NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6620 8.3649 120.3168 54.0034 40.9210 173.7638 3 E 4.3906 9.3934 123.1309 56.8159 26.8139 177.1287 4 G 3.8537 9.1910 106.5529 47.7647 0.0000 175.3531 5 I 3.7499 7.7444 121.4042 64.5481 37.3464 178.1917 6 S 4.1882 8.0180 115.4029 61.5872 62.6337 176.5669 7 K 3.9233 8.3394 122.4734 59.5528 32.0573 178.8188 8 K 3.9383 8.1239 118.6507 59.4426 31.8962 179.0620 9 F 4.0610 8.8405 120.9402 61.2504 39.2977 176.9645 10 A 3.9372 8.7243 120.6961 55.1926 18.1881 179.6686 11 I 3.6047 8.0351 118.7973 64.5727 37.1579 178.7519 12 Q 4.1744 7.7914 119.5897 58.4847 28.3669 178.1035 13 L 3.6497 7.6749 122.5696 57.8854 41.9781 178.9549 14 L 3.9598 7.9362 118.9064 57.8967 41.4741 179.4582 15 E 3.9162 8.1590 118.5104 59.3522 29.3692 178.9460 16 D 4.3749 8.2750 118.3019 57.3329 41.3018 177.9199 17 D 4.3160 8.4935 119.6899 57.1799 40.8053 178.3903 18 A 3.9812 8.1339 121.3814 55.4631 18.1309 179.3993 19 E 3.9188 7.7507 114.9386 59.8202 29.6212 179.6010 20 R 4.0660 7.7565 116.7788 59.2937 30.3879 178.9643 21 I 3.9535 7.9415 119.6307 63.9823 37.1141 179.8273 22 K 4.2390 8.3932 119.5463 56.3257 32.0642 179.1496 *24 L 4.2748 7.9451 120.6806 55.0667 43.8677 179.5812 25 I 3.6957 7.9651 119.1346 64.4634 36.9276 178.5154 26 R 3.9019 8.2815 119.2974 59.5518 29.7411 178.7292 27 N 4.2972 8.1246 114.5858 56.0928 39.2478 175.7412 28 Q 4.2518 7.8860 120.0958 57.6091 29.2419 177.4422 29 K 4.1029 8.1733 118.8307 58.4722 32.4037 177.3080 30 N 4.7630 8.2327 115.1059 52.8383 38.5375 174.9400 31 S 4.2414 7.5714 114.0850 58.4717 62.9638 174.2327 32 L 4.5821 8.3877 126.4014 55.1227 41.8249 178.1535 33 C 4.0402 7.7110 120.6322 62.9813 31.3723 175.7223 34 I 3.7344 7.6590 120.4536 64.4336 36.8477 178.3586 35 S 4.1358 8.1250 115.4654 62.0008 62.8219 176.8012 36 Q 4.1408 8.3399 120.5654 59.0392 28.3969 178.5726 37 C 4.2503 8.0005 117.3852 62.8690 28.1155 176.3845 38 K 4.0126 8.4108 120.0088 59.1654 31.6331 179.1694 39 A 3.9954 8.5517 121.5484 55.2395 18.2892 179.5034 40 F 4.2385 8.2025 118.6870 61.4231 39.5480 176.5502 41 E 3.6661 8.1059 119.0588 59.6356 29.3554 178.6889 42 E 3.8811 8.3102 119.0899 59.0577 29.6621 178.7780 43 V 3.5400 7.8018 118.4101 65.9616 31.3301 178.2239 44 V 3.3831 7.2361 116.5596 65.9790 31.4352 177.0745 45 D 4.6818 7.5819 117.1739 58.1456 41.0662 179.0859 46 T 4.1365 7.8335 115.5829 66.5527 68.3717 177.0733 47 Q 3.8998 8.3258 116.1415 57.4726 28.3719 177.7536 *49 Y 4.3832 7.8841 120.4360 58.0855 40.1666 177.8201 50 G 3.6476 8.3128 106.4026 47.6570 0.0000 175.6662 51 F 4.2611 8.3168 123.2684 61.1635 39.5184 177.0472 52 S 3.6397 8.1139 112.2941 61.2844 61.9915 175.8128 53 R 3.8618 8.2521 121.6116 59.6297 29.7035 178.5544 54 Q 4.0443 7.7562 117.3836 58.7930 28.6892 178.5954 55 V 3.3867 7.3911 119.4465 66.4203 31.4259 178.0880 56 T 3.8255 7.7729 115.0928 66.8772 68.3809 175.8970 57 Y 4.3033 8.2820 121.2005 60.7941 38.9170 177.9803 58 A 3.8091 8.3661 122.0684 55.3543 17.9028 179.7941 59 T 4.1795 7.9671 115.6415 66.4037 68.3081 177.1472 60 R 3.9930 7.9853 118.9421 59.0396 30.1673 178.4605 61 L 4.2397 7.4833 116.4455 55.2624 41.9593 177.9369 62 G 3.9809 7.7195 106.9679 45.1006 0.0000 174.6676 63 I 3.8188 7.4663 120.5536 63.2364 37.4074 176.4197 64 L 4.8832 7.5031 119.0774 52.7443 44.2261 176.1799 65 T 4.2539 9.1261 113.1278 61.0983 70.9611 175.5899 66 N 4.2668 8.6542 118.7757 56.8085 38.5294 177.3341 67 D 4.3512 8.0324 119.4763 57.2868 41.0009 178.3360 68 E 4.0287 8.1841 119.1590 59.4867 29.6427 179.5648 69 G 3.7563 8.1536 106.9465 47.5638 0.0000 175.1081 70 H 4.1696 8.5307 121.1750 58.6436 29.8180 177.1540 71 R 3.8146 8.4971 120.9411 59.4832 29.9396 178.1933 72 L 4.0065 7.8695 118.5276 58.1159 41.6307 179.6926 73 L 3.9646 7.7075 118.0872 57.8425 41.5352 179.5444 74 S 4.0022 8.4372 113.4998 61.3941 62.2480 176.0255 75 D 4.3651 8.4596 122.0872 57.2867 40.5744 178.7265 76 L 3.9936 7.9278 119.5267 57.7428 41.4964 179.0632 77 E 3.9122 8.4089 119.5167 59.3078 29.2927 178.9220 78 R 3.8800 7.8637 117.6973 59.3231 30.3790 177.7034 79 E 4.0668 8.2019 119.1602 59.4059 29.4152 178.7768 80 L 4.0345 7.8241 117.7950 57.1989 41.6110 178.1353 81 N 4.7734 7.5159 114.5530 52.5982 39.2678 175.1301 82 Q 3.9174 8.1511 126.1506 56.6061 29.5342 173.5299 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 D 8.36 4.66 0.00 2.84 2.75 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 0.00 0.00 0.00 3 E 9.39 4.39 0.00 2.26 2.33 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 2.21 2.43 0.00 4 G 9.19 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 5 I 7.74 3.75 1.95 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 1.66 0.51 0.92 0.00 0.00 6 S 8.02 4.19 0.00 4.03 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 7 K 8.34 3.92 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 8 K 8.12 3.94 0.00 2.15 1.89 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.58 7.81 9 F 8.84 4.06 0.00 3.11 3.25 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 10 A 8.72 3.94 1.42 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 0.00 0.00 0.00 11 I 8.04 3.60 1.85 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 1.56 0.87 0.88 0.00 0.00 12 Q 7.79 4.17 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 13 L 7.67 3.65 0.00 0.90 1.47 0.83 0.74 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 14 L 7.94 3.96 0.00 1.92 1.66 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.16 3.92 0.00 2.12 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 2.30 2.40 0.00 16 D 8.27 4.37 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.32 0.00 2.91 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 18 A 8.13 3.98 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 19 E 7.75 3.92 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 2.54 2.49 0.00 20 R 7.76 4.07 0.00 1.94 1.99 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 21 I 7.94 3.95 1.97 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 1.70 0.99 0.91 0.00 0.00 22 K 8.39 4.24 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.63 7.81 *24 L 7.95 4.27 0.00 1.89 1.75 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.97 3.70 1.98 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 0.85 0.91 0.00 0.00 26 R 8.28 3.90 0.00 1.81 1.99 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 27 N 8.12 4.30 0.00 2.71 2.98 0.00 0.00 6.85 7.08 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 28 Q 7.89 4.25 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 29 K 8.17 4.10 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 30 N 8.23 4.76 0.00 2.78 2.83 0.00 0.00 6.94 7.58 0.00 0.00 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 S 7.57 4.24 0.00 3.94 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 32 L 8.39 4.58 0.00 1.77 1.64 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.71 4.04 0.00 2.95 2.91 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 0.00 0.00 0.00 34 I 7.66 3.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.70 0.92 0.00 0.00 35 S 8.13 4.14 0.00 4.05 3.94 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 0.00 0.00 0.00 36 Q 8.34 4.14 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 37 C 8.00 4.25 0.00 3.20 3.03 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 0.00 0.00 0.00 38 K 8.41 4.01 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.61 7.81 39 A 8.55 4.00 1.41 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 0.00 0.00 40 F 8.20 4.24 0.00 3.16 3.11 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 41 E 8.11 3.67 0.00 2.17 2.14 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 2.27 2.30 0.00 42 E 8.31 3.88 0.00 2.16 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 2.27 2.27 0.00 43 V 7.80 3.54 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 0.96 0.00 0.00 1.04 0.00 0.00 44 V 7.24 3.38 1.88 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 0.79 0.00 0.00 0.21 0.00 0.00 45 D 7.58 4.68 0.00 2.84 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 46 T 7.83 4.14 4.38 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 1.22 0.00 0.00 47 Q 8.33 3.90 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.39 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 *49 Y 7.88 4.38 0.00 3.24 3.09 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 0.00 0.00 0.00 50 G 8.31 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.32 4.26 0.00 3.14 3.11 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 52 S 8.11 3.64 0.00 3.78 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 53 R 8.25 3.86 0.00 2.07 2.14 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 54 Q 7.76 4.04 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 55 V 7.39 3.39 1.88 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 0.93 0.00 0.00 0.13 0.00 0.00 56 T 7.77 3.83 4.38 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 1.22 0.00 0.00 57 Y 8.28 4.30 0.00 3.02 3.09 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 0.00 0.00 0.00 58 A 8.37 3.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.18 4.38 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 1.23 0.00 0.00 60 R 7.99 3.99 0.00 2.08 2.07 0.00 3.34 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 61 L 7.48 4.24 0.00 1.58 1.57 0.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.72 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.47 3.82 1.91 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 1.23 0.47 0.86 0.00 0.00 64 L 7.50 4.88 0.00 1.64 1.51 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 T 9.13 4.25 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 1.24 0.00 0.00 66 N 8.65 4.27 0.00 2.74 2.91 0.00 0.00 6.81 8.08 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 67 D 8.03 4.35 0.00 2.69 2.72 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 68 E 8.18 4.03 0.00 2.28 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 2.34 2.34 0.00 69 G 8.15 3.76 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 0.00 0.00 0.00 70 H 8.53 4.17 0.00 3.21 3.50 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.50 3.81 0.00 1.88 2.16 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 72 L 7.87 4.01 0.00 1.89 1.80 0.99 0.61 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 73 L 7.71 3.96 0.00 1.76 1.64 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.44 4.00 0.00 3.65 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 75 D 8.46 4.37 0.00 2.89 2.71 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 76 L 7.93 3.99 0.00 1.87 1.73 1.12 0.88 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 77 E 8.41 3.91 0.00 2.08 2.13 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 2.30 2.30 0.00 78 R 7.86 3.88 0.00 1.97 2.12 0.00 3.32 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 79 E 8.20 4.07 0.00 2.28 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 2.30 2.40 0.00 80 L 7.82 4.03 0.00 1.89 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 N 7.52 4.77 0.00 2.65 2.82 0.00 0.00 7.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.15 3.92 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.