NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9608 8.3549 109.7335 45.7468 0.0000 175.2514 0 S 4.0486 7.5592 116.0291 60.5666 63.0054 173.8036 1 M 4.7103 7.2973 116.3108 54.0687 33.2743 174.8469 2 Q 4.5455 8.2136 117.7159 56.5047 29.4304 177.7100 3 I 4.1633 9.2719 119.9128 60.7526 39.2027 175.0469 4 F 4.5851 9.0352 123.3143 56.9960 39.9068 175.2658 5 V 4.5567 8.4674 122.2794 61.1679 35.6323 173.3533 6 K 4.8888 8.4756 126.7494 54.4905 34.2370 176.0066 7 T 4.1315 8.4033 117.7745 61.1766 69.5519 175.2490 8 L 3.9973 8.6677 123.4606 58.4357 41.9495 179.1899 9 T 3.9779 8.0018 107.4916 64.3989 69.0170 174.2727 10 G 3.8102 7.6142 116.4274 45.1482 0.0000 174.0045 11 K 3.8898 7.2059 120.4875 57.3672 32.8504 176.2766 12 T 4.4590 8.2320 118.1431 63.7028 69.4588 173.6741 13 I 4.6796 8.6912 124.4581 59.4672 41.4429 173.9523 14 T 4.7349 8.3824 118.8266 60.1882 71.2580 174.0660 15 L 4.4144 8.0009 124.7423 54.1153 45.3710 174.0209 16 E 4.7272 8.7985 125.5699 56.4126 30.6537 176.5109 17 V 4.5345 7.9162 114.0400 60.0354 36.5167 173.8111 18 E 4.0890 8.9765 124.3431 55.6788 30.0358 176.2613 19 P 4.2760 0.0000 0.0000 65.9973 31.3704 177.6797 20 S 4.2003 8.0474 112.2082 60.6258 62.5971 174.2168 21 D 4.4468 7.7224 119.9485 54.5486 41.2645 177.1841 22 T 4.0005 8.4743 113.8225 62.0181 70.4312 175.2336 23 I 3.7285 8.4225 124.6616 64.6165 37.2466 178.3483 24 E 3.9463 8.2193 117.8939 59.6145 29.2276 178.6514 25 N 4.2790 7.8955 117.3865 56.1687 38.8080 176.9569 26 V 3.5703 7.6687 118.5333 66.1195 32.0023 177.8416 27 K 4.0897 8.3448 118.1380 59.4042 31.9939 179.0653 28 A 4.7132 8.1441 122.4255 54.5958 18.1554 179.6201 29 K 3.9322 7.9697 117.6752 59.6573 32.1954 178.9997 30 I 3.7420 7.6711 120.0926 64.3309 36.3954 178.3503 31 Q 4.0349 7.8354 118.4810 59.1771 28.4117 178.3200 32 D 4.3931 8.0409 116.9048 57.3708 41.2973 177.9923 33 K 4.1909 8.2061 118.7243 59.5401 32.0426 176.7204 34 E 4.4745 9.0319 116.8288 55.6454 34.0969 174.1358 35 G 3.3603 6.9192 113.1180 45.9025 0.0000 173.2666 36 I 4.5723 6.9026 111.4274 57.9725 41.0477 173.6902 37 P 4.2460 0.0000 0.0000 62.1465 31.7165 175.3279 38 P 4.3033 0.0000 0.0000 65.9996 31.4163 178.2864 39 D 4.4610 8.1491 117.7060 57.2969 41.0594 177.6341 40 Q 4.1053 7.9077 116.9040 58.8517 28.8197 177.5118 41 Q 3.9547 7.4207 114.9620 56.3961 29.0451 176.5150 42 R 4.2431 8.4530 122.3833 55.1254 30.8698 175.7910 43 L 4.2725 8.3822 125.4140 54.3785 43.0232 175.8019 44 I 4.8084 7.5685 124.9471 59.7519 41.2364 174.4212 45 F 4.7357 8.6727 120.8296 55.7869 42.5051 174.6999 46 A 4.4875 8.3788 126.8715 50.9147 21.4816 176.2854 47 G 3.8603 8.6193 112.9757 45.8028 0.0000 174.3940 48 K 4.5175 8.0307 121.7682 54.7274 33.6009 174.6213 49 Q 4.0551 8.0011 116.2317 55.8079 28.3695 175.3664 50 L 4.0552 8.3623 126.3633 54.2169 41.3235 177.4531 51 E 4.0955 8.2617 121.7198 56.2628 29.5104 176.5262 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 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 7.56 4.05 0.00 3.88 3.95 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 1 M 7.30 4.71 0.00 2.39 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 Q 8.21 4.55 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 3 I 9.27 4.16 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.96 0.00 0.00 4 F 9.04 4.59 0.00 2.78 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 5 V 8.47 4.56 2.18 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 0.94 0.00 0.00 0.94 0.00 0.00 6 K 8.48 4.89 0.00 1.78 1.66 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.54 7.81 7 T 8.40 4.13 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 1.29 0.00 0.00 8 L 8.67 4.00 0.00 1.65 1.80 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.00 3.98 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 1.21 0.00 0.00 10 G 7.61 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.21 3.89 0.00 1.78 1.97 0.00 1.30 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 12 T 8.23 4.46 4.21 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 1.21 0.00 0.00 13 I 8.69 4.68 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.97 0.00 0.00 14 T 8.38 4.73 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 0.90 0.00 0.00 15 L 8.00 4.41 0.00 1.72 1.50 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.80 4.73 0.00 2.01 1.98 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 2.25 2.33 0.00 17 V 7.92 4.53 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 0.54 0.00 0.00 1.00 0.00 0.00 18 E 8.98 4.09 0.00 2.43 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 19 P 0.00 4.28 0.00 2.20 2.23 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 20 S 8.05 4.20 0.00 3.86 3.95 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 21 D 7.72 4.45 0.00 2.94 2.63 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 22 T 8.47 4.00 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 1.22 0.00 0.00 23 I 8.42 3.73 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.68 0.96 0.00 0.00 24 E 8.22 3.95 0.00 2.20 2.23 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 2.38 2.39 0.00 25 N 7.90 4.28 0.00 2.88 3.04 0.00 0.00 6.87 7.60 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 26 V 7.67 3.57 2.23 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 0.98 0.00 0.00 0.98 0.00 0.00 27 K 8.34 4.09 0.00 1.97 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.57 7.81 28 A 8.14 4.71 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 3.93 0.00 1.83 2.01 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 30 I 7.67 3.74 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.91 0.00 0.00 31 Q 7.84 4.03 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 32 D 8.04 4.39 0.00 2.66 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.19 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.61 7.81 34 E 9.03 4.47 0.00 1.88 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 2.22 2.38 0.00 35 G 6.92 3.36 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 0.00 0.00 0.00 36 I 6.90 4.57 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.91 0.00 0.00 37 P 0.00 4.25 0.00 2.19 2.05 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 38 P 0.00 4.30 0.00 2.22 2.32 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 39 D 8.15 4.46 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 4.11 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 41 Q 7.42 3.95 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 42 R 8.45 4.24 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 43 L 8.38 4.27 0.00 1.62 1.67 0.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.57 4.81 1.77 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 1.42 0.84 0.90 0.00 0.00 45 F 8.67 4.74 0.00 2.88 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 46 A 8.38 4.49 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 3.86 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 0.00 0.00 0.00 48 K 8.03 4.52 0.00 1.67 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.32 7.81 49 Q 8.00 4.06 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.36 4.06 0.00 1.65 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.26 4.10 0.00 1.92 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 2.31 0.00