NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1145 8.2229 123.5846 54.1940 20.6481 181.8325 *4 T 2.9807 7.9693 108.2772 64.1783 69.2393 176.0836 5 A 4.1753 7.8251 124.0295 54.4448 18.7758 178.9391 6 S 4.0567 10.3144 112.1011 61.4656 62.2078 175.8475 7 D 4.3526 7.9701 120.0269 57.6903 41.1090 177.7414 8 D 4.4387 8.0513 119.0855 57.6194 40.7491 178.8703 9 E 3.8805 8.1038 118.4395 59.0177 29.2422 177.0179 *10 A 4.3353 7.3947 121.8617 51.8264 20.4573 176.4916 11 V 3.9137 7.8329 118.6420 66.8548 31.6432 178.7378 12 T 3.9907 8.1911 114.9075 66.5175 68.3003 176.4762 13 A 4.0111 8.0413 122.6901 55.2126 18.3745 179.4476 14 L 3.9529 8.0171 116.7745 58.1773 41.6416 179.5793 15 A 3.3158 8.0200 120.4076 54.8541 17.9906 179.7207 16 L 3.9918 7.8027 117.3974 57.7148 41.8655 179.6105 17 S 4.0470 8.1860 112.9284 61.2239 62.2991 175.7990 18 A 4.1383 8.2112 123.6696 55.4315 17.8607 179.3621 19 A 3.9272 7.9406 117.9842 55.0828 18.3525 178.9759 20 K 4.3703 7.3398 114.8273 56.4991 32.1616 177.8481 21 G 3.8138 8.1995 107.6018 45.2061 0.0000 173.4615 22 N 4.5654 8.0821 119.3611 52.2630 38.8223 175.9590 23 G 3.6312 8.7371 113.9223 48.0339 0.0000 174.6272 24 R 4.0119 7.9802 119.2667 58.1575 30.0953 178.6734 25 A 4.0827 7.8901 120.7357 54.6290 18.7067 179.0328 26 L 3.9112 7.8518 118.9461 58.2986 42.1446 178.8020 27 E 3.9010 8.5628 119.2942 59.3289 29.6043 178.7349 28 A 3.9685 7.8292 120.9092 54.9482 18.3207 179.0459 29 F 4.1083 8.5588 119.6099 61.8243 39.3859 177.5891 30 I 3.3203 8.0222 119.0246 64.0682 36.6171 178.3167 31 K 3.7298 7.7773 117.9350 59.7081 32.0428 179.0206 32 A 4.1270 8.3563 119.5759 54.1534 18.5676 178.0091 33 T 4.4046 7.2912 105.5825 61.0672 70.8514 175.7912 34 Q 4.3582 8.3537 124.1911 59.7470 28.8354 178.5827 35 Q 3.9871 8.0478 119.4752 59.3800 29.2361 177.4134 36 D 4.4748 8.2476 119.4393 57.5883 40.7773 179.1094 37 V 3.5284 7.9950 118.3179 65.6698 31.5827 177.5642 38 W 4.3011 8.5584 129.8338 59.9516 30.4541 177.8244 39 R 3.8375 8.6906 118.1209 59.3508 29.2307 178.4667 40 F 4.1877 8.2167 120.2173 61.7584 39.3462 177.4875 41 V 3.3734 8.1763 117.5066 65.7804 31.0820 177.6524 42 A 4.1481 7.1806 120.4470 53.8792 18.1793 178.8235 43 Y 4.2604 7.1934 114.5766 60.2092 38.0021 177.1792 44 L 4.4882 6.9785 117.4484 53.4852 43.0579 176.4537 45 S 4.6322 8.2385 112.7698 58.1394 62.4132 176.4816 46 D 4.8149 8.4206 122.8918 51.4921 41.2341 176.2737 47 V 3.5134 8.0717 116.6760 65.5670 31.2501 178.3169 48 G 3.7098 8.0533 104.5684 47.6699 0.0000 175.5615 49 S 4.2024 8.0931 117.0942 61.0484 62.6626 176.5749 50 A 3.6784 7.4116 122.6381 54.8661 17.7773 179.2236 51 D 4.6101 8.2466 116.9627 57.8879 40.9484 178.7641 52 D 4.3818 8.0508 118.6417 57.4319 40.9264 178.6730 53 L 3.9668 7.9505 119.4507 57.9486 41.4006 179.6232 54 T 3.8764 8.5480 116.4308 66.7781 68.4509 176.5850 55 Q 4.2448 8.0640 119.4695 59.0573 28.8186 177.7601 56 E 3.9247 8.0576 120.9521 59.5051 29.5343 178.8553 57 T 3.7175 7.8013 115.5702 66.8485 68.4075 176.5854 58 F 4.3587 7.9030 119.3117 60.3520 38.9331 177.7978 59 L 4.0800 8.2563 118.8083 57.9914 41.4572 179.8168 60 R 3.9260 8.0987 117.7264 58.9830 29.9607 178.8079 61 A 3.8868 8.1203 120.7918 55.4539 18.2119 179.5827 62 I 3.8966 8.5544 117.8419 64.7256 37.2541 178.6104 63 G 3.7505 8.1063 105.2357 47.4692 0.0000 175.0204 64 A 4.5253 8.2801 122.1736 53.3404 19.1243 179.0749 65 I 3.5795 8.1962 117.8938 63.8387 37.8074 175.8329 66 P 4.4960 0.0000 0.0000 64.4761 31.2973 176.7348 67 R 4.5039 8.0199 115.2602 55.4609 31.0000 175.6381 68 F 4.0369 8.2810 122.6899 58.0340 39.4943 174.8886 69 S 4.1037 7.1909 119.5439 57.1221 63.7359 173.4534 70 A 3.5005 5.8000 121.3856 53.6712 15.1733 180.5597 71 R 3.9240 7.6976 120.2715 60.1911 30.3653 176.4066 72 S 4.7077 7.4945 111.8652 55.5032 66.5541 173.2849 73 S 4.5635 8.5619 114.6951 58.2084 64.7164 174.7938 74 A 3.6730 8.6481 125.4436 55.3405 18.0043 180.2058 75 R 3.9193 8.1777 116.7148 59.9560 30.1120 178.7985 76 T 3.8471 7.8246 115.4010 66.3374 68.5281 176.2386 77 W 4.3156 8.3859 130.3360 60.6723 30.6607 177.7181 78 L 3.5104 8.6446 120.2999 58.1456 41.5352 178.9529 79 L 3.4743 8.0787 118.9803 57.2716 41.4020 179.2070 80 A 3.9568 8.3050 121.2881 55.3167 18.2390 179.7249 81 I 3.4431 7.3617 117.8922 64.4166 37.1313 178.3626 82 A 3.8944 7.8425 121.6340 55.2336 18.0281 179.7594 83 R 3.9428 8.2260 117.2593 59.9001 30.2017 178.4228 84 H 4.0860 8.1680 115.9969 58.8902 28.4775 177.8691 85 V 3.5954 7.7494 118.9843 65.9871 31.6205 177.9946 86 V 3.6795 7.9616 117.6840 65.7598 31.5210 177.5589 87 A 3.9553 8.2663 120.9616 55.6830 18.0160 179.1483 88 D 4.3610 8.2562 116.0083 57.8533 41.2763 178.2431 89 H 4.7586 8.3605 117.2898 55.9891 29.8988 174.2193 90 I 4.0160 7.1815 113.6504 59.5475 37.4250 175.9034 91 R 4.8046 8.2460 123.1429 55.7978 30.0154 176.8372 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 A 8.22 4.11 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 *4 T 7.97 2.98 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 1.21 0.00 0.00 5 A 7.83 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 10.31 4.06 0.00 3.91 3.87 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 7 D 7.97 4.35 0.00 2.79 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 8 D 8.05 4.44 0.00 2.99 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 9 E 8.10 3.88 0.00 2.21 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 0.00 2.50 2.49 0.00 *10 A 7.39 4.34 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 11 V 7.83 3.91 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 1.15 0.00 0.00 1.01 0.00 0.00 12 T 8.19 3.99 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 1.39 0.00 0.00 13 A 8.04 4.01 1.41 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 0.00 0.00 14 L 8.02 3.95 0.00 2.08 1.91 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.02 3.32 0.67 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 0.00 0.00 16 L 7.80 3.99 0.00 1.91 1.70 0.88 0.65 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 17 S 8.19 4.05 0.00 3.89 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 18 A 8.21 4.14 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 19 A 7.94 3.93 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 20 K 7.34 4.37 0.00 1.84 1.82 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 21 G 8.20 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 0.00 0.00 0.00 22 N 8.08 4.57 0.00 2.80 2.82 0.00 0.00 7.08 7.45 0.00 0.00 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 G 8.74 3.63 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 0.00 24 R 7.98 4.01 0.00 1.87 1.99 0.00 3.12 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 25 A 7.89 4.08 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 26 L 7.85 3.91 0.00 1.79 1.92 1.02 0.94 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 27 E 8.56 3.90 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 2.29 2.31 0.00 28 A 7.83 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.56 4.11 0.00 3.19 3.37 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 30 I 8.02 3.32 1.80 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 1.28 0.75 0.04 0.00 0.00 31 K 7.78 3.73 0.00 1.83 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.51 7.81 32 A 8.36 4.13 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 33 T 7.29 4.40 4.13 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 0.85 0.00 0.00 34 Q 8.35 4.36 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 35 Q 8.05 3.99 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 36 D 8.25 4.47 0.00 2.93 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 37 V 8.00 3.53 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 0.88 0.00 0.00 0.67 0.00 0.00 38 W 8.56 4.30 0.00 3.56 3.36 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 39 R 8.69 3.84 0.00 1.98 1.98 0.00 3.31 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 40 F 8.22 4.19 0.00 3.23 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 41 V 8.18 3.37 2.26 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 0.72 0.00 0.00 0.92 0.00 0.00 42 A 7.18 4.15 0.50 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 0.00 0.00 43 Y 7.19 4.26 0.00 2.92 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 44 L 6.98 4.49 0.00 1.27 1.52 0.75 0.21 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 45 S 8.24 4.63 0.00 3.90 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 46 D 8.42 4.81 0.00 2.85 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 47 V 8.07 3.51 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 1.23 0.00 0.00 0.87 0.00 0.00 48 G 8.05 3.71 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 0.00 0.00 0.00 49 S 8.09 4.20 0.00 3.69 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 50 A 7.41 3.68 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.61 0.00 2.83 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 52 D 8.05 4.38 0.00 2.84 2.70 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 0.00 0.00 0.00 53 L 7.95 3.97 0.00 1.74 1.61 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.55 3.88 4.62 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 1.52 0.00 0.00 55 Q 8.06 4.24 0.00 2.34 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 56 E 8.06 3.92 0.00 2.09 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 2.30 2.39 0.00 57 T 7.80 3.72 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 0.82 0.00 0.00 58 F 7.90 4.36 0.00 3.20 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 59 L 8.26 4.08 0.00 1.88 1.76 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.10 3.93 0.00 1.76 1.90 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 61 A 8.12 3.89 1.58 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 0.00 0.00 62 I 8.55 3.90 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.98 0.00 0.00 63 G 8.11 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 0.00 0.00 0.00 64 A 8.28 4.53 1.62 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 0.00 0.00 65 I 8.20 3.58 2.18 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.06 0.97 0.00 0.00 66 P 0.00 4.50 0.00 2.09 2.13 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 67 R 8.02 4.50 0.00 2.05 1.99 0.00 3.25 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 68 F 8.28 4.04 0.00 1.77 2.57 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 69 S 7.19 4.10 0.00 3.74 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 70 A 5.80 3.50 1.18 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 0.00 0.00 71 R 7.70 3.92 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 72 S 7.49 4.71 0.00 4.12 4.04 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 0.00 0.00 0.00 0.00 73 S 8.56 4.56 0.00 4.18 4.12 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 74 A 8.65 3.67 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 75 R 8.18 3.92 0.00 1.94 1.99 0.00 3.43 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 76 T 7.82 3.85 4.56 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 1.29 0.00 0.00 77 W 8.39 4.32 0.00 3.63 3.52 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 78 L 8.64 3.51 0.00 2.16 1.89 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.08 3.47 0.00 1.39 0.77 0.63 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.31 3.96 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 81 I 7.36 3.44 1.63 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.03 0.71 0.00 0.00 82 A 7.84 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 3.94 0.00 2.20 1.92 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 84 H 8.17 4.09 0.00 3.29 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.75 3.60 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 0.75 0.00 0.00 0.92 0.00 0.00 86 V 7.96 3.68 2.15 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 0.89 0.00 0.00 0.93 0.00 0.00 87 A 8.27 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.36 0.00 2.77 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 89 H 8.36 4.76 0.00 3.22 3.50 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.18 4.02 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.75 0.85 0.00 0.00 91 R 8.25 4.80 0.00 1.78 1.82 0.00 3.25 0.00 0.00 3.88 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.