NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8754 8.3549 109.7360 45.2481 0.0000 173.0203 2 K 4.2410 8.4492 120.7758 52.6043 33.1506 174.8255 3 K 4.5182 8.2864 123.6422 55.3829 35.6544 176.3360 4 S 4.6326 8.0727 115.5133 56.9435 66.2182 174.9327 5 K 3.8019 8.5326 122.1774 59.7457 31.7336 178.5338 6 A 3.9984 7.8885 120.4056 55.3911 18.4374 179.5437 7 T 3.8067 7.6828 114.2289 66.7364 68.5754 176.7635 8 K 4.0342 8.3051 121.6251 59.3939 32.0714 179.0457 9 K 4.0129 7.8497 118.4135 59.4226 31.9875 179.5634 10 R 3.9277 8.1239 118.3648 59.2673 29.9934 179.1204 11 L 3.9878 8.4588 118.9982 57.5394 41.5621 179.3367 12 A 3.9743 7.9784 120.7159 55.0861 18.3811 179.4768 13 K 3.8227 8.1614 118.0413 59.8062 32.1427 178.7278 14 L 4.0423 8.0469 119.1663 58.0950 41.3057 179.1682 15 D 4.3598 8.0829 116.9498 57.0861 41.1894 177.5753 16 N 4.4648 7.8759 117.0912 56.8027 39.4544 176.8340 17 Q 4.1841 8.6083 119.5428 58.3799 28.3942 177.4761 18 N 4.6073 7.5421 116.3704 53.2102 39.0190 174.4037 19 S 4.6174 7.3496 113.7851 56.1473 65.1582 173.3475 20 R 4.1671 8.0092 120.6171 54.9899 30.7185 175.7396 21 V 3.5940 8.0385 121.6652 61.5323 31.5811 173.9341 22 P 4.1096 0.0000 0.0000 62.9326 31.4627 176.7266 23 A 3.9695 8.8878 123.8338 55.4045 18.6581 179.9058 24 W 4.2524 8.2783 113.0629 59.8261 27.6816 178.3333 25 V 3.2284 6.2928 119.1970 65.8780 30.6169 177.9234 26 M 4.0166 7.6058 118.4207 58.3809 31.7475 178.7489 27 L 4.0549 7.7595 118.5517 57.5826 41.8298 179.0880 28 K 4.1687 8.4701 118.6095 58.4436 32.0706 177.1343 29 T 4.5425 7.1603 106.1758 60.6190 69.1520 173.2997 30 D 4.3104 9.1602 119.4929 55.4937 39.1759 171.0096 31 R 3.8478 8.1080 122.8818 55.5870 30.7732 176.5896 *35 R 3.8224 8.3250 119.1393 56.0565 30.8653 174.8027 36 N 4.5304 8.4857 122.3811 52.5075 38.5016 174.2495 37 H 4.6231 8.5151 122.4239 56.8073 29.2014 175.9942 38 K 4.6628 8.4837 119.9496 55.7492 32.6773 176.6699 39 R 4.2102 7.9743 117.8306 55.6777 30.9536 176.4522 40 R 4.5935 8.4500 122.2913 54.5512 33.0145 173.5740 41 H 4.9705 8.4614 124.1057 53.6261 31.8024 175.1797 42 W 4.1645 8.5963 123.3696 59.3797 28.0597 177.2552 43 R 3.7413 5.8649 117.8159 58.3772 29.7855 177.6108 44 R 3.8897 7.7551 115.5734 58.2327 30.2557 176.3237 45 N 4.8987 7.9228 114.2072 51.3526 41.0510 173.5173 46 D 4.5751 8.1567 117.9576 52.9353 43.5057 175.0433 47 T 4.2429 8.3936 116.8563 61.0710 69.9358 173.4791 48 D 4.5980 8.1976 122.0455 54.2767 42.1118 176.8200 49 E 4.1503 8.6455 118.5450 56.9153 28.8898 174.9745 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 3.88 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 0.00 0.00 0.00 2 K 8.45 4.24 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.43 7.81 3 K 8.29 4.52 0.00 1.85 1.79 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 4 S 8.07 4.63 0.00 4.06 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 5 K 8.53 3.80 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 6 A 7.89 4.00 1.32 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 0.00 0.00 0.00 7 T 7.68 3.81 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.31 4.03 0.00 1.81 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 K 7.85 4.01 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.83 7.81 10 R 8.12 3.93 0.00 2.02 1.98 0.00 3.53 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 11 L 8.46 3.99 0.00 1.79 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.98 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.16 3.82 0.00 1.84 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 8.05 4.04 0.00 1.93 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.08 4.36 0.00 2.67 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 16 N 7.88 4.46 0.00 2.79 3.00 0.00 0.00 7.25 7.21 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 17 Q 8.61 4.18 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 18 N 7.54 4.61 0.00 2.91 2.97 0.00 0.00 7.11 8.27 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 19 S 7.35 4.62 0.00 4.05 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 20 R 8.01 4.17 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 21 V 8.04 3.59 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 0.68 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.11 0.00 1.59 2.14 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.68 0.00 23 A 8.89 3.97 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 24 W 8.28 4.25 0.00 3.62 3.33 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 25 V 6.29 3.23 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.50 0.00 0.00 26 M 7.61 4.02 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 27 L 7.76 4.05 0.00 1.90 1.76 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.47 4.17 0.00 2.00 1.99 0.00 2.13 0.00 0.00 2.01 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.58 7.81 29 T 7.16 4.54 4.23 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 1.27 0.00 0.00 30 D 9.16 4.31 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.85 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 *35 R 8.32 3.82 0.00 1.74 1.77 0.00 3.22 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 36 N 8.49 4.53 0.00 2.62 2.71 0.00 0.00 7.28 7.89 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 37 H 8.52 4.62 0.00 3.18 3.30 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.48 4.66 0.00 1.76 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 39 R 7.97 4.21 0.00 1.80 1.87 0.00 3.15 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 R 8.45 4.59 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.46 4.97 0.00 3.14 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.60 4.16 0.00 3.52 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 5.86 3.74 0.00 0.67 1.24 0.00 2.52 0.00 0.00 2.92 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 0.00 44 R 7.76 3.89 0.00 1.75 1.90 0.00 3.30 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 45 N 7.92 4.90 0.00 2.97 2.74 0.00 0.00 6.69 8.74 0.00 0.00 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 D 8.16 4.58 0.00 2.57 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 47 T 8.39 4.24 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 1.24 0.00 0.00 48 D 8.20 4.60 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 49 E 8.65 4.15 0.00 2.11 2.13 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 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.