NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.9478 8.0033 118.3715 57.9421 40.3737 173.4281 3 Q 4.3553 8.7378 120.4920 54.4806 30.3099 173.3555 4 L 5.0101 8.7069 125.4045 53.3455 44.7450 174.5793 5 Q 4.6094 8.8947 128.2199 54.4926 31.2296 173.9622 6 F 5.1425 8.8009 124.6705 56.2221 41.0354 175.3251 7 I 4.3400 9.0040 124.2895 59.8186 39.8742 174.6666 8 N 5.2597 9.1699 126.7942 51.3837 39.7799 174.4398 9 L 4.4974 8.7894 125.5580 54.5407 43.0003 176.4434 10 V 4.7323 8.5387 125.0125 61.5732 32.6082 174.4667 11 Y 4.7332 7.9746 124.1462 55.9854 40.5774 173.9886 12 D 4.5749 8.6273 121.9363 53.3848 40.9852 176.8907 13 T 4.2690 8.4028 122.7179 64.5440 67.7301 176.2089 14 T 4.0485 8.0947 110.7287 63.7867 68.7991 175.0434 15 K 4.3977 7.8507 119.8409 56.1949 32.6305 176.1377 16 L 4.7732 7.3929 119.4508 53.2687 43.6055 177.0635 17 T 4.2517 8.5955 111.9795 61.4614 70.9362 175.2131 18 H 4.4148 8.7376 122.6315 58.8358 29.7700 177.1527 19 L 3.8772 7.8599 121.3951 58.1137 42.0173 178.5426 20 E 3.8398 8.0971 118.4613 59.5851 29.2969 179.4151 21 Q 3.9457 8.1293 117.9276 59.2825 28.5488 178.9166 22 T 3.7842 7.7356 115.7499 66.7785 68.4900 176.1028 23 N 4.4024 8.0388 118.1977 56.3167 38.6036 177.5844 24 I 3.8739 7.8157 121.2261 64.5584 36.9595 178.2586 25 N 4.4747 8.2266 116.2214 55.9014 38.3638 177.0589 26 L 4.1183 7.3783 119.9087 56.0672 42.5845 177.6665 27 F 4.5799 7.7765 118.6410 55.6184 37.9428 175.5730 *29 G 3.6560 7.6429 112.6818 45.0967 0.0000 167.6279 30 N 5.3461 7.8625 115.8133 51.2928 41.0794 174.2020 31 W 5.6802 9.2348 122.8021 55.2472 33.8816 174.2488 32 S 5.4802 9.7351 116.1884 57.0634 66.4971 172.1782 33 N 4.9945 9.3199 123.2316 52.0122 41.1130 174.5364 34 H 4.5122 9.0308 125.8723 58.9832 30.4263 177.2640 35 Q 3.9754 8.0816 116.8193 58.7768 28.6233 177.3481 36 L 4.0328 8.3657 116.0792 54.8681 42.5261 176.4651 37 Q 2.0000 7.1897 117.2609 56.2666 26.7572 173.0718 38 K 5.1124 7.5373 116.8112 54.7216 36.1236 175.2231 39 S 5.6632 9.8236 121.5749 56.4792 66.0616 172.4364 40 I 4.9325 8.9691 118.3008 59.1745 40.7911 173.7371 41 C 5.0861 8.9720 126.1634 58.0016 33.3944 172.3110 42 I 4.9211 8.8445 128.6622 59.9985 38.0892 175.6987 43 R 4.7748 8.9242 125.2453 54.5570 35.1842 174.2553 44 H 4.8758 8.9809 121.2166 55.9421 29.8295 174.3549 45 G 4.2453 8.3621 118.2486 46.2532 0.0000 169.5872 46 D 4.6104 8.1658 118.6416 53.1503 41.7942 175.3444 47 D 4.3971 8.6726 117.9795 57.3773 40.8672 177.3417 48 T 4.1524 8.0661 108.1632 62.6037 69.4309 175.4874 49 S 4.2600 7.6657 118.8814 58.6320 63.3954 173.7137 50 H 4.5066 8.4573 120.6176 55.2800 30.3231 174.3710 51 N 4.2217 8.4986 114.2448 54.7003 35.9090 174.4527 52 Q 4.9477 7.5900 116.0552 55.8429 30.8736 176.0872 53 Y 4.9991 9.0741 119.9790 56.4754 42.6151 173.6520 54 H 5.2190 9.2768 122.8319 54.4745 32.1793 173.8929 55 I 4.5220 8.2934 126.8603 61.3601 37.7486 175.6166 56 L 4.5131 8.9568 125.6521 56.7628 42.9111 177.0840 57 F 4.9747 7.8916 118.6504 57.0612 43.0205 173.1773 58 I 4.3336 7.5173 125.8275 59.5615 39.5425 175.0505 59 D 4.3223 8.8353 129.8753 52.9118 40.8984 176.9634 60 T 4.2669 8.2768 115.8066 62.9567 69.6656 176.1891 61 A 4.0532 8.0580 125.0022 54.6248 18.5681 177.6253 62 H 4.7940 8.3354 109.3247 54.7902 30.6963 173.6825 63 Q 3.8159 7.9930 117.2260 56.2502 25.8522 173.0210 64 R 5.3028 8.1899 116.0520 54.3811 35.1179 176.3686 65 I 5.0196 8.1749 115.4158 59.0134 41.2319 174.3297 66 K 5.1466 8.8589 123.2750 54.8885 35.5159 175.1210 67 F 5.5120 8.5016 117.7333 56.2871 41.7903 172.8430 68 S 5.4590 9.4135 113.4457 56.6123 66.6831 173.8931 69 S 3.9551 8.9364 115.4161 57.9718 63.5485 174.2159 70 I 3.7909 7.6566 123.7587 64.6662 36.8268 177.0345 71 D 4.8019 7.9208 115.1455 54.1016 41.8243 176.4299 72 N 4.9348 7.8126 118.5150 51.8757 38.4722 174.0141 73 E 4.4999 8.1759 116.8625 56.2410 30.3193 177.5020 74 E 3.9800 7.8622 121.8794 58.0751 29.9249 175.6836 75 I 4.7147 7.2508 118.3292 59.7070 38.5695 175.3425 76 I 4.5348 8.4546 129.1910 60.0220 39.1259 174.6380 77 Y 4.6754 8.8130 125.3871 56.7363 39.5973 174.6518 78 I 4.8023 8.3459 124.4936 59.4167 40.2552 174.8258 79 L 4.8755 8.6132 127.1111 52.9886 44.2390 175.3015 80 D 5.5387 8.9358 122.2705 52.6337 44.8530 174.3266 81 Y 4.4942 8.7652 123.4346 57.6135 39.1692 173.4675 82 D 4.5190 8.2361 124.8561 54.7561 43.3932 175.7674 83 D 4.0908 7.3995 115.6452 52.5398 42.1771 175.7462 84 T 4.1073 8.6624 114.8459 66.4588 68.5162 175.1356 85 Q 4.6310 8.6375 118.4115 55.8764 29.8422 174.4674 86 H 5.7488 8.4317 116.1714 54.2882 33.4510 172.5481 87 I 4.9139 8.6291 115.3995 59.3494 41.6107 174.3362 88 L 5.3435 8.5466 122.8910 52.2208 45.2973 174.8604 *90 Q 4.1959 8.3615 118.9313 56.7632 30.4863 174.2676 91 T 4.5913 8.3747 120.3809 60.1276 69.2927 173.1158 92 S 4.7788 8.9530 123.3599 56.4334 67.1023 172.7673 93 S 5.0286 8.2123 115.3534 55.2079 64.5120 174.4814 94 K 3.8695 9.0519 128.3728 59.7277 32.0229 177.5528 95 Q 4.0927 8.0044 115.6969 57.3627 29.0092 176.2188 96 G 3.9414 7.5811 106.7303 44.5449 0.0000 172.7647 97 I 4.2352 8.0700 119.9182 60.7408 38.8453 176.4742 98 G 3.8098 8.8710 110.0490 44.5536 0.0000 171.7916 99 T 4.4812 7.9334 114.3577 61.4844 70.8884 173.7662 100 S 4.3363 8.5353 121.3419 57.2881 63.0570 173.9349 101 R 4.0744 8.3782 127.0769 55.3872 30.5274 174.9344 102 P 4.4161 0.0000 0.0000 62.7073 32.1186 175.7110 103 I 4.3851 8.0877 121.2499 59.4353 39.1767 174.9701 104 V 4.2680 8.2217 125.2952 62.7736 32.3311 174.5200 105 Y 4.8713 9.3178 125.8485 56.2049 40.9442 174.2045 106 E 5.3353 9.3052 124.6312 54.2443 32.4254 174.9837 107 R 3.8977 8.8823 127.5018 56.0713 30.8406 176.3038 108 L 4.2205 8.4640 125.5147 55.0422 41.2639 176.8682 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 2 Y 8.00 4.95 0.00 2.89 2.99 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 0.00 0.00 0.00 0.00 3 Q 8.74 4.36 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 4 L 8.71 5.01 0.00 1.54 1.44 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.89 4.61 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 6 F 8.80 5.14 0.00 3.22 3.01 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 0.00 0.00 0.00 7 I 9.00 4.34 1.65 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 0.54 0.55 0.05 0.00 0.00 8 N 9.17 5.26 0.00 3.01 2.81 0.00 0.00 6.69 6.32 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 9 L 8.79 4.50 0.00 1.78 1.72 0.71 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.54 4.73 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 0.81 0.00 0.00 0.99 0.00 0.00 11 Y 7.97 4.73 0.00 3.07 2.83 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 12 D 8.63 4.57 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 13 T 8.40 4.27 4.33 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 1.26 0.00 0.00 14 T 8.09 4.05 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 1.27 0.00 0.00 15 K 7.85 4.40 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.57 7.81 16 L 7.39 4.77 0.00 1.81 1.56 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.60 4.25 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 18 H 8.74 4.41 0.00 3.27 3.37 0.00 5.91 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 3.88 0.00 1.78 1.61 0.88 0.95 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 20 E 8.10 3.84 0.00 2.18 1.88 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 2.21 2.28 0.00 21 Q 8.13 3.95 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 22 T 7.74 3.78 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 1.11 0.00 0.00 23 N 8.04 4.40 0.00 2.81 2.86 0.00 0.00 7.05 7.35 0.00 0.00 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 I 7.82 3.87 1.76 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 1.30 0.69 0.80 0.00 0.00 25 N 8.23 4.47 0.00 2.85 2.89 0.00 0.00 7.09 8.10 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 26 L 7.38 4.12 0.00 0.64 1.21 0.36 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.78 4.58 0.00 3.21 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 *29 G 7.64 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 0.00 0.00 0.00 30 N 7.86 5.35 0.00 2.44 2.62 0.00 0.00 6.62 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 31 W 9.23 5.68 0.00 3.23 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 32 S 9.74 5.48 0.00 4.00 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 33 N 9.32 4.99 0.00 1.73 2.21 0.00 0.00 7.02 7.83 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 34 H 9.03 4.51 0.00 3.35 3.32 0.00 5.96 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.08 3.98 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 36 L 8.37 4.03 0.00 1.52 1.63 0.89 0.80 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 37 Q 7.19 2.00 0.00 1.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 38 K 7.54 5.11 0.00 1.81 1.67 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.44 7.81 39 S 9.82 5.66 0.00 4.07 3.74 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 40 I 8.97 4.93 1.75 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 0.71 0.00 0.00 41 C 8.97 5.09 0.00 2.89 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 42 I 8.84 4.92 2.26 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.90 0.00 0.00 43 R 8.92 4.77 0.00 1.95 1.80 0.00 3.16 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 44 H 8.98 4.88 0.00 3.16 3.18 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.36 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 46 D 8.17 4.61 0.00 2.75 2.65 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 47 D 8.67 4.40 0.00 2.66 2.75 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 48 T 8.07 4.15 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 1.20 0.00 0.00 49 S 7.67 4.26 0.00 3.97 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 50 H 8.46 4.51 0.00 3.10 3.25 0.00 5.85 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 51 N 8.50 4.22 0.00 3.13 3.29 0.00 0.00 6.82 7.78 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 52 Q 7.59 4.95 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 53 Y 9.07 5.00 0.00 2.74 2.84 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 54 H 9.28 5.22 0.00 3.27 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.29 4.52 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.93 0.00 0.00 56 L 8.96 4.51 0.00 1.69 1.80 1.00 0.89 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 57 F 7.89 4.97 0.00 3.04 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 58 I 7.52 4.33 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.62 0.74 0.00 0.00 59 D 8.84 4.32 0.00 2.79 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 60 T 8.28 4.27 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 1.09 0.00 0.00 61 A 8.06 4.05 1.13 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 0.00 0.00 62 H 8.34 4.79 0.00 3.29 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.99 3.82 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.08 2.38 0.00 64 R 8.19 5.30 0.00 1.83 1.79 0.00 3.12 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.79 0.00 65 I 8.17 5.02 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.00 0.89 0.00 0.00 66 K 8.86 5.15 0.00 1.81 1.72 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.47 7.81 67 F 8.50 5.51 0.00 3.29 3.09 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 0.00 0.00 0.00 68 S 9.41 5.46 0.00 4.10 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 0.00 69 S 8.94 3.96 0.00 3.63 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 70 I 7.66 3.79 1.81 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 1.34 0.76 0.88 0.00 0.00 71 D 7.92 4.80 0.00 2.63 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 72 N 7.81 4.93 0.00 2.64 2.69 0.00 0.00 7.16 8.94 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 73 E 8.18 4.50 0.00 2.00 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 2.33 2.39 0.00 74 E 7.86 3.98 0.00 2.21 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 2.30 2.32 0.00 75 I 7.25 4.71 1.94 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 1.19 0.75 0.69 0.00 0.00 76 I 8.45 4.53 1.81 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 1.24 0.65 0.86 0.00 0.00 77 Y 8.81 4.68 0.00 1.43 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 0.00 0.00 0.00 0.00 78 I 8.35 4.80 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.86 0.00 0.00 79 L 8.61 4.88 0.00 0.59 0.75 0.75 0.96 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 80 D 8.94 5.54 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.77 4.49 0.00 2.88 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 82 D 8.24 4.52 0.00 2.56 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 83 D 7.40 4.09 0.00 2.84 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 84 T 8.66 4.11 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 1.27 0.00 0.00 85 Q 8.64 4.63 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 86 H 8.43 5.75 0.00 3.09 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.63 4.91 1.84 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.70 0.55 0.00 0.00 88 L 8.55 5.34 0.00 1.59 1.65 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *90 Q 8.36 4.20 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 91 T 8.37 4.59 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 1.07 0.00 0.00 92 S 8.95 4.78 0.00 3.78 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 93 S 8.21 5.03 0.00 3.83 3.67 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 94 K 9.05 3.87 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 95 Q 8.00 4.09 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 96 G 7.58 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 0.00 0.00 0.00 97 I 8.07 4.24 1.86 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 1.33 0.92 0.90 0.00 0.00 98 G 8.87 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 99 T 7.93 4.48 4.22 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 1.18 0.00 0.00 100 S 8.54 4.34 0.00 3.78 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 0.00 101 R 8.38 4.07 0.00 1.82 1.83 0.00 3.25 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 102 P 0.00 4.42 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 103 I 8.09 4.39 2.03 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 1.32 1.75 0.62 0.00 0.00 104 V 8.22 4.27 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 0.83 0.00 0.00 0.92 0.00 0.00 105 Y 9.32 4.87 0.00 2.80 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 0.00 106 E 9.31 5.34 0.00 2.13 1.89 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 2.22 2.20 0.00 107 R 8.88 3.90 0.00 1.33 1.78 0.00 3.21 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 108 L 8.46 4.22 0.00 1.41 1.49 0.91 0.82 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 * Residues marked with a * may have inaccurate shift predictions.