NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.0808 8.2431 120.8611 54.4955 31.9529 176.4636 4 G 3.7736 8.0895 106.4539 43.9731 0.0000 166.7809 5 V 4.3593 8.1856 117.6043 60.8485 35.2181 172.9656 6 N 4.8273 8.6201 123.4501 51.6968 40.4284 173.0613 7 K 4.8798 8.3753 125.9062 54.6954 35.8470 175.3625 8 V 4.5010 8.6023 125.5843 61.1727 34.9630 174.0256 9 I 4.9287 8.3220 127.2185 59.5187 40.3545 174.7975 10 L 4.6723 8.2788 125.1607 53.1009 46.5171 175.5885 11 V 4.6038 8.0592 121.5070 61.8581 34.2785 174.3215 12 G 4.0641 8.3274 114.5591 46.1763 0.0000 170.8812 13 N 5.5996 7.9030 115.2899 51.0413 41.2636 175.2803 14 L 4.4109 8.4548 121.3320 55.3391 42.5021 177.9949 15 G 4.2503 8.6928 107.8718 47.7375 0.0000 174.2248 16 Q 4.7496 8.1497 115.2951 54.5814 31.0615 173.5097 17 D 4.5985 8.7500 120.4230 53.5344 41.6877 175.1081 18 P 4.4614 0.0000 0.0000 63.2295 32.1580 176.7030 19 E 4.6052 8.9453 123.2022 55.2584 27.9792 175.5112 20 V 4.3445 7.5969 114.0716 61.4162 33.1523 177.2792 21 R 4.5790 9.3522 123.6643 55.1243 34.0863 174.2855 22 Y 4.4872 8.9372 123.2605 57.8909 38.4628 175.7892 23 M 3.9129 8.8378 125.1626 58.4470 32.6189 175.3399 *28 A 4.2308 7.4788 116.7166 52.4748 20.4296 175.3191 29 V 4.4527 7.7676 112.7903 62.4811 35.6333 172.2071 30 A 5.2183 8.7839 129.6872 50.2700 22.3903 174.7469 31 N 5.4939 8.5751 116.8306 51.3731 42.0777 173.8449 32 I 4.8238 8.8646 116.5032 59.5206 41.9660 174.2890 33 T 5.7013 8.3512 119.0566 59.5216 68.0838 172.6891 34 L 4.6753 8.4064 127.1542 54.2898 43.1701 175.5000 35 A 4.8647 8.8938 124.0484 50.1094 22.0369 175.1910 36 T 4.2226 8.2567 112.9215 59.9413 71.0359 174.4836 37 S 4.4155 8.2706 123.6183 58.2376 64.0471 172.4254 38 E 4.6026 7.7080 118.6329 55.5760 33.4750 174.4117 39 S 5.2556 8.2531 116.9555 58.6301 63.9507 177.1460 *50 E 4.2623 8.0146 121.9678 56.8519 31.2594 176.7913 51 Q 2.9044 7.6829 117.9735 56.8764 25.8933 175.8693 52 T 3.6588 7.8429 117.6756 64.5512 69.3119 173.7451 53 E 4.7602 8.0640 125.9593 54.3654 32.6650 174.2641 54 W 5.3103 8.6083 121.0917 55.1597 33.1016 174.7309 55 H 4.8903 10.1552 119.8844 54.2348 32.6748 173.0150 56 R 4.6994 8.6773 122.9162 55.0911 30.3086 173.8778 57 V 4.5720 9.0692 126.0611 61.1201 33.8065 174.4226 58 V 4.4114 8.8633 127.9310 61.2920 33.7462 174.5509 59 L 4.5403 8.3405 130.0296 52.7513 41.8114 177.7243 60 F 4.9381 8.6077 129.3811 58.7793 39.2782 174.8380 61 G 3.9005 8.1330 109.9582 44.4162 0.0000 175.9941 62 K 3.8453 8.5987 119.6126 60.1592 32.0947 178.8449 63 L 3.8679 8.1525 119.2167 57.2159 41.4561 179.3237 64 A 4.0268 7.9244 120.9509 54.8792 18.6045 179.0021 65 E 3.7704 8.0531 117.5597 59.8278 29.5996 179.9164 66 V 3.2037 7.7396 116.9823 65.7861 31.5789 177.3954 67 A 3.9739 7.4741 119.4083 55.2745 17.9898 179.6170 68 S 4.0007 7.7246 110.8731 61.7500 63.1178 175.8370 69 E 3.9763 8.0689 122.2031 58.1656 29.2138 178.1912 70 Y 4.9227 7.6098 111.0706 56.4190 40.2848 175.4055 71 L 3.7513 8.5512 124.0046 53.9495 41.3748 173.3776 72 R 3.8493 7.9267 128.9198 56.8757 30.6129 175.5816 73 K 4.4457 9.0672 124.5237 56.1733 32.3771 173.4644 74 G 4.2485 8.3806 114.5554 45.3219 0.0000 174.2916 75 S 4.1754 7.5483 114.6057 58.9696 64.0166 174.1004 76 Q 4.6381 8.7543 125.3208 56.0821 30.3507 174.7299 77 V 4.9456 8.9126 117.7375 60.3542 37.0363 172.6990 78 Y 4.9116 8.6907 122.9013 56.0589 41.6767 174.5251 79 I 4.9383 7.7744 125.5655 59.5631 42.1090 173.6423 80 E 4.8472 8.7777 126.6567 54.7711 32.8361 174.9169 81 G 4.4315 8.4538 112.5377 46.1153 0.0000 171.7053 82 Q 5.0323 8.3295 118.0128 53.8398 33.4380 174.8160 83 L 4.7194 9.0062 122.2242 54.4737 42.4127 176.5999 84 R 4.5730 9.5269 124.4561 54.8018 32.9926 173.8593 85 T 5.3588 8.7256 123.0993 61.9392 71.3964 172.9282 86 R 4.9299 8.9849 124.2669 54.1117 32.1687 175.1292 87 K 4.8570 8.6370 121.8765 55.2656 34.3307 176.0149 88 W 5.0935 9.9266 122.4419 54.6241 30.8653 174.4304 89 T 3.8799 8.4953 116.0786 61.8654 68.6002 173.4788 90 D 4.6569 8.9374 125.6721 51.4252 42.2419 177.1695 91 Q 4.0231 8.8920 117.2168 59.6535 28.4910 179.6003 92 S 4.1601 8.0063 108.0144 59.0554 62.3945 174.7331 93 G 3.8604 9.0584 108.9783 45.9214 0.0000 173.4882 94 Q 4.5814 7.4335 117.7175 54.0199 31.2880 174.5845 95 D 4.6367 8.4963 121.7070 54.3315 41.3565 175.8622 96 R 4.8721 7.7591 120.9685 54.4387 34.0709 174.3590 97 Y 5.5116 9.0179 117.9983 56.6474 41.7873 174.7116 98 T 4.6729 9.4487 117.7815 60.5583 70.3057 172.3069 99 T 5.0959 8.9031 123.5609 59.7868 68.8395 173.0558 100 E 4.8998 10.0319 126.9041 54.8406 34.3524 174.6805 101 V 4.6657 8.3235 113.3610 59.9385 33.6020 175.7074 102 V 4.2263 8.4293 119.8566 59.9591 33.0843 176.0534 103 V 4.3538 8.0888 124.1192 62.8020 30.6683 174.9704 104 N 4.5867 8.6420 124.9900 54.5370 37.4695 176.9208 105 V 4.3205 9.0568 104.1421 60.3536 34.4815 173.9209 106 G 3.8166 8.3375 114.1707 44.3970 0.0000 175.3430 107 G 4.0621 7.6026 107.6300 46.0808 0.0000 171.1235 108 T 4.7686 8.6825 112.9785 61.4297 71.4598 171.5794 109 M 5.3474 8.5617 123.0249 53.9887 35.8571 174.5368 110 Q 4.5174 8.7118 125.9749 55.0881 32.5857 173.6443 111 M 4.5246 8.8960 126.7008 55.5856 33.0341 176.5249 112 L 4.4430 7.9668 120.0220 54.9926 42.3394 176.4621 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 R 8.24 4.08 0.00 1.79 2.03 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 4 G 8.09 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 0.00 0.00 0.00 5 V 8.19 4.36 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 0.94 0.00 0.00 6 N 8.62 4.83 0.00 2.66 2.67 0.00 0.00 6.73 6.68 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 7 K 8.38 4.88 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 8 V 8.60 4.50 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 0.83 0.00 0.00 0.90 0.00 0.00 9 I 8.32 4.93 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.77 0.00 0.00 10 L 8.28 4.67 0.00 1.38 1.28 0.61 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.06 4.60 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 0.91 0.00 0.00 1.05 0.00 0.00 12 G 8.33 4.06 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 0.00 0.00 0.00 13 N 7.90 5.60 0.00 2.66 2.82 0.00 0.00 7.47 6.62 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 14 L 8.45 4.41 0.00 1.75 1.66 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.69 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 0.00 0.00 0.00 16 Q 8.15 4.75 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 17 D 8.75 4.60 0.00 2.70 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 18 P 0.00 4.46 0.00 2.08 2.07 0.00 3.76 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 2.00 2.16 0.00 19 E 8.95 4.61 0.00 2.02 1.92 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 2.24 2.26 0.00 20 V 7.60 4.34 2.27 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 0.72 0.00 0.00 1.03 0.00 0.00 21 R 9.35 4.58 0.00 1.71 1.86 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 22 Y 8.94 4.49 0.00 2.77 2.93 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 0.00 0.00 0.00 23 M 8.84 3.91 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 *28 A 7.48 4.23 0.63 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 0.00 0.00 29 V 7.77 4.45 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 1.15 0.00 0.00 30 A 8.78 5.22 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 31 N 8.58 5.49 0.00 2.74 2.66 0.00 0.00 6.63 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 32 I 8.86 4.82 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.91 0.00 0.00 33 T 8.35 5.70 4.30 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 1.26 0.00 0.00 34 L 8.41 4.68 0.00 1.68 1.58 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 4.86 -0.10 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 36 T 8.26 4.22 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 1.17 0.00 0.00 37 S 8.27 4.42 0.00 3.81 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 38 E 7.71 4.60 0.00 1.99 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 2.20 2.22 0.00 39 S 8.25 5.26 0.00 4.12 3.85 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 *50 E 8.01 4.26 0.00 2.14 2.39 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 2.26 2.24 0.00 51 Q 7.68 2.90 0.00 2.14 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 52 T 7.84 3.66 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 0.87 0.00 0.00 53 E 8.06 4.76 0.00 2.15 1.70 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 2.11 2.32 0.00 54 W 8.61 5.31 0.00 3.17 3.18 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 0.00 55 H 10.16 4.89 0.00 3.15 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.68 4.70 0.00 1.90 1.81 0.00 3.14 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 57 V 9.07 4.57 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 0.92 0.00 0.00 0.91 0.00 0.00 58 V 8.86 4.41 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 0.62 0.00 0.00 0.83 0.00 0.00 59 L 8.34 4.54 0.00 1.62 1.59 0.91 0.99 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 60 F 8.61 4.94 0.00 3.26 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 61 G 8.13 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 62 K 8.60 3.85 0.00 1.93 2.06 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.48 7.81 63 L 8.15 3.87 0.00 1.69 1.81 0.95 0.92 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 64 A 7.92 4.03 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 65 E 8.05 3.77 0.00 1.95 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 2.09 2.40 0.00 66 V 7.74 3.20 2.24 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 1.18 0.00 0.00 0.97 0.00 0.00 67 A 7.47 3.97 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 68 S 7.72 4.00 0.00 4.08 4.07 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 69 E 8.07 3.98 0.00 1.52 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 2.00 2.12 0.00 70 Y 7.61 4.92 0.00 2.92 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 71 L 8.55 3.75 0.00 1.64 1.51 0.99 0.93 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 72 R 7.93 3.85 0.00 2.10 2.00 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 73 K 9.07 4.45 0.00 2.03 1.92 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.58 7.81 74 G 8.38 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 0.00 0.00 0.00 75 S 7.55 4.18 0.00 3.93 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 76 Q 8.75 4.64 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 77 V 8.91 4.95 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 0.75 0.00 0.00 0.99 0.00 0.00 78 Y 8.69 4.91 0.00 3.00 2.74 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 79 I 7.77 4.94 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.48 0.79 0.00 0.00 80 E 8.78 4.85 0.00 2.08 1.76 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 2.20 2.25 0.00 81 G 8.45 4.43 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 0.00 0.00 0.00 82 Q 8.33 5.03 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 83 L 9.01 4.72 0.00 1.70 1.62 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.53 4.57 0.00 1.80 1.71 0.00 3.09 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 85 T 8.73 5.36 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 86 R 8.98 4.93 0.00 1.91 2.06 0.00 2.77 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 87 K 8.64 4.86 0.00 0.79 1.44 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.16 1.15 7.81 88 W 9.93 5.09 0.00 3.29 3.25 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 89 T 8.50 3.88 4.08 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 0.00 0.00 1.20 0.00 0.00 90 D 8.94 4.66 0.00 2.53 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.89 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.34 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 92 S 8.01 4.16 0.00 4.24 3.86 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 93 G 9.06 3.86 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 0.00 0.00 0.00 94 Q 7.43 4.58 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.19 0.00 95 D 8.50 4.64 0.00 2.54 2.53 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 96 R 7.76 4.87 0.00 0.67 1.59 0.00 3.16 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.30 0.00 97 Y 9.02 5.51 0.00 2.70 2.93 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 0.00 0.00 0.00 98 T 9.45 4.67 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 1.18 0.00 0.00 99 T 8.90 5.10 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 100 E 10.03 4.90 0.00 1.80 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 0.00 2.14 2.40 0.00 101 V 8.32 4.67 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 0.69 0.00 0.00 0.87 0.00 0.00 102 V 8.43 4.23 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 0.68 0.00 0.00 0.99 0.00 0.00 103 V 8.09 4.35 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 0.93 0.00 0.00 0.90 0.00 0.00 104 N 8.64 4.59 0.00 3.02 2.57 0.00 0.00 7.18 7.71 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 0.00 105 V 9.06 4.32 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 0.80 0.00 0.00 0.96 0.00 0.00 106 G 8.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.60 4.06 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 0.00 0.00 0.00 108 T 8.68 4.77 4.30 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 1.31 0.00 0.00 109 M 8.56 5.35 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 110 Q 8.71 4.52 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 111 M 8.90 4.52 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 112 L 7.97 4.44 0.00 1.73 1.52 1.01 0.88 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 * Residues marked with a * may have inaccurate shift predictions.