8492 61.1411 33.3568 175.1902 36 A 4.4757 8.9618 130.5598 49.8702 19.5657 176.3711 37 L 3.7935 8.6394 122.9887 59.3435 41.9348 178.9000 38 L 4.1760 7.8982 116.2633 56.7666 41.6922 178.2085 39 Q 4.4548 7.6741 115.3310 54.3519 29.7065 174.9066 40 N 4.2772 7.9055 115.6546 54.6288 36.9725 173.6979 41 R 5.2148 7.7768 114.4892 54.3178 34.6097 175.0013 42 A 4.9943 9.0630 124.1877 50.4192 22.0284 174.5020 43 D 5.1834 9.2516 123.7279 53.1625 42.9366 176.0227 44 V 4.6800 8.8098 123.9846 61.0552 34.7868 174.1143 45 V 4.7299 8.8819 128.8454 61.4425 33.1027 174.5492 46 F 5.4152 8.8488 122.2791 55.5082 42.1137 173.2149 47 D 5.0872 9.2834 121.2073 52.2497 41.2846 175.3747 48 P 5.4840 0.0000 0.0000 64.5516 31.5370 177.4099 49 N 4.5582 8.7250 116.7731 55.2454 38.6076 175.6917 50 L 4.6994 7.8242 116.5695 54.7685 43.9825 176.7028 51 V 4.3532 7.2448 115.3735 60.7416 33.6422 171.9889 52 K 4.8075 8.5322 120.3785 53.8189 35.8137 177.1321 53 E 3.6374 8.5927 118.4047 59.9392 29.1359 179.6322 54 E 3.9117 8.0026 117.8984 59.4300 29.5596 178.9727 55 D 4.3636 7.9231 119.0498 57.0684 40.7634 178.9177 56 I 3.6190 7.3219 120.0356 64.0699 37.2016 178.0389 57 K 3.8461 8.1408 120.7466 59.6103 31.9538 178.4265 58 E 4.2785 8.3446 123.2806 59.3712 29.4553 179.2022 59 E 4.0251 8.2525 118.4676 61.2064 29.6645 181.5210 60 I 4.0689 7.6491 120.3940 64.1924 37.0040 178.4242 61 E 4.7814 8.1866 120.8891 59.2375 29.1117 179.1887 62 D 4.4563 8.3659 117.8502 57.1405 40.8760 178.4186 63 A 4.2311 7.5679 120.5507 53.9983 18.4367 176.9769 64 G 3.0075 6.6548 105.2448 44.9655 0.0000 172.8966 65 F 4.9926 7.9370 120.1055 55.5390 42.8334 173.6985 66 E 5.1247 8.7734 117.3186 55.1808 32.2425 175.6286 67 A 5.6383 8.3279 122.8685 51.0129 22.6631 175.0391 68 E 4.6839 8.4524 119.5846 54.6030 33.4927 174.2946 69 I 4.0229 8.3707 127.0248 61.9391 37.2198 175.6657 70 L 4.4591 8.8985 127.1383 56.6913 42.8611 176.7096 71 A 4.5079 7.5479 116.9985 51.1381 22.6504 174.8568 72 E 4.5751 8.6544 119.3712 55.5588 30.2190 175.9921 73 E 4.2430 9.0450 127.3173 57.9783 30.2059 176.4781 74 W 4.7064 7.1838 119.2434 56.9113 27.8174 173.9733 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 4.60 0.00 1.93 2.25 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 2 R 8.18 4.47 0.00 0.67 1.41 0.00 3.18 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 3 K 7.37 4.72 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.99 1.16 7.81 4 I 8.78 4.89 1.87 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 1.03 0.00 0.00 5 Q 9.06 4.91 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.06 0.00 6 V 8.76 4.48 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 0.98 0.00 0.00 0.87 0.00 0.00 7 G 9.14 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 5.18 1.96 0.00 0.00 0.00 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 0.85 0.00 0.00 9 T 8.94 4.62 4.27 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 1.22 0.00 0.00 10 G 9.26 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 0.00 0.00 0.00 0.00 11 M 8.00 4.36 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.54 0.00 12 T 8.50 4.66 4.26 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 1.29 0.00 0.00 13 C 7.63 4.66 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 14 A 8.82 4.06 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 15 A 7.98 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.95 4.26 0.00 3.24 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 17 S 7.86 3.99 0.00 4.02 4.04 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 18 N 8.42 4.45 0.00 2.94 2.91 0.00 0.00 6.78 7.40 0.00 0.00 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 S 8.11 4.15 0.00 4.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.71 3.60 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 0.87 0.00 0.00 0.49 0.00 0.00 21 E 8.25 3.88 0.00 2.05 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 0.00 2.28 2.43 0.00 22 A 8.03 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.10 4.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.97 0.00 1.89 1.71 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.02 4.25 0.00 1.97 2.10 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 2.59 2.84 0.00 26 N 7.53 4.81 0.00 2.79 2.85 0.00 0.00 6.89 8.48 0.00 0.00 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 V 7.40 3.87 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 0.91 0.00 0.00 0.95 0.00 0.00 28 N 8.69 4.54 0.00 2.74 2.75 0.00 0.00 7.50 7.98 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 29 G 9.15 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 0.00 0.00 0.00 0.00 30 V 7.60 4.31 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 0.84 0.00 0.00 0.96 0.00 0.00 31 F 9.40 4.69 0.00 3.05 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 32 K 7.92 4.59 0.00 1.72 1.66 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 33 A 8.50 5.08 1.16 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 0.00 0.00 34 S 9.22 4.57 0.00 3.73 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 35 V 8.48 4.65 2.02 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 0.71 0.00 0.00 0.89 0.00 0.00 36 A 8.96 4.48 1.20 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 0.00 0.00 37 L 8.64 3.79 0.00 1.72 1.68 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.90 4.18 0.00 1.62 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.67 4.45 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 40 N 7.91 4.28 0.00 2.93 3.02 0.00 0.00 6.74 7.54 0.00 0.00 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 7.78 5.21 0.00 1.65 1.74 0.00 3.37 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 42 A 9.06 4.99 1.13 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 0.00 0.00 43 D 9.25 5.18 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.90 0.00 0.00 45 V 8.88 4.73 2.34 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 1.10 0.00 0.00 1.01 0.00 0.00 46 F 8.85 5.42 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 47 D 9.28 5.09 0.00 2.84 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 48 P 0.00 5.48 0.00 2.28 2.30 0.00 3.34 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 49 N 8.72 4.56 0.00 2.92 2.95 0.00 0.00 6.80 8.65 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 50 L 7.82 4.70 0.00 1.78 1.73 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.24 4.35 2.29 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 0.82 0.00 0.00 0.90 0.00 0.00 52 K 8.53 4.81 0.00 1.86 1.82 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.54 7.81 53 E 8.59 3.64 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 54 E 8.00 3.91 0.00 2.01 1.97 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 2.38 2.43 0.00 55 D 7.92 4.36 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.32 3.62 1.81 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.79 0.00 0.00 57 K 8.14 3.85 0.00 1.76 2.00 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 58 E 8.34 4.28 0.00 2.14 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 0.00 2.29 2.17 0.00 59 E 8.25 4.03 0.00 2.03 1.95 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 2.24 2.23 0.00 60 I 7.65 4.07 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.27 0.98 0.00 0.00 61 E 8.19 4.78 0.00 2.20 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 0.00 2.35 2.40 0.00 62 D 8.37 4.46 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.57 4.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 6.65 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 0.00 0.00 0.00 65 F 7.94 4.99 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.77 5.12 0.00 1.98 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 2.23 2.26 0.00 67 A 8.33 5.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.45 4.68 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 69 I 8.37 4.02 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.93 0.00 0.00 70 L 8.90 4.46 0.00 1.64 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.55 4.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.65 4.58 0.00 1.87 1.90 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 2.28 2.30 0.00 73 E 9.04 4.24 0.00 1.84 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 2.42 2.30 0.00 74 W 7.18 4.71 0.00 3.41 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