NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5976 8.2893 118.1914 55.0029 32.7511 175.5930 2 T 3.9719 8.3047 111.4050 61.1119 70.8813 174.2140 3 Q 4.0327 9.3715 122.2903 59.2925 28.6552 180.5154 4 L 4.0043 7.8419 119.4651 57.6250 41.7380 178.9049 5 E 3.9472 8.2305 119.3625 59.3059 29.5954 178.5217 6 E 3.9504 8.6552 119.7879 59.1014 29.6930 178.2573 7 Q 3.9477 8.0581 119.7372 59.5250 29.0701 178.8334 8 L 4.0120 7.6234 118.8279 57.9495 41.5525 178.9415 9 H 4.1622 8.4301 118.2939 59.3301 29.8018 177.0893 10 N 4.2509 8.7693 118.6342 56.2791 38.3764 177.6390 11 V 3.5728 7.7475 119.6134 65.8156 31.5487 177.6988 12 E 3.9050 8.2653 119.0963 59.5633 29.4651 178.8494 13 T 3.7827 8.0320 116.0359 66.7074 68.4584 176.7179 14 V 3.5525 7.7579 120.0434 65.8708 31.5229 177.9897 15 R 3.8516 8.0065 118.4021 59.7098 29.9829 178.7861 16 S 4.1718 8.3551 115.2043 61.5720 62.7043 176.8074 17 I 3.7724 8.0051 122.7530 64.5154 36.8361 178.5426 18 T 3.8693 8.1384 116.8123 66.9044 68.2885 176.5418 19 M 4.0529 8.1021 120.5428 58.3820 31.9519 178.4926 20 Q 3.9547 8.0996 119.6846 59.1484 29.2064 178.2146 21 L 3.9429 8.2882 121.6381 58.2398 42.1164 178.7797 22 E 3.9824 8.3133 118.5101 59.7097 29.2986 179.2995 23 M 4.0503 8.2490 118.5078 58.3181 31.9485 178.6424 24 A 4.0013 8.2067 120.9970 55.1448 18.5032 179.7386 25 L 3.9389 8.1361 117.5748 58.0336 41.5802 179.7031 26 T 3.8313 8.0442 115.8074 66.4715 68.3662 176.3670 27 K 3.8561 8.3225 121.6491 59.4771 32.2625 178.0972 28 L 3.9679 8.1596 123.2099 58.9858 41.8271 179.8928 29 K 4.0409 8.1763 125.4896 60.4247 31.6315 181.5006 30 K 4.1399 8.2881 125.6581 59.8456 31.3544 180.8234 31 D 4.5512 8.2633 119.5237 57.1667 40.5752 178.2047 32 M 4.2082 8.3051 121.1978 59.7194 32.1401 178.8529 33 M 4.3545 8.2168 120.8844 59.0769 31.6271 179.6929 34 R 4.9463 7.4106 119.0240 59.4844 31.1643 181.4932 35 G 4.2380 7.2636 106.9477 47.0140 0.0000 176.1848 *42 Q 4.3058 8.3102 120.4543 55.2967 30.5783 177.7016 43 V 3.8546 7.7536 119.1088 65.5397 31.5077 178.4980 *44 W 4.0488 7.9463 122.4692 61.1359 28.3342 182.2122 45 Q 4.3193 8.1483 122.7929 59.3397 28.1465 180.7929 46 R 3.9453 7.6932 120.0893 61.1881 29.4675 180.2383 47 E 4.1229 7.9226 119.9853 59.2587 29.4483 179.1648 48 S 4.1566 8.2990 114.4414 61.3921 63.0174 176.5700 49 K 4.1208 8.3098 122.1007 59.1826 31.7375 179.1802 50 A 4.0097 8.2480 121.1662 54.9614 18.2266 179.5299 51 L 3.9309 8.0164 117.8013 58.0178 41.7332 179.6072 52 E 3.9573 8.3712 117.5047 59.6180 29.3910 179.3113 53 S 4.0914 8.1895 115.8591 61.2121 62.7891 176.5904 54 A 4.0351 8.3599 125.9663 55.8285 18.1631 180.3280 55 I 3.6356 7.9775 118.5545 65.0964 35.2748 179.8756 56 A 4.1697 8.3734 121.9640 55.1236 18.2935 179.5406 57 I 3.7269 7.5412 116.6954 65.8616 37.3611 176.4593 58 I 4.4618 7.4059 122.8813 61.9626 38.7083 173.1554 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 4.60 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 2 T 8.30 3.97 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 3 Q 9.37 4.03 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 4 L 7.84 4.00 0.00 1.69 1.72 0.92 0.85 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 5 E 8.23 3.95 0.00 2.05 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 0.00 2.30 2.32 0.00 6 E 8.66 3.95 0.00 2.16 2.06 0.00 0.00 0.00 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 7 Q 8.06 3.95 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 8 L 7.62 4.01 0.00 1.96 1.71 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.43 4.16 0.00 3.25 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.77 4.25 0.00 2.92 2.84 0.00 0.00 6.67 7.54 0.00 0.00 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 V 7.75 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 12 E 8.27 3.91 0.00 2.12 2.06 0.00 0.00 0.00 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 2.50 0.00 13 T 8.03 3.78 4.26 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 1.17 0.00 0.00 14 V 7.76 3.55 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 1.06 0.00 0.00 0.96 0.00 0.00 15 R 8.01 3.85 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 S 8.36 4.17 0.00 4.00 3.89 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 17 I 8.01 3.77 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 1.51 0.82 0.91 0.00 0.00 18 T 8.14 3.87 4.43 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 1.21 0.00 0.00 19 M 8.10 4.05 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 20 Q 8.10 3.95 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 21 L 8.29 3.94 0.00 1.86 1.81 0.92 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 22 E 8.31 3.98 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 2.48 2.49 0.00 23 M 8.25 4.05 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 24 A 8.21 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.94 0.00 1.86 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.04 3.83 4.42 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 1.21 0.00 0.00 27 K 8.32 3.86 0.00 1.80 1.95 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.45 7.81 28 L 8.16 3.97 0.00 1.90 1.87 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.18 4.04 0.00 1.82 1.80 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 30 K 8.29 4.14 0.00 1.74 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.37 7.81 31 D 8.26 4.55 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.31 4.21 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 33 M 8.22 4.35 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 34 R 7.41 4.95 0.00 1.86 1.82 0.00 3.21 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 35 G 7.26 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 0.00 0.00 0.00 0.00 *42 Q 8.31 4.31 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 43 V 7.75 3.85 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 1.02 0.00 0.00 0.93 0.00 0.00 *44 W 7.95 4.05 0.00 2.55 2.27 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 0.00 45 Q 8.15 4.32 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 46 R 7.69 3.95 0.00 1.86 1.93 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 47 E 7.92 4.12 0.00 2.30 2.03 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 2.30 2.36 0.00 48 S 8.30 4.16 0.00 4.08 4.11 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 49 K 8.31 4.12 0.00 1.99 1.90 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.60 7.81 50 A 8.25 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.93 0.00 1.84 1.73 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.37 3.96 0.00 2.19 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 2.48 2.45 0.00 53 S 8.19 4.09 0.00 4.05 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 54 A 8.36 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.64 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 1.45 0.70 0.91 0.00 0.00 56 A 8.37 4.17 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 57 I 7.54 3.73 2.03 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 1.52 0.45 0.91 0.00 0.00 58 I 7.41 4.46 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 1.44 0.32 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.