NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6190 8.2076 120.3015 53.3707 41.9966 177.3565 2 Y 4.0729 7.9127 118.8439 59.2923 38.1491 176.1185 3 L 3.7619 6.8413 120.1754 56.9003 41.9584 180.0735 4 R 3.9704 7.7533 118.2393 58.5784 30.2389 177.7823 5 E 3.9610 8.0841 119.5274 58.9380 29.5067 178.7324 6 L 3.9709 7.7920 118.7423 57.8287 41.7779 179.2414 7 L 3.9507 7.6214 120.2705 58.0074 41.9659 179.2309 8 K 3.9593 7.8493 118.5289 59.3802 31.7835 179.0359 9 L 3.9808 7.7922 119.1430 58.2922 41.6113 179.6957 10 E 4.0539 8.5577 118.2857 58.9743 28.8680 179.1541 11 L 4.0021 7.7949 120.8012 58.0188 42.2433 178.6645 12 Q 3.9810 8.7945 119.7238 59.0157 28.9594 178.1755 13 A 4.0144 7.7117 121.8334 55.1870 18.5438 179.7155 14 I 3.8442 7.9438 118.3892 64.1545 36.5483 178.6868 15 K 3.9810 7.7006 120.1341 59.6803 31.9896 178.9347 16 Q 4.0933 8.1182 117.7431 58.3922 28.6181 177.8464 17 Y 4.2199 7.8739 117.5067 60.3121 38.0368 177.5273 18 R 3.9812 7.7780 118.3959 59.7529 30.5397 178.0716 19 E 4.2526 7.9723 117.0227 59.0265 29.5790 179.0556 20 A 4.0147 7.7946 121.0070 54.9838 18.2891 179.3011 21 L 4.1229 8.3691 117.7510 57.4753 42.2155 178.3951 22 E 4.1040 8.0116 118.6340 59.1087 29.7121 177.3702 23 Y 4.6764 8.2835 114.2520 57.9915 38.9137 176.5856 24 V 4.1795 7.1254 117.6861 62.1365 31.7911 177.9777 25 K 4.4773 7.0719 117.8104 57.8433 29.0861 172.2486 26 L 4.7039 7.6655 123.5871 51.2101 44.8915 175.4732 27 P 4.2390 0.0000 0.0000 65.8811 31.2127 178.5934 28 V 3.6299 7.9643 117.0983 65.2380 30.9233 178.3323 29 L 3.9627 8.0960 119.0578 57.4098 41.2501 179.1913 30 A 4.0464 7.8247 119.7885 54.2794 18.6540 179.2067 31 K 4.0040 7.6890 118.0755 59.3403 32.5357 178.5947 32 I 3.4640 7.6273 120.1416 64.3628 36.9548 177.9724 33 L 3.7286 7.5057 120.7644 58.0283 41.6428 178.9285 34 E 3.8453 7.7652 118.0823 59.4236 29.4083 178.9957 35 D 4.0429 7.7582 118.1043 57.5270 41.0987 178.4895 36 E 3.9058 7.9320 118.8342 59.6131 29.3259 179.4942 37 E 3.9050 8.0232 118.5432 58.9779 29.5765 179.1417 38 K 3.5965 7.3912 119.6948 59.0549 32.2570 178.4856 39 H 4.0121 8.0655 116.9805 58.8810 28.6617 177.4375 40 I 3.6624 7.4850 121.0518 64.8693 36.9027 177.7015 41 E 3.8670 7.7282 118.1969 60.0070 29.4880 179.6124 42 W 4.5490 8.0678 117.8705 60.0415 29.2429 178.7397 43 L 4.2164 8.0334 118.5081 57.5555 41.1093 179.1646 44 E 4.0806 8.1983 116.1219 59.3908 29.5988 178.9656 45 T 4.0482 8.0771 116.7194 66.4926 68.5354 176.1939 46 I 3.9947 7.1739 119.8273 65.0221 37.7384 176.6891 47 L 4.6178 8.3516 120.1661 55.3336 45.0421 176.9652 48 G 4.2845 7.9037 109.1901 45.7752 0.0000 174.0265 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 D 8.21 4.62 0.00 2.87 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 2 Y 7.91 4.07 0.00 3.36 3.24 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 3 L 6.84 3.76 0.00 1.30 1.51 0.68 0.71 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 4 R 7.75 3.97 0.00 1.84 1.90 0.00 3.17 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 5 E 8.08 3.96 0.00 2.34 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 2.34 2.42 0.00 6 L 7.79 3.97 0.00 1.93 1.70 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.62 3.95 0.00 1.71 1.75 0.92 0.45 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 8 K 7.85 3.96 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 L 7.79 3.98 0.00 1.95 1.80 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.56 4.05 0.00 2.13 2.01 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 2.56 2.49 0.00 11 L 7.79 4.00 0.00 1.99 1.66 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.79 3.98 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 13 A 7.71 4.01 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 14 I 7.94 3.84 2.15 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 1.40 1.00 0.92 0.00 0.00 15 K 7.70 3.98 0.00 1.90 2.01 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 16 Q 8.12 4.09 0.00 2.30 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 17 Y 7.87 4.22 0.00 3.12 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 18 R 7.78 3.98 0.00 2.22 2.09 0.00 3.32 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 19 E 7.97 4.25 0.00 2.27 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 0.00 2.43 2.38 0.00 20 A 7.79 4.01 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 21 L 8.37 4.12 0.00 2.02 1.93 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.01 4.10 0.00 2.22 2.10 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 2.20 2.32 0.00 23 Y 8.28 4.68 0.00 2.80 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 24 V 7.13 4.18 2.10 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 0.72 0.00 0.00 0.95 0.00 0.00 25 K 7.07 4.48 0.00 1.81 2.08 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.56 7.81 26 L 7.67 4.70 0.00 1.71 1.53 0.94 1.06 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 27 P 0.00 4.24 0.00 2.14 2.12 0.00 3.62 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 2.12 2.17 0.00 28 V 7.96 3.63 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 29 L 8.10 3.96 0.00 2.00 1.80 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.82 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.00 0.00 1.92 1.86 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 I 7.63 3.46 1.40 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 1.25 0.45 0.10 0.00 0.00 33 L 7.51 3.73 0.00 1.86 1.76 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.77 3.85 0.00 2.22 1.87 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 2.26 2.29 0.00 35 D 7.76 4.04 0.00 2.68 2.40 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 0.00 0.00 0.00 0.00 36 E 7.93 3.91 0.00 1.98 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 2.23 2.42 0.00 37 E 8.02 3.90 0.00 2.13 1.88 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 2.27 2.33 0.00 38 K 7.39 3.60 0.00 1.38 1.45 0.00 1.35 0.00 0.00 1.40 0.00 0.00 2.65 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.41 7.81 39 H 8.07 4.01 0.00 3.21 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.49 3.66 2.07 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 1.51 0.85 0.88 0.00 0.00 41 E 7.73 3.87 0.00 1.91 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 2.36 2.38 0.00 42 W 8.07 4.55 0.00 3.60 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 43 L 8.03 4.22 0.00 1.76 1.71 0.96 0.70 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 44 E 8.20 4.08 0.00 2.14 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 0.00 2.44 2.36 0.00 45 T 8.08 4.05 4.51 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 1.25 0.00 0.00 46 I 7.17 3.99 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.88 0.00 0.00 47 L 8.35 4.62 0.00 1.75 1.62 0.88 0.63 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 48 G 7.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00