NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8943 8.3549 109.7361 45.2853 0.0000 172.8952 2 K 4.2928 8.2886 117.8096 52.4067 34.2483 174.6328 3 K 4.3736 8.3680 124.2658 55.5901 35.1296 177.1711 4 S 4.5078 8.2523 117.3059 57.2615 65.7205 175.2777 5 K 3.9052 8.4233 121.3909 59.4885 31.9289 178.3356 6 A 3.9468 7.9114 120.4858 55.5384 18.3671 179.2812 7 T 3.8207 7.9022 114.2486 66.9626 68.5952 176.6090 8 K 3.9232 8.1672 121.1545 59.3659 32.1235 179.0522 9 K 4.0104 8.0002 118.9118 59.5264 32.0168 179.6051 10 R 3.9532 8.1242 118.3559 59.0476 29.8986 179.1243 11 L 3.9649 8.2164 118.7933 57.6450 41.5784 179.1736 12 A 3.9694 8.0017 120.6370 55.2148 18.2325 179.1577 13 K 3.7536 8.1153 117.8507 59.9657 31.9866 178.4154 14 L 4.3728 7.6646 119.2249 57.2922 41.9552 178.9031 15 D 4.4888 8.1902 117.5613 57.4499 41.3122 177.8490 16 N 4.3009 8.3027 117.5998 56.8955 38.8682 176.8055 17 Q 4.1368 8.4757 119.4332 58.4088 28.4619 177.4399 18 N 4.8003 7.6706 116.0264 53.2429 38.9746 174.6325 19 S 4.4912 7.2806 113.8666 57.5257 64.4892 173.5269 20 R 4.2354 8.0027 120.9463 54.8573 30.8845 175.7531 21 V 3.6048 7.9995 121.7068 61.4931 32.1810 174.0540 22 P 4.1446 0.0000 0.0000 62.9426 31.7151 176.5486 23 A 3.9473 8.9075 123.4295 55.4854 18.1049 180.0873 24 W 4.2523 8.2936 114.3516 59.9524 27.9407 178.3174 25 V 3.2407 6.6835 118.3189 65.7245 30.6589 177.9894 26 M 3.9601 8.0034 118.7780 58.2453 31.8889 178.3830 27 L 3.9938 7.9280 118.4354 57.8986 41.6993 179.4803 28 K 3.9860 8.3419 118.8708 59.2892 32.2231 177.3557 29 T 4.2926 7.9773 105.9718 60.6121 69.5052 174.1501 30 D 4.2428 8.5933 121.2114 55.9781 38.8632 170.9781 31 R 3.5206 7.9361 121.8701 55.7121 31.2192 177.0105 *35 R 3.9146 8.3382 119.2443 56.1814 31.1934 175.2681 36 N 4.5696 8.2122 121.8183 52.0713 37.8707 174.7085 37 H 4.6021 8.3047 116.5757 56.4339 28.3905 176.0009 38 K 4.5953 8.3509 118.4655 56.1309 33.3180 177.0652 39 R 4.1006 8.2160 119.2202 55.9524 29.3493 176.1783 40 R 4.5788 8.2414 123.0036 54.7271 32.2184 174.7489 41 H 5.0071 8.2237 120.8796 53.5346 32.7261 174.2704 42 W 4.1940 8.7648 123.6449 59.7173 28.0843 177.5015 43 R 3.7324 5.8400 117.6540 58.6847 29.6343 177.6280 44 R 3.8825 7.6917 115.1365 58.3244 30.2229 176.2326 45 N 4.8746 7.8355 114.3618 51.4665 40.9539 173.3760 46 D 4.5538 8.1728 117.8675 53.2587 43.5211 175.0670 47 T 4.3366 8.3332 116.9031 60.3742 70.2978 173.5887 48 D 4.5113 8.1708 121.9062 54.9640 41.6378 176.7174 49 E 4.1150 8.6264 118.5943 57.0800 29.1004 174.7994 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 3.89 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 0.00 0.00 0.00 2 K 8.29 4.29 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 3 K 8.37 4.37 0.00 1.85 1.80 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 4 S 8.25 4.51 0.00 4.07 4.05 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 5 K 8.42 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.91 3.95 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 7.90 3.82 4.48 0.00 0.00 0.00 0.00 0.00 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 8.17 3.92 0.00 1.96 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.00 4.01 0.00 2.01 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 1.76 7.81 10 R 8.12 3.95 0.00 2.02 1.98 0.00 3.38 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 L 8.22 3.96 0.00 1.85 1.72 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.00 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.75 0.00 1.84 2.01 0.00 1.67 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 1.51 7.81 14 L 7.66 4.37 0.00 1.89 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.19 4.49 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 16 N 8.30 4.30 0.00 2.83 2.97 0.00 0.00 7.29 7.04 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 17 Q 8.48 4.14 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 18 N 7.67 4.80 0.00 3.07 2.84 0.00 0.00 7.18 7.64 0.00 0.00 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 7.28 4.49 0.00 4.06 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 8.00 4.24 0.00 1.77 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 1.53 1.56 0.00 21 V 8.00 3.60 1.96 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 0.66 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.14 0.00 1.59 2.09 0.00 3.51 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.64 0.00 23 A 8.91 3.95 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 8.29 4.25 0.00 3.60 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 6.68 3.24 1.76 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 0.78 0.00 0.00 -0.35 0.00 0.00 26 M 8.00 3.96 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 27 L 7.93 3.99 0.00 1.78 1.78 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.34 3.99 0.00 1.94 2.08 0.00 2.04 0.00 0.00 2.07 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.49 7.81 29 T 7.98 4.29 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 1.28 0.00 0.00 30 D 8.59 4.24 0.00 2.80 2.72 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 31 R 7.94 3.52 0.00 1.94 1.91 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 *35 R 8.34 3.91 0.00 1.72 1.86 0.00 3.26 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 36 N 8.21 4.57 0.00 2.65 2.68 0.00 0.00 7.21 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 8.30 4.60 0.00 3.17 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.35 4.60 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 39 R 8.22 4.10 0.00 1.80 1.91 0.00 3.18 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 40 R 8.24 4.58 0.00 1.77 1.83 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 41 H 8.22 5.01 0.00 3.09 2.94 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 8.76 4.19 0.00 3.55 3.16 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 43 R 5.84 3.73 0.00 0.67 1.12 0.00 2.61 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 44 R 7.69 3.88 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 45 N 7.84 4.87 0.00 2.90 2.76 0.00 0.00 6.70 7.78 0.00 0.00 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 8.17 4.55 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 8.33 4.34 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 8.17 4.51 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.11 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.