NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4021 8.2893 120.3496 55.7855 33.6169 174.6497 2 Q 4.4141 8.5238 122.7351 55.1503 30.2275 172.7864 3 S 5.0873 8.6944 115.1082 57.0940 65.7968 174.4516 4 I 4.7290 8.9343 127.8709 59.5002 41.2742 175.2817 5 N 5.2877 8.8614 126.3803 52.4702 38.4963 176.5933 *6 F 3.9460 8.6295 118.8155 62.2017 38.0694 174.4413 7 R 4.1912 8.1413 121.6839 59.7729 29.6698 178.6701 8 T 4.2862 7.3370 112.1571 64.2725 69.0878 180.0249 9 A 4.4008 7.7494 123.6490 56.5031 18.5645 180.5918 10 R 4.0125 7.9062 118.5627 61.3977 29.5268 180.8171 11 G 4.2096 7.5668 105.8683 47.1689 0.0000 174.8048 *12 N 5.0429 7.9443 117.5379 50.8623 39.7070 181.8224 13 L 4.0441 7.9270 124.7516 59.0704 41.7634 178.3228 14 S 4.0866 8.1409 112.6697 61.8415 62.1275 176.1752 15 E 3.9994 8.1222 120.2040 58.9088 29.1081 179.4117 16 V 3.5752 7.6048 118.7123 66.0831 31.5693 178.1515 17 L 4.0282 8.0427 118.6989 57.6920 40.1057 178.8717 18 N 4.1991 7.8826 116.6596 56.5853 38.5464 176.6396 19 N 4.6063 8.0050 116.4232 54.8025 38.8743 177.8543 20 V 3.8563 7.4017 121.5798 65.4138 31.4787 177.6186 21 E 3.9445 8.7970 117.9436 58.6409 29.4780 177.5950 22 A 4.7739 7.1680 118.6680 51.1199 19.0914 177.0676 23 G 4.4057 7.6089 106.6136 42.8035 0.0000 172.6767 24 E 4.1191 9.1478 128.2350 55.9072 31.2091 175.8214 25 E 4.5428 8.7016 124.8068 55.2477 29.8786 175.4914 26 V 4.1672 8.4191 125.9534 61.4723 33.6479 174.1467 27 E 5.3682 8.4989 128.3809 54.0457 31.7018 174.7473 28 I 4.8369 8.3627 129.1266 60.3600 38.0245 174.7067 29 T 4.7577 8.8122 118.7987 60.3924 71.1200 174.1599 30 R 4.7577 8.1992 118.7833 54.1560 33.5855 174.9180 31 R 3.9618 8.5769 120.6944 58.2615 28.2794 175.9983 32 G 4.0491 8.7759 112.6101 44.7629 0.0000 171.6951 33 R 4.5507 7.2491 119.9720 54.5687 32.1737 176.6889 34 E 4.1456 8.4126 115.6663 55.6832 30.3009 176.2122 35 P 4.6878 0.0000 0.0000 62.4007 32.6982 175.3167 36 A 4.8083 8.3533 123.5429 50.2079 22.9129 175.3809 37 V 4.5557 7.9851 117.6728 61.7619 34.4788 174.1194 38 I 4.4021 9.9031 130.2328 59.5829 38.9343 174.5604 39 V 4.9589 8.1335 128.6540 59.1921 34.8499 175.7369 40 S 4.1793 8.6583 116.5195 58.3932 63.6122 174.6840 41 K 3.8405 9.1556 125.1781 59.9956 30.9145 178.3384 42 A 3.9293 8.1048 120.1569 55.8278 18.0834 179.6071 43 T 3.8044 7.8363 113.6473 66.4258 68.6220 177.1475 44 F 4.2617 8.0815 122.0548 61.3871 39.5260 176.6087 45 E 3.1850 8.5489 118.1519 59.1536 29.0704 179.0684 46 A 4.0563 7.0568 120.7745 54.3794 18.8637 178.8281 47 Y 4.2664 7.1754 114.5547 61.2657 38.0890 178.4653 48 K 3.7502 7.8986 119.9920 59.3286 32.4502 178.1764 49 K 3.9827 7.7788 119.3612 58.3570 32.0543 176.3990 50 A 4.3000 7.7717 121.5912 52.3718 18.5507 176.4478 51 A 4.6437 8.3027 128.7916 51.4272 22.6292 178.0016 52 L 4.6387 7.0407 117.4305 56.4701 45.5949 175.8283 53 D 4.9117 8.6602 116.4039 53.4779 41.5662 175.6252 54 A 4.6481 8.4864 124.3093 51.6779 19.8761 175.8262 55 E 4.1471 8.1348 121.9589 57.1712 29.5059 176.8725 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 4.40 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 2 Q 8.52 4.41 0.00 2.25 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 3 S 8.69 5.09 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.93 4.73 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 1.28 0.61 0.91 0.00 0.00 5 N 8.86 5.29 0.00 2.90 2.98 0.00 0.00 6.86 8.12 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 *6 F 8.63 3.95 0.00 2.31 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 0.00 0.00 0.00 0.00 7 R 8.14 4.19 0.00 1.86 1.95 0.00 3.13 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 8 T 7.34 4.29 4.24 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 0.00 0.00 1.21 0.00 0.00 9 A 7.75 4.40 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 10 R 7.91 4.01 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 11 G 7.57 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 *12 N 7.94 5.04 0.00 2.65 2.70 0.00 0.00 6.51 6.08 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 13 L 7.93 4.04 0.00 1.69 1.70 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.09 0.00 3.92 3.86 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 15 E 8.12 4.00 0.00 2.02 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 2.55 2.31 0.00 16 V 7.60 3.58 2.14 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 1.03 0.00 0.00 0.97 0.00 0.00 17 L 8.04 4.03 0.00 1.71 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.88 4.20 0.00 2.94 2.89 0.00 0.00 6.98 6.80 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 19 N 8.00 4.61 0.00 2.82 2.86 0.00 0.00 6.67 8.56 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 20 V 7.40 3.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.07 0.00 0.00 21 E 8.80 3.94 0.00 1.96 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 2.33 2.33 0.00 22 A 7.17 4.77 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 23 G 7.61 4.41 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 0.00 24 E 9.15 4.12 0.00 2.19 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 2.32 2.35 0.00 25 E 8.70 4.54 0.00 1.91 1.95 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 2.33 2.33 0.00 26 V 8.42 4.17 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 0.91 0.00 0.00 0.97 0.00 0.00 27 E 8.50 5.37 0.00 2.10 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 2.20 2.43 0.00 28 I 8.36 4.84 1.86 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 1.10 0.90 0.00 0.00 29 T 8.81 4.76 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 1.20 0.00 0.00 30 R 8.20 4.76 0.00 1.84 2.01 0.00 2.96 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 31 R 8.58 3.96 0.00 1.79 1.92 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 32 G 8.78 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 0.00 0.00 0.00 33 R 7.25 4.55 0.00 1.83 1.84 0.00 3.33 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 34 E 8.41 4.15 0.00 1.98 1.74 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 2.23 1.91 0.00 35 P 0.00 4.69 0.00 1.95 2.05 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 36 A 8.35 4.81 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 37 V 7.99 4.56 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 0.85 0.00 0.00 0.91 0.00 0.00 38 I 9.90 4.40 1.85 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 1.28 1.25 0.96 0.00 0.00 39 V 8.13 4.96 2.18 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 0.94 0.00 0.00 1.09 0.00 0.00 40 S 8.66 4.18 0.00 4.03 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 0.00 41 K 9.16 3.84 0.00 1.88 1.89 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.61 7.81 42 A 8.10 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 44 F 8.08 4.26 0.00 3.23 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 45 E 8.55 3.19 0.00 2.23 1.95 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 2.39 2.50 0.00 46 A 7.06 4.06 1.24 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 0.00 0.00 0.00 0.00 0.00 47 Y 7.18 4.27 0.00 2.94 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 48 K 7.90 3.75 0.00 0.79 1.49 0.00 1.95 0.00 0.00 1.36 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.26 7.81 49 K 7.78 3.98 0.00 1.93 1.88 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.43 7.81 50 A 7.77 4.30 1.25 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 0.00 0.00 0.00 51 A 8.30 4.64 1.26 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 0.00 0.00 0.00 52 L 7.04 4.64 0.00 1.72 1.39 0.92 0.93 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 53 D 8.66 4.91 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.65 1.26 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 0.00 0.00 0.00 55 E 8.13 4.15 0.00 1.95 1.88 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 2.31 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.