NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7196 8.3044 120.2785 55.1933 33.7413 173.9796 2 K 4.2701 9.2839 124.6971 54.0620 33.9478 173.2645 3 K 5.0686 9.0415 130.2207 54.6106 34.8769 174.4047 4 A 4.9314 9.2555 128.1220 50.0911 22.5210 174.8979 5 V 4.7306 9.1758 121.3820 61.0686 34.5156 174.7123 6 I 4.2049 8.6723 128.8033 59.6002 39.6299 174.5460 7 N 4.8328 8.6760 125.5401 51.6582 38.6532 176.0770 8 G 3.7924 9.0628 115.4972 48.4115 0.0000 174.1628 9 E 4.0909 8.1497 116.3624 58.3633 29.8599 177.4600 10 Q 4.2091 8.0124 117.2961 56.3758 29.3103 175.7036 11 I 4.0273 7.3904 119.9492 61.0105 36.8193 175.7658 12 R 4.5044 8.9131 124.4817 55.4643 30.9233 176.2183 13 S 5.3587 7.1911 113.7599 57.3965 66.2490 176.4536 14 I 3.7608 7.9845 121.3297 64.1362 37.6116 177.8992 15 S 4.1519 8.0491 115.7632 61.6438 62.7159 176.0381 16 D 4.3591 8.0537 121.5281 57.2412 40.5164 178.5527 17 L 3.8570 7.9353 120.6093 58.7370 42.0314 178.8793 18 H 4.3138 8.4560 116.1134 58.9851 28.5934 177.9198 19 Q 4.0531 8.7090 120.4320 59.1360 28.5267 178.8630 20 T 3.8077 8.1051 116.9021 66.5702 68.4012 176.5800 21 L 3.9194 8.0289 120.9970 57.6619 41.5744 179.4190 22 K 3.5005 8.1392 119.6835 59.2400 32.1788 178.7868 23 K 3.8587 7.9471 119.6633 59.7388 32.0332 178.8464 24 E 4.0103 8.4724 117.6401 58.4677 29.4123 178.2979 25 L 4.3857 7.9313 116.2700 53.0278 42.9304 175.8881 26 A 3.6775 7.6035 120.3579 53.1544 16.3316 177.5103 27 L 3.8660 7.7295 120.6007 53.5943 42.9009 176.1417 28 P 3.7728 0.0000 0.0000 62.2496 31.3244 177.2224 29 E 3.8109 8.2510 120.6636 59.2214 29.6822 177.3334 30 Y 4.3008 7.3793 114.3257 57.5144 38.2803 174.6440 31 Y 4.1265 7.6326 122.5263 58.1435 38.8628 176.9901 32 G 3.3886 8.5522 115.0552 45.5965 0.0000 172.5858 33 E 2.8954 5.9000 118.6046 55.9398 27.4954 173.4170 34 N 4.7790 6.6517 114.2747 50.7689 41.9696 174.6267 35 L 4.1090 8.4276 120.2731 58.0257 41.6246 179.5083 36 D 4.5013 8.2377 118.3486 57.1038 40.8566 178.4715 37 A 4.0836 8.8496 122.0171 54.9952 18.2994 179.4524 38 L 4.1187 8.3856 119.1384 57.9358 42.1073 178.8129 39 W 4.1117 8.4103 128.3862 60.6408 30.6605 177.2372 40 D 4.3694 8.4999 117.8608 57.8715 40.6321 178.2006 41 C 4.3268 8.2760 117.0073 62.6796 27.8339 176.1022 42 L 4.0441 7.8717 120.0670 57.6402 41.2312 179.0453 43 A 4.1264 7.7561 120.2446 54.2143 18.8230 178.6299 44 G 4.2334 8.0691 106.8903 43.1939 0.0000 172.8054 45 W 4.9306 7.9043 129.8475 58.0862 38.9200 174.3930 46 V 3.6405 8.1539 118.9224 62.7017 31.5085 175.3895 47 E 3.9270 8.2103 126.4638 56.0708 30.1948 175.4244 48 Y 4.9933 7.8608 121.8111 55.2602 41.8155 173.5883 49 P 4.8840 0.0000 0.0000 62.6937 32.9748 175.0832 50 L 5.2515 9.3714 124.4222 53.3138 45.6587 175.3490 51 V 4.7153 8.8434 125.2856 61.1913 34.3425 173.7262 52 L 4.9289 8.8937 131.4987 53.4326 43.9751 174.5051 53 E 4.9557 9.1582 128.5899 54.4536 31.7424 174.4535 54 W 5.0403 9.3320 135.0000 55.9937 32.2344 174.9847 55 R 4.7170 9.0999 126.7463 54.3195 32.1343 176.3841 56 Q 3.6065 8.6463 116.6157 56.6990 26.6016 176.0927 57 F 3.8514 8.6330 119.8859 61.4438 39.9299 174.6425 58 E 4.0452 8.3583 118.2437 59.6445 29.4668 178.6970 59 Q 4.0271 8.0726 117.6080 58.9371 28.6293 178.7562 60 S 4.2421 7.8548 114.0721 61.0055 63.3374 176.3864 61 K 3.9910 7.5286 122.1814 59.1154 31.4970 178.9051 62 Q 3.9867 7.5750 117.5703 58.6625 28.9779 177.9939 63 L 4.7115 7.9267 115.1975 54.5777 42.2471 177.1889 64 T 4.5933 7.6185 106.4968 60.4908 70.5482 174.5327 65 E 3.5974 7.7151 122.3521 58.8507 27.9147 175.1855 66 N 4.9442 8.7696 126.2266 54.1770 38.3696 176.2825 67 G 3.6364 8.3032 110.1899 47.1948 0.0000 176.1286 68 A 4.3635 7.8670 123.2830 55.0150 18.4229 179.6264 69 E 4.1278 8.2306 116.7853 59.6767 29.2976 179.6044 70 S 4.2467 8.2730 114.3929 61.4309 63.0271 176.7663 71 V 3.8635 8.4570 122.2323 65.7469 31.2814 177.6562 72 L 4.4451 8.5945 120.3030 58.6538 41.8222 179.0490 73 Q 4.0774 8.4434 117.9010 58.8383 28.6113 178.9053 74 V 3.7748 7.9968 119.1771 66.1718 31.6026 178.1163 75 F 4.1987 8.4546 117.4390 60.7757 38.7082 177.9526 76 R 4.1187 8.6122 118.0381 59.1139 29.8464 178.7412 77 E 4.0527 8.8382 119.5020 59.0601 29.7279 178.6201 78 A 4.0035 8.5214 121.0626 55.0591 18.3987 179.5443 79 K 4.1408 8.5611 119.2770 59.1138 32.0766 178.9001 80 A 4.0555 8.1574 120.2575 55.0567 18.3874 178.7262 81 E 4.2659 7.9460 114.7313 56.6922 29.8506 177.4421 82 G 4.0279 7.9552 106.2793 45.0859 0.0000 174.2688 83 C 3.6375 7.9469 118.9095 59.8584 29.3495 173.1214 84 D 4.6738 7.9622 123.4211 53.2902 40.1834 173.1550 85 I 5.1501 7.9248 122.5433 59.2161 40.4513 174.4688 86 T 4.6383 9.0179 123.6869 61.7829 71.0917 173.1665 87 I 4.7956 8.4661 126.9524 59.6065 39.5694 174.9715 88 I 4.3529 9.0225 128.9738 59.6459 39.2067 174.7510 89 L 4.8173 8.5244 130.4550 53.7183 42.7565 177.8712 *90 S 4.2696 8.8360 120.1010 58.3157 63.0369 169.9705 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 M 8.30 4.72 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 2 K 9.28 4.27 0.00 1.82 1.74 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.46 7.81 3 K 9.04 5.07 0.00 1.75 1.64 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.45 7.81 4 A 9.26 4.93 1.12 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 0.00 0.00 5 V 9.18 4.73 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 0.79 0.00 0.00 0.91 0.00 0.00 6 I 8.67 4.20 1.13 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.12 0.46 0.00 0.00 7 N 8.68 4.83 0.00 2.70 3.08 0.00 0.00 6.99 7.58 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 8 G 9.06 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.15 4.09 0.00 2.10 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 0.00 2.28 2.29 0.00 10 Q 8.01 4.21 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 11 I 7.39 4.03 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.96 0.00 0.00 12 R 8.91 4.50 0.00 1.81 1.92 0.00 3.36 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 13 S 7.19 5.36 0.00 3.99 3.92 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 0.00 0.00 0.00 14 I 7.98 3.76 1.92 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 1.72 1.54 0.95 0.00 0.00 15 S 8.05 4.15 0.00 3.92 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 16 D 8.05 4.36 0.00 2.88 2.71 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 0.00 0.00 0.00 17 L 7.94 3.86 0.00 1.77 1.84 0.64 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.46 4.31 0.00 3.27 3.50 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.71 4.05 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 20 T 8.11 3.81 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 1.08 0.00 0.00 21 L 8.03 3.92 0.00 1.85 1.66 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.14 3.50 0.00 1.93 1.95 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.30 7.81 23 K 7.95 3.86 0.00 1.89 1.86 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 24 E 8.47 4.01 0.00 1.90 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 0.00 2.40 2.55 0.00 25 L 7.93 4.39 0.00 1.55 1.65 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.60 3.68 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 27 L 7.73 3.87 0.00 1.17 0.92 -0.26 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.77 0.00 0.49 0.49 0.00 2.65 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.00 29 E 8.25 3.81 0.00 1.87 2.00 0.00 0.00 0.00 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 2.35 0.00 30 Y 7.38 4.30 0.00 2.99 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 31 Y 7.63 4.13 0.00 2.81 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 32 G 8.55 3.39 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 0.00 33 E 5.90 2.90 0.00 1.63 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 2.05 2.11 0.00 34 N 6.65 4.78 0.00 2.88 2.74 0.00 0.00 6.12 6.67 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 35 L 8.43 4.11 0.00 1.76 1.84 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.24 4.50 0.00 2.85 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 37 A 8.85 4.08 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 38 L 8.39 4.12 0.00 2.03 1.97 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.41 4.11 0.00 3.54 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 40 D 8.50 4.37 0.00 3.07 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 41 C 8.28 4.33 0.00 3.09 2.88 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 0.00 0.00 0.00 42 L 7.87 4.04 0.00 1.33 1.63 0.40 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.76 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.07 4.23 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 0.00 45 W 7.90 4.93 0.00 3.39 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 46 V 8.15 3.64 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 0.50 0.00 0.00 0.99 0.00 0.00 47 E 8.21 3.93 0.00 1.81 1.67 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 2.20 2.23 0.00 48 Y 7.86 4.99 0.00 3.01 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 49 P 0.00 4.88 0.00 2.13 2.20 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 50 L 9.37 5.25 0.00 1.95 1.81 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.84 4.72 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 0.77 0.00 0.00 0.95 0.00 0.00 52 L 8.89 4.93 0.00 1.58 1.36 0.66 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.16 4.96 0.00 2.06 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 2.25 2.27 0.00 54 W 9.33 5.04 0.00 3.46 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 55 R 9.10 4.72 0.00 1.89 1.90 0.00 3.36 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 56 Q 8.65 3.61 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 57 F 8.63 3.85 0.00 2.73 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 58 E 8.36 4.05 0.00 2.17 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 2.40 2.48 0.00 59 Q 8.07 4.03 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 60 S 7.85 4.24 0.00 4.17 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 61 K 7.53 3.99 0.00 1.86 1.81 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 1.11 7.81 62 Q 7.57 3.99 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.25 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 63 L 7.93 4.71 0.00 1.68 1.74 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.62 4.59 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 1.32 0.00 0.00 65 E 7.72 3.60 0.00 2.16 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 2.22 2.32 0.00 66 N 8.77 4.94 0.00 2.79 2.85 0.00 0.00 6.73 7.59 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 67 G 8.30 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 68 A 7.87 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.23 4.13 0.00 2.08 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 2.54 2.38 0.00 70 S 8.27 4.25 0.00 4.15 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 71 V 8.46 3.86 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 1.46 0.00 0.00 1.14 0.00 0.00 72 L 8.59 4.45 0.00 1.74 1.88 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.44 4.08 0.00 2.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 74 V 8.00 3.77 2.33 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 1.23 0.00 0.00 1.11 0.00 0.00 75 F 8.45 4.20 0.00 3.51 3.22 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 76 R 8.61 4.12 0.00 2.05 2.04 0.00 3.09 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 77 E 8.84 4.05 0.00 2.12 2.32 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 2.55 2.39 0.00 78 A 8.52 4.00 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 79 K 8.56 4.14 0.00 2.04 2.11 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.33 7.81 80 A 8.16 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.27 0.00 2.21 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 2.66 2.99 0.00 82 G 7.96 4.03 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 0.00 0.00 0.00 83 C 7.95 3.64 0.00 2.72 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 0.00 0.00 0.00 84 D 7.96 4.67 0.00 2.72 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 5.15 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 1.10 0.00 0.00 86 T 9.02 4.64 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 1.22 0.00 0.00 87 I 8.47 4.80 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.64 0.91 0.00 0.00 88 I 9.02 4.35 1.90 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 1.24 0.80 0.93 0.00 0.00 89 L 8.52 4.82 0.00 1.41 1.42 0.64 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *90 S 8.84 4.27 0.00 3.79 3.80 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 * Residues marked with a * may have inaccurate shift predictions.