NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4144 8.3301 117.0992 57.4624 63.1085 173.0774 4 A 4.2626 8.3502 128.8322 50.0427 19.2616 174.9620 5 K 4.1168 8.9757 123.8515 55.9622 33.9597 173.9692 6 L 4.8549 8.4951 130.4618 54.6640 42.6934 175.4752 7 I 4.4483 8.4728 118.9217 59.8538 41.2961 174.1955 8 F 5.0399 9.0973 121.0548 56.1570 40.4035 177.4467 9 I 3.3977 8.6937 123.7795 64.6081 36.9573 177.6534 10 N 4.6340 8.2904 114.2698 53.9417 37.4641 175.1465 11 Q 4.6780 8.3003 118.2907 56.1487 30.5154 177.5101 12 I 3.6517 7.6176 119.9037 64.5667 37.1486 177.9483 13 N 4.5001 8.0032 115.0479 55.4585 38.4927 175.6304 14 D 4.5210 7.8541 117.1928 55.8515 41.3439 176.6004 15 C 4.4480 7.7355 119.0802 59.1878 29.3693 173.9272 16 K 4.3432 8.2022 122.2744 53.6984 32.4951 176.8275 17 D 4.6742 8.4728 121.4556 55.9103 41.1963 178.1347 18 G 4.0179 9.2858 111.4846 45.2548 0.0000 173.6357 19 Q 4.1651 7.8714 122.2508 55.8235 30.5249 174.8282 20 K 4.7853 8.6284 127.3747 56.1451 33.6849 175.3717 21 L 5.4489 9.4984 126.2232 53.1147 46.8911 175.1930 22 R 5.0433 9.0306 121.1528 54.6513 33.2812 174.1657 23 F 5.4871 8.3911 119.8303 55.9062 41.9702 172.4470 24 L 5.2620 8.8920 121.2883 53.7488 44.0628 175.4329 25 G 4.4553 9.2608 110.8835 45.5189 0.0000 171.0851 26 C 4.1794 8.3043 122.3801 57.0266 33.5220 172.9402 27 V 3.9658 8.4016 126.8997 63.2770 31.2836 176.1123 28 Q 4.2272 9.0927 131.6203 58.7968 29.7286 175.9610 29 S 4.6467 7.6224 110.0786 57.8153 66.1298 174.4164 30 Y 5.3167 8.5368 122.4582 56.4118 40.6908 173.8404 31 K 4.2560 8.9607 127.3361 55.8291 35.7988 175.5997 32 N 4.1654 9.7261 123.2553 54.7012 37.5601 174.7183 33 G 4.0209 8.0675 103.5509 45.1700 0.0000 172.5544 34 I 5.0046 7.7891 120.8371 59.1593 40.5621 174.2247 35 L 5.2082 9.1824 129.1938 53.5201 44.4402 175.1596 36 R 4.8864 8.9496 126.8292 55.0128 31.6564 175.5426 37 L 5.2520 8.7591 124.3744 53.0096 44.8406 175.8197 38 I 5.0026 8.4440 122.2568 59.6745 41.8857 174.3263 39 D 4.9030 9.1086 125.1671 52.2957 43.5814 175.4612 40 G 3.8421 9.0392 118.6925 47.1664 0.0000 173.4185 41 S 4.5012 8.8211 119.6256 58.2909 63.4768 173.9019 42 S 4.8752 8.0247 118.0584 57.1066 65.1355 172.9439 43 S 5.2740 8.1654 116.4862 57.1430 66.4972 173.2788 44 V 4.5190 8.7835 119.1831 60.6477 35.1626 173.6505 45 T 4.7854 8.8459 120.3766 62.6368 70.3091 173.3452 46 C 5.3103 9.4424 124.6083 57.9882 31.3267 172.5636 47 D 4.8411 9.2883 124.7658 53.3098 41.4306 175.4315 48 V 4.6135 8.2888 128.8607 61.6117 29.7269 176.4401 49 T 4.1267 8.2611 121.2537 65.0885 69.0468 175.0116 50 V 4.3255 7.1081 120.3559 60.7007 34.2827 174.8740 51 V 3.9790 8.4538 126.7617 62.1633 31.2804 175.0246 52 L 4.7803 8.1019 127.0421 51.7031 44.1957 174.7153 53 P 4.2763 0.0000 0.0000 64.8691 31.5040 176.0238 54 D 4.4206 8.7679 116.0953 54.2584 36.9331 175.3192 55 V 4.2087 7.8003 119.7351 60.6929 32.1592 174.2833 56 S 4.6398 8.5159 120.4074 56.6821 63.1274 173.2287 57 I 4.7634 8.2349 128.2809 59.5332 39.6671 174.9013 58 Q 4.5289 9.0179 124.0770 53.5903 32.1798 174.3162 59 K 3.8029 8.5372 124.7618 58.5909 32.4505 176.4345 60 H 4.1061 9.1698 121.3513 55.9635 27.2587 174.6739 61 E 4.5476 7.5730 118.1036 55.0858 32.1046 175.1087 62 W 4.9890 8.6018 120.3382 55.8089 30.9703 175.4854 63 L 5.1590 9.2731 123.8772 53.0313 45.7746 175.0432 64 N 5.1415 9.1152 119.8794 51.9999 40.6118 174.0588 65 I 4.6793 8.5127 124.8718 59.2311 40.4364 174.6061 66 V 4.6118 8.4067 126.8808 61.2992 34.0560 174.8749 67 G 4.2116 8.7966 113.7585 46.0495 0.0000 171.3628 68 R 5.2672 8.8599 118.6798 53.8572 33.2455 175.9945 69 K 4.2742 9.0665 125.8052 56.8104 32.7632 177.4914 70 R 4.0241 9.2086 128.5709 58.1707 30.7886 175.5793 71 Q 5.2261 7.3645 112.3835 55.9734 30.6893 172.2831 72 D 4.6291 8.7212 117.9478 56.2371 41.1314 177.7512 73 G 3.9465 9.4465 110.5930 45.7214 0.0000 172.7997 74 I 5.0810 7.8521 120.6203 59.5058 41.5416 174.3151 75 V 4.8411 8.7460 126.5597 61.1128 34.8410 173.9356 76 D 4.9995 9.1168 128.5220 53.5401 41.8360 176.0907 77 V 3.9954 8.5430 124.8151 63.0811 31.7458 175.4252 78 L 4.6332 8.8236 126.8884 56.0239 43.8054 176.6530 79 L 4.5665 7.4238 117.8829 53.8862 45.6509 174.0695 80 I 4.9850 8.2484 124.5747 59.5786 40.4058 174.9511 81 R 4.7009 8.9229 125.4803 54.0135 33.7650 175.2472 82 S 4.5256 8.7678 116.9385 57.9260 63.6784 173.3272 83 A 4.7667 8.3774 126.9021 51.3551 19.5054 176.5116 84 V 3.8640 7.3341 118.8602 65.0313 31.5300 176.7460 85 G 3.8872 8.9280 110.5338 45.3326 0.0000 173.3764 86 I 3.4902 7.4004 119.9176 61.0698 38.4178 175.8935 87 N 4.5577 8.4860 125.3891 52.4039 38.8931 175.6340 88 L 3.8138 8.0525 128.8774 57.2632 41.8797 177.5757 89 P 4.2553 0.0000 0.0000 65.6178 31.2526 178.9023 90 R 4.2062 8.2674 118.3311 58.7607 29.8797 178.3504 91 Y 4.0516 8.3200 119.5921 60.9083 38.7927 178.5810 92 R 4.1999 8.2164 118.9003 59.4341 30.1187 179.1046 93 Q 4.0375 8.1448 117.9114 59.2108 28.8072 178.7535 94 M 4.1026 8.2081 119.8967 58.1978 31.9599 179.0179 95 V 3.2878 7.6346 118.4426 66.1365 31.6899 178.3634 96 S 4.1964 8.1987 114.8112 61.4454 62.3639 176.3798 97 E 3.9499 8.0899 121.5848 59.2704 29.6642 178.7813 98 R 4.0377 7.8147 117.7366 59.3074 29.9241 178.9638 99 Q 4.1003 7.7685 116.4834 58.2256 28.7659 178.3784 100 K 4.1449 7.8026 118.9069 59.1016 32.0471 178.6398 101 C 4.2034 7.8211 119.3979 63.0982 28.0780 173.9841 *102 D 4.4420 7.9497 122.5274 53.3546 40.1868 177.4380 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 3 S 8.33 4.41 0.00 3.65 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 4 A 8.35 4.26 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 5 K 8.98 4.12 0.00 1.88 1.71 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.36 7.81 6 L 8.50 4.85 0.00 1.64 1.48 1.03 0.89 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 7 I 8.47 4.45 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.93 0.00 0.00 8 F 9.10 5.04 0.00 3.34 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 9 I 8.69 3.40 1.93 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 1.07 1.11 0.83 0.00 0.00 10 N 8.29 4.63 0.00 2.83 2.95 0.00 0.00 5.91 7.39 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 11 Q 8.30 4.68 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 I 7.62 3.65 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.81 0.00 0.00 13 N 8.00 4.50 0.00 2.70 2.87 0.00 0.00 6.91 8.06 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 14 D 7.85 4.52 0.00 2.85 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 15 C 7.74 4.45 0.00 3.09 2.87 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 0.00 0.00 0.00 16 K 8.20 4.34 0.00 1.68 1.68 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.02 7.81 17 D 8.47 4.67 0.00 2.74 2.64 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 18 G 9.29 4.02 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 0.00 19 Q 7.87 4.17 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 20 K 8.63 4.79 0.00 1.90 1.67 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.48 7.81 21 L 9.50 5.45 0.00 1.81 1.71 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 R 9.03 5.04 0.00 1.82 1.74 0.00 3.09 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 23 F 8.39 5.49 0.00 3.23 3.27 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 24 L 8.89 5.26 0.00 1.42 1.61 0.90 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.26 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.30 4.18 0.00 1.23 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 27 V 8.40 3.97 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 0.87 0.00 0.00 0.87 0.00 0.00 28 Q 9.09 4.23 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 29 S 7.62 4.65 0.00 3.90 3.89 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 0.00 0.00 0.00 0.00 30 Y 8.54 5.32 0.00 2.82 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 31 K 8.96 4.26 0.00 1.73 1.52 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.28 7.81 32 N 9.73 4.17 0.00 2.74 2.75 0.00 0.00 7.21 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 33 G 8.07 4.02 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 0.00 34 I 7.79 5.00 2.03 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 1.14 1.34 0.96 0.00 0.00 35 L 9.18 5.21 0.00 1.65 1.68 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.95 4.89 0.00 1.82 1.85 0.00 3.15 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 37 L 8.76 5.25 0.00 1.70 1.61 0.85 0.57 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 38 I 8.44 5.00 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.91 0.00 0.00 39 D 9.11 4.90 0.00 2.96 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 40 G 9.04 3.84 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 0.00 0.00 0.00 41 S 8.82 4.50 0.00 3.99 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 42 S 8.02 4.88 0.00 3.91 3.77 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 43 S 8.17 5.27 0.00 3.86 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 44 V 8.78 4.52 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 0.66 0.00 0.00 0.88 0.00 0.00 45 T 8.85 4.79 4.39 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 1.24 0.00 0.00 46 C 9.44 5.31 0.00 2.95 2.87 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 0.00 0.00 0.00 47 D 9.29 4.84 0.00 2.72 2.73 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 48 V 8.29 4.61 2.28 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 1.02 0.00 0.00 0.91 0.00 0.00 49 T 8.26 4.13 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 50 V 7.11 4.33 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 0.77 0.00 0.00 0.94 0.00 0.00 51 V 8.45 3.98 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 0.90 0.00 0.00 0.98 0.00 0.00 52 L 8.10 4.78 0.00 1.66 1.56 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.28 0.00 2.18 2.07 0.00 3.90 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 1.99 1.97 0.00 54 D 8.77 4.42 0.00 2.88 2.67 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 55 V 7.80 4.21 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 0.97 0.00 0.00 0.88 0.00 0.00 56 S 8.52 4.64 0.00 3.85 3.81 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 57 I 8.23 4.76 1.88 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.75 0.00 0.00 58 Q 9.02 4.53 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.91 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 59 K 8.54 3.80 0.00 1.66 1.52 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.01 1.52 7.81 60 H 9.17 4.11 0.00 3.25 3.38 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.57 4.55 0.00 2.05 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 0.00 2.47 2.24 0.00 62 W 8.60 4.99 0.00 3.32 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 63 L 9.27 5.16 0.00 1.46 1.44 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.12 5.14 0.00 2.75 2.67 0.00 0.00 6.90 7.02 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 65 I 8.51 4.68 0.56 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 0.82 1.09 0.57 0.00 0.00 66 V 8.41 4.61 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 0.93 0.00 0.00 0.87 0.00 0.00 67 G 8.80 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 0.00 0.00 0.00 0.00 68 R 8.86 5.27 0.00 1.72 1.84 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 69 K 9.07 4.27 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.39 7.81 70 R 9.21 4.02 0.00 1.86 2.00 0.00 3.35 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 71 Q 7.36 5.23 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 72 D 8.72 4.63 0.00 2.66 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 73 G 9.45 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 74 I 7.85 5.08 1.88 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 1.13 0.76 0.94 0.00 0.00 75 V 8.75 4.84 2.29 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 1.22 0.00 0.00 1.02 0.00 0.00 76 D 9.12 5.00 0.00 2.66 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 77 V 8.54 4.00 2.17 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 0.68 0.00 0.00 0.98 0.00 0.00 78 L 8.82 4.63 0.00 1.61 1.66 0.92 0.82 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 79 L 7.42 4.57 0.00 1.69 1.39 0.89 0.93 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 80 I 8.25 4.98 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.80 0.00 0.00 81 R 8.92 4.70 0.00 1.61 1.74 0.00 3.27 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 82 S 8.77 4.53 0.00 3.87 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 83 A 8.38 4.77 1.32 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 0.00 0.00 84 V 7.33 3.86 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 0.71 0.00 0.00 0.96 0.00 0.00 85 G 8.93 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.40 3.49 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.75 0.59 0.00 0.00 87 N 8.49 4.56 0.00 2.77 2.72 0.00 0.00 7.20 6.66 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 88 L 8.05 3.81 0.00 1.50 1.42 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.26 0.00 2.14 2.08 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 90 R 8.27 4.21 0.00 1.91 1.99 0.00 3.31 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 91 Y 8.32 4.05 0.00 3.10 3.19 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 92 R 8.22 4.20 0.00 2.10 1.96 0.00 3.13 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 1.79 2.06 0.00 93 Q 8.14 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 94 M 8.21 4.10 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 95 V 7.63 3.29 1.63 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 0.09 0.00 0.00 -0.00 0.00 0.00 96 S 8.20 4.20 0.00 4.17 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 97 E 8.09 3.95 0.00 2.11 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 2.30 2.37 0.00 98 R 7.81 4.04 0.00 1.99 1.90 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 99 Q 7.77 4.10 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 100 K 7.80 4.14 0.00 1.91 1.87 0.00 2.04 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 101 C 7.82 4.20 0.00 3.14 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 *102 D 7.95 4.44 0.00 2.44 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 * Residues marked with a * may have inaccurate shift predictions.