NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0655 8.0549 120.3939 61.8224 32.4918 175.3352 2 P 4.2800 0.0000 0.0000 61.5190 31.8783 174.7663 3 L 4.0881 8.5587 121.2653 54.9393 43.0297 178.1902 4 S 4.2788 8.8893 118.6410 61.2187 62.7818 175.6870 5 R 3.8648 8.1840 119.6680 59.0595 29.8518 176.5463 6 T 4.7438 7.5680 104.3556 60.7914 69.7017 175.3439 7 V 3.5945 7.7746 123.4291 66.6469 31.4306 177.5665 8 R 4.1299 7.8875 116.5567 58.3063 30.3095 176.5629 9 C 4.3844 7.8273 115.1351 57.8902 40.5537 173.7713 10 T 4.3113 9.8295 111.9230 61.1151 69.9856 173.2593 11 C 4.8620 8.4795 119.9568 55.4608 41.8300 173.2149 12 I 4.1495 8.2690 121.8668 61.0872 39.7660 174.9473 13 S 4.7010 7.7041 112.0899 56.9701 65.8506 172.5630 14 I 4.7553 8.0254 120.4250 59.4234 40.3544 175.0744 15 S 4.6035 8.2995 115.7549 56.9575 64.0254 173.3553 16 N 4.8013 8.7593 124.2484 53.2512 38.5056 175.0340 17 Q 4.1658 7.5282 118.6848 54.6980 29.3056 174.5163 18 P 4.2021 0.0000 0.0000 63.0411 31.8487 175.6894 19 V 4.0752 8.1537 122.6308 61.0836 32.7732 174.6386 20 N 4.5650 8.6339 126.2856 52.1151 39.0078 173.1077 21 P 4.0356 0.0000 0.0000 66.2573 31.0602 178.0114 22 R 4.2263 8.1519 114.2964 57.2495 30.3697 176.7916 23 S 4.6378 8.7898 114.8108 58.0573 63.5845 173.3683 24 L 4.8387 7.5060 121.2810 53.7959 42.5653 176.1706 25 E 4.3561 9.2642 125.6607 58.4185 30.3864 176.2654 26 K 4.4646 7.4347 115.3231 56.0630 35.6306 173.6003 27 L 5.1416 8.5462 122.7024 53.3663 44.7601 175.0767 28 E 4.7896 9.3444 125.7614 54.6102 32.3083 174.9032 29 I 4.6754 8.3852 124.0820 59.5759 40.2742 175.1100 30 I 4.5093 8.8878 128.8410 58.4062 39.0101 173.4202 31 P 4.7212 0.0000 0.0000 62.2269 31.9252 176.2411 32 A 4.5317 8.7823 122.9979 52.4094 19.1633 176.9301 33 S 4.4735 9.2819 113.5598 57.7175 65.8084 174.8056 34 Q 4.2913 8.4834 118.1561 56.6333 28.5846 176.0103 35 F 4.9963 8.1989 116.7433 57.6629 41.1446 174.1877 36 C 4.6978 7.8911 120.9066 55.0761 45.3643 172.2879 37 P 4.4774 0.0000 0.0000 63.9699 30.7505 175.6640 38 R 4.7629 7.3724 115.0371 54.5913 33.5263 173.9619 39 V 4.2436 8.3373 119.9286 62.6598 32.4557 174.8726 40 E 4.8437 9.3226 127.2293 54.5519 33.0777 174.9189 41 I 5.0082 8.3108 123.2628 59.6000 40.8063 174.2759 42 I 4.9485 8.8229 127.7199 59.4021 40.4086 174.3141 43 A 4.9388 9.1624 129.8220 50.9816 20.9751 175.7152 44 T 4.7451 9.0536 120.1344 62.1974 70.3774 174.8407 45 M 4.7355 8.8279 127.0701 54.8062 32.8030 176.8698 46 K 4.1989 8.5226 119.6870 58.5958 33.1855 178.2255 47 K 4.3209 8.2191 121.1951 56.6155 33.9469 176.9615 48 K 4.1189 9.4904 122.5526 56.5054 28.7963 174.1556 49 G 4.1166 8.0981 102.9061 46.5620 0.0000 172.6411 50 E 4.2896 7.8116 119.9115 55.8232 30.6588 175.8558 51 K 5.2749 8.4116 124.1807 55.2414 36.8225 175.5441 52 R 4.6929 8.9944 117.6004 55.2346 33.4320 173.3950 53 C 5.0221 8.8510 119.3556 56.9728 41.3863 172.7638 54 L 5.0003 8.8946 124.0057 52.6882 43.9964 176.2963 55 N 4.5372 8.5621 119.7648 52.2868 38.3081 174.0448 56 P 4.4204 0.0000 0.0000 65.2836 31.9030 177.9039 57 E 4.0296 8.2743 118.7339 59.2571 29.4931 177.5649 58 S 4.2378 7.3951 110.6146 58.9146 63.0715 174.4066 59 K 4.2892 8.4945 122.3483 58.2384 32.4898 178.8307 60 A 3.9759 7.6488 120.5197 55.4949 18.0894 179.8117 61 I 3.7293 7.6833 117.7230 64.3972 37.4085 178.5775 62 K 3.9985 8.2285 119.6004 59.4327 31.8341 179.0441 63 N 4.4773 8.0832 116.0777 55.4970 38.5290 177.1733 64 L 3.9516 7.5546 122.5037 57.9721 42.2234 178.6767 65 L 3.9956 8.0630 119.0546 57.7709 41.6060 179.7377 66 K 3.9018 7.9582 117.5161 59.3974 32.0517 179.0246 67 A 3.9322 7.8826 120.8853 55.4754 18.1481 179.8103 68 V 3.5627 8.0011 115.5905 66.1621 31.5701 177.7684 69 S 4.3528 8.0729 114.3562 60.8580 62.2988 176.4730 70 K 4.2281 7.6401 125.7275 58.5765 33.2635 181.7173 71 E 4.3074 7.8521 124.0762 55.4456 28.1112 176.8282 *72 M 4.2930 7.6907 120.8645 54.7063 32.1348 176.9772 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 V 8.05 4.07 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 1.01 0.00 0.00 0.94 0.00 0.00 2 P 0.00 4.28 0.00 2.19 1.98 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 3 L 8.56 4.09 0.00 1.73 1.62 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.89 4.28 0.00 3.94 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 5 R 8.18 3.86 0.00 1.78 1.98 0.00 3.21 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 6 T 7.57 4.74 4.27 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 1.23 0.00 0.00 7 V 7.77 3.59 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 0.77 0.00 0.00 1.08 0.00 0.00 8 R 7.89 4.13 0.00 2.13 1.99 0.00 3.25 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 9 C 7.83 4.38 0.00 3.09 3.06 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 0.00 0.00 0.00 10 T 9.83 4.31 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 1.27 0.00 0.00 11 C 8.48 4.86 0.00 3.18 3.04 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 0.00 0.00 0.00 12 I 8.27 4.15 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 1.47 0.76 0.91 0.00 0.00 13 S 7.70 4.70 0.00 3.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 4.76 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 1.30 0.67 0.91 0.00 0.00 15 S 8.30 4.60 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.80 0.00 2.75 2.81 0.00 0.00 7.20 7.69 0.00 0.00 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 Q 7.53 4.17 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 18 P 0.00 4.20 0.00 2.03 2.01 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 19 V 8.15 4.08 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 0.78 0.00 0.00 0.95 0.00 0.00 20 N 8.63 4.57 0.00 2.84 2.70 0.00 0.00 6.92 7.71 0.00 0.00 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 P 0.00 4.04 0.00 2.25 2.33 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 22 R 8.15 4.23 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 S 8.79 4.64 0.00 3.98 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 24 L 7.51 4.84 0.00 1.82 1.59 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.26 4.36 0.00 2.10 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 2.29 2.39 0.00 26 K 7.43 4.46 0.00 1.81 1.83 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.36 7.81 27 L 8.55 5.14 0.00 1.61 1.54 0.98 0.88 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 28 E 9.34 4.79 0.00 1.99 1.81 0.00 0.00 0.00 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 2.25 0.00 29 I 8.39 4.68 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 1.35 0.61 0.92 0.00 0.00 30 I 8.89 4.51 1.88 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 1.29 0.87 0.93 0.00 0.00 31 P 0.00 4.72 0.00 2.08 2.06 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 A 8.78 4.53 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 33 S 9.28 4.47 0.00 4.01 4.04 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 0.00 0.00 0.00 34 Q 8.48 4.29 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.84 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 35 F 8.20 5.00 0.00 3.09 3.01 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 36 C 7.89 4.70 0.00 3.04 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 37 P 0.00 4.48 0.00 2.22 2.15 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 38 R 7.37 4.76 0.00 1.85 2.01 0.00 2.96 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 39 V 8.34 4.24 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 0.80 0.00 0.00 0.97 0.00 0.00 40 E 9.32 4.84 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 41 I 8.31 5.01 2.01 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 1.35 1.25 0.97 0.00 0.00 42 I 8.82 4.95 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 1.16 0.71 0.91 0.00 0.00 43 A 9.16 4.94 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 44 T 9.05 4.75 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 45 M 8.83 4.74 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.73 0.00 46 K 8.52 4.20 0.00 1.68 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.58 7.81 47 K 8.22 4.32 0.00 1.85 1.70 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.47 7.81 48 K 9.49 4.12 0.00 1.85 1.67 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 0.98 7.81 49 G 8.10 4.12 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 0.00 0.00 0.00 50 E 7.81 4.29 0.00 2.09 1.82 0.00 0.00 0.00 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 2.29 0.00 51 K 8.41 5.27 0.00 1.61 1.63 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 52 R 8.99 4.69 0.00 1.80 1.97 0.00 2.76 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 53 C 8.85 5.02 0.00 3.05 3.05 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 54 L 8.89 5.00 0.00 1.47 1.56 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.56 4.54 0.00 2.72 2.72 0.00 0.00 6.66 7.71 0.00 0.00 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 P 0.00 4.42 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 57 E 8.27 4.03 0.00 2.22 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 2.35 2.39 0.00 58 S 7.40 4.24 0.00 3.86 3.96 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 59 K 8.49 4.29 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 60 A 7.65 3.98 1.33 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 0.00 0.00 61 I 7.68 3.73 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 1.64 1.06 0.91 0.00 0.00 62 K 8.23 4.00 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 63 N 8.08 4.48 0.00 2.88 2.86 0.00 0.00 6.81 6.74 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 64 L 7.55 3.95 0.00 1.82 1.83 0.92 0.56 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 65 L 8.06 4.00 0.00 1.96 1.71 0.96 0.58 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 66 K 7.96 3.90 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 67 A 7.88 3.93 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 68 V 8.00 3.56 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 0.83 0.00 0.00 0.97 0.00 0.00 69 S 8.07 4.35 0.00 3.94 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 70 K 7.64 4.23 0.00 1.93 1.69 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.31 7.81 71 E 7.85 4.31 0.00 1.94 1.91 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 2.31 2.39 0.00 *72 M 7.69 4.29 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.