NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8781 8.3549 109.7358 45.2500 0.0000 173.0127 2 K 4.3003 8.4099 119.5046 52.3599 33.6352 174.5598 3 K 4.4033 8.3213 124.0587 55.6101 35.2124 176.9676 4 S 4.5669 8.1623 116.7707 57.0049 66.1420 175.1650 5 K 3.8690 8.4048 121.0494 59.5498 31.7980 178.2380 6 A 3.9617 7.9271 120.4181 55.6283 18.3352 179.2839 7 T 3.7966 7.5176 113.5497 66.9779 68.5439 176.6519 8 K 3.9388 8.2891 121.2880 59.2615 32.0699 179.1006 9 K 3.9725 8.0395 118.9457 59.4154 31.9881 179.4751 10 R 3.9156 8.2279 118.5379 59.3993 30.0518 179.1564 11 L 4.0022 8.2805 118.7325 57.5301 41.5266 179.4561 12 A 3.9750 7.9869 120.8285 55.0107 18.2865 179.5201 13 K 3.8441 8.2555 118.2756 59.8204 32.0917 178.8221 14 L 4.1133 7.8184 117.8166 57.9810 41.7802 178.8710 15 D 4.4639 8.1304 117.9829 57.2527 41.0650 177.7980 16 N 4.3250 8.1268 117.6664 56.7969 38.8148 176.7236 17 Q 4.1824 8.1994 117.9309 57.8503 28.7235 176.8536 18 N 4.7926 7.6394 117.8575 52.9281 39.2037 174.4583 19 S 4.5957 7.2324 114.1717 56.6306 64.9456 173.1593 20 R 4.3534 7.9839 120.3111 54.3689 31.1185 175.8396 21 V 3.5067 8.1633 122.9150 62.0963 31.8625 174.1626 22 P 4.2145 0.0000 0.0000 62.7988 31.9258 176.6341 23 A 3.9406 9.0101 124.1037 55.4741 18.1248 180.0065 24 W 4.2743 8.3009 114.3016 59.7772 28.1766 178.5050 25 V 2.9955 6.9642 119.1977 65.5122 30.7393 177.9483 26 M 3.9790 7.6469 118.6414 58.3648 31.7416 178.7211 27 L 4.0358 7.8170 118.6136 57.6522 41.7485 179.2668 28 K 4.2030 8.3443 118.6523 58.4271 32.2054 177.8724 29 T 4.4446 7.5208 107.3394 60.2886 69.2670 173.5458 30 D 4.3071 8.5718 119.3407 55.2931 39.2888 169.9772 31 E 3.7067 7.9560 123.7196 55.6668 30.2969 174.6562 *35 R 3.8424 8.3055 120.2635 56.0063 31.5534 174.6371 36 N 4.6558 8.2343 120.9759 52.1037 39.1245 174.3870 37 H 4.5835 8.5388 122.2441 57.0162 29.0752 176.3926 38 K 4.5467 8.0278 118.5552 55.9150 32.2094 176.4884 39 R 3.9936 7.4282 118.0172 56.3304 30.2682 176.2967 40 R 4.5056 8.3781 122.0778 54.6656 32.7890 173.8070 41 H 4.8162 8.5949 125.0516 54.4919 31.0925 175.8785 42 W 4.2263 8.4556 122.4760 59.0228 28.4282 177.2111 43 R 3.9140 6.2760 117.7300 58.1469 29.9635 177.5856 44 R 3.9150 7.7126 114.8583 58.1752 30.2470 176.0605 45 N 4.9479 7.7039 114.0686 51.3190 41.0927 173.2080 46 D 4.7244 8.1535 117.4638 52.9016 44.0783 175.0195 47 T 4.3439 8.3191 116.2171 60.5952 70.6187 173.2532 48 D 4.6202 8.1844 121.8717 53.6576 42.4681 176.8203 49 E 4.1907 8.6682 118.4080 56.9396 28.8453 175.1032 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 8.41 4.30 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.32 4.40 0.00 1.85 1.79 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.16 4.57 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.87 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 1.51 7.81 6 A 7.93 3.96 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 7.52 3.80 4.47 0.00 0.00 0.00 0.00 0.00 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 8.29 3.94 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.04 3.97 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.68 7.81 10 R 8.23 3.92 0.00 2.02 1.98 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 11 L 8.28 4.00 0.00 1.67 1.72 0.92 1.05 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 12 A 7.99 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 8.26 3.84 0.00 1.83 1.97 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 L 7.82 4.11 0.00 1.90 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.13 4.46 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.13 4.33 0.00 2.86 2.96 0.00 0.00 7.25 6.91 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 17 Q 8.20 4.18 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.22 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 18 N 7.64 4.79 0.00 2.99 2.91 0.00 0.00 7.12 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 19 S 7.23 4.60 0.00 3.97 3.97 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 20 R 7.98 4.35 0.00 1.77 1.84 0.00 3.23 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 21 V 8.16 3.51 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 0.69 0.00 0.00 0.85 0.00 0.00 22 P 0.00 4.21 0.00 2.04 2.22 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.85 0.00 23 A 9.01 3.94 1.40 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 0.00 0.00 24 W 8.30 4.27 0.00 3.62 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 6.96 3.00 1.67 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 0.70 0.00 0.00 -0.69 0.00 0.00 26 M 7.65 3.98 0.00 2.06 2.22 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 2.68 0.00 27 L 7.82 4.04 0.00 1.90 1.76 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.34 4.20 0.00 2.00 1.93 0.00 2.19 0.00 0.00 2.08 0.00 0.00 3.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.56 7.81 29 T 7.52 4.44 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 1.22 0.00 0.00 30 D 8.57 4.31 0.00 2.78 2.75 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 31 E 7.96 3.71 0.00 2.13 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 0.00 2.21 2.25 0.00 *35 R 8.31 3.84 0.00 1.72 1.63 0.00 3.20 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 N 8.23 4.66 0.00 2.63 2.64 0.00 0.00 7.24 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 8.54 4.58 0.00 3.16 3.33 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 4.55 0.00 1.86 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 7.43 3.99 0.00 1.86 1.88 0.00 3.12 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 40 R 8.38 4.51 0.00 1.73 1.79 0.00 3.26 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 H 8.59 4.82 0.00 3.14 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.46 4.23 0.00 3.50 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 6.28 3.91 0.00 0.67 1.23 0.00 2.34 0.00 0.00 2.84 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.00 44 R 7.71 3.91 0.00 1.77 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 7.70 4.95 0.00 2.92 2.75 0.00 0.00 6.69 8.10 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 46 D 8.15 4.72 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 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 8.18 4.62 0.00 2.69 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 8.67 4.19 0.00 2.07 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 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.