NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0492 8.0549 120.3918 62.5715 32.9945 175.2848 3 D 4.4409 8.1597 117.6273 50.9246 41.6417 173.5473 4 P 4.9519 0.0000 0.0000 61.1316 34.1679 174.1471 5 V 4.2614 8.4493 121.1248 63.7438 34.0402 177.6330 6 G 3.7198 8.1549 106.0476 47.5139 0.0000 175.4644 7 F 4.2677 8.2716 122.2867 61.3517 39.6366 176.3741 8 A 3.8401 8.3046 119.7012 55.7546 18.0303 179.0521 9 E 3.9365 8.9193 115.9403 59.5747 29.4391 179.7613 10 A 3.9731 8.1154 120.1722 54.6312 18.6100 179.1699 11 W 4.1666 8.4542 127.2187 60.7671 30.3509 178.4897 12 K 4.0886 8.3747 117.6719 58.6692 31.2775 178.2917 13 A 4.2215 7.7387 119.0719 52.6354 18.5485 177.1497 14 Q 3.8983 7.1533 114.3006 56.7468 31.2934 176.4476 15 F 4.7510 7.2798 117.3704 55.0811 38.5979 174.7570 16 P 4.8781 0.0000 0.0000 62.3485 31.1093 176.8751 17 D 4.8642 8.3900 117.4264 52.6078 41.9539 175.0576 18 S 4.6944 7.8240 111.1454 57.3448 65.8909 173.5632 19 E 4.3244 8.5821 120.3420 55.2075 29.9894 175.2343 20 P 3.6813 0.0000 0.0000 61.2547 31.9337 174.7442 21 P 3.9374 0.0000 0.0000 63.1379 31.7221 175.6559 22 R 4.4369 8.0733 120.3585 54.4231 33.1317 175.8143 *24 E 4.0127 8.3797 120.7676 55.9714 30.4791 176.8239 25 L 4.1867 7.6793 119.1358 54.8383 41.8990 176.4967 26 R 4.5049 8.0847 119.5933 56.2758 33.4638 176.2104 27 S 4.5153 7.8151 112.4799 56.2435 64.9554 175.2007 28 V 3.7057 8.1969 123.9748 65.8702 31.4123 178.2497 29 G 3.6377 8.7718 105.9790 47.8743 0.0000 175.4253 30 D 4.3893 7.8614 120.5698 56.9326 41.0124 178.5368 31 I 3.6297 7.6397 120.2773 64.4743 37.1134 177.8721 32 E 3.8898 8.1724 119.1733 59.7270 29.4029 179.1558 33 Q 3.9311 7.8793 118.8333 59.5418 29.1781 178.4793 34 E 3.9315 8.4437 120.2853 59.1213 29.6946 178.4641 35 L 3.9841 8.3465 120.9256 57.9185 42.1074 178.6098 36 E 4.0005 8.3574 119.9665 58.8087 29.5581 178.3195 37 R 4.1997 7.9642 114.6176 57.6922 29.8438 178.3726 38 A 4.0668 7.8848 122.2405 55.0985 18.5965 179.6814 39 K 3.9763 8.0279 116.2317 59.2088 31.8974 179.5200 40 A 4.0530 7.8057 121.0081 54.9685 18.2034 179.9579 41 S 4.1557 7.9359 113.5875 61.7298 62.9697 176.5629 42 I 3.7469 7.8626 122.5167 64.8306 37.1183 178.6976 43 R 4.1394 8.0107 118.3624 58.9053 29.8847 179.1706 44 R 4.0720 7.4973 117.2309 59.2039 30.3250 178.4557 45 L 4.0634 8.6368 119.2043 57.5187 41.4960 179.1482 46 E 3.9374 8.6659 120.0930 59.3024 29.5694 178.6578 47 Q 4.0300 7.7839 118.3836 59.0155 29.1127 177.8273 48 E 4.0333 8.1922 119.5501 58.9789 29.3619 179.3329 49 V 3.6869 7.7355 118.6982 65.8403 31.5413 177.8829 50 N 4.3889 8.0855 116.0661 56.3536 38.3597 177.4204 51 Q 4.0963 8.3432 119.6362 58.8627 28.5492 178.4906 52 E 3.9881 7.9449 119.5191 59.3910 29.8122 178.6826 53 R 4.0998 8.1423 117.3192 59.1850 30.3158 178.5707 54 F 4.5037 8.5275 120.5341 61.1695 39.3499 178.0524 55 R 4.0218 8.0425 115.3810 57.0250 29.5918 178.1152 *57 I 4.0238 7.6891 117.8559 61.0674 39.4987 177.0423 58 Y 4.1160 7.9770 120.5431 61.1296 38.4145 178.6664 59 L 3.6135 8.2013 119.8508 57.4270 41.5313 179.3285 60 Q 3.8605 7.7665 119.4432 59.4962 28.5412 178.3421 61 T 3.9071 7.6714 116.0822 65.8470 68.4014 176.6057 62 L 3.8084 7.2568 121.7245 57.9267 42.3351 178.5874 63 L 4.0414 8.0883 118.6644 58.6183 41.7143 179.0452 64 A 3.4090 8.3299 114.7660 55.2024 18.3066 178.7466 65 K 3.8969 6.7706 122.5639 58.5095 33.0811 178.2295 66 E 4.5762 7.6508 117.9109 55.7855 29.8196 176.0274 67 K 4.1697 7.9909 124.9581 56.6732 33.1462 176.0859 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 2 V 8.05 4.05 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 0.97 0.00 0.00 0.92 0.00 0.00 3 D 8.16 4.44 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.95 0.00 2.29 2.13 0.00 3.47 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 1.93 2.03 0.00 5 V 8.45 4.26 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 1.05 0.00 0.00 0.96 0.00 0.00 6 G 8.15 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 0.00 0.00 0.00 7 F 8.27 4.27 0.00 3.18 3.14 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 8 A 8.30 3.84 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 9 E 8.92 3.94 0.00 2.02 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 2.35 2.60 0.00 10 A 8.12 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.45 4.17 0.00 2.92 3.12 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 0.00 0.00 0.00 12 K 8.37 4.09 0.00 2.02 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.78 7.81 13 A 7.74 4.22 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 14 Q 7.15 3.90 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.09 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 15 F 7.28 4.75 0.00 2.56 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 16 P 0.00 4.88 0.00 2.02 2.06 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.38 0.00 17 D 8.39 4.86 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.82 4.69 0.00 4.14 3.88 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 0.00 0.00 0.00 19 E 8.58 4.32 0.00 1.98 1.92 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 2.33 2.43 0.00 20 P 0.00 3.68 0.00 1.90 1.80 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 21 P 0.00 3.94 0.00 1.83 1.79 0.00 2.41 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 0.00 22 R 8.07 4.44 0.00 1.71 1.76 0.00 3.36 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 *24 E 8.38 4.01 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.58 0.00 25 L 7.68 4.19 0.00 1.63 1.57 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.08 4.50 0.00 1.84 1.91 0.00 3.01 0.00 0.00 3.14 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 27 S 7.82 4.52 0.00 4.03 3.97 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 28 V 8.20 3.71 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 0.98 0.00 0.00 0.92 0.00 0.00 29 G 8.77 3.64 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 0.00 0.00 0.00 30 D 7.86 4.39 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.64 3.63 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.87 0.00 0.00 32 E 8.17 3.89 0.00 2.15 2.01 0.00 0.00 0.00 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 2.54 0.00 33 Q 7.88 3.93 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 34 E 8.44 3.93 0.00 2.15 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 2.26 2.33 0.00 35 L 8.35 3.98 0.00 1.81 1.83 0.91 0.82 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 36 E 8.36 4.00 0.00 2.35 2.02 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 0.00 2.30 2.35 0.00 37 R 7.96 4.20 0.00 2.10 2.16 0.00 2.81 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 38 A 7.88 4.07 1.43 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 0.00 0.00 39 K 8.03 3.98 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.80 7.81 40 A 7.81 4.05 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 41 S 7.94 4.16 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.75 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.93 0.00 0.00 43 R 8.01 4.14 0.00 1.88 1.99 0.00 3.12 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 44 R 7.50 4.07 0.00 2.04 2.09 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 45 L 8.64 4.06 0.00 1.85 1.71 0.93 0.99 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 46 E 8.67 3.94 0.00 2.19 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 2.31 2.36 0.00 47 Q 7.78 4.03 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 48 E 8.19 4.03 0.00 2.21 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 2.30 2.51 0.00 49 V 7.74 3.69 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 1.14 0.00 0.00 0.99 0.00 0.00 50 N 8.09 4.39 0.00 2.98 2.86 0.00 0.00 6.98 8.94 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 51 Q 8.34 4.10 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 52 E 7.94 3.99 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 53 R 8.14 4.10 0.00 2.06 2.05 0.00 3.26 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 54 F 8.53 4.50 0.00 3.15 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.02 0.00 1.97 2.16 0.00 3.20 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 *57 I 7.69 4.02 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.93 0.00 0.00 58 Y 7.98 4.12 0.00 2.51 2.84 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 59 L 8.20 3.61 0.00 1.61 1.58 0.94 0.71 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 60 Q 7.77 3.86 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 61 T 7.67 3.91 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 1.18 0.00 0.00 62 L 7.26 3.81 0.00 1.13 1.50 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.09 4.04 0.00 1.81 1.65 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.33 3.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 6.77 3.90 0.00 1.94 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 66 E 7.65 4.58 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 67 K 7.99 4.17 0.00 1.79 1.61 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.