NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 N 4.7508 8.4201 118.1294 53.5471 39.8604 173.7274 -1 A 4.3827 8.5127 124.1928 50.2114 19.4289 175.3212 2 K 4.7499 8.1022 120.6607 57.1357 36.1685 171.5442 3 A 5.1879 8.4324 125.8730 51.1947 23.5349 174.9331 4 I 4.8490 8.9314 120.4840 59.5795 40.0374 174.8980 5 I 4.8432 8.8574 127.8552 59.7323 39.4311 175.2064 6 T 4.6274 8.7881 122.9638 61.6264 71.7908 173.1386 7 V 4.8298 8.2643 124.7811 61.0756 35.0418 174.1359 8 V 4.4690 8.7713 127.0672 61.4069 35.1084 174.6059 9 G 4.2355 8.7574 112.8601 46.3177 0.0000 173.1419 10 K 4.3919 8.9300 117.5862 57.0547 33.2790 176.6716 11 D 4.8945 7.8601 117.6198 52.0484 42.8662 176.1819 12 K 3.2561 8.3169 125.0353 58.4234 33.1218 176.8190 13 S 4.0484 8.8674 116.2104 59.5286 62.5324 174.1574 14 G 3.9543 8.8560 114.4530 46.4621 0.0000 175.1593 15 I 3.7984 7.7501 122.0275 64.2202 37.0202 178.3650 16 V 3.6952 7.8773 118.4017 66.0127 31.4209 177.7004 17 A 4.1227 8.1053 120.0779 55.0683 18.2696 179.6304 18 G 3.7849 8.2580 104.1667 48.1416 0.0000 176.1760 19 V 3.8451 8.3925 122.0377 65.6121 31.6044 178.1261 20 S 4.2509 8.5420 114.5500 61.5524 62.6664 176.8073 21 G 3.5317 8.2195 109.2708 47.2262 0.0000 175.5988 22 K 3.5474 8.0028 122.1804 59.1344 32.1115 178.6403 23 I 3.8264 8.0496 120.1499 64.7077 37.0883 178.2510 24 A 3.9906 8.1903 121.3710 55.0098 17.9472 179.0996 25 E 3.8571 8.3815 117.3741 59.3814 29.7361 178.3110 26 L 4.3708 7.7481 115.6394 54.0733 41.6783 177.1005 27 G 3.9358 7.7701 106.5726 46.4254 0.0000 173.7708 28 L 4.6860 7.6136 118.6153 53.4006 43.2611 176.3727 29 N 4.6603 9.3724 120.3525 52.9338 40.2731 174.6877 30 I 4.5465 8.2569 124.1104 60.5744 36.9613 175.2528 31 D 4.5929 9.0772 129.1223 56.9789 41.5064 176.5441 32 D 4.7309 7.8249 115.3229 53.4901 44.7280 173.9086 33 I 4.9819 8.0967 121.7099 60.0136 41.1370 173.9524 34 S 4.7301 8.3631 120.5333 56.9584 65.7370 173.2728 35 Q 4.5903 8.2839 119.2294 55.0333 31.6934 174.3336 36 T 4.6044 8.6228 118.3938 61.8953 72.9978 173.2622 37 V 4.2771 8.5932 127.0560 62.6187 32.6573 175.1519 38 L 4.6009 9.2315 129.3592 54.0558 45.1059 175.6915 39 D 4.3263 8.3626 127.7184 56.0714 40.9482 173.7390 40 E 4.3069 8.8084 114.8748 55.9587 29.4804 174.5600 41 Y 4.9595 8.0552 117.6742 56.1349 41.6017 174.2642 42 F 5.1567 8.8019 124.4582 57.1132 41.6829 174.5030 43 T 5.2107 8.0573 118.9511 58.8640 71.7593 171.9774 *46 A 4.4992 8.2950 124.5279 51.7824 20.4387 175.5123 47 V 4.6379 8.4974 121.5891 61.5518 33.5478 175.2985 48 V 5.2212 8.7670 120.5567 59.9913 36.0310 174.4060 49 S 4.9715 8.7875 115.5333 57.8798 66.8099 172.8790 50 S 4.9299 8.3334 113.4853 56.9922 65.7372 173.9798 51 D 4.7567 8.8748 123.1883 54.9933 41.0386 176.1522 52 E 4.8112 7.7651 118.4915 53.8121 32.9189 176.0280 53 K 4.1650 8.5414 120.7523 56.7747 32.6841 176.2445 54 Q 4.5433 8.3741 119.8819 53.9297 32.3688 175.1874 55 D 4.8188 8.1384 117.4977 52.8561 42.0774 176.1984 56 F 4.0273 8.8189 127.2331 60.4715 38.8784 177.4631 57 T 3.9587 8.3068 115.2723 66.8907 68.2035 175.6140 58 Y 4.1882 8.3027 120.5108 60.7625 38.9710 177.5151 59 L 3.5533 7.9239 119.8893 57.7509 41.6896 179.5278 60 R 4.0228 8.4505 118.7712 59.7729 30.0180 178.3692 61 N 4.3525 7.9167 116.3271 56.0957 38.4010 177.1876 62 E 3.7101 8.1554 121.1586 59.1887 29.6549 178.8934 63 F 4.2935 8.2956 118.2922 60.3880 38.9453 177.1268 64 E 3.9611 8.5664 118.8896 59.4149 29.2472 178.8032 65 A 4.1436 7.9523 119.2274 55.1012 18.8511 178.9487 66 F 4.3061 8.5866 119.5173 61.3785 39.4364 177.2890 67 G 3.7593 8.6578 105.7187 48.2356 0.0000 175.2847 68 Q 4.0065 8.0388 120.9230 58.9972 28.5266 179.4595 69 T 3.9137 7.4617 108.8783 63.6977 68.7164 175.4406 70 L 4.4137 7.3128 119.2659 53.2637 42.5404 175.6077 71 N 4.2645 7.8941 114.7696 54.5381 36.2938 174.2408 72 V 4.7083 7.5493 108.2003 59.5809 36.5341 175.2226 73 K 4.5323 9.1238 124.4400 55.0919 33.8134 175.0673 74 I 5.1046 8.4627 127.7224 59.6289 39.7857 174.5867 75 N 5.1908 9.0659 123.8514 51.4148 42.0653 173.4079 76 I 4.9880 8.2851 120.7588 59.4161 41.4346 174.2533 77 Q 4.6297 8.9479 127.2965 53.7706 31.9238 175.1792 78 S 4.2996 8.3142 118.4935 58.0561 63.1745 174.6423 79 A 4.3399 9.1206 128.4895 54.1580 17.9873 179.6529 80 A 4.1386 7.7667 119.2757 55.1864 18.0346 179.7287 81 I 3.2606 7.0214 117.4674 63.8605 37.0723 177.0885 82 F 4.7007 7.7406 116.5904 58.0901 39.8605 175.7187 83 E 4.2842 7.7344 124.1653 56.5366 30.4256 174.9759 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 N 8.42 4.75 0.00 2.76 2.86 0.00 0.00 6.82 6.46 0.00 0.00 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 A 8.51 4.38 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 2 K 8.10 4.75 0.00 1.91 1.72 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.40 7.81 3 A 8.43 5.19 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.93 4.85 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.89 0.00 0.00 5 I 8.86 4.84 1.69 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.41 0.58 0.00 0.00 6 T 8.79 4.63 4.21 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 1.17 0.00 0.00 7 V 8.26 4.83 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 1.06 0.00 0.00 0.94 0.00 0.00 8 V 8.77 4.47 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 0.77 0.00 0.00 0.88 0.00 0.00 9 G 8.76 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 0.00 0.00 0.00 0.00 10 K 8.93 4.39 0.00 1.80 1.85 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.65 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.41 1.62 7.81 11 D 7.86 4.89 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 3.26 0.00 0.79 1.12 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 0.95 7.81 13 S 8.87 4.05 0.00 3.78 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 14 G 8.86 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 0.00 0.00 0.00 0.00 15 I 7.75 3.80 2.10 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 1.56 1.18 1.15 0.00 0.00 16 V 7.88 3.70 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 1.21 0.00 0.00 1.19 0.00 0.00 17 A 8.11 4.12 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 18 G 8.26 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 0.00 0.00 0.00 19 V 8.39 3.85 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 1.22 0.00 0.00 1.23 0.00 0.00 20 S 8.54 4.25 0.00 4.10 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 21 G 8.22 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 0.00 0.00 0.00 22 K 8.00 3.55 0.00 0.85 1.65 0.00 1.20 0.00 0.00 0.84 0.00 0.00 2.68 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.46 0.89 7.81 23 I 8.05 3.83 2.07 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 1.61 0.76 1.00 0.00 0.00 24 A 8.19 3.99 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 25 E 8.38 3.86 0.00 1.92 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 2.26 2.30 0.00 26 L 7.75 4.37 0.00 1.73 1.60 0.23 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.77 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 28 L 7.61 4.69 0.00 1.61 1.63 1.02 1.01 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 29 N 9.37 4.66 0.00 2.69 2.73 0.00 0.00 6.98 7.99 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 30 I 8.26 4.55 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.92 0.00 0.00 31 D 9.08 4.59 0.00 2.67 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 32 D 7.82 4.73 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.98 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.92 0.00 0.00 34 S 8.36 4.73 0.00 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.59 0.00 1.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 36 T 8.62 4.60 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 37 V 8.59 4.28 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 0.79 0.00 0.00 1.13 0.00 0.00 38 L 9.23 4.60 0.00 1.68 1.55 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.36 4.33 0.00 2.90 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 0.00 0.00 0.00 40 E 8.81 4.31 0.00 1.27 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 0.00 2.14 2.11 0.00 41 Y 8.06 4.96 0.00 3.03 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 42 F 8.80 5.16 0.00 3.13 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 43 T 8.06 5.21 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 1.10 0.00 0.00 *46 A 8.30 4.50 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 47 V 8.50 4.64 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 1.05 0.00 0.00 0.91 0.00 0.00 48 V 8.77 5.22 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 0.76 0.00 0.00 0.95 0.00 0.00 49 S 8.79 4.97 0.00 3.89 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 50 S 8.33 4.93 0.00 3.87 3.67 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 0.00 0.00 0.00 0.00 51 D 8.87 4.76 0.00 2.70 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 52 E 7.77 4.81 0.00 1.93 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 2.23 2.24 0.00 53 K 8.54 4.17 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 54 Q 8.37 4.54 0.00 1.71 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 55 D 8.14 4.82 0.00 2.79 2.63 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 0.00 0.00 0.00 56 F 8.82 4.03 0.00 3.15 3.16 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 57 T 8.31 3.96 4.45 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 0.00 0.00 0.00 1.28 0.00 0.00 58 Y 8.30 4.19 0.00 3.14 3.16 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 59 L 7.92 3.55 0.00 1.65 1.76 0.52 0.57 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 60 R 8.45 4.02 0.00 2.20 2.00 0.00 3.16 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 1.71 1.81 0.00 61 N 7.92 4.35 0.00 3.04 2.84 0.00 0.00 6.72 7.54 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 62 E 8.16 3.71 0.00 1.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 63 F 8.30 4.29 0.00 3.19 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 64 E 8.57 3.96 0.00 2.32 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 2.36 2.52 0.00 65 A 7.95 4.14 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 66 F 8.59 4.31 0.00 3.17 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 67 G 8.66 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 68 Q 8.04 4.01 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 69 T 7.46 3.91 4.13 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 1.19 0.00 0.00 70 L 7.31 4.41 0.00 1.44 1.61 0.76 0.74 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 71 N 7.89 4.26 0.00 2.85 2.93 0.00 0.00 6.67 8.89 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 72 V 7.55 4.71 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 0.81 0.00 0.00 1.02 0.00 0.00 73 K 9.12 4.53 0.00 1.83 1.67 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.45 7.81 74 I 8.46 5.10 2.19 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.84 0.00 0.00 75 N 9.07 5.19 0.00 2.67 2.67 0.00 0.00 6.00 6.90 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 76 I 8.29 4.99 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.95 1.12 0.00 0.00 77 Q 8.95 4.63 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 78 S 8.31 4.30 0.00 2.72 3.20 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 79 A 9.12 4.34 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.77 4.14 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 81 I 7.02 3.26 1.39 0.00 0.00 0.62 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 0.18 -0.02 0.00 0.00 82 F 7.74 4.70 0.00 3.07 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 83 E 7.73 4.28 0.00 2.02 1.80 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 2.30 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.