NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.6228 8.3649 120.2033 54.7940 41.5734 175.2493 8 C 4.8271 8.3927 123.7335 54.8636 40.6836 174.9771 9 S 4.0725 9.1297 119.3241 61.3693 63.5086 175.0972 10 E 4.1048 8.1973 118.4466 57.9011 29.4652 176.4519 11 Y 4.2196 7.8570 117.1220 56.1514 38.9604 173.0987 12 P 4.7551 0.0000 0.0000 62.8568 31.2160 176.8550 13 K 4.3973 9.0652 120.0423 53.7607 33.3927 175.2168 14 P 4.4099 0.0000 0.0000 64.6698 31.6397 177.0380 15 A 4.4972 7.2762 122.8537 51.1063 19.5095 175.7854 16 C 5.1870 8.4473 119.8581 54.6657 44.0067 174.1624 17 T 4.2073 8.4586 112.0081 62.3263 68.7627 173.6409 18 L 4.7756 8.0687 120.1417 54.3590 42.4397 176.6111 19 E 4.0396 7.6724 118.8501 56.0741 30.0799 175.5203 20 Y 4.6896 8.6082 128.0101 56.8001 38.1871 174.5361 21 R 4.5281 8.3906 125.0751 52.9620 30.1033 172.8386 22 P 4.5565 0.0000 0.0000 63.6377 33.0645 175.5465 23 L 5.1384 8.7276 120.0147 53.2146 46.6300 174.4638 24 C 5.1556 8.9065 122.7433 54.7390 40.8073 173.9027 25 G 4.4999 9.0510 114.2633 45.6694 0.0000 174.5594 26 S 4.3328 8.9277 115.1566 60.7910 63.1028 175.3241 27 D 4.4957 8.2300 117.8185 53.2924 38.9759 175.1972 28 N 4.1722 7.8814 116.6908 54.9263 38.2267 173.4208 29 K 4.6096 7.8529 113.9607 54.3394 35.3959 175.7018 30 T 4.7507 8.2250 120.6179 63.1624 69.5471 173.7496 31 Y 4.6374 8.8726 124.4721 56.2073 40.3481 177.5236 32 G 3.7472 8.7892 111.7237 48.4415 0.0000 172.9427 33 N 5.2303 7.5707 114.6065 51.6816 39.8689 175.1142 34 K 4.0780 8.6043 116.8857 59.7069 31.8705 180.0395 35 C 4.4241 8.2304 119.7287 59.2365 40.2252 175.1243 36 N 4.3219 8.6332 118.1042 56.3059 38.1226 177.0995 37 F 3.4562 8.2629 121.8929 61.4514 39.4695 176.6361 38 C 3.7019 7.9899 116.0060 59.6746 35.1108 175.8452 39 N 4.2160 7.8902 118.0249 56.1463 37.5711 177.3155 40 A 3.9118 7.5840 122.2732 54.6900 18.2486 179.9100 41 V 3.1556 7.1143 117.0610 65.9486 31.6383 178.2909 42 V 3.5020 7.5151 117.9513 66.2388 31.1214 177.8311 43 E 4.0798 7.8467 116.9713 59.1232 29.2769 178.9715 44 S 4.5918 7.3704 112.6183 59.1658 64.2050 173.9034 45 N 4.8553 6.9071 117.7941 50.4400 39.1812 173.7471 46 G 3.8750 8.9838 108.4855 46.1446 0.0000 172.4122 47 T 4.2101 7.6779 116.2039 64.2567 69.4004 175.2297 48 L 4.1026 7.5655 123.8686 54.8884 42.6760 175.6565 49 T 4.8443 8.2556 114.5581 59.6939 72.6682 172.1612 50 L 4.2976 8.3078 123.9003 54.3143 42.3980 175.9607 51 S 4.3294 8.6194 122.5503 60.7479 62.7100 173.3046 52 H 4.5249 7.2430 112.2647 54.8351 31.3443 172.5128 53 F 4.5099 8.6688 117.6734 57.8802 39.6667 176.9447 54 G 4.1040 8.6230 107.6437 45.1122 0.0000 173.7390 55 K 4.1530 8.1224 118.1363 56.4999 33.2438 177.8161 56 C 4.5351 8.5340 116.7456 57.5348 41.0134 173.8474 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 7 D 8.36 4.62 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.39 4.83 0.00 3.02 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 9 S 9.13 4.07 0.00 4.03 4.09 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 0.00 0.00 0.00 10 E 8.20 4.10 0.00 1.84 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 2.32 2.26 0.00 11 Y 7.86 4.22 0.00 3.27 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 12 P 0.00 4.76 0.00 2.21 2.09 0.00 3.72 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 1.99 2.00 0.00 13 K 9.07 4.40 0.00 1.44 1.57 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.97 0.83 7.81 14 P 0.00 4.41 0.00 2.20 2.21 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 15 A 7.28 4.50 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 5.19 0.00 3.00 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 17 T 8.46 4.21 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 1.25 0.00 0.00 18 L 8.07 4.78 0.00 1.67 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.67 4.04 0.00 2.04 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 2.37 2.28 0.00 20 Y 8.61 4.69 0.00 2.92 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 21 R 8.39 4.53 0.00 1.82 1.94 0.00 3.17 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 22 P 0.00 4.56 0.00 1.98 1.67 0.00 3.31 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.52 0.00 23 L 8.73 5.14 0.00 1.59 1.28 1.11 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.91 5.16 0.00 3.05 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 25 G 9.05 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.33 0.00 4.00 4.03 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 27 D 8.23 4.50 0.00 2.86 2.88 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 28 N 7.88 4.17 0.00 2.86 2.88 0.00 0.00 6.93 6.53 0.00 0.00 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 7.85 4.61 0.00 1.77 1.25 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.50 7.81 30 T 8.23 4.75 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 1.28 0.00 0.00 31 Y 8.87 4.64 0.00 3.06 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 32 G 8.79 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 0.00 0.00 0.00 33 N 7.57 5.23 0.00 2.96 3.08 0.00 0.00 6.74 6.89 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 34 K 8.60 4.08 0.00 1.91 1.99 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.67 1.67 7.81 35 C 8.23 4.42 0.00 3.16 3.40 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 N 8.63 4.32 0.00 3.17 3.06 0.00 0.00 6.70 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 37 F 8.26 3.46 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 38 C 7.99 3.70 0.00 1.55 1.63 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 39 N 7.89 4.22 0.00 2.88 2.88 0.00 0.00 6.85 8.13 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 40 A 7.58 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.11 3.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 -0.06 0.00 0.00 42 V 7.52 3.50 2.20 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 0.97 0.00 0.00 1.01 0.00 0.00 43 E 7.85 4.08 0.00 2.13 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 2.33 2.46 0.00 44 S 7.37 4.59 0.00 3.99 4.03 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 45 N 6.91 4.86 0.00 2.63 2.73 0.00 0.00 7.29 7.65 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 46 G 8.98 3.87 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 0.00 0.00 0.00 47 T 7.68 4.21 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 1.20 0.00 0.00 48 L 7.57 4.10 0.00 1.47 1.29 0.45 1.02 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 49 T 8.26 4.84 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 50 L 8.31 4.30 0.00 1.13 1.36 0.04 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.62 4.33 0.00 3.86 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 52 H 7.24 4.52 0.00 3.13 3.29 0.00 5.52 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.67 4.51 0.00 3.05 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 54 G 8.62 4.10 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 0.00 0.00 0.00 55 K 8.12 4.15 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 56 C 8.53 4.54 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00