NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5735 8.2893 120.3495 55.5038 33.5223 175.1932 2 N 4.7422 8.5017 123.4008 50.1370 41.0330 174.2528 3 K 3.8906 8.5617 120.0642 59.5375 32.5853 179.6048 4 K 3.9024 8.0384 119.4151 59.6403 32.1746 178.5173 5 E 3.9851 8.5220 118.8843 59.0639 29.2507 178.9419 6 L 3.9260 8.0566 120.4877 58.2892 42.0695 179.0823 7 I 3.6707 7.9047 119.6830 64.6377 37.0594 178.1955 8 D 4.3436 8.1689 119.5577 57.3692 40.6237 179.1695 9 R 3.8986 8.1720 118.6600 59.2567 30.0186 179.3164 10 V 3.5793 8.0986 118.1038 65.8816 31.5296 177.8848 11 A 3.9583 8.2978 120.8995 54.9520 18.0445 179.6154 12 K 3.8977 8.0658 118.1743 59.6060 32.1061 179.3499 13 K 3.9771 7.9326 117.4308 59.1358 32.1265 178.5511 14 A 4.3457 8.2501 118.5642 51.4051 19.1158 177.1411 15 G 3.7690 7.7372 105.0775 46.7080 0.0000 173.6338 16 A 4.8120 7.6560 120.5266 49.2858 22.0987 178.0071 17 K 4.1851 8.2486 119.2085 56.0505 33.9766 178.7465 18 K 3.9430 8.7303 122.9134 59.5848 32.0210 179.7059 19 K 4.0044 7.9995 118.5363 60.0614 32.4189 178.8717 20 D 4.3507 7.9839 119.6339 56.8859 40.9129 178.6545 21 V 3.5376 7.7238 118.7988 65.8725 31.5192 178.0051 22 K 3.9474 8.3927 119.8009 59.3227 31.9458 178.4729 23 L 3.9322 7.8896 120.6299 58.3301 42.0026 179.1300 24 I 3.7284 7.9867 119.9110 64.0039 36.9631 178.1573 25 L 3.9006 8.4133 121.6354 58.3537 41.8759 178.8294 26 D 4.3164 8.4717 119.2160 57.6904 40.6332 178.9894 27 T 3.8682 8.1635 116.4633 66.3759 68.3537 176.8660 28 I 3.6446 8.1156 122.2373 64.5076 37.1887 178.4888 29 L 3.8792 8.0346 119.8072 57.7904 41.3046 179.5241 30 E 3.9582 8.4538 118.8580 59.6070 29.3623 179.5468 31 T 3.8487 8.2463 116.2347 66.6017 68.5093 176.8905 32 I 3.6408 7.8441 121.8101 64.5911 37.0825 178.5861 33 T 3.8274 7.9020 116.5297 66.7283 68.1508 176.5274 34 E 3.9467 8.4775 120.4804 59.2774 29.3786 179.2848 35 A 4.0063 8.0006 120.8071 55.2662 18.5022 179.7418 36 L 3.9467 8.1392 117.2757 57.8352 41.4282 179.6211 37 A 4.0839 8.0343 120.0464 54.4937 18.3511 178.7899 38 K 4.3723 7.6707 114.7303 55.9504 32.3619 177.6624 39 G 3.9110 7.8753 107.2601 45.8659 0.0000 173.8548 40 E 4.4072 8.1765 118.8011 55.5778 30.5692 175.9730 41 K 4.6744 8.4857 122.4051 55.1912 34.5588 176.1009 42 V 4.3425 9.0696 125.9222 61.4068 33.6730 173.8307 43 Q 4.8820 8.7734 129.8222 54.5284 30.6366 174.6872 44 I 4.4939 8.8068 128.7550 59.1750 39.3301 175.6530 45 V 3.7784 8.4902 127.3520 64.4758 31.7514 176.3195 46 G 4.0359 9.4053 113.8807 45.8465 0.0000 172.8988 47 F 4.7561 8.4437 120.2204 57.4559 42.2436 175.5225 48 G 3.8089 7.0498 106.8649 45.1978 0.0000 170.3630 49 S 5.2550 7.4750 113.4761 56.4418 66.2412 173.0948 50 F 5.4564 9.4733 121.8234 56.0779 41.2601 174.7606 51 E 5.0308 9.5719 120.7247 55.4726 33.6087 173.9314 52 V 5.0235 8.0747 117.9402 60.0842 34.4135 174.7570 *76 V 3.9500 7.8751 115.3051 60.1036 32.5624 173.6819 77 P 4.6410 0.0000 0.0000 62.8732 32.0334 175.5090 78 K 4.7848 9.4808 122.0988 54.6579 36.1620 174.2710 79 F 5.1339 8.8732 127.3430 56.2651 41.8375 174.3148 80 K 4.1940 8.0725 126.3866 53.4400 33.7332 173.9660 81 P 3.8053 0.0000 0.0000 62.5575 32.0777 176.6427 82 G 3.7701 8.5568 110.1283 45.5335 0.0000 174.9247 83 K 3.9547 8.7848 118.9680 59.4515 32.0503 179.3316 84 A 3.9775 7.9875 120.2903 55.1393 18.2758 179.2664 85 L 3.8961 7.7998 118.1072 58.2485 42.2264 178.9685 86 K 3.8604 7.9795 118.4105 59.6093 31.7842 178.8831 87 E 3.8977 8.2224 118.4887 59.1979 29.6540 178.5583 88 K 4.0835 8.1095 118.5557 58.6622 32.3273 178.0829 89 V 4.0634 7.5342 116.7297 63.3969 32.0274 175.9134 90 K 4.1352 8.0453 123.6281 57.1081 32.1806 175.7526 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 M 8.29 4.57 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.50 4.74 0.00 3.01 2.94 0.00 0.00 6.52 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.56 3.89 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 4 K 8.04 3.90 0.00 1.85 1.92 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 5 E 8.52 3.99 0.00 2.19 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 0.00 2.33 2.47 0.00 6 L 8.06 3.93 0.00 1.75 1.85 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.90 3.67 2.01 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 1.50 0.62 0.90 0.00 0.00 8 D 8.17 4.34 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 3.90 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 10 V 8.10 3.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 11 A 8.30 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.07 3.90 0.00 1.85 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 13 K 7.93 3.98 0.00 1.78 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 14 A 8.25 4.35 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.74 3.77 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 0.00 0.00 0.00 16 A 7.66 4.81 1.21 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 17 K 8.25 4.19 0.00 1.95 1.73 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 18 K 8.73 3.94 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 19 K 8.00 4.00 0.00 1.97 2.06 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 20 D 7.98 4.35 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.72 3.54 2.20 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 0.85 0.00 0.00 0.96 0.00 0.00 22 K 8.39 3.95 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 23 L 7.89 3.93 0.00 1.80 1.78 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.99 3.73 1.92 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 1.39 0.43 0.89 0.00 0.00 25 L 8.41 3.90 0.00 1.71 1.84 0.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.47 4.32 0.00 2.88 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 27 T 8.16 3.87 4.34 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 0.00 0.00 0.00 1.19 0.00 0.00 28 I 8.12 3.64 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.83 0.00 0.00 29 L 8.03 3.88 0.00 1.74 1.64 0.88 0.91 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 30 E 8.45 3.96 0.00 2.15 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 2.30 2.45 0.00 31 T 8.25 3.85 4.33 0.00 0.00 0.00 0.00 0.00 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 32 I 7.84 3.64 1.64 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.46 0.00 0.00 33 T 7.90 3.83 4.36 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 1.19 0.00 0.00 34 E 8.48 3.95 0.00 2.12 1.99 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 2.32 2.44 0.00 35 A 8.00 4.01 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 36 L 8.14 3.95 0.00 1.86 1.77 0.97 0.75 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 37 A 8.03 4.08 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 38 K 7.67 4.37 0.00 1.84 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.62 7.81 39 G 7.88 3.91 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 0.00 0.00 0.00 40 E 8.18 4.41 0.00 1.97 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 2.27 0.00 41 K 8.49 4.67 0.00 1.80 1.72 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.46 7.81 42 V 9.07 4.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 43 Q 8.77 4.88 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 44 I 8.81 4.49 2.27 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 1.02 0.00 0.00 45 V 8.49 3.78 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 0.80 0.00 0.00 0.96 0.00 0.00 46 G 9.41 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.44 4.76 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.05 3.81 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 0.00 0.00 0.00 49 S 7.47 5.25 0.00 3.82 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 50 F 9.47 5.46 0.00 3.13 3.11 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 0.00 0.00 0.00 51 E 9.57 5.03 0.00 1.98 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 0.00 2.18 2.27 0.00 52 V 8.07 5.02 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 1.24 0.00 0.00 1.00 0.00 0.00 *76 V 7.88 3.95 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 0.76 0.00 0.00 0.95 0.00 0.00 77 P 0.00 4.64 0.00 2.29 2.12 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 78 K 9.48 4.78 0.00 1.78 1.65 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.38 7.81 79 F 8.87 5.13 0.00 2.81 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 80 K 8.07 4.19 0.00 1.35 1.45 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.17 7.81 81 P 0.00 3.81 0.00 1.90 1.93 0.00 3.47 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 82 G 8.56 3.77 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 0.00 0.00 0.00 83 K 8.78 3.95 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.47 7.81 84 A 7.99 3.98 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.80 3.90 0.00 1.69 1.72 0.93 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.98 3.86 0.00 2.01 1.82 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.45 7.81 87 E 8.22 3.90 0.00 1.91 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 0.00 2.32 2.36 0.00 88 K 8.11 4.08 0.00 1.89 1.99 0.00 1.88 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 89 V 7.53 4.06 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 0.87 0.00 0.00 0.97 0.00 0.00 90 K 8.05 4.14 0.00 1.96 1.82 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.