NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.0468 8.1849 122.4693 55.1054 42.5196 175.8115 2 T 4.1403 8.0808 123.7926 61.3284 69.5999 173.0014 3 Y 4.3578 8.0794 125.5483 57.9478 39.6632 174.5231 4 T 4.8366 8.2176 113.2191 59.1993 73.0876 172.5668 5 D 4.8652 8.7140 121.2282 54.8447 41.1948 177.7630 6 C 4.6863 8.8836 121.4298 57.5976 40.5393 173.9681 7 T 4.3339 9.3054 112.0826 61.3226 69.7332 173.7698 8 E 4.7257 7.7190 118.6356 55.1123 32.0134 174.7869 9 S 4.3734 8.4451 116.9782 60.3812 63.4768 175.0747 10 G 3.9965 9.2598 113.1246 45.3965 0.0000 173.8587 11 Q 4.7056 7.6516 119.0892 55.7332 29.8376 175.1693 12 N 5.2730 8.5084 116.9021 52.9718 40.4954 173.2729 13 L 3.6221 8.3029 114.2092 55.4515 39.8967 171.3107 14 C 4.9281 7.2807 109.9357 54.2326 45.8135 173.1425 15 L 4.6479 8.7827 121.5996 54.7633 40.5513 175.6908 16 C 4.5014 8.3545 124.4784 57.2018 43.7441 173.7720 17 E 4.2941 7.8261 128.1400 55.5684 29.4499 176.9676 18 G 3.8661 8.1432 116.9252 47.1607 0.0000 173.2101 19 S 4.7266 8.5623 114.0252 59.0151 63.5636 173.4229 20 N 5.0299 7.5112 116.8984 51.0738 41.3878 175.0839 21 V 3.9238 8.3803 123.8947 63.1054 32.7035 175.7300 22 C 4.5335 9.1844 128.5675 55.2852 39.1348 173.4361 23 G 4.2084 8.2375 114.9114 44.7725 0.0000 171.8079 24 Q 4.2072 8.4690 118.5240 57.4409 29.2421 177.6397 25 G 3.9492 9.1158 108.9995 45.4878 0.0000 172.0057 26 N 5.7328 7.8329 115.9648 51.4529 43.4491 173.0854 27 K 4.7775 9.2264 117.9084 55.9776 36.6669 174.0089 28 C 5.0544 8.9862 122.0824 55.4426 45.1143 172.3568 29 I 4.6407 8.8238 127.9218 59.5936 38.1430 175.1495 30 L 4.5753 8.8539 129.1675 54.5016 42.0211 177.7914 31 G 3.8009 9.0560 111.5787 46.0883 0.0000 174.5945 32 S 4.5336 8.5458 118.7367 57.5654 64.1062 173.0811 33 D 4.5160 7.5520 122.6725 55.9542 41.1857 177.3217 34 G 3.9521 8.8289 112.8405 45.7671 0.0000 172.9536 35 E 4.7125 7.8069 118.5442 54.3444 31.9243 175.6244 36 K 4.5253 8.1868 120.4364 55.4386 33.6325 176.5415 37 N 4.8603 8.6149 119.9238 53.5664 39.8566 174.4842 38 Q 4.6861 8.7841 118.9042 54.4260 33.2206 173.6351 39 C 5.1293 9.8191 124.6366 55.5555 40.8640 173.0391 40 V 4.6881 8.5098 119.7698 59.2348 35.1744 175.6219 41 T 4.5090 8.1266 119.0048 62.6321 69.0435 174.4354 42 G 3.8255 7.5027 113.4646 46.0112 0.0000 172.2658 43 E 4.3180 8.2266 120.7438 54.5259 28.3682 175.4579 44 G 3.9769 8.1412 111.9128 45.6906 0.0000 169.8905 45 T 4.7687 8.5206 115.4116 59.1242 69.8530 171.8746 46 P 5.0425 0.0000 0.0000 61.7218 32.1798 176.1340 47 K 4.0127 8.5450 125.6104 56.0986 32.6162 174.9677 48 P 4.3732 0.0000 0.0000 62.0976 31.9992 176.0804 49 Q 4.1101 8.5618 123.2015 56.2727 30.2728 178.7577 50 S 4.4455 8.3081 118.9015 57.5060 61.9142 173.9661 *54 G 3.7003 8.3804 107.5921 46.2193 0.0000 170.7897 55 D 4.6841 8.8982 119.4603 54.2253 39.6227 176.1268 56 F 4.2926 7.9915 117.4124 56.1654 39.8179 174.9099 57 E 4.0821 8.6939 126.3118 55.7328 30.0872 176.3100 58 E 4.0341 8.8337 125.8586 56.8460 30.0440 176.7484 59 I 4.3417 8.0073 116.4905 58.5038 38.4435 173.7150 60 P 4.3173 0.0000 0.0000 62.7121 31.6777 177.4137 61 E 4.2675 8.9496 120.6258 59.4079 29.4245 178.5047 62 E 3.9244 7.5163 119.2699 56.1654 29.1672 178.3744 *64 L 3.9727 8.0914 120.3622 56.4081 43.7044 177.7864 *65 Q 4.1373 7.5543 122.1669 55.1621 28.7510 180.1735 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 L 8.18 4.05 0.00 1.45 1.48 0.64 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.08 4.14 4.19 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 1.20 0.00 0.00 3 Y 8.08 4.36 0.00 3.02 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 4 T 8.22 4.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 5 D 8.71 4.87 0.00 2.58 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 6 C 8.88 4.69 0.00 2.87 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 9.31 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 8 E 7.72 4.73 0.00 2.13 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 2.27 2.31 0.00 9 S 8.45 4.37 0.00 3.88 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 10 G 9.26 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.65 4.71 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.43 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 12 N 8.51 5.27 0.00 3.04 3.02 0.00 0.00 7.35 6.23 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 13 L 8.30 3.62 0.00 1.83 1.92 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.28 4.93 0.00 3.34 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 15 L 8.78 4.65 0.00 1.86 1.84 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.35 4.50 0.00 2.87 2.94 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 17 E 7.83 4.29 0.00 2.05 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 2.53 2.28 0.00 18 G 8.14 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 0.00 0.00 0.00 19 S 8.56 4.73 0.00 3.87 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 20 N 7.51 5.03 0.00 2.83 2.64 0.00 0.00 6.71 7.56 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 21 V 8.38 3.92 1.68 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 -0.03 0.00 0.00 0.26 0.00 0.00 22 C 9.18 4.53 0.00 2.96 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 23 G 8.24 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 0.00 0.00 0.00 0.00 24 Q 8.47 4.21 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 G 9.12 3.95 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 0.00 0.00 0.00 26 N 7.83 5.73 0.00 2.73 2.76 0.00 0.00 6.45 8.68 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 27 K 9.23 4.78 0.00 1.72 1.92 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.38 7.81 28 C 8.99 5.05 0.00 3.02 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 29 I 8.82 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.91 0.00 0.00 30 L 8.85 4.58 0.00 1.50 1.61 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.06 3.80 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 0.00 0.00 0.00 32 S 8.55 4.53 0.00 4.15 3.85 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 33 D 7.55 4.52 0.00 2.69 2.56 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 0.00 0.00 0.00 34 G 8.83 3.95 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 0.00 0.00 0.00 35 E 7.81 4.71 0.00 2.21 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 2.24 2.24 0.00 36 K 8.19 4.53 0.00 1.63 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 N 8.61 4.86 0.00 2.72 2.74 0.00 0.00 6.73 7.69 0.00 0.00 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 Q 8.78 4.69 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 39 C 9.82 5.13 0.00 2.90 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 40 V 8.51 4.69 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.98 0.00 0.00 41 T 8.13 4.51 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 42 G 7.50 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 43 E 8.23 4.32 0.00 1.91 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 2.21 2.34 0.00 44 G 8.14 3.98 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 0.00 0.00 0.00 45 T 8.52 4.77 4.25 0.00 0.00 0.00 0.00 0.00 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 46 P 0.00 5.04 0.00 2.00 2.01 0.00 3.81 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 47 K 8.54 4.01 0.00 1.81 1.77 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.57 7.81 48 P 0.00 4.37 0.00 2.09 1.97 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 49 Q 8.56 4.11 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 50 S 8.31 4.45 0.00 3.87 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 *54 G 8.38 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.90 4.68 0.00 2.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 4.29 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.69 4.08 0.00 1.94 1.90 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 2.32 2.35 0.00 58 E 8.83 4.03 0.00 2.02 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 2.34 2.34 0.00 59 I 8.01 4.34 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.93 0.00 0.00 60 P 0.00 4.32 0.00 2.20 2.03 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 61 E 8.95 4.27 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 62 E 7.52 3.92 0.00 2.31 2.24 0.00 0.00 0.00 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 2.31 0.00 *64 L 8.09 3.97 0.00 1.88 1.79 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *65 Q 7.55 4.14 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.