NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4384 8.3344 116.8003 58.5035 63.8127 172.4057 2 V 4.2016 8.2593 125.5126 59.2375 33.1764 173.8868 3 C 4.5356 8.8986 123.6711 56.9901 32.8400 171.4874 4 A 4.2590 8.3482 122.8171 51.2618 18.6967 176.6025 5 A 4.6782 8.3033 123.7395 51.8928 21.5802 175.9975 6 Q 4.0995 9.2772 122.1400 58.5706 28.8802 176.6510 7 N 4.7307 7.8240 114.5774 51.5914 39.8549 171.2715 8 C 4.5162 8.2303 124.2844 57.5284 32.4083 174.4012 9 Q 4.0765 8.6854 126.1532 56.7793 28.7872 176.0666 10 R 3.7504 7.1416 115.5482 56.4408 28.2894 174.8637 11 P 4.3040 0.0000 0.0000 62.1379 32.2953 175.9180 12 C 4.8427 8.5953 123.0021 57.5873 32.6945 172.8667 13 K 4.7674 8.3956 125.4616 54.8321 35.6863 176.2361 14 D 4.7082 8.6874 119.0686 54.0597 40.0780 177.1221 15 K 4.4649 8.0344 118.3996 55.9716 32.6371 175.9267 16 V 4.2536 7.6200 119.3821 59.7503 31.6557 175.3043 17 D 4.7975 8.6133 125.1015 54.1465 41.4449 176.0068 18 W 5.0413 8.9375 121.5854 55.2690 32.2638 175.5197 19 V 4.6492 9.0448 114.3558 59.7592 34.6320 174.5452 20 Q 4.7546 8.4022 125.4495 54.3190 31.2801 174.8613 21 C 5.1296 8.7514 121.4192 56.2283 30.4571 172.9419 22 D 4.6656 8.4813 124.7460 54.7536 40.3968 177.8167 23 G 3.8278 8.8961 107.5412 45.5487 0.0000 174.6477 24 G 3.8776 7.5616 116.0219 46.0044 0.0000 174.0941 25 C 4.2342 7.9126 118.5577 60.2136 28.8638 174.4985 26 D 4.4531 8.0854 115.7997 55.1305 38.1896 173.2791 27 E 4.5264 7.4546 119.0979 55.5476 31.6145 175.1971 28 W 5.3335 8.5663 120.8348 55.2371 31.7444 175.2335 29 F 5.4549 9.9796 122.7292 55.1169 42.5135 173.9975 30 H 4.5434 8.5457 117.4648 54.8826 30.0429 176.7620 31 Q 3.8234 8.6383 121.6464 58.9149 28.2584 179.5919 32 V 3.6257 7.5636 120.0754 64.8093 31.5427 178.1484 33 C 4.1841 7.9815 114.0879 59.9319 29.7914 174.9916 34 V 4.3318 7.8650 118.8400 59.7885 32.8958 175.3591 35 G 3.7791 7.4594 108.8302 46.2070 0.0000 173.0895 36 V 4.3414 8.8785 120.8670 61.1241 35.2080 174.9442 37 S 4.7487 8.1661 119.8681 56.0424 65.0079 173.4030 38 P 4.9977 0.0000 0.0000 65.4115 30.2978 178.3029 39 E 4.0571 8.0718 119.1249 59.2375 29.6508 178.1167 40 M 4.0454 8.2360 118.3906 58.2508 32.0741 177.9162 41 A 3.9848 7.9168 119.6689 55.3695 18.7248 178.9193 42 E 4.2041 7.7295 113.1761 57.9422 29.7928 177.3251 43 N 4.8319 7.6738 114.3226 53.1908 40.7072 174.1204 44 E 4.6843 8.4702 115.7510 54.0758 32.9932 174.4922 45 D 4.6274 8.3995 119.9413 53.4874 42.1009 175.2474 46 Y 4.4037 8.6268 128.5403 57.4342 39.5294 173.9158 47 I 4.3444 7.8341 128.0246 59.9155 39.1309 175.5292 48 C 3.8682 7.7051 120.2204 55.7361 31.9760 174.1982 49 I 3.5829 8.1287 119.1027 64.2597 37.5118 176.6121 50 N 4.5666 8.0513 116.3380 56.1355 38.7616 176.2284 51 C 4.0327 7.8904 114.6053 62.1394 28.6251 173.3384 *52 A 4.0445 7.8681 126.6438 52.2885 18.4430 175.9901 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 S 8.33 4.44 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.26 4.20 2.12 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 0.84 0.00 0.00 0.96 0.00 0.00 3 C 8.90 4.54 0.00 3.53 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 4 A 8.35 4.26 0.78 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.30 4.68 1.36 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 0.00 0.00 6 Q 9.28 4.10 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 7 N 7.82 4.73 0.00 2.61 2.70 0.00 0.00 6.85 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 8 C 8.23 4.52 0.00 3.04 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.69 4.08 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 10 R 7.14 3.75 0.00 2.03 1.98 0.00 3.18 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 11 P 0.00 4.30 0.00 1.85 1.87 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 12 C 8.60 4.84 0.00 2.98 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 13 K 8.40 4.77 0.00 1.75 1.66 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 D 8.69 4.71 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.03 4.46 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.40 7.81 16 V 7.62 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.81 0.00 0.00 17 D 8.61 4.80 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.94 5.04 0.00 3.33 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.04 4.65 2.05 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 0.66 0.00 0.00 0.73 0.00 0.00 20 Q 8.40 4.75 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.04 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 21 C 8.75 5.13 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.48 4.67 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 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 25 C 7.91 4.23 0.00 3.08 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 26 D 8.09 4.45 0.00 2.82 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 27 E 7.45 4.53 0.00 1.86 1.60 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 2.29 2.37 0.00 28 W 8.57 5.33 0.00 3.34 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.98 5.45 0.00 2.94 2.97 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 30 H 8.55 4.54 0.00 2.96 2.92 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.64 3.82 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 32 V 7.56 3.63 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 0.78 0.00 0.00 0.88 0.00 0.00 33 C 7.98 4.18 0.00 3.34 3.01 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 0.00 0.00 0.00 34 V 7.87 4.33 2.19 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 0.59 0.00 0.00 1.06 0.00 0.00 35 G 7.46 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.88 4.34 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.16 0.00 0.00 37 S 8.17 4.75 0.00 4.01 3.93 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 38 P 0.00 5.00 0.00 2.28 2.36 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 39 E 8.07 4.06 0.00 2.05 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 0.00 2.37 2.36 0.00 40 M 8.24 4.05 0.00 2.17 2.03 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 2.62 2.59 0.00 41 A 7.92 3.98 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 42 E 7.73 4.20 0.00 2.02 2.04 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 0.00 2.36 2.37 0.00 43 N 7.67 4.83 0.00 2.82 2.84 0.00 0.00 7.06 7.55 0.00 0.00 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 E 8.47 4.68 0.00 1.88 1.85 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 2.23 2.20 0.00 45 D 8.40 4.63 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.63 4.40 0.00 3.04 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.34 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.74 0.00 0.00 48 C 7.71 3.87 0.00 2.62 2.36 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 49 I 8.13 3.58 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.96 0.00 0.00 50 N 8.05 4.57 0.00 2.78 2.88 0.00 0.00 6.95 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.89 4.03 0.00 3.04 2.89 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 *52 A 7.87 4.04 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.