NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3326 8.2544 120.8655 56.3432 31.3048 174.3741 10 V 4.0007 8.4564 123.8296 63.0010 33.4605 175.0713 11 F 4.0669 8.6869 122.4752 58.9776 40.3974 173.3307 12 A 4.7333 7.7275 127.1061 50.1013 22.7848 174.8493 13 A 3.9451 8.5962 121.7131 52.3791 18.6261 177.1474 14 E 4.3311 9.0130 123.2105 58.0048 30.8345 176.0341 15 A 4.6389 7.4377 118.4261 50.6524 22.9874 174.6664 16 L 4.8030 8.3886 119.2859 53.1446 43.1818 176.5137 17 L 4.6000 8.5722 123.7292 55.4948 43.3641 176.3561 18 K 4.7189 7.1838 117.5358 55.6411 35.5016 173.7790 19 R 5.2304 8.9007 123.7279 54.6118 33.3933 174.1290 20 R 4.7463 9.0438 119.9734 54.7714 33.8174 173.5136 21 I 4.8796 8.1129 119.3564 59.4514 40.2725 175.3407 22 R 4.2981 8.5066 126.7478 55.2278 32.3683 175.2398 23 K 4.0192 9.5409 126.0142 57.7622 29.5880 175.5381 24 G 3.9514 8.3116 101.0922 46.1412 0.0000 173.3473 25 R 4.6018 7.5721 118.8400 53.9280 32.7682 174.7183 26 M 4.6728 8.4720 124.4268 55.5117 33.3348 175.0731 27 E 5.1809 9.2089 121.6167 54.8542 34.2655 174.2599 28 Y 5.0217 9.3183 119.8679 56.0542 42.2292 174.6565 29 L 3.6902 8.1158 125.7597 53.8351 43.2536 175.2653 30 V 4.1779 8.2536 127.8642 60.9133 33.4540 174.3792 31 K 4.4748 8.1918 129.7572 54.5818 33.3263 175.4304 32 W 4.8546 8.6618 127.6512 55.2772 30.9309 175.9669 33 K 4.2204 8.7873 126.3997 58.0173 31.9593 177.1307 34 G 3.9239 9.3412 113.8950 45.1642 0.0000 172.7483 35 W 4.6450 7.8189 118.3921 54.1586 32.6095 175.5545 36 S 4.5638 8.6908 116.6716 57.8564 63.5546 174.8633 37 Q 4.1371 8.7023 121.0740 58.4245 28.8932 178.1452 38 K 4.0467 7.9749 116.0913 59.2363 32.0548 177.1051 39 Y 4.5170 8.1375 114.6277 57.7423 38.4439 176.0120 40 S 4.7261 8.0181 118.3431 59.0897 64.1333 173.5044 41 T 4.7654 8.4703 112.6289 59.9181 72.6203 172.7487 42 W 4.9320 8.8677 122.8216 56.5533 30.2554 175.7113 43 E 5.0665 9.4734 123.2382 53.9336 33.9206 173.7462 44 P 5.0903 0.0000 0.0000 61.4854 32.7272 176.6757 45 E 3.9387 9.1320 119.8758 59.4823 29.3898 178.7374 46 E 4.1028 8.2250 114.4421 58.3224 29.8223 176.8473 47 N 4.8322 8.2416 115.8809 53.0690 39.0856 174.4877 48 I 4.5311 7.8289 120.2927 59.6452 39.5483 176.3969 49 L 4.7492 8.3974 127.1614 53.3771 41.6810 178.9243 50 D 4.4873 7.3065 117.6425 51.9106 43.1650 173.8423 51 A 3.9557 8.3446 128.9723 54.7442 18.6055 179.0931 52 R 3.8688 7.9616 116.2293 59.2854 30.3037 178.8775 53 L 3.9046 8.2596 120.0291 58.0330 41.9697 178.9265 54 L 3.7167 8.0907 119.0114 57.7875 41.4834 179.4564 55 A 4.0170 8.4763 120.8164 55.1072 18.0810 179.5309 56 A 3.9637 8.0521 118.5737 55.1549 18.6799 179.2721 57 F 4.0205 8.1671 119.0209 61.4573 39.2492 177.0458 58 E 4.1693 7.9735 117.8154 59.0690 29.4926 178.2817 59 E 4.1572 8.0508 120.3517 58.8217 29.5499 177.6519 *60 R 4.1800 7.2199 120.9139 57.0076 31.7359 177.4282 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 9 R 8.25 4.33 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 10 V 8.46 4.00 2.17 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 0.90 0.00 0.00 0.97 0.00 0.00 11 F 8.69 4.07 0.00 2.96 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 12 A 7.73 4.73 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 13 A 8.60 3.95 0.92 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 0.00 0.00 14 E 9.01 4.33 0.00 2.03 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 2.23 2.24 0.00 15 A 7.44 4.64 1.14 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 0.00 0.00 16 L 8.39 4.80 0.00 1.42 1.11 0.47 0.59 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 17 L 8.57 4.60 0.00 1.24 1.63 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.18 4.72 0.00 1.79 1.46 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.78 1.60 7.81 19 R 8.90 5.23 0.00 1.68 1.89 0.00 3.38 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.00 20 R 9.04 4.75 0.00 1.55 1.60 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.21 0.00 21 I 8.11 4.88 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.87 0.00 0.00 22 R 8.51 4.30 0.00 1.58 1.68 0.00 3.03 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 23 K 9.54 4.02 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.45 7.81 24 G 8.31 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 25 R 7.57 4.60 0.00 1.84 1.83 0.00 3.13 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 26 M 8.47 4.67 0.00 1.69 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 27 E 9.21 5.18 0.00 1.82 2.00 0.00 0.00 0.00 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 2.23 0.00 28 Y 9.32 5.02 0.00 2.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.69 0.00 0.27 0.69 0.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.25 4.18 1.20 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 -1.06 0.00 0.00 0.54 0.00 0.00 31 K 8.19 4.47 0.00 1.81 1.64 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 32 W 8.66 4.85 0.00 3.50 2.92 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 33 K 8.79 4.22 0.00 1.74 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.42 7.81 34 G 9.34 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 0.00 0.00 0.00 35 W 7.82 4.65 0.00 3.43 3.13 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 0.00 0.00 0.00 0.00 36 S 8.69 4.56 0.00 4.14 4.18 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 0.00 0.00 0.00 0.00 37 Q 8.70 4.14 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 38 K 7.97 4.05 0.00 1.74 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 39 Y 8.14 4.52 0.00 3.47 3.18 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 0.00 0.00 0.00 0.00 40 S 8.02 4.73 0.00 3.78 3.73 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 0.00 0.00 0.00 0.00 41 T 8.47 4.77 4.51 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 1.43 0.00 0.00 42 W 8.87 4.93 0.00 3.22 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 43 E 9.47 5.07 0.00 1.90 1.94 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 2.56 2.77 0.00 44 P 0.00 5.09 0.00 2.61 2.25 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 45 E 9.13 3.94 0.00 2.18 2.09 0.00 0.00 0.00 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 2.30 0.00 46 E 8.23 4.10 0.00 2.15 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 2.33 2.32 0.00 47 N 8.24 4.83 0.00 3.04 3.12 0.00 0.00 6.77 7.02 0.00 0.00 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 I 7.83 4.53 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.73 0.00 0.00 49 L 8.40 4.75 0.00 1.64 1.63 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.31 4.49 0.00 2.60 2.41 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 51 A 8.34 3.96 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 52 R 7.96 3.87 0.00 1.97 1.98 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 53 L 8.26 3.90 0.00 1.97 1.73 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.09 3.72 0.00 1.74 1.51 0.86 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.48 4.02 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 56 A 8.05 3.96 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 57 F 8.17 4.02 0.00 3.21 3.23 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 58 E 7.97 4.17 0.00 2.32 2.21 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 2.40 2.52 0.00 59 E 8.05 4.16 0.00 2.08 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 2.34 2.46 0.00 *60 R 7.22 4.18 0.00 1.81 1.66 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.