NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4654 8.0433 120.9988 55.5313 41.3203 179.4338 18 L 4.3343 8.9678 113.5619 52.5052 43.0747 174.5051 19 C 4.4408 8.5304 121.4164 59.4784 32.5429 174.2320 20 K 4.1569 8.5774 125.8288 58.5315 32.4385 177.6082 21 K 4.2996 8.1947 118.2398 57.0182 32.5712 176.2333 22 G 4.1326 8.3530 109.7193 46.3560 0.0000 177.9575 23 C 3.6001 7.0202 117.2803 62.7031 33.7746 173.3026 24 G 3.6035 7.3518 107.2779 46.0637 0.0000 173.9999 25 Y 4.3823 7.7302 117.1789 57.6801 39.3887 175.3284 26 Y 4.4997 8.8357 118.6814 58.1472 38.7958 175.7283 27 G 4.3214 8.7831 110.0748 44.5390 0.0000 172.5664 28 N 4.7557 9.3918 122.8958 50.9350 39.7079 174.2153 29 P 4.1930 0.0000 0.0000 65.0160 31.3687 176.9806 30 A 4.0483 7.7589 121.2886 53.1545 19.1618 177.6734 31 W 3.2416 7.5149 117.2636 57.0733 29.5458 175.8244 32 Q 3.4402 8.9548 111.4367 57.0885 26.1436 175.5940 33 G 3.7725 8.0821 103.5561 45.5858 0.0000 174.0182 34 F 4.8330 7.9731 119.0370 56.6013 40.4187 175.1999 35 C 4.9725 8.7838 118.3476 57.5514 32.3115 174.2741 36 S 3.6456 8.9310 113.3702 61.9519 62.1045 176.0436 37 K 4.0246 7.9583 121.5187 59.4182 32.1154 178.7882 38 C 4.1657 8.0528 116.5835 62.5752 28.3663 175.5414 39 W 4.4693 8.5105 129.8472 60.2076 29.8211 177.9653 40 R 3.5929 7.4905 117.3702 59.5522 29.0689 178.3139 41 E 3.8471 7.5804 117.2218 59.2287 29.4266 178.9993 42 E 3.7704 8.5071 119.6651 58.9996 29.6717 178.0658 43 Y 3.2874 7.4339 119.9957 60.5658 38.6656 177.4072 44 H 3.9652 7.7616 119.0958 58.9601 29.8061 177.5047 45 K 3.8656 7.6231 119.3364 59.4127 31.8482 179.2828 46 A 3.8935 7.7799 120.9680 55.0119 18.2203 179.9655 47 R 3.6107 7.5554 116.8109 59.1637 30.0003 179.2103 48 Q 3.8554 7.7840 117.9074 58.6754 28.6908 178.4985 49 K 3.7904 8.1304 120.8981 59.6261 32.2177 178.1967 50 Q 3.9317 8.1032 119.6199 59.5369 28.9901 178.4955 51 I 3.7645 7.7042 120.5349 64.5626 37.2432 178.2824 52 Q 4.0432 8.2291 120.4081 59.0171 28.8558 177.9137 53 E 4.1590 8.3628 119.7118 59.0980 29.6519 178.6584 54 D 4.3980 8.6941 119.4366 56.9528 40.7939 178.6241 55 W 4.0680 8.3634 128.8276 60.6975 30.7423 177.9639 56 E 3.8088 8.3364 118.0756 59.1742 28.7624 179.1761 57 L 3.8999 8.0181 120.3675 57.8349 42.1139 178.7877 58 A 3.9092 8.0654 120.9417 54.9385 18.2824 179.4804 59 E 3.5320 7.7711 117.1285 59.5296 29.2288 179.3882 60 R 3.7978 7.8736 118.7595 59.5257 29.7919 178.1344 61 L 3.9757 8.0206 119.4002 57.6307 42.1457 178.2302 62 Q 4.0501 7.8682 119.2760 58.7746 29.0590 177.5705 63 R 3.9984 7.8309 119.1988 57.9508 30.4218 176.8117 64 E 3.7140 7.3235 121.4814 57.1441 30.0919 176.9996 *65 E 4.1630 8.7088 120.7126 56.2267 30.4852 172.4715 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 17 L 8.04 4.47 0.00 2.03 1.59 0.93 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.97 4.33 0.00 1.66 1.56 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.53 4.44 0.00 3.26 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.58 4.16 0.00 1.85 1.81 0.00 1.32 0.00 0.00 0.99 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 0.95 7.81 21 K 8.19 4.30 0.00 1.99 2.02 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.91 1.52 7.81 22 G 8.35 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 23 C 7.02 3.60 0.00 3.11 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 24 G 7.35 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.38 0.00 3.04 2.98 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 0.00 0.00 0.00 26 Y 8.84 4.50 0.00 2.96 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 27 G 8.78 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 0.00 0.00 0.00 0.00 28 N 9.39 4.76 0.00 2.18 2.14 0.00 0.00 6.95 7.31 0.00 0.00 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 P 0.00 4.19 0.00 2.07 2.07 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 30 A 7.76 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.51 3.24 0.00 3.36 1.94 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 3.44 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.34 2.88 0.00 33 G 8.08 3.77 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 0.00 0.00 0.00 34 F 7.97 4.83 0.00 3.63 3.19 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 0.00 35 C 8.78 4.97 0.00 3.38 3.38 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 36 S 8.93 3.65 0.00 4.09 3.90 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 37 K 7.96 4.02 0.00 1.83 1.82 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.51 7.81 38 C 8.05 4.17 0.00 3.24 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 39 W 8.51 4.47 0.00 3.50 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 40 R 7.49 3.59 0.00 1.95 2.01 0.00 3.06 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 41 E 7.58 3.85 0.00 2.06 1.89 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 2.26 2.46 0.00 42 E 8.51 3.77 0.00 1.59 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.16 0.00 43 Y 7.43 3.29 0.00 1.43 2.21 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 44 H 7.76 3.97 0.00 3.14 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.62 3.87 0.00 1.93 1.75 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.44 7.81 46 A 7.78 3.89 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 47 R 7.56 3.61 0.00 1.60 1.69 0.00 2.68 0.00 0.00 2.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 0.00 48 Q 7.78 3.86 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 49 K 8.13 3.79 0.00 1.85 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.45 7.81 50 Q 8.10 3.93 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 51 I 7.70 3.76 1.95 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 1.41 1.05 0.89 0.00 0.00 52 Q 8.23 4.04 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 53 E 8.36 4.16 0.00 2.08 2.00 0.00 0.00 0.00 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 2.57 0.00 54 D 8.69 4.40 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.36 4.07 0.00 3.53 3.43 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 56 E 8.34 3.81 0.00 2.16 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 2.53 2.77 0.00 57 L 8.02 3.90 0.00 1.76 1.86 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.07 3.91 1.26 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 0.00 0.00 0.00 59 E 7.77 3.53 0.00 1.57 1.58 0.00 0.00 0.00 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 1.47 0.00 60 R 7.87 3.80 0.00 1.81 2.11 0.00 3.06 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 61 L 8.02 3.98 0.00 1.86 1.72 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.87 4.05 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 63 R 7.83 4.00 0.00 1.80 2.01 0.00 3.46 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 64 E 7.32 3.71 0.00 2.18 1.91 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 2.30 2.25 0.00 *65 E 8.71 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.