NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 4.2938 8.1844 122.4978 55.0487 43.2792 175.3728 -3 Y 4.4020 8.3812 124.9355 55.1167 40.2556 175.4963 -2 F 4.5664 8.5259 131.0931 56.7678 38.8955 174.0085 -1 Q 4.5422 8.7238 123.9680 58.6334 29.0643 179.7431 0 G 3.9677 8.3299 107.8628 45.2645 0.0000 173.9118 -2 D 4.5864 8.5659 131.1931 53.2678 40.3955 174.5085 -1 Y 4.7522 8.5238 124.4680 60.8334 37.4643 179.6431 0 F 4.6277 8.2999 119.3628 57.8645 38.6643 174.8118 5 R 4.0521 8.0430 118.3344 59.1939 29.8289 178.2050 6 L 3.7497 7.7204 119.3104 58.1954 42.2720 178.5681 7 A 3.8975 7.6268 120.2171 55.0591 18.0198 178.8526 8 E 3.9516 8.2249 117.3598 59.4099 29.6722 179.2122 9 K 4.0145 7.6446 118.1708 59.2960 32.0743 179.1385 10 F 4.2530 8.2154 119.7630 61.4455 39.4347 176.8414 11 L 3.9569 8.2110 117.7117 57.7349 41.6513 179.5017 12 R 4.1442 7.5187 118.1908 59.0093 29.9741 179.7462 13 E 4.1011 8.0137 117.2403 56.7595 29.5637 178.5629 *15 H 4.6957 8.2364 120.3095 56.2456 31.6787 175.0778 16 A 4.0934 8.0336 121.0194 54.9673 18.6290 178.6824 17 K 4.1048 8.4904 117.3797 59.8492 32.5731 178.9771 18 Y 4.4931 7.6630 117.1038 58.2577 38.5123 177.9026 *20 K 4.3723 8.1108 119.3456 55.2252 34.2180 176.9667 21 R 4.4464 7.5387 113.8914 56.5333 30.7008 178.5617 22 V 3.5034 7.8874 118.6202 64.7977 31.2026 177.8039 23 S 4.1891 7.9085 115.4025 61.2150 63.0322 175.1861 24 R 4.1520 7.8706 118.6583 54.9161 30.4414 174.3024 25 P 4.2662 0.0000 0.0000 64.5241 31.6380 176.9261 26 G 3.9976 9.0690 110.0531 45.7442 0.0000 172.3672 27 N 5.1357 7.8673 116.1224 51.3294 40.9110 174.0563 28 T 4.5038 7.9891 116.6462 59.2181 69.6038 172.6227 29 P 4.3486 0.0000 0.0000 65.0012 32.2548 176.7945 30 R 2.5100 7.3698 118.1503 52.9271 30.7238 173.8463 31 P 3.6846 0.0000 0.0000 65.0777 31.7899 179.4412 32 W 4.5769 7.6217 114.6736 58.2486 28.2490 176.1394 33 F 4.6769 7.2231 119.5587 59.4681 40.5987 175.9998 34 D 4.2688 8.1973 119.7395 56.0600 40.8638 176.5978 35 F 5.1849 7.3485 116.3046 55.7794 40.9458 176.2930 36 S 4.4815 8.3537 117.8154 57.9228 65.1382 175.0427 37 E 4.0024 8.7076 121.9426 59.8217 29.1892 179.5891 38 E 3.9072 8.0860 117.9492 59.4171 29.5365 179.2752 39 R 3.8161 8.1541 118.7807 59.2740 30.0413 178.4990 40 L 4.2345 8.2735 119.0490 57.7293 41.5379 179.3028 41 L 4.0504 8.1873 119.2583 58.0711 41.5767 179.8660 42 S 3.9973 8.0204 113.9361 61.4080 62.8810 176.6637 43 R 3.8956 8.2380 121.8888 58.7879 29.5608 178.6192 44 L 4.0428 8.0473 119.1448 58.4084 42.2386 178.6257 45 F 4.1736 8.6000 116.4652 60.7142 39.1325 177.1542 46 E 4.1892 8.4527 118.2440 59.2996 29.2667 179.4287 47 E 4.0461 8.0036 117.5551 56.7819 29.6692 178.8027 *49 D 4.5559 8.0976 120.5570 54.5336 43.1618 177.9883 50 E 3.9321 8.1494 118.4940 59.0958 29.3052 179.2697 51 L 3.9463 7.9980 120.3971 58.3017 42.2634 179.1049 52 R 3.9310 7.9850 117.5228 59.3471 30.0209 178.4331 53 E 3.8836 8.5045 118.9934 59.2173 29.6275 178.7270 54 A 3.8831 8.1031 120.8133 54.9955 18.4280 179.8097 55 V 3.4526 7.8132 116.6815 66.3055 31.4706 178.1682 56 E 3.9827 7.9955 116.8577 59.0738 29.3716 178.7170 57 K 4.0897 7.7118 115.7095 55.7488 32.4446 176.5621 58 E 2.5400 7.2693 117.6031 56.7145 27.8234 175.8771 59 D 4.3091 6.9826 118.9670 53.0072 39.3629 175.4732 60 W 4.5791 7.5587 124.4328 58.7679 29.2642 177.1763 61 E 4.0786 8.2591 119.2417 59.5355 29.2614 178.3379 62 N 4.3978 8.6535 116.5905 55.9012 38.9195 176.5012 63 L 3.9947 7.9192 122.3118 58.3082 42.0838 178.8829 64 R 4.0110 7.7043 116.5206 59.6567 30.0581 178.7116 65 D 4.4350 7.6107 115.4147 57.5729 40.8455 178.8305 66 E 4.1017 8.2347 118.9604 59.2009 29.4016 179.4047 67 L 4.1226 8.2691 119.4431 57.6456 41.5888 179.3914 68 L 3.9749 7.9049 118.7096 57.8815 41.5824 179.2923 69 D 4.5101 8.1818 118.7312 57.5001 40.7429 179.0515 70 V 3.6942 8.0355 118.4230 65.9304 31.3105 177.8395 71 A 4.0350 7.9958 119.3133 55.2458 18.3463 178.9341 72 N 3.9418 8.0018 113.7736 56.5724 38.9209 177.5163 73 F 3.9113 8.2710 118.7522 60.1446 38.7921 177.8656 74 C 4.0979 8.2648 113.7068 60.8340 27.7072 175.0591 *76 Y 5.0946 7.7935 120.3464 58.3358 39.6234 177.4085 77 L 4.1817 8.3063 121.0109 57.8632 42.1982 178.5174 78 W 4.2867 8.7995 128.8624 60.5634 30.3524 178.1804 79 G 3.6367 8.4726 105.0308 47.7349 0.0000 175.3565 80 K 4.0571 8.0945 121.1719 59.3232 32.3290 178.6391 81 L 4.0888 8.0660 118.0890 57.0647 41.6050 178.7249 82 S 4.1388 7.2147 113.4232 59.1952 63.1634 174.5706 83 V 3.8283 7.1733 119.2312 61.4461 31.4269 175.7764 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 -4 L 8.18 4.29 0.00 1.61 1.63 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.38 4.40 0.00 3.09 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 -2 F 8.53 4.57 0.00 2.84 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.54 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.49 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 0 G 8.33 3.97 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 0.00 0.00 0.00 -2 D 8.57 4.59 0.00 2.42 2.18 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 -1 Y 8.52 4.75 0.00 3.16 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 8.30 4.63 0.00 2.88 2.94 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 5 R 8.04 4.05 0.00 1.91 2.09 0.00 3.21 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 6 L 7.72 3.75 0.00 1.66 1.55 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.63 3.90 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 8 E 8.22 3.95 0.00 2.22 2.15 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 2.40 2.37 0.00 9 K 7.64 4.01 0.00 1.90 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.61 7.81 10 F 8.22 4.25 0.00 2.93 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 11 L 8.21 3.96 0.00 1.72 1.67 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.52 4.14 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 13 E 8.01 4.10 0.00 2.02 1.90 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 2.44 2.50 0.00 *15 H 8.24 4.70 0.00 3.21 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.03 4.09 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 0.00 0.00 0.00 0.00 0.00 17 K 8.49 4.10 0.00 2.00 1.86 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.51 7.81 18 Y 7.66 4.49 0.00 3.29 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 *20 K 8.11 4.37 0.00 1.98 1.91 0.00 1.79 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 21 R 7.54 4.45 0.00 2.03 2.24 0.00 2.97 0.00 0.00 3.54 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 22 V 7.89 3.50 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 0.42 0.00 0.00 0.73 0.00 0.00 23 S 7.91 4.19 0.00 3.85 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 24 R 7.87 4.15 0.00 2.02 1.87 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 25 P 0.00 4.27 0.00 2.05 2.02 0.00 3.74 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 2.04 2.10 0.00 26 G 9.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.87 5.14 0.00 2.91 2.75 0.00 0.00 6.66 8.85 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 28 T 7.99 4.50 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 29 P 0.00 4.35 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 30 R 7.37 2.51 0.00 1.27 0.66 0.00 3.17 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.26 0.00 31 P 0.00 3.68 0.00 2.10 2.21 0.00 2.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.47 0.00 32 W 7.62 4.58 0.00 3.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.22 4.68 0.00 2.79 2.85 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 34 D 8.20 4.27 0.00 2.06 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 0.00 0.00 0.00 0.00 35 F 7.35 5.18 0.00 3.23 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 S 8.35 4.48 0.00 4.19 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 37 E 8.71 4.00 0.00 2.08 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 0.00 2.42 2.51 0.00 38 E 8.09 3.91 0.00 2.02 1.95 0.00 0.00 0.00 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 2.39 0.00 39 R 8.15 3.82 0.00 1.80 1.80 0.00 2.96 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.06 0.00 40 L 8.27 4.23 0.00 2.02 1.97 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.19 4.05 0.00 1.92 1.49 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.02 4.00 0.00 4.00 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 43 R 8.24 3.90 0.00 2.07 1.57 0.00 3.32 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 44 L 8.05 4.04 0.00 1.98 2.17 1.11 1.13 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 45 F 8.60 4.17 0.00 3.14 3.13 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 0.00 0.00 0.00 46 E 8.45 4.19 0.00 2.11 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 2.32 2.49 0.00 47 E 8.00 4.05 0.00 2.08 1.95 0.00 0.00 0.00 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 2.00 0.00 *49 D 8.10 4.56 0.00 2.90 2.74 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 0.00 0.00 0.00 0.00 50 E 8.15 3.93 0.00 2.18 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 0.00 2.31 2.42 0.00 51 L 8.00 3.95 0.00 1.79 1.66 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.99 3.93 0.00 2.03 1.96 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 53 E 8.50 3.88 0.00 2.13 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 2.28 2.33 0.00 54 A 8.10 3.88 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 0.00 0.00 0.00 0.00 0.00 55 V 7.81 3.45 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 1.19 0.00 0.00 1.13 0.00 0.00 56 E 8.00 3.98 0.00 2.07 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 2.34 2.47 0.00 57 K 7.71 4.09 0.00 1.58 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.51 7.81 58 E 7.27 2.54 0.00 1.77 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 2.16 2.06 0.00 59 D 6.98 4.31 0.00 2.52 2.37 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 60 W 7.56 4.58 0.00 3.41 3.13 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 0.00 0.00 0.00 61 E 8.26 4.08 0.00 2.08 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 2.41 2.41 0.00 62 N 8.65 4.40 0.00 3.12 2.78 0.00 0.00 6.95 6.19 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 63 L 7.92 3.99 0.00 2.10 2.01 1.03 1.23 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 64 R 7.70 4.01 0.00 2.17 2.05 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 65 D 7.61 4.44 0.00 2.94 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 66 E 8.23 4.10 0.00 2.16 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 2.62 2.51 0.00 67 L 8.27 4.12 0.00 2.00 1.86 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.90 3.97 0.00 1.88 1.68 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.18 4.51 0.00 2.97 2.98 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 70 V 8.04 3.69 2.15 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 1.16 0.00 0.00 1.01 0.00 0.00 71 A 8.00 4.04 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 72 N 8.00 3.94 0.00 2.81 2.13 0.00 0.00 7.13 7.98 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 73 F 8.27 3.91 0.00 3.17 3.28 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 74 C 8.26 4.10 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 5.09 0.00 3.10 3.14 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 0.00 77 L 8.31 4.18 0.00 2.01 1.87 1.04 1.19 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 78 W 8.80 4.29 0.00 3.58 3.29 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 79 G 8.47 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.09 4.06 0.00 2.02 2.12 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.68 7.81 81 L 8.07 4.09 0.00 1.64 1.60 0.97 1.20 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 82 S 7.21 4.14 0.00 2.77 3.10 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 0.00 0.00 0.00 83 V 7.17 3.83 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 0.67 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.