NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3906 8.3349 115.4130 58.0134 63.9868 172.7752 1 L 4.2483 8.1703 125.9172 51.5405 42.6287 174.4882 2 K 4.4880 8.1257 121.0125 58.0275 36.1183 174.5596 3 G 3.9838 8.2929 107.0396 44.3439 0.0000 171.5952 4 L 4.1960 8.5204 118.8929 56.1042 41.4758 177.4396 5 R 4.4977 9.6625 124.0505 57.2908 32.6101 176.4750 6 R 5.2310 7.6474 116.9525 55.0216 34.0217 173.8876 7 L 5.2266 9.1408 123.8035 53.0793 46.6814 175.5998 8 V 4.8144 8.7785 122.5885 61.4127 33.7916 173.9539 9 L 5.1310 9.1931 128.9293 53.0239 44.6679 175.5748 10 D 5.0422 9.3481 124.0128 53.2633 42.1217 174.9232 11 V 5.2556 8.5164 126.4406 60.1012 34.2886 173.8164 12 L 5.1821 8.2244 128.9318 53.1141 44.5099 174.9333 13 K 4.8325 8.7794 124.3776 54.6070 36.2226 174.0062 14 P 4.7074 0.0000 0.0000 63.0875 31.7721 176.3153 15 H 4.4432 8.1393 118.1992 58.8526 28.7537 176.1288 16 E 4.6728 7.8375 116.9009 53.7888 31.0954 174.2583 17 P 4.5577 0.0000 0.0000 61.9625 32.2263 175.9879 18 K 4.1718 8.4526 118.9605 56.6388 32.8134 178.3661 19 T 3.8989 8.3951 110.7787 64.8693 68.6931 176.7011 20 I 3.7760 7.8458 115.4999 63.6512 37.3448 178.3927 21 V 3.5893 7.6410 119.8664 66.1157 31.4659 177.9083 22 F 3.9009 8.6654 116.8461 60.4391 38.7027 177.5092 23 A 3.9795 8.2283 120.3109 55.0452 18.1060 179.0380 24 L 3.9490 7.6212 118.6945 57.7550 42.5239 179.1407 25 K 4.0840 8.1765 118.0439 59.5276 31.8533 179.4648 26 L 4.0658 7.8248 119.1001 57.4687 41.2396 178.9640 27 S 4.4855 8.8375 112.7549 59.5404 62.7486 174.9028 28 E 4.6274 7.5038 121.0381 55.4812 30.2892 175.3893 29 L 4.4534 6.9221 119.2587 53.4621 42.7064 176.2913 30 E 3.9372 8.4884 120.9020 60.4439 29.9535 179.6141 31 N 4.7620 8.0468 111.7280 53.1141 37.0226 174.0165 32 V 4.7125 7.6779 118.9307 61.9338 33.4218 175.1468 33 D 4.5543 8.9342 127.7386 57.0230 42.1692 176.4503 34 G 4.2903 7.5506 102.6235 45.8698 0.0000 172.6304 35 V 5.1620 8.3655 119.1641 61.0644 35.0373 173.7124 36 N 5.0515 9.1157 125.0124 51.8501 42.0323 172.6996 37 I 4.8564 8.5443 126.5235 59.8178 39.6508 174.2201 38 H 4.7419 9.1560 128.0296 53.9718 31.9251 172.9698 39 L 3.9735 8.3206 128.7898 55.3137 41.6938 176.3869 40 S 4.4085 9.2023 125.0327 60.1410 62.5035 173.9794 41 E 4.7921 7.8647 118.6908 54.5406 33.9638 173.5946 42 I 4.7840 8.3392 123.7992 59.7733 38.6183 174.9019 43 D 5.0190 8.7211 126.7692 52.0907 43.6833 176.7886 44 Q 4.2237 8.8111 117.7696 59.0934 28.7079 177.9474 45 A 4.6294 7.8188 114.8187 51.1662 20.8584 174.5267 46 T 4.8892 7.4537 105.1247 59.9532 72.8867 172.3669 47 E 5.0645 8.5641 118.0686 55.2251 34.6671 174.4550 48 N 5.5362 9.3268 120.4911 51.5246 41.6448 173.6709 49 I 5.0009 8.7797 117.2824 58.8204 41.7998 174.4071 50 K 4.9030 9.2577 125.4283 55.0930 34.0875 174.8583 51 I 4.8579 8.7677 129.9348 60.2053 39.2737 175.0755 52 T 4.9469 9.0058 125.4132 62.1123 70.4816 173.6718 53 I 4.8154 8.9355 129.1169 59.5052 39.4536 174.6994 54 L 4.9132 8.4251 129.9124 52.9667 43.9340 174.4444 55 G 4.5652 9.1864 115.4517 45.8735 0.0000 174.3457 56 N 4.7077 9.5129 123.2963 53.5570 42.5628 173.8610 57 N 4.1240 8.5658 122.6953 55.0415 38.7686 173.5840 58 L 3.6149 7.0260 114.7757 51.8287 42.1879 176.2098 59 D 4.7882 8.4374 121.2349 52.5945 42.3482 176.3665 60 Y 4.0804 8.5287 128.3418 61.0061 39.1514 177.3464 61 E 3.8412 8.5323 118.9661 59.6104 29.5256 179.2568 62 Q 3.8814 8.1095 118.6712 59.3333 29.4519 178.0533 63 I 3.6426 7.9091 121.1509 64.2575 37.1109 178.3821 64 K 3.8558 8.5068 121.0391 59.0543 31.7924 179.2711 65 G 3.4244 7.7403 105.8010 47.7697 0.0000 175.6829 66 V 3.4848 7.4683 120.0543 65.8687 31.7233 177.8968 67 I 3.6910 7.5676 118.8516 64.1953 36.6928 178.0257 68 E 4.3575 7.8754 118.1882 58.1385 29.8506 177.0406 69 D 4.6650 8.0604 119.6309 54.4235 41.5923 177.4390 *71 G 3.9083 8.1022 107.9539 45.0188 0.0000 173.5191 72 G 4.2735 8.0619 107.4820 46.3768 0.0000 173.3594 73 V 4.4369 7.8288 115.8648 60.7879 35.0108 172.7604 74 I 4.2974 8.4325 125.6692 60.8261 36.8506 175.2927 75 H 4.7661 9.5058 126.5688 58.1954 29.5713 176.4191 76 S 4.5753 7.7079 109.1629 57.6769 65.4598 176.3052 77 V 4.4104 8.6010 123.1407 62.1289 30.7911 174.8956 78 D 4.6430 9.0935 129.7109 56.6021 41.8317 177.1696 79 E 4.7052 7.9779 118.3489 54.5657 33.3485 174.1443 80 V 4.8839 8.4558 125.7434 61.0367 34.6228 174.4426 81 V 4.4797 8.8513 127.1537 61.0844 33.9265 173.9697 82 A 5.0024 9.4469 128.9067 50.3797 22.0911 176.3179 83 G 3.6471 7.6902 107.2758 44.8790 0.0000 173.7621 84 K 4.3559 8.3040 118.0016 56.8105 32.9436 177.0956 85 I 4.4229 7.3401 118.4027 58.8445 39.2557 175.1326 86 I 3.6948 8.4218 125.9309 61.6886 37.0412 175.3942 87 V 4.2895 8.2467 125.5225 61.0521 33.0132 174.8691 88 E 4.5844 8.3888 126.0460 54.6394 31.3101 175.6690 89 S 4.2604 8.3373 115.7231 58.2103 63.2566 174.3254 90 V 3.9081 8.2450 125.2536 63.0569 31.2870 175.4133 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 0 S 8.33 4.39 0.00 4.00 3.96 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 1 L 8.17 4.25 0.00 1.81 1.64 0.92 0.42 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 2 K 8.13 4.49 0.00 1.87 1.89 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 3 G 8.29 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 0.00 0.00 0.00 4 L 8.52 4.20 0.00 1.70 1.70 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 5 R 9.66 4.50 0.00 1.80 1.95 0.00 3.29 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 6 R 7.65 5.23 0.00 1.85 1.71 0.00 3.13 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 7 L 9.14 5.23 0.00 1.62 1.54 1.10 1.08 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 8 V 8.78 4.81 2.19 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 1.09 0.00 0.00 1.00 0.00 0.00 9 L 9.19 5.13 0.00 1.62 1.59 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.35 5.04 0.00 2.92 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 11 V 8.52 5.26 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 1.35 0.00 0.00 1.00 0.00 0.00 12 L 8.22 5.18 0.00 1.69 1.20 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.78 4.83 0.00 1.69 1.68 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.03 1.16 7.81 14 P 0.00 4.71 0.00 2.13 2.03 0.00 3.73 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 2.05 2.11 0.00 15 H 8.14 4.44 0.00 3.28 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.84 4.67 0.00 1.98 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 2.27 2.24 0.00 17 P 0.00 4.56 0.00 2.30 2.12 0.00 4.04 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.08 0.00 18 K 8.45 4.17 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.40 7.81 19 T 8.40 3.90 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 1.08 0.00 0.00 20 I 7.85 3.78 1.90 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 1.56 0.82 0.93 0.00 0.00 21 V 7.64 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 22 F 8.67 3.90 0.00 3.27 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 23 A 8.23 3.98 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 24 L 7.62 3.95 0.00 1.94 1.74 0.93 0.48 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 25 K 8.18 4.08 0.00 1.70 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.53 7.81 26 L 7.82 4.07 0.00 1.93 1.72 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.84 4.49 0.00 4.00 4.17 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 28 E 7.50 4.63 0.00 2.10 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 2.24 2.38 0.00 29 L 6.92 4.45 0.00 1.58 1.57 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.49 3.94 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 2.40 2.32 0.00 31 N 8.05 4.76 0.00 3.19 3.04 0.00 0.00 5.48 7.68 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 32 V 7.68 4.71 2.19 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 0.88 0.00 0.00 0.94 0.00 0.00 33 D 8.93 4.55 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 4.29 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 0.00 35 V 8.37 5.16 2.11 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 0.84 0.00 0.00 0.98 0.00 0.00 36 N 9.12 5.05 0.00 2.79 2.62 0.00 0.00 6.91 7.18 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 37 I 8.54 4.86 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.88 0.00 0.00 38 H 9.16 4.74 0.00 3.19 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.32 3.97 0.00 1.60 1.48 0.96 0.97 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 40 S 9.20 4.41 0.00 3.90 3.83 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 41 E 7.86 4.79 0.00 1.98 1.71 0.00 0.00 0.00 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 2.31 0.00 42 I 8.34 4.78 1.87 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 1.33 0.78 0.93 0.00 0.00 43 D 8.72 5.02 0.00 2.74 2.58 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 44 Q 8.81 4.22 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 45 A 7.82 4.63 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 4.89 4.18 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 1.16 0.00 0.00 47 E 8.56 5.06 0.00 2.02 1.72 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 2.20 2.32 0.00 48 N 9.33 5.54 0.00 2.56 2.68 0.00 0.00 6.61 6.83 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 49 I 8.78 5.00 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.80 0.00 0.00 50 K 9.26 4.90 0.00 2.02 1.75 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.45 7.81 51 I 8.77 4.86 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 1.26 0.73 0.96 0.00 0.00 52 T 9.01 4.95 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 53 I 8.94 4.82 1.91 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 1.14 0.81 0.93 0.00 0.00 54 L 8.43 4.91 0.00 1.79 1.51 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.19 4.57 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 0.00 0.00 0.00 56 N 9.51 4.71 0.00 2.77 2.63 0.00 0.00 7.28 6.87 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 57 N 8.57 4.12 0.00 2.93 2.86 0.00 0.00 7.33 7.14 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 58 L 7.03 3.61 0.00 1.83 1.65 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.44 4.79 0.00 2.74 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 60 Y 8.53 4.08 0.00 3.07 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 61 E 8.53 3.84 0.00 2.20 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 0.00 2.50 2.38 0.00 62 Q 8.11 3.88 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 63 I 7.91 3.64 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.26 0.88 0.00 0.00 64 K 8.51 3.86 0.00 1.10 1.69 0.00 1.50 0.00 0.00 1.54 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.27 7.81 65 G 7.74 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 0.00 0.00 0.00 66 V 7.47 3.48 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 0.72 0.00 0.00 0.93 0.00 0.00 67 I 7.57 3.69 2.05 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 1.60 0.53 1.01 0.00 0.00 68 E 7.88 4.36 0.00 2.04 1.98 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 2.31 2.53 0.00 69 D 8.06 4.67 0.00 2.54 2.61 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 *71 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 72 G 8.06 4.27 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 0.00 73 V 7.83 4.44 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 0.51 0.00 0.00 0.94 0.00 0.00 74 I 8.43 4.30 1.90 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 1.36 0.56 1.05 0.00 0.00 75 H 9.51 4.77 0.00 3.18 3.35 0.00 5.70 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 76 S 7.71 4.58 0.00 3.86 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 77 V 8.60 4.41 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 0.81 0.00 0.00 1.00 0.00 0.00 78 D 9.09 4.64 0.00 2.61 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 79 E 7.98 4.71 0.00 1.99 1.73 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 2.27 2.30 0.00 80 V 8.46 4.88 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 0.81 0.00 0.00 0.90 0.00 0.00 81 V 8.85 4.48 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 0.93 0.00 0.00 1.00 0.00 0.00 82 A 9.45 5.00 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 83 G 7.69 3.65 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 0.00 0.00 0.00 84 K 8.30 4.36 0.00 1.75 1.87 0.00 1.76 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 85 I 7.34 4.42 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 0.86 0.91 0.00 0.00 86 I 8.42 3.69 1.87 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 1.30 0.74 0.91 0.00 0.00 87 V 8.25 4.29 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 0.82 0.00 0.00 1.02 0.00 0.00 88 E 8.39 4.58 0.00 1.99 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 2.24 2.22 0.00 89 S 8.34 4.26 0.00 3.83 3.75 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 90 V 8.25 3.91 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 0.83 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.