NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 A 4.3736 8.2649 123.5891 52.2370 20.2351 177.1696 -1 N 4.6648 8.4961 121.3546 52.1784 39.5013 173.8516 0 S 4.6924 8.2565 128.0928 58.1478 63.1433 173.7928 0 I 4.3924 7.9465 132.2928 60.9478 38.1433 175.5928 3 R 5.2434 9.3785 127.7704 54.8648 32.0505 174.5936 4 L 5.3123 9.0397 126.3913 53.1044 44.7844 175.1214 5 N 5.0038 9.2363 120.9177 51.5398 41.1361 173.8762 6 V 4.5137 8.4624 125.5552 61.1033 32.9475 174.7903 7 F 4.7422 8.8060 127.7851 56.4327 40.3342 175.8303 8 V 4.4175 8.7102 123.0870 60.9529 34.4054 173.8549 9 R 5.1842 8.9086 128.9630 54.6414 32.0190 175.1042 10 V 4.9132 8.9689 125.8652 59.9495 35.2583 175.0478 11 N 4.7541 8.7748 120.7599 52.0200 38.4626 175.5738 12 E 4.0036 8.6309 119.0398 59.4939 29.9822 177.9582 13 T 4.0171 8.1277 114.6010 66.2694 68.7143 175.1663 14 N 4.7591 8.7886 117.1410 53.2542 39.0813 176.9159 15 R 3.9400 7.6627 121.4790 59.7129 30.1277 177.8405 16 E 3.8890 8.1027 118.2626 59.1813 29.7148 178.8187 17 K 3.9519 8.0097 117.8555 59.3305 32.2117 179.0604 18 A 4.1033 8.2431 121.1599 55.2335 18.3667 179.7395 19 I 2.9157 7.5298 118.2904 64.2278 37.0212 178.2555 20 E 3.8541 8.2963 120.0382 59.1926 29.3709 178.7269 21 A 4.1131 8.1263 120.6036 55.0739 18.4277 179.4903 22 A 4.0249 8.1939 119.3291 55.2432 18.4824 179.9255 23 K 3.8321 8.4114 117.3818 59.6975 32.1339 179.4392 24 E 3.6847 8.2156 119.0917 59.1702 29.1921 179.1979 25 L 3.7890 7.6041 120.4543 58.0657 42.0885 179.1223 26 T 3.3159 8.1930 116.0007 66.4854 68.2404 176.2952 27 A 3.9106 7.4869 121.0374 55.3416 18.5073 179.2455 28 C 4.1243 7.7993 114.9937 63.1195 28.1497 176.5812 29 S 4.5840 7.9528 118.3856 61.0294 62.1246 176.6713 30 L 3.8912 7.5357 120.5402 57.2275 41.3680 179.0570 31 K 4.1668 7.5640 116.8701 56.9283 32.1832 177.0581 32 E 4.2835 7.9270 120.8937 55.6640 30.2318 177.4256 33 E 3.9346 9.0621 124.7854 59.3381 29.9693 177.8508 34 G 3.8475 8.1525 105.1713 46.3580 0.0000 172.0041 35 C 3.4538 7.6856 121.6104 58.6279 31.0166 173.2807 36 I 4.0178 8.1878 128.5868 63.8617 37.5915 176.4967 37 A 4.6402 7.1506 120.9200 51.1210 22.7485 174.7583 38 Y 4.8256 8.2766 117.4047 57.0227 41.8373 172.8571 39 D 4.7765 8.9584 125.1150 53.6674 45.5195 173.4988 40 T 5.0535 8.1780 119.1465 61.9847 70.3498 174.1463 41 F 4.8912 8.9523 123.8141 55.7761 42.3731 174.1789 42 E 4.7352 8.9079 122.8106 54.4878 30.9998 176.0063 43 S 4.2979 8.5850 118.4327 58.7419 62.8497 174.5889 44 S 4.4499 8.7605 123.0135 60.1601 63.1183 174.8152 45 T 4.4218 7.8924 108.3380 61.2429 70.6908 174.0479 46 R 4.5148 8.1923 120.8468 53.9991 31.8925 175.9433 47 R 3.9827 8.8732 123.5674 59.0368 30.3149 177.5683 48 D 5.0424 8.0546 114.2379 52.4426 40.2610 175.1776 49 V 5.0036 7.9960 121.4549 61.6087 34.2665 174.2398 50 F 5.1844 8.6039 123.1025 55.8480 41.6652 172.6596 *52 I 4.4502 8.2480 117.6342 62.0023 38.8955 174.0732 53 C 5.1296 8.8565 127.5861 57.7238 33.6421 172.3450 54 E 5.0851 9.1568 124.5937 54.8725 33.9944 174.5918 55 T 5.7095 8.7625 118.7991 61.7809 72.1447 172.9490 56 W 4.8881 8.7530 125.5061 54.6640 31.3769 175.5899 57 Q 4.2249 9.1842 126.1128 59.3410 29.1949 175.5954 58 N 4.8332 7.9133 113.5250 50.8261 39.9305 174.7408 59 A 4.0054 8.4427 119.3348 55.3228 18.2273 179.5364 60 E 3.9519 8.1984 116.7389 59.4904 29.7270 179.6361 61 V 3.7118 8.4441 112.6659 63.9089 31.5425 178.4804 62 L 2.8008 7.6472 120.1859 57.6057 41.6741 178.6829 63 A 3.7477 7.6144 119.1829 55.1453 18.5775 179.1331 64 A 3.9586 7.9139 119.1223 55.4320 18.4421 179.0560 65 H 4.1382 7.8495 118.0635 58.8210 29.5961 176.8010 66 E 2.5400 7.3844 117.1927 56.9764 29.3286 178.0194 67 K 4.3496 7.2407 117.7265 55.6342 33.3056 177.1570 68 T 4.1691 6.9390 111.1074 60.9677 70.9165 175.3806 69 A 3.9816 8.4346 124.4799 55.6712 18.5191 179.8445 70 H 4.2179 8.1733 113.2820 58.7156 28.4858 177.3434 71 F 4.1053 7.9647 122.9173 61.1103 39.2707 176.7846 72 A 3.9121 8.0946 120.2458 55.2490 18.1441 179.2634 73 Q 3.6608 8.2912 118.1517 59.7279 29.0948 178.1854 74 Y 4.2221 7.9278 117.6341 60.7366 37.9697 178.3195 75 V 3.5712 7.9725 119.7516 65.6126 31.6491 178.0330 76 G 3.7183 7.8413 105.6128 48.0443 0.0000 175.4515 77 I 3.7279 7.6324 122.4817 64.1668 37.1927 178.6450 78 I 3.8327 8.0248 120.6179 64.6151 36.7299 178.6118 79 Q 4.1761 8.3386 118.2033 58.7695 28.5286 178.0841 80 E 4.1189 7.8730 119.2670 58.4559 29.7756 177.8906 81 L 4.4416 7.6020 116.8620 55.2494 42.3810 175.6709 82 A 4.5074 7.7043 119.5811 51.5233 22.5196 174.0793 83 E 4.5506 8.6299 119.0886 54.4916 33.3044 175.4490 *85 K 4.2475 8.2703 120.2180 56.5680 33.4450 173.9132 86 L 4.7966 8.5855 129.8324 53.9078 43.4556 175.2478 87 E 4.6896 9.1732 125.3713 54.2893 32.8969 174.6963 88 K 4.9311 8.1598 124.4542 54.6336 34.9334 175.0215 89 F 5.0132 9.2884 124.5065 55.9373 43.6140 173.3335 90 E 5.0730 8.8122 120.8125 54.5388 31.5317 176.2403 91 F 4.1297 9.1048 120.5606 57.9403 39.0180 175.3223 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 A 8.26 4.37 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 -1 N 8.50 4.66 0.00 2.80 2.83 0.00 0.00 6.99 6.68 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 S 8.26 4.69 0.00 3.92 3.42 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 I 7.95 4.39 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 1.41 1.36 0.91 0.00 0.00 3 R 9.38 5.24 0.00 2.08 1.90 0.00 3.19 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 4 L 9.04 5.31 0.00 1.71 1.59 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.24 5.00 0.00 2.71 2.15 0.00 0.00 6.20 8.23 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 6 V 8.46 4.51 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 0.76 0.00 0.00 0.99 0.00 0.00 7 F 8.81 4.74 0.00 2.96 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 8 V 8.71 4.42 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 0.00 0.00 0.67 0.00 0.00 0.49 0.00 0.00 9 R 8.91 5.18 0.00 1.90 1.76 0.00 3.10 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 10 V 8.97 4.91 2.26 0.00 0.00 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 1.13 0.00 0.00 11 N 8.77 4.75 0.00 3.00 3.03 0.00 0.00 5.87 7.66 0.00 0.00 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 E 8.63 4.00 0.00 1.95 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 2.41 0.00 13 T 8.13 4.02 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 14 N 8.79 4.76 0.00 2.83 2.89 0.00 0.00 6.64 7.29 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 15 R 7.66 3.94 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 16 E 8.10 3.89 0.00 2.02 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 2.32 0.00 17 K 8.01 3.95 0.00 2.01 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 18 A 8.24 4.10 1.59 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 0.00 0.00 19 I 7.53 2.92 1.61 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 0.20 -0.23 0.64 0.00 0.00 20 E 8.30 3.85 0.00 2.01 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 2.29 2.36 0.00 21 A 8.13 4.11 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.19 4.02 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 3.83 0.00 1.82 1.77 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.47 7.81 24 E 8.22 3.68 0.00 1.16 1.35 0.00 0.00 0.00 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 2.42 0.00 25 L 7.60 3.79 0.00 1.79 1.83 1.23 1.10 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 26 T 8.19 3.32 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 1.28 0.00 0.00 27 A 7.49 3.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.80 4.12 0.00 3.02 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 29 S 7.95 4.58 0.00 2.95 3.84 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 30 L 7.54 3.89 0.00 1.54 1.67 0.88 0.89 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 31 K 7.56 4.17 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.59 7.81 32 E 7.93 4.28 0.00 2.36 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 2.51 2.41 0.00 33 E 9.06 3.93 0.00 1.94 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 2.31 2.39 0.00 34 G 8.15 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 35 C 7.69 3.45 0.00 2.52 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 36 I 8.19 4.02 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.80 0.00 0.00 37 A 7.15 4.64 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.28 4.83 0.00 2.77 2.65 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 39 D 8.96 4.78 0.00 2.79 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 0.00 0.00 0.00 0.00 40 T 8.18 5.05 4.15 0.00 0.00 0.00 0.00 0.00 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 41 F 8.95 4.89 0.00 2.91 2.97 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 42 E 8.91 4.74 0.00 2.01 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 2.19 2.25 0.00 43 S 8.58 4.30 0.00 3.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.45 0.00 3.94 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 45 T 7.89 4.42 4.26 0.00 0.00 0.00 0.00 0.00 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 46 R 8.19 4.51 0.00 1.88 2.08 0.00 3.15 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 47 R 8.87 3.98 0.00 1.83 2.05 0.00 3.39 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 48 D 8.05 5.04 0.00 3.00 2.93 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 49 V 8.00 5.00 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 1.09 0.00 0.00 0.96 0.00 0.00 50 F 8.60 5.18 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.45 1.84 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.83 0.00 0.00 53 C 8.86 5.13 0.00 2.93 2.97 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 54 E 9.16 5.09 0.00 2.03 1.70 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 1.47 1.94 0.00 55 T 8.76 5.71 4.14 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 1.21 0.00 0.00 56 W 8.75 4.89 0.00 3.24 3.18 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 0.00 57 Q 9.18 4.22 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 58 N 7.91 4.83 0.00 2.96 2.91 0.00 0.00 6.14 6.97 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 59 A 8.44 4.01 1.34 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 60 E 8.20 3.95 0.00 2.10 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 2.39 2.33 0.00 61 V 8.44 3.71 2.30 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 0.84 0.00 0.00 1.33 0.00 0.00 62 L 7.65 2.80 0.00 1.36 1.60 0.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.61 3.75 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 64 A 7.91 3.96 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 65 H 7.85 4.14 0.00 2.83 2.74 0.00 5.83 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 66 E 7.38 2.54 0.00 1.69 1.38 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 1.47 1.70 0.00 67 K 7.24 4.35 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 68 T 6.94 4.17 4.08 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 0.00 0.00 0.00 1.28 0.00 0.00 69 A 8.43 3.98 1.34 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 70 H 8.17 4.22 0.00 3.62 3.72 0.00 5.47 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.96 4.11 0.00 2.92 3.17 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 0.00 0.00 0.00 0.00 72 A 8.09 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.29 3.66 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 1.31 2.01 0.00 74 Y 7.93 4.22 0.00 3.26 2.97 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 75 V 7.97 3.57 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.29 0.00 0.00 76 G 7.84 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 77 I 7.63 3.73 2.11 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.99 0.00 0.00 78 I 8.02 3.83 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 1.03 0.00 0.00 79 Q 8.34 4.18 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 80 E 7.87 4.12 0.00 2.18 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 0.00 2.32 2.40 0.00 81 L 7.60 4.44 0.00 1.89 1.77 1.03 0.67 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 82 A 7.70 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.63 4.55 0.00 1.88 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 0.00 2.24 2.37 0.00 *85 K 8.27 4.25 0.00 1.91 1.88 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.49 7.81 86 L 8.59 4.80 0.00 1.73 1.57 0.99 0.92 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 87 E 9.17 4.69 0.00 2.11 1.63 0.00 0.00 0.00 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 2.46 0.00 88 K 8.16 4.93 0.00 1.65 1.49 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.42 7.81 89 F 9.29 5.01 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.81 5.07 0.00 1.93 1.97 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 2.33 2.38 0.00 91 F 9.10 4.13 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.