NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8373 8.4549 115.4351 56.0750 38.8343 173.2779 2 S 3.9952 7.9953 121.1795 55.2793 69.5017 175.0855 3 Q 3.4732 10.6500 124.8331 59.0194 27.6602 172.3584 4 N 4.1488 7.6687 106.6901 55.1485 37.3722 174.0275 5 E 5.4181 7.2950 118.9025 56.6619 32.5951 174.9435 6 Y 4.7295 7.9665 116.7257 57.2824 41.8643 173.7823 7 F 4.9740 9.0169 124.4812 57.1308 40.2694 174.6400 8 D 4.5333 8.2694 128.4496 53.8045 41.2202 177.3639 9 S 3.9785 8.6819 122.7791 60.6311 63.3823 175.5025 10 L 4.0619 8.4185 122.5856 57.0393 41.8817 177.3106 11 L 4.3020 7.8222 115.1831 53.8969 42.7734 175.5090 12 H 3.6459 7.9861 114.9718 56.0413 26.7357 173.1435 13 A 4.8461 6.7397 118.4094 51.3654 23.5093 176.2856 14 C 5.1890 8.6828 116.0187 55.7534 36.0776 174.0289 15 I 4.5622 7.9927 124.6308 58.3117 40.6378 173.5068 16 P 4.4299 0.0000 0.0000 63.0899 31.7603 177.7868 17 C 4.0976 8.7787 122.1601 60.6039 36.0901 176.1326 18 Q 4.1113 8.3252 118.4374 59.5048 28.1143 179.4241 19 L 3.9582 7.7398 118.7430 58.2808 41.6091 179.9679 20 R 4.4859 7.9351 118.3990 58.9068 30.1062 179.2184 21 C 4.0514 8.1545 116.5046 60.4425 40.1357 176.4321 22 S 3.8438 7.4673 112.5822 59.6309 62.1493 175.5912 23 S 5.9966 7.3195 127.4207 60.4011 62.9999 176.8799 24 N 4.4466 7.5237 119.6698 57.8489 36.8500 177.2777 25 T 3.2638 7.3398 101.5779 62.8093 67.0270 170.2485 26 P 4.1210 0.0000 0.0000 62.5707 32.1361 173.5834 27 P 4.5552 0.0000 0.0000 61.1781 32.3773 175.4753 28 L 3.8462 7.8570 117.0123 60.1573 40.2358 179.0026 29 T 4.1907 7.8224 106.2452 61.6659 68.7756 175.4320 30 C 4.8025 8.9292 119.4979 59.8567 38.9141 176.9120 31 Q 3.6847 8.6160 121.0808 59.2287 29.0109 179.0347 32 R 3.9236 8.0501 116.6901 59.3516 30.6425 177.8868 33 Y 4.1563 8.1541 118.5759 61.1010 39.4558 176.5437 34 C 4.8194 7.7742 118.5691 53.6371 33.3923 173.5450 35 N 5.0394 7.5261 131.4404 54.7480 38.6897 177.4297 36 A 3.9887 7.4542 121.5220 54.9555 18.6640 179.0488 37 S 4.1139 7.3379 108.6063 61.2660 63.4789 175.7185 38 V 3.5560 7.9338 120.2397 65.8682 31.4282 175.5251 39 T 4.0407 7.5813 117.2324 61.6758 66.9370 172.8844 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 C 8.45 4.84 0.00 3.20 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 2 S 8.00 4.00 0.00 3.93 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 3 Q 10.65 3.47 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 4 N 7.67 4.15 0.00 2.65 2.11 0.00 0.00 6.83 7.66 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 5 E 7.29 5.42 0.00 1.95 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 2.18 2.48 0.00 6 Y 7.97 4.73 0.00 3.08 2.96 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 7 F 9.02 4.97 0.00 2.98 3.10 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 0.00 0.00 0.00 0.00 8 D 8.27 4.53 0.00 2.22 2.17 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 9 S 8.68 3.98 0.00 3.89 3.92 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 0.00 0.00 0.00 10 L 8.42 4.06 0.00 1.52 1.83 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.82 4.30 0.00 1.49 1.57 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.99 3.65 0.00 3.23 3.43 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.74 4.85 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 14 C 8.68 5.19 0.00 2.86 3.16 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 15 I 7.99 4.56 0.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.20 0.95 0.00 0.00 16 P 0.00 4.43 0.00 2.20 1.99 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 17 C 8.78 4.10 0.00 2.64 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 18 Q 8.33 4.11 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 3.05 2.70 0.00 19 L 7.74 3.96 0.00 1.74 1.85 0.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 4.49 0.00 1.82 1.87 0.00 3.64 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 0.00 21 C 8.15 4.05 0.00 3.23 3.20 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 22 S 7.47 3.84 0.00 3.91 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 23 S 7.32 6.00 0.00 4.12 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 24 N 7.52 4.45 0.00 2.99 3.04 0.00 0.00 6.80 7.10 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 25 T 7.34 3.26 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 26 P 0.00 4.12 0.00 2.13 1.96 0.00 3.64 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 2.03 2.13 0.00 27 P 0.00 4.56 0.00 2.16 2.07 0.00 3.47 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.55 0.00 28 L 7.86 3.85 0.00 1.85 1.87 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.82 4.19 4.29 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 1.24 0.00 0.00 30 C 8.93 4.80 0.00 2.93 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 31 Q 8.62 3.68 0.00 2.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 32 R 8.05 3.92 0.00 1.95 1.98 0.00 3.40 0.00 0.00 3.28 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 33 Y 8.15 4.16 0.00 2.98 3.21 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 0.00 34 C 7.77 4.82 0.00 3.18 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 35 N 7.53 5.04 0.00 2.98 2.89 0.00 0.00 6.86 8.14 0.00 0.00 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 A 7.45 3.99 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 37 S 7.34 4.11 0.00 3.89 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 38 V 7.93 3.56 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 0.75 0.00 0.00 0.89 0.00 0.00 39 T 7.58 4.04 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00