NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2894 8.4449 121.4702 55.5173 31.6673 175.5962 3 K 4.3985 7.8728 117.9144 55.3419 33.1614 174.8780 4 R 4.6606 9.8374 123.8355 54.1011 35.1989 174.3163 5 F 4.8399 8.4639 119.4479 57.6313 40.5079 174.3988 6 Y 5.2844 9.0977 119.5139 56.3503 42.6832 174.1511 7 I 5.1410 9.0788 122.6005 59.6046 40.4591 174.6279 8 L 5.2906 9.0716 126.1407 53.2398 45.2394 175.4325 9 T 5.0664 9.0010 119.5592 61.8554 71.5840 173.1720 10 I 4.8678 8.8832 127.0359 59.3799 40.7524 174.4876 11 V 4.7196 9.0248 127.2602 61.0718 33.6424 174.3132 12 V 4.9250 8.5839 128.1012 61.0130 33.8509 175.0858 13 E 4.3211 8.7273 126.9826 56.2887 30.3153 177.8143 14 D 4.0445 8.4827 123.4252 53.7924 38.6392 175.4960 15 R 4.5385 7.4120 120.2160 53.3690 34.1412 176.4587 16 E 3.8774 8.8343 121.4305 59.6491 29.4492 179.4961 17 K 3.8502 8.0668 118.4756 59.6046 32.1988 178.2379 18 A 4.0272 7.9539 120.1384 55.4378 18.3649 178.7881 19 Y 4.1484 8.1217 115.1363 61.5582 37.9491 179.1431 20 R 3.9872 8.3641 119.4639 59.4340 30.1467 178.6335 21 Q 3.9719 8.5884 118.3257 58.8863 28.7659 178.5943 22 V 3.5685 7.9767 119.3820 66.1910 31.4506 177.6895 23 N 4.2928 8.4895 116.3166 56.4495 38.4719 176.9854 24 E 3.9694 8.4335 120.1749 59.4813 29.3663 179.3592 25 L 4.0946 7.7341 118.6799 58.4126 42.1920 178.8972 26 L 4.2434 8.4862 119.1454 57.6829 41.4370 178.9966 27 H 4.1857 8.6397 118.9841 59.4448 29.6291 177.1078 28 N 4.3854 8.0851 116.3123 55.3181 38.4357 176.3846 29 F 4.6567 7.5798 116.5736 57.2117 39.5553 177.6285 30 S 4.2005 7.8967 117.1262 61.3965 62.3824 175.8580 31 E 3.8870 8.2079 122.2838 58.7527 29.6710 176.9043 32 D 4.8258 8.0272 115.5852 53.8657 41.4433 175.5690 33 I 4.5400 7.4363 121.2180 60.9462 37.6680 175.6330 34 L 4.6959 8.9761 124.8449 55.0252 43.5760 176.4944 35 L 4.5232 7.5155 118.9067 54.0152 45.5482 173.4615 36 R 5.1373 8.6322 125.2842 54.7264 33.2082 173.9335 37 V 4.5095 9.1834 126.3193 60.9995 34.5211 174.1126 38 G 4.3363 8.8653 114.6273 44.5882 0.0000 171.8729 39 Y 4.8202 9.1512 126.4829 54.9651 41.3019 172.6320 40 P 4.5289 0.0000 0.0000 62.5612 33.0147 176.8133 41 V 4.1400 8.0196 120.8489 60.7719 31.7614 176.0237 42 R 4.0441 8.0056 124.3104 58.1646 30.5167 178.8914 43 E 4.0463 8.2552 116.5427 58.5852 29.4710 177.2807 44 E 4.5368 7.8344 114.8524 54.9673 31.0847 175.7169 45 N 3.9849 7.7671 114.9763 53.8601 36.1140 172.4273 *47 A 4.5590 7.4743 120.6403 51.6605 21.1120 175.4799 48 I 4.7235 8.5637 121.2324 59.5465 40.0664 174.8781 49 I 4.9021 8.7818 126.8847 59.4361 40.5430 174.3733 50 F 5.5260 9.0692 125.1739 55.7727 41.8565 174.5928 51 L 5.3295 9.1901 122.2292 52.9737 45.9795 175.4687 52 V 4.9284 8.5490 122.1732 61.2082 34.1642 174.3759 53 L 5.4027 9.0156 126.5742 52.7845 46.0451 175.3922 54 K 4.6197 8.3135 122.3552 55.2065 34.1951 174.9394 55 T 4.6256 9.0033 121.6937 61.4901 72.0617 172.1797 56 D 4.9656 8.4406 123.8592 52.0062 41.6966 177.0754 57 N 4.3061 8.7570 115.4919 56.6101 38.3197 177.0504 58 D 4.3721 8.1349 119.7029 57.9622 40.9528 179.1466 59 T 4.0495 8.1372 115.9395 66.7195 68.4650 176.8118 60 I 3.6309 7.6682 120.2455 63.5932 37.8438 178.2199 61 G 3.4659 7.9790 106.6587 47.4496 0.0000 175.5202 62 A 4.0018 8.1723 123.4932 54.7972 18.3774 179.5270 63 L 3.1384 7.6596 118.8832 58.1509 42.0704 179.3895 64 S 4.0948 8.0375 114.3926 61.1586 62.6307 176.6495 65 G 3.5089 7.8888 108.7290 47.5296 0.0000 175.6760 66 K 4.1409 8.0025 121.1213 59.0166 32.1886 179.3147 67 L 4.0415 8.0781 119.6720 57.9521 41.4239 179.8325 68 G 3.9073 8.1009 104.0879 46.6300 0.0000 173.8672 69 Q 4.5834 7.4247 116.7064 55.7152 29.2749 175.0433 70 I 4.1606 7.5586 120.4105 60.1715 37.9181 175.4121 71 S 4.2569 8.5336 120.8021 59.8024 62.8354 174.1957 72 G 3.9436 9.1395 114.9829 45.1631 0.0000 172.1458 73 V 4.9070 7.3810 118.8050 60.9679 33.9239 175.1607 74 R 4.8219 9.0219 125.8922 54.3177 33.4676 174.7298 75 V 4.9967 8.5089 122.6366 59.7792 34.6264 175.0375 76 K 4.6929 9.1033 121.7222 54.9894 35.7463 175.1411 77 T 5.0984 8.6534 120.8267 61.7093 71.2870 173.6333 78 V 4.6178 8.8425 125.9768 60.3113 34.5794 173.0058 79 P 4.7177 0.0000 0.0000 62.5220 31.8112 176.1134 80 L 4.1035 8.5325 124.6717 57.4839 42.6338 177.4397 81 K 4.5166 7.8193 119.4664 54.7012 34.2433 176.8554 *82 R 4.1284 8.6018 120.7894 56.5587 29.2764 173.4241 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 8.44 4.29 0.00 1.95 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 2.20 2.35 0.00 3 K 7.87 4.40 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.51 7.81 4 R 9.84 4.66 0.00 1.48 1.41 0.00 3.13 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 5 F 8.46 4.84 0.00 2.91 2.90 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 6 Y 9.10 5.28 0.00 2.91 2.82 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 0.00 0.00 0.00 7 I 9.08 5.14 1.94 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 1.28 1.10 1.01 0.00 0.00 8 L 9.07 5.29 0.00 1.63 1.53 0.94 0.77 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 9 T 9.00 5.07 4.31 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 1.23 0.00 0.00 10 I 8.88 4.87 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.78 0.87 0.00 0.00 11 V 9.02 4.72 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 1.02 0.00 0.00 0.90 0.00 0.00 12 V 8.58 4.93 2.23 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 1.05 0.00 0.00 0.90 0.00 0.00 13 E 8.73 4.32 0.00 1.92 1.84 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 2.35 2.44 0.00 14 D 8.48 4.04 0.00 2.44 2.36 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 0.00 0.00 0.00 0.00 15 R 7.41 4.54 0.00 1.85 1.71 0.00 3.13 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 16 E 8.83 3.88 0.00 1.97 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 2.37 2.32 0.00 17 K 8.07 3.85 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 18 A 7.95 4.03 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 19 Y 8.12 4.15 0.00 3.29 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 20 R 8.36 3.99 0.00 1.98 2.19 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 21 Q 8.59 3.97 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 22 V 7.98 3.57 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 0.99 0.00 0.00 1.00 0.00 0.00 23 N 8.49 4.29 0.00 2.81 2.86 0.00 0.00 7.09 7.24 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 24 E 8.43 3.97 0.00 2.15 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 2.34 2.67 0.00 25 L 7.73 4.09 0.00 1.92 1.95 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.49 4.24 0.00 1.72 1.74 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 H 8.64 4.19 0.00 3.28 3.54 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 28 N 8.09 4.39 0.00 2.96 2.56 0.00 0.00 6.98 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 29 F 7.58 4.66 0.00 3.15 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 30 S 7.90 4.20 0.00 4.02 4.16 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 0.00 0.00 0.00 0.00 31 E 8.21 3.89 0.00 1.89 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 2.27 2.40 0.00 32 D 8.03 4.83 0.00 2.78 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 33 I 7.44 4.54 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 1.00 0.00 0.00 34 L 8.98 4.70 0.00 1.66 1.77 1.10 1.08 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 35 L 7.52 4.52 0.00 1.77 1.50 0.95 0.79 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 36 R 8.63 5.14 0.00 1.83 1.76 0.00 3.24 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 37 V 9.18 4.51 2.45 0.00 0.00 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 1.02 0.00 0.00 38 G 8.87 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.15 4.82 0.00 3.04 2.77 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 40 P 0.00 4.53 0.00 1.99 1.98 0.00 3.51 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 41 V 8.02 4.14 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 1.09 0.00 0.00 1.06 0.00 0.00 42 R 8.01 4.04 0.00 1.87 1.93 0.00 3.16 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 43 E 8.26 4.05 0.00 1.97 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 2.32 2.35 0.00 44 E 7.83 4.54 0.00 1.96 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 2.24 2.40 0.00 45 N 7.77 3.98 0.00 2.88 2.75 0.00 0.00 6.82 6.93 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 *47 A 7.47 4.56 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 48 I 8.56 4.72 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.68 0.14 0.00 0.00 49 I 8.78 4.90 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.88 0.00 0.00 50 F 9.07 5.53 0.00 2.96 2.81 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 0.00 0.00 0.00 51 L 9.19 5.33 0.00 1.59 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.55 4.93 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 1.21 0.00 0.00 0.98 0.00 0.00 53 L 9.02 5.40 0.00 1.80 1.58 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.31 4.62 0.00 0.98 1.35 0.00 0.97 0.00 0.00 1.31 0.00 0.00 2.58 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.90 0.21 7.81 55 T 9.00 4.63 4.30 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 1.30 0.00 0.00 56 D 8.44 4.97 0.00 2.97 2.83 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 0.00 0.00 0.00 57 N 8.76 4.31 0.00 2.85 2.91 0.00 0.00 6.82 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 58 D 8.13 4.37 0.00 2.70 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 59 T 8.14 4.05 4.33 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 1.48 0.00 0.00 60 I 7.67 3.63 1.29 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.76 0.32 0.00 0.00 61 G 7.98 3.47 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 0.00 0.00 0.00 62 A 8.17 4.00 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.66 3.14 0.00 0.48 1.21 0.25 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.04 4.09 0.00 4.01 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 65 G 7.89 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.00 4.14 0.00 1.84 1.86 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.54 7.81 67 L 8.08 4.04 0.00 1.80 1.68 0.82 1.15 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 68 G 8.10 3.91 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 0.00 0.00 0.00 69 Q 7.42 4.58 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 70 I 7.56 4.16 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 1.19 1.33 0.97 0.00 0.00 71 S 8.53 4.26 0.00 3.83 3.78 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 72 G 9.14 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 0.00 0.00 0.00 73 V 7.38 4.91 2.25 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 0.86 0.00 0.00 0.95 0.00 0.00 74 R 9.02 4.82 0.00 1.74 1.76 0.00 3.12 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 75 V 8.51 5.00 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 0.72 0.00 0.00 0.90 0.00 0.00 76 K 9.10 4.69 0.00 1.67 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.55 7.81 77 T 8.65 5.10 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 1.19 0.00 0.00 78 V 8.84 4.62 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 1.08 0.00 0.00 0.97 0.00 0.00 79 P 0.00 4.72 0.00 2.32 2.17 0.00 3.89 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 2.02 2.05 0.00 80 L 8.53 4.10 0.00 1.66 1.71 0.80 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.82 4.52 0.00 1.73 1.67 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.35 7.81 *82 R 8.60 4.13 0.00 1.83 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.