NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 G 4.1001 8.3549 109.7364 45.6171 0.0000 173.1060 0 H 4.2600 7.7143 122.0090 54.3028 30.4350 171.2488 2 P 4.6080 0.0000 0.0000 61.7441 33.6827 174.5237 3 A 4.0074 7.9626 122.7615 52.1450 18.9226 176.8317 4 Y 4.2946 8.2868 119.6464 56.1978 40.3337 175.0725 5 V 4.3404 7.8794 124.4716 60.7911 34.3942 174.0747 6 F 5.2178 8.5935 125.9392 55.1974 41.7452 175.5514 7 S 4.3453 9.3806 120.7219 58.6586 63.8641 176.0741 8 K 4.1057 8.9607 126.2875 60.4233 31.3576 180.1422 9 E 4.2495 8.2647 119.5111 59.4657 29.3733 179.5883 10 S 4.3562 8.5028 115.0528 61.1892 62.9131 176.5159 11 F 3.9840 8.7712 124.2059 61.1087 39.1467 177.1070 12 L 3.7236 8.1048 118.6751 57.6195 41.3479 179.7310 13 K 3.9110 8.1415 118.3128 59.2999 31.8040 178.9064 14 F 3.9953 7.9989 119.8045 61.3897 39.4539 176.7266 15 L 3.5919 7.4666 118.1926 57.6917 40.8890 179.1690 16 E 3.8973 8.0494 119.1501 59.2738 29.3293 179.1627 17 G 3.2559 8.0105 104.6311 47.0736 0.0000 174.3050 18 H 4.7467 7.5732 115.3486 54.3687 29.5936 174.5957 19 L 4.2948 6.9520 124.1233 53.4205 40.9284 177.0887 20 E 4.1437 8.4899 122.5963 56.0855 30.5751 175.4799 21 D 4.4091 8.8852 120.4128 57.8336 39.7933 179.8473 22 D 4.9178 7.8789 116.2602 53.0313 40.1906 178.5400 23 V 4.3516 7.0878 112.1962 60.9589 33.2830 175.7960 24 V 4.4139 7.9737 113.8526 59.5517 34.6434 175.4418 25 V 4.1949 8.0565 120.7469 61.0403 32.6136 175.1358 26 V 3.8631 8.2453 127.6444 61.8668 32.1403 174.9678 27 V 4.2938 8.1910 126.4840 60.8602 33.6315 174.3150 28 S 4.7503 8.4463 120.8943 56.7062 64.7825 173.3088 29 S 4.9386 8.8322 120.7986 58.4131 63.3868 174.5126 30 D 4.7270 8.2641 124.0271 53.8024 39.8436 173.4008 31 V 4.1829 7.9996 120.8054 62.3928 31.7913 175.2321 32 T 4.4037 8.7035 118.9955 62.4492 69.8565 174.1922 33 D 4.6075 7.7527 119.6084 53.9816 44.6187 173.8958 34 F 5.8441 8.7326 124.3685 58.2177 42.7211 172.5758 35 C 4.6501 7.2632 118.7745 57.9195 32.5755 172.0620 36 K 5.3175 8.5942 117.4101 54.8226 34.8253 176.1326 37 K 4.7689 9.3404 121.2130 55.0335 36.9259 175.3029 38 L 5.4717 8.5114 121.6089 53.7733 44.3515 176.1833 39 S 4.7779 9.0708 117.5599 57.5120 66.5420 174.1841 40 E 4.4902 8.9385 121.4143 58.2822 30.3977 173.6615 41 S 4.5422 8.6987 113.9767 59.2516 62.7538 175.9705 *43 V 3.7579 8.9220 107.8801 60.6942 33.4411 176.1766 44 G 3.9011 8.1244 106.7509 44.3605 0.0000 172.5517 45 E 4.4279 8.3541 119.3913 56.2675 30.3068 175.9036 46 K 4.7622 9.0842 124.2714 54.6124 37.1363 174.4402 47 E 5.1887 8.3799 121.4101 54.7522 32.2993 174.4652 48 Y 4.6643 9.1190 123.1790 56.3649 42.0324 174.3138 49 C 4.9471 8.4507 119.2908 58.5722 30.4488 173.0954 50 F 4.6838 8.9785 120.5070 55.5523 41.8619 173.9421 51 A 5.1621 8.7742 124.8677 50.0205 21.6519 174.4221 52 E 4.7939 8.8454 123.4091 54.3548 32.5172 174.7769 53 F 5.5320 9.0156 123.4489 55.7526 42.8637 173.9106 54 A 4.9924 8.7324 123.5895 50.5243 21.3019 176.2198 55 F 4.9182 7.7904 112.8226 54.8810 40.4460 172.4446 56 P 4.3868 0.0000 0.0000 62.9075 31.9224 176.4816 57 A 4.5335 8.6249 123.4946 54.6276 18.7924 178.9757 58 D 4.6009 8.1418 114.3391 55.1365 39.5273 177.1093 59 I 3.9187 7.5263 112.4143 61.7303 38.4001 175.5085 60 F 4.7444 8.0087 123.1867 56.9960 40.0171 177.0758 61 D 4.7719 8.4731 125.4554 50.6614 38.3327 172.0463 62 A 4.5292 7.5661 123.7559 49.7312 22.3026 177.1770 63 D 4.7176 8.9692 123.1207 52.1410 42.2353 177.5154 64 E 3.8728 8.6219 121.2599 60.3380 29.5869 178.9837 65 D 4.3407 8.0012 120.5275 58.0982 39.6671 179.9064 66 E 4.0862 8.0945 118.3577 59.8084 29.6176 179.3084 67 I 3.5620 7.5570 118.3504 64.1422 37.0719 177.6711 68 D 4.4114 7.9686 118.6327 56.7540 42.1640 177.3490 69 E 4.1432 7.6563 120.5035 54.5229 27.0723 175.9478 *72 K 4.0352 7.0080 117.7981 57.1788 34.3517 175.1833 73 Y 4.6903 7.9782 115.7604 56.5725 42.0025 174.4558 74 A 4.5437 8.5324 125.8028 50.7961 20.5880 176.8627 75 I 4.5220 7.9256 113.6963 58.8573 40.5748 175.0125 76 V 4.2478 7.7566 121.5781 61.0468 34.1758 174.4503 77 F 4.3925 8.7737 125.8774 56.0578 39.3924 175.4049 78 V 4.3330 8.1393 125.5000 60.4741 33.4813 174.9456 79 E 4.1205 8.7811 126.8893 56.5657 30.2571 178.4995 80 K 4.0018 8.7529 121.5620 59.6044 32.3544 179.0758 81 E 3.9805 8.2654 117.0804 58.9269 29.4046 177.8053 82 K 4.4342 7.9211 116.1658 55.9762 32.3190 176.2209 83 L 4.4797 7.3672 119.2088 53.4242 43.0165 177.3369 84 S 4.4524 8.1616 116.9194 57.5223 65.4620 174.6799 85 E 3.8608 8.6817 120.8863 59.5711 29.2760 178.4121 86 A 4.0528 7.9851 120.2935 55.1502 18.2766 179.7295 87 G 3.6127 8.1782 103.7305 47.7357 0.0000 176.0214 88 R 4.0642 8.1542 120.4344 59.2624 29.9273 178.7520 89 N 4.2897 8.3384 115.1693 55.7629 38.5730 176.3381 90 A 4.3504 7.2309 118.5005 51.3832 19.4140 177.3752 91 I 3.8271 6.8356 119.6346 61.1583 37.7809 176.4905 92 R 4.0864 9.1014 124.1316 56.4542 29.9245 176.3488 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 *-1 G 8.35 4.10 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 0.00 0.00 0.00 0 H 7.71 4.26 0.00 2.14 2.26 0.00 5.89 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.61 0.00 1.47 1.75 0.00 3.79 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 1.93 2.02 0.00 3 A 7.96 4.01 1.10 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 0.00 0.00 4 Y 8.29 4.29 0.00 2.86 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 5 V 7.88 4.34 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 0.95 0.00 0.00 0.83 0.00 0.00 6 F 8.59 5.22 0.00 2.86 3.07 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 0.00 0.00 0.00 7 S 9.38 4.35 0.00 4.03 4.20 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 8 K 8.96 4.11 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.12 7.81 9 E 8.26 4.25 0.00 2.06 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 2.44 2.45 0.00 10 S 8.50 4.36 0.00 4.29 4.25 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 11 F 8.77 3.98 0.00 3.07 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 12 L 8.10 3.72 0.00 1.85 1.64 0.96 0.63 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 13 K 8.14 3.91 0.00 2.01 1.88 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 14 F 8.00 4.00 0.00 2.55 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 15 L 7.47 3.59 0.00 1.50 1.40 0.28 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.05 3.90 0.00 1.99 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 2.25 2.30 0.00 17 G 8.01 3.26 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 0.00 0.00 0.00 0.00 18 H 7.57 4.75 0.00 2.43 3.12 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 6.95 4.29 0.00 1.37 1.56 0.81 0.76 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 20 E 8.49 4.14 0.00 1.89 1.83 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 2.31 1.88 0.00 21 D 8.89 4.41 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.88 4.92 0.00 2.68 2.56 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 23 V 7.09 4.35 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 0.84 0.00 0.00 0.98 0.00 0.00 24 V 7.97 4.41 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 0.69 0.00 0.00 0.91 0.00 0.00 25 V 8.06 4.19 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 0.78 0.00 0.00 0.91 0.00 0.00 26 V 8.25 3.86 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 0.57 0.00 0.00 0.77 0.00 0.00 27 V 8.19 4.29 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 0.87 0.00 0.00 0.92 0.00 0.00 28 S 8.45 4.75 0.00 3.98 3.74 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 29 S 8.83 4.94 0.00 4.12 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 30 D 8.26 4.73 0.00 2.98 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 31 V 8.00 4.18 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 0.76 0.00 0.00 0.75 0.00 0.00 32 T 8.70 4.40 4.25 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 1.24 0.00 0.00 33 D 7.75 4.61 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 5.84 0.00 3.02 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 35 C 7.26 4.65 0.00 2.92 2.95 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 36 K 8.59 5.32 0.00 1.64 1.76 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.28 1.46 7.81 37 K 9.34 4.77 0.00 1.71 1.57 0.00 0.66 0.00 0.00 1.26 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.94 7.81 38 L 8.51 5.47 0.00 1.55 1.74 0.98 0.88 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 39 S 9.07 4.78 0.00 3.94 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 40 E 8.94 4.49 0.00 1.78 1.78 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 2.23 1.88 0.00 41 S 8.70 4.54 0.00 3.90 3.66 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 0.00 0.00 0.00 0.00 *43 V 8.92 3.76 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 0.71 0.00 0.00 0.94 0.00 0.00 44 G 8.12 3.90 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 0.00 0.00 0.00 45 E 8.35 4.43 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 46 K 9.08 4.76 0.00 1.76 1.41 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 47 E 8.38 5.19 0.00 1.87 1.65 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 2.16 2.31 0.00 48 Y 9.12 4.66 0.00 2.80 2.20 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 49 C 8.45 4.95 0.00 2.76 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 50 F 8.98 4.68 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.77 5.16 1.33 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 0.00 0.00 0.00 52 E 8.85 4.79 0.00 2.07 1.74 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 2.22 2.30 0.00 53 F 9.02 5.53 0.00 3.11 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 54 A 8.73 4.99 1.30 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 0.00 0.00 55 F 7.79 4.92 0.00 3.22 3.12 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 0.00 0.00 0.00 56 P 0.00 4.39 0.00 2.25 2.15 0.00 3.97 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 57 A 8.62 4.53 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 0.00 0.00 0.00 0.00 0.00 58 D 8.14 4.60 0.00 3.07 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 59 I 7.53 3.92 1.61 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 1.07 -0.36 0.83 0.00 0.00 60 F 8.01 4.74 0.00 3.31 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 61 D 8.47 4.77 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.53 1.23 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 0.00 0.00 0.00 63 D 8.97 4.72 0.00 2.94 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 64 E 8.62 3.87 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 2.34 2.33 0.00 65 D 8.00 4.34 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 66 E 8.09 4.09 0.00 2.18 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 2.33 2.44 0.00 67 I 7.56 3.56 1.63 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.01 0.55 0.00 0.00 68 D 7.97 4.41 0.00 2.79 2.78 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 69 E 7.66 4.14 0.00 2.19 1.85 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 2.30 2.33 0.00 *72 K 7.01 4.04 0.00 1.84 1.77 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.36 7.81 73 Y 7.98 4.69 0.00 3.03 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 74 A 8.53 4.54 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 75 I 7.93 4.52 1.37 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.91 0.00 0.00 76 V 7.76 4.25 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 0.89 0.00 0.00 1.00 0.00 0.00 77 F 8.77 4.39 0.00 3.07 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 78 V 8.14 4.33 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 0.84 0.00 0.00 0.91 0.00 0.00 79 E 8.78 4.12 0.00 2.12 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 2.42 2.43 0.00 80 K 8.75 4.00 0.00 1.82 1.86 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.48 7.81 81 E 8.27 3.98 0.00 2.21 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 0.00 2.32 1.93 0.00 82 K 7.92 4.43 0.00 2.17 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.26 7.81 83 L 7.37 4.48 0.00 1.62 1.56 0.95 1.00 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 84 S 8.16 4.45 0.00 4.02 3.99 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 0.00 0.00 0.00 85 E 8.68 3.86 0.00 2.03 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 2.35 2.37 0.00 86 A 7.99 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.15 4.06 0.00 2.11 1.96 0.00 3.26 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 1.65 1.54 0.00 89 N 8.34 4.29 0.00 2.80 2.85 0.00 0.00 7.01 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 90 A 7.23 4.35 1.23 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 0.00 0.00 0.00 91 I 6.84 3.83 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.90 0.00 0.00 92 R 9.10 4.09 0.00 1.64 1.83 0.00 2.38 0.00 0.00 2.59 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.