NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8383 8.3549 109.7356 45.3497 0.0000 173.0492 2 K 4.2498 8.3327 118.7658 52.4264 33.0448 174.8271 3 K 4.3261 8.2684 124.0627 55.8948 35.0219 177.0911 4 S 4.5779 8.1612 116.3564 57.0874 66.0634 175.1355 5 K 3.8892 8.4236 121.4763 59.5581 31.8472 178.4042 6 A 3.9774 7.8977 120.5589 55.4579 18.3541 179.5095 7 T 3.8171 7.7535 113.8303 66.6645 68.4949 176.6584 8 K 3.8972 8.2315 121.5389 59.4398 32.1583 178.9874 9 K 3.9775 7.9562 118.6976 59.5383 31.9767 179.5393 10 R 3.9406 8.1018 118.2859 59.2977 30.0099 179.1500 11 L 3.9887 8.3122 118.8618 57.5369 41.5789 179.3518 12 A 3.9800 8.1398 120.8033 55.0692 18.3611 179.4804 13 K 3.8540 8.1358 118.0418 59.8276 32.0497 178.8868 14 L 4.0881 7.8534 117.9029 57.8614 41.8434 178.7698 15 D 4.4653 8.1743 118.0746 57.2592 41.0404 177.8398 16 N 4.3600 8.2711 117.7054 56.7074 38.8159 176.6992 17 Q 4.1849 8.4115 118.1551 57.7373 28.7557 176.8158 18 N 4.7798 7.5184 117.3962 52.8849 39.1319 174.4804 19 S 4.5357 7.2483 114.3867 56.9808 64.7499 173.2632 20 R 4.3154 7.9604 120.5142 54.4662 31.1251 175.7322 21 V 3.5448 8.0437 121.9246 61.7809 32.0162 174.1361 22 P 4.1863 0.0000 0.0000 62.8959 31.7701 176.7469 23 A 3.9363 8.8318 122.7256 55.3940 18.2176 180.2778 24 W 4.2444 8.2441 114.3105 59.6570 27.8914 178.3306 25 V 3.2288 6.7337 118.7633 65.4252 30.7392 178.0187 26 M 4.0031 7.9197 119.0020 58.3441 31.7274 178.6105 27 L 4.0302 7.8455 118.6855 57.6967 41.6983 179.3269 28 K 4.1397 8.4210 118.7967 58.4542 32.2250 177.8650 29 T 4.4475 7.3232 107.4680 60.2667 69.4046 173.5616 30 D 4.3029 8.5211 120.0358 55.4168 39.2412 170.6841 31 R 3.8797 7.8147 122.5744 55.5898 30.8679 176.5412 *35 R 3.8340 8.3057 119.2785 56.0407 30.8689 174.7048 36 N 4.6420 8.2228 121.2826 52.0711 38.9089 174.4252 37 H 4.5291 8.4835 122.1853 57.0999 29.0748 176.4342 38 K 4.5537 8.0046 118.6281 55.9408 32.1967 176.5501 39 R 3.9778 7.4424 117.9685 56.2792 30.2755 176.4132 40 R 4.4470 8.3151 121.9082 54.6551 32.4930 173.8699 41 H 4.6577 8.6104 125.5849 54.8594 30.8584 176.0294 42 W 4.2184 8.3157 122.6505 59.1769 28.4578 177.4217 43 R 3.7812 6.1938 117.9529 58.4577 29.7374 177.6355 44 R 3.9422 7.6886 114.7428 58.0134 30.3092 176.0163 45 N 4.9770 7.7379 113.9718 51.2253 41.2137 173.2008 46 D 4.7769 8.2215 117.8298 52.7515 43.9313 175.2567 47 T 4.3432 8.3228 116.3120 60.5575 70.5789 173.3131 48 D 4.6081 8.1904 121.9280 54.0095 42.3683 176.8164 49 E 4.1413 8.6463 118.4131 57.0388 28.9118 174.9011 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 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.25 0.00 1.80 1.75 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 1.33 1.43 7.81 3 K 8.27 4.33 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 4 S 8.16 4.58 0.00 4.06 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 3.89 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.90 3.98 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 7.75 3.82 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 K 8.23 3.90 0.00 1.92 2.01 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 1.43 1.48 7.81 9 K 7.96 3.98 0.00 2.03 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 1.72 7.81 10 R 8.10 3.94 0.00 2.03 1.98 0.00 3.36 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 1.80 0.00 11 L 8.31 3.99 0.00 1.80 1.72 0.92 0.94 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 12 A 8.14 3.98 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 8.14 3.85 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.85 4.09 0.00 1.85 1.74 0.94 0.97 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 15 D 8.17 4.47 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.36 0.00 2.85 2.95 0.00 0.00 7.22 6.34 0.00 0.00 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 8.41 4.18 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.12 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 18 N 7.52 4.78 0.00 3.01 2.88 0.00 0.00 7.13 7.77 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 19 S 7.25 4.54 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.32 0.00 1.77 1.83 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 1.51 1.56 0.00 21 V 8.04 3.54 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 0.84 0.00 0.00 22 P 0.00 4.19 0.00 1.59 2.11 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.69 0.00 23 A 8.83 3.94 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 8.24 4.24 0.00 3.60 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 6.73 3.23 1.73 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 0.75 0.00 0.00 -0.62 0.00 0.00 26 M 7.92 4.00 0.00 2.04 2.19 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 2.56 2.84 0.00 27 L 7.85 4.03 0.00 1.93 1.77 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.42 4.14 0.00 2.08 2.01 0.00 2.12 0.00 0.00 2.10 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.56 7.81 29 T 7.32 4.45 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 8.52 4.30 0.00 2.78 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 31 R 7.81 3.88 0.00 1.98 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 8.31 3.83 0.00 1.73 1.64 0.00 3.20 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 1.48 1.59 0.00 36 N 8.22 4.64 0.00 2.63 2.65 0.00 0.00 7.23 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 8.48 4.53 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 8.00 4.55 0.00 1.87 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 7.44 3.98 0.00 1.83 1.87 0.00 3.13 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 1.68 0.00 40 R 8.32 4.45 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.61 4.66 0.00 3.16 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.32 4.22 0.00 3.51 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 6.19 3.78 0.00 0.67 1.25 0.00 2.45 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.00 44 R 7.69 3.94 0.00 1.76 1.90 0.00 3.31 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 45 N 7.74 4.98 0.00 2.91 2.73 0.00 0.00 6.69 8.18 0.00 0.00 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 8.22 4.78 0.00 2.58 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 8.32 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 1.25 0.00 0.00 48 D 8.19 4.61 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 8.65 4.14 0.00 2.13 2.10 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.