NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1105 8.0093 120.7866 61.0589 39.1686 174.5660 2 T 4.4564 8.2665 116.9380 59.5396 71.0274 171.7844 3 A 4.6751 7.8495 124.6779 50.5246 23.2655 177.2293 4 K 4.3742 8.2536 118.7250 55.0631 34.0284 175.2510 5 P 4.3100 0.0000 0.0000 62.1042 31.8335 176.3919 6 A 4.0214 8.5191 123.1502 52.9903 18.5782 178.4277 7 K 4.2233 8.6653 121.9418 58.9350 32.6406 177.7897 8 T 4.5970 7.3380 107.5292 58.1862 68.5215 170.8509 9 P 4.1379 0.0000 0.0000 64.2259 32.1843 176.3832 10 T 4.9505 8.4083 118.3453 60.9602 68.8554 175.1992 11 S 4.3802 8.2402 122.0598 57.3168 65.1876 172.9648 12 P 4.1856 0.0000 0.0000 65.7035 31.0246 178.8864 13 K 3.9107 7.9420 117.8034 59.5955 32.3478 178.5937 14 E 3.9832 8.0685 118.5024 59.5263 29.3050 179.4137 15 Q 3.9894 8.4741 118.2486 58.7963 28.6591 178.5658 16 A 3.9531 8.1793 121.9518 55.1224 18.3009 179.8190 17 I 3.7240 7.7765 118.3515 64.4782 37.1402 178.9498 18 G 3.5702 8.2012 106.6572 47.5685 0.0000 175.5692 19 L 3.8471 8.2571 123.1780 57.9036 42.0334 179.1780 20 S 3.9979 8.1040 115.2670 61.6628 62.8360 176.8999 21 V 3.6259 7.9988 120.9679 66.2259 31.3390 178.1403 22 T 4.0423 8.2391 115.5514 66.8987 68.3279 176.5858 23 F 4.2549 8.8955 120.0209 60.7480 38.8617 177.8241 24 L 4.1233 8.5557 119.1081 57.7372 41.1714 179.6790 25 S 4.1555 8.2557 113.5175 61.0340 61.6423 176.2593 26 F 4.2976 8.1152 119.9693 60.0924 39.0057 178.0778 27 L 4.3097 8.3428 118.8138 57.5717 41.3553 179.5021 28 L 4.0413 8.2832 119.1653 57.4343 41.6465 177.7490 29 P 4.2942 0.0000 0.0000 65.6085 31.2760 178.5914 30 A 4.2014 7.6740 117.6162 55.1543 18.3111 179.8485 31 G 3.6792 8.5219 104.5723 47.6215 0.0000 175.6593 32 W 4.1948 8.7223 131.0812 60.2712 30.5823 178.1888 33 V 3.7633 7.9581 116.6514 66.2847 31.2535 177.6277 34 L 4.1585 8.3870 119.0092 57.9859 41.1794 179.0055 35 Y 3.9955 8.0525 118.8278 60.4955 38.8421 176.5151 36 H 4.1827 7.6837 115.4051 55.4506 28.7136 176.9636 37 L 3.8886 7.0701 124.3183 58.1458 41.4602 179.0249 38 D 4.2467 7.7289 117.1430 57.3940 40.9693 177.8300 39 N 4.2946 7.6698 115.4588 55.8921 38.4942 176.5507 40 Y 4.5698 7.0021 117.5038 60.8374 38.4190 177.2844 41 K 4.2799 8.0595 118.3977 58.1241 32.9366 176.9569 42 K 4.4461 7.4090 119.7487 54.2200 32.6068 175.9339 43 S 4.2931 8.2382 119.4692 58.8904 63.7182 175.8141 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 I 8.01 4.11 1.87 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 1.35 0.91 0.00 0.00 2 T 8.27 4.46 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 3 A 7.85 4.68 1.21 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 0.00 0.00 4 K 8.25 4.37 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 5 P 0.00 4.31 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 A 8.52 4.02 1.27 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 0.00 0.00 0.00 7 K 8.67 4.22 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.34 4.60 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 9 P 0.00 4.14 0.00 2.05 2.05 0.00 3.64 0.00 0.00 3.65 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 10 T 8.41 4.95 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 11 S 8.24 4.38 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.94 3.91 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.07 3.98 0.00 2.32 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 2.32 2.34 0.00 15 Q 8.47 3.99 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 16 A 8.18 3.95 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 17 I 7.78 3.72 2.04 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 1.44 0.74 0.91 0.00 0.00 18 G 8.20 3.57 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 0.00 0.00 0.00 19 L 8.26 3.85 0.00 1.69 1.66 0.49 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.10 4.00 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.63 2.16 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 1.07 0.00 0.00 1.04 0.00 0.00 22 T 8.24 4.04 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 23 F 8.90 4.25 0.00 3.01 3.14 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 0.00 0.00 0.00 0.00 24 L 8.56 4.12 0.00 1.94 1.78 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.16 0.00 4.06 4.16 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 26 F 8.12 4.30 0.00 3.24 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 27 L 8.34 4.31 0.00 1.78 1.78 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.28 4.04 0.00 1.71 1.75 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 2.17 2.09 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 30 A 7.67 4.20 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 4.19 0.00 3.52 3.51 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 0.00 0.00 0.00 0.00 33 V 7.96 3.76 2.39 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 1.10 0.00 0.00 1.32 0.00 0.00 34 L 8.39 4.16 0.00 2.03 1.77 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.05 4.00 0.00 2.98 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 36 H 7.68 4.18 0.00 2.32 2.15 0.00 5.88 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 37 L 7.07 3.89 0.00 1.73 1.65 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.73 4.25 0.00 2.60 2.49 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 39 N 7.67 4.29 0.00 2.38 2.73 0.00 0.00 6.91 7.46 0.00 0.00 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 Y 7.00 4.57 0.00 3.03 2.89 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 0.00 0.00 0.00 41 K 8.06 4.28 0.00 1.81 1.92 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.72 7.81 42 K 7.41 4.45 0.00 1.62 1.66 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.24 4.29 0.00 4.02 3.72 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 0.00 0.00 0.00