NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3720 8.3033 121.4811 56.1272 31.8031 177.7262 3 K 3.8492 8.1330 118.1235 59.1754 32.0543 177.5958 4 D 4.3628 8.2366 119.0374 57.1233 41.1569 178.0015 5 L 3.9693 7.8847 120.3260 58.3304 42.1566 178.9019 6 L 4.0580 8.2144 119.0074 57.6996 41.4484 179.0674 7 D 4.4458 8.0067 117.8799 57.3993 40.9905 178.4889 8 K 4.0373 7.8197 117.3590 58.9486 32.0276 178.2388 9 L 4.5196 7.4146 117.1446 53.9094 41.8507 176.5669 10 G 3.8458 9.2640 106.9425 45.9454 0.0000 173.4131 11 Q 4.8331 8.3352 115.9325 55.5457 32.1937 172.6613 12 H 5.0250 8.3923 113.6755 54.4742 32.1467 172.3051 13 L 4.8625 8.4838 118.8207 53.7283 43.5008 176.1819 14 V 4.3713 8.7848 121.6968 60.8428 34.2667 174.3356 15 W 5.4406 8.7366 126.2666 55.1869 32.3509 174.6521 16 R 4.6422 9.1719 121.7727 54.7341 35.1923 173.8649 *18 G 4.0076 8.3669 106.5265 46.0743 0.0000 171.7777 19 R 4.7620 8.7945 120.3181 55.4269 31.0819 175.6564 20 A 4.3288 8.9365 128.3563 52.0905 18.9998 178.3317 21 E 3.9577 9.2659 123.8314 59.7734 29.6773 178.6447 22 D 5.0712 7.8479 114.8336 52.1817 41.2903 177.1537 23 E 4.7806 7.7303 116.4640 56.2739 33.9768 175.9080 24 D 4.7039 8.4144 123.5310 52.7139 39.9208 175.2517 25 V 4.6793 7.1559 120.7091 59.5188 35.7533 174.9335 26 L 4.6424 8.8998 126.1943 54.6551 43.4060 175.2400 27 V 4.6814 8.9638 126.9006 61.2622 33.3048 174.8071 28 V 4.5568 9.0342 128.8012 61.4933 33.4857 174.2645 29 R 5.2421 9.2932 128.2443 54.6801 32.5287 175.9403 30 V 5.1310 7.3506 121.5302 60.2346 35.3280 173.9972 31 G 2.6055 7.3374 107.7400 45.5893 0.0000 172.4285 32 L 4.6020 7.5725 118.9101 54.0104 42.4135 178.4862 33 A 3.8558 8.4518 124.5168 55.1442 18.3904 180.2487 34 S 4.0670 8.0856 108.9987 60.5251 63.1819 174.6991 35 A 4.5600 8.1411 123.7636 52.0316 19.4773 178.4099 36 T 3.9917 8.1712 116.0463 66.7864 68.3392 174.5542 37 P 4.3065 0.0000 0.0000 65.7153 31.8148 178.5999 38 R 4.1401 8.2750 119.5651 58.8720 29.6309 178.4824 39 F 4.0617 8.2706 116.8877 60.6580 38.9271 177.5103 40 R 4.1765 7.6824 115.7498 58.8866 30.1932 178.4660 41 E 4.1557 8.1215 118.6884 58.0873 29.4369 177.4460 42 L 4.2650 7.1617 117.1156 53.4592 42.4467 174.8665 43 P 4.2593 0.0000 0.0000 62.8134 31.7541 176.6230 44 R 3.9994 8.5506 122.2544 56.5765 30.6294 175.7400 45 L 4.8180 8.2726 124.2176 53.5547 43.9949 175.5626 46 L 4.7831 8.6548 121.2308 53.0274 44.0932 176.2102 47 N 4.9797 8.7008 119.9634 53.4538 39.2983 174.3152 48 L 4.7503 8.1425 120.2772 53.2789 43.9747 174.1437 49 P 4.3606 0.0000 0.0000 62.3901 31.9799 177.1197 50 E 3.8562 9.0167 122.6554 59.4889 29.7806 178.3547 51 A 4.1247 7.9516 120.8903 55.0011 18.8953 178.5482 52 E 3.9660 7.9784 115.8942 56.8156 29.4076 178.6002 *54 R 4.1827 8.1763 118.4507 55.8958 32.0505 177.0821 55 R 4.0153 8.0043 117.3436 59.7344 30.0026 178.3735 56 L 3.9962 7.9506 118.5266 57.7872 41.5682 179.8642 57 V 3.6112 7.6932 117.6791 66.1566 31.4373 178.0398 58 Q 4.1244 8.2063 116.4811 58.1800 28.5842 177.4463 59 E 4.4346 8.0671 117.7029 55.5244 29.8812 177.0915 60 G 3.8998 7.7965 107.1579 46.0433 0.0000 175.1192 61 R 4.5655 7.8491 121.4994 54.5788 28.0589 176.1108 62 V 4.9944 7.3531 117.6289 59.9528 35.5061 176.3011 63 R 4.6349 9.0653 123.5208 54.6190 32.7541 174.1203 64 V 4.9041 8.5208 126.0128 61.5997 33.4196 174.6140 65 E 4.8245 9.3403 126.3791 54.2892 33.5127 174.3446 66 W 4.8860 8.8175 133.4574 56.1755 32.1786 175.2859 67 V 3.8166 7.5875 130.5698 61.8435 31.7759 176.2343 68 E 4.3191 8.4788 123.1479 56.0142 30.5239 172.0752 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 E 8.30 4.37 0.00 2.14 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 2.37 2.50 0.00 3 K 8.13 3.85 0.00 2.02 1.93 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.79 7.81 4 D 8.24 4.36 0.00 2.71 2.73 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 5 L 7.88 3.97 0.00 1.78 1.89 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.21 4.06 0.00 1.79 1.88 1.01 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.01 4.45 0.00 2.99 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 8 K 7.82 4.04 0.00 2.01 1.88 0.00 1.65 0.00 0.00 2.02 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 L 7.41 4.52 0.00 1.71 1.71 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.34 4.83 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 12 H 8.39 5.02 0.00 3.21 3.40 0.00 5.44 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.48 4.86 0.00 1.51 1.19 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.78 4.37 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.71 0.00 0.00 15 W 8.74 5.44 0.00 3.12 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 16 R 9.17 4.64 0.00 1.91 1.88 0.00 3.32 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.78 0.00 *18 G 8.37 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.79 4.76 0.00 1.90 1.81 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 20 A 8.94 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.27 3.96 0.00 1.97 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 2.28 2.54 0.00 22 D 7.85 5.07 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.73 4.78 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 24 D 8.41 4.70 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 4.68 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 0.92 0.00 0.00 0.96 0.00 0.00 26 L 8.90 4.64 0.00 1.81 1.60 0.98 0.82 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 27 V 8.96 4.68 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 0.81 0.00 0.00 0.95 0.00 0.00 28 V 9.03 4.56 2.22 0.00 0.00 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 0.00 0.00 1.03 0.00 0.00 29 R 9.29 5.24 0.00 2.01 1.70 0.00 3.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 30 V 7.35 5.13 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 0.56 0.00 0.00 -0.39 0.00 0.00 31 G 7.34 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.60 0.00 1.73 1.59 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.45 3.86 1.05 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 34 S 8.09 4.07 0.00 4.00 4.02 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 0.00 0.00 0.00 35 A 8.14 4.56 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 36 T 8.17 3.99 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 1.14 0.00 0.00 37 P 0.00 4.31 0.00 2.19 2.13 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 38 R 8.28 4.14 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 39 F 8.27 4.06 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 40 R 7.68 4.18 0.00 1.98 2.01 0.00 3.35 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 41 E 8.12 4.16 0.00 2.17 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 2.56 0.00 42 L 7.16 4.27 0.00 1.59 1.56 0.70 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.26 0.00 2.03 2.00 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 44 R 8.55 4.00 0.00 1.78 2.12 0.00 3.23 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 45 L 8.27 4.82 0.00 1.60 1.49 1.00 1.03 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 46 L 8.65 4.78 0.00 1.56 1.56 0.93 0.68 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 47 N 8.70 4.98 0.00 2.61 2.75 0.00 0.00 6.75 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.14 4.75 0.00 1.69 1.58 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.36 0.00 2.20 2.01 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 50 E 9.02 3.86 0.00 1.91 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 2.29 2.26 0.00 51 A 7.95 4.12 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 E 7.98 3.97 0.00 2.05 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 2.31 2.25 0.00 *54 R 8.18 4.18 0.00 2.00 2.13 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 55 R 8.00 4.02 0.00 2.06 2.11 0.00 3.25 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 1.90 1.69 0.00 56 L 7.95 4.00 0.00 1.75 1.89 0.93 0.65 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 57 V 7.69 3.61 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 1.08 0.00 0.00 0.94 0.00 0.00 58 Q 8.21 4.12 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 59 E 8.07 4.43 0.00 2.06 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 2.30 2.48 0.00 60 G 7.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.85 4.57 0.00 1.80 1.91 0.00 3.08 0.00 0.00 3.36 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 62 V 7.35 4.99 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 0.72 0.00 0.00 1.02 0.00 0.00 63 R 9.07 4.63 0.00 1.88 1.80 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 64 V 8.52 4.90 2.16 0.00 0.00 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 1.04 0.00 0.00 65 E 9.34 4.82 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 66 W 8.82 4.89 0.00 3.42 2.96 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 0.00 0.00 0.00 67 V 7.59 3.82 0.93 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 0.02 0.00 0.00 -0.03 0.00 0.00 68 E 8.48 4.32 0.00 1.98 1.64 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 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.