NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3669 8.2649 123.5983 51.5630 20.7763 176.6999 3 I 4.0746 7.8194 116.9655 59.2993 38.4526 173.0679 4 D 4.6742 8.3479 124.8715 52.8490 43.1189 176.7644 5 V 2.6634 8.3336 127.0959 65.0233 30.7502 178.0914 6 L 5.0183 7.8928 118.7216 56.1529 41.5812 178.2681 7 D 4.4788 7.8931 118.0197 55.6089 40.9537 177.9955 8 V 3.9879 7.2221 117.6866 63.2093 32.6928 175.6072 9 I 4.3494 7.6683 119.7057 58.4113 40.1431 175.5640 10 S 4.5467 8.2863 120.3580 57.8848 65.0055 174.8028 11 L 4.1042 8.5573 124.3018 58.4679 41.7937 179.1025 12 S 4.0930 8.1321 112.5795 61.6025 62.2662 176.1939 13 L 3.9033 7.5298 120.8326 57.5965 40.8252 179.2429 14 F 3.7844 7.7653 117.7809 60.6024 38.7497 177.8828 15 K 4.1154 8.4090 118.0496 59.6814 31.8740 179.4231 16 Q 3.9933 8.0768 118.1544 58.8512 28.3697 178.3495 17 Q 4.0513 8.0019 120.0150 58.8648 29.1043 177.9050 18 I 4.2686 7.3252 109.7157 59.4624 38.3571 175.0740 19 E 3.7491 7.9846 118.2169 57.8884 27.5318 174.6546 20 F 4.7677 8.3485 119.9251 56.7233 40.6842 174.6028 21 E 4.3325 8.0468 126.7885 56.6797 30.5109 176.4101 22 E 4.0502 6.6576 117.9010 56.2404 30.0645 175.9893 23 D 4.9215 8.5213 118.8732 53.2706 39.6771 176.2746 24 D 5.0430 8.2150 116.8071 53.6091 39.8474 176.0897 25 R 4.7559 8.0247 116.1229 56.0726 31.8419 177.0455 26 D 4.4887 8.3219 121.6775 57.4074 40.7260 178.3007 27 E 3.9659 8.0940 117.8510 59.0422 29.7908 178.8053 28 L 3.5875 7.6966 120.7363 57.9910 42.2598 178.7652 29 I 3.9178 8.0263 120.0971 64.7957 36.9272 178.6312 30 T 3.7443 7.8613 116.5337 66.3499 68.2426 176.4098 31 L 4.0665 7.7926 122.1958 58.4982 42.0751 178.5939 32 Y 4.4251 7.8896 116.3285 61.1434 37.7359 178.6168 33 A 3.7105 8.2782 121.6168 55.1412 18.2781 179.6754 34 Q 4.0116 8.4146 116.7082 59.0808 28.8205 178.9680 35 A 4.0750 8.5846 121.9240 55.1784 18.4745 179.5265 36 A 4.1100 8.6320 119.7457 55.2809 18.2824 179.6230 37 F 4.2795 8.4727 118.1951 61.4983 39.6181 176.3054 38 D 4.4887 8.2951 116.4679 57.6551 41.3328 177.2858 39 Y 4.3566 8.2211 119.6521 60.9870 38.7507 179.3202 40 C 4.2714 8.2321 115.4442 60.3051 26.5792 175.8970 *42 R 4.1721 7.9874 121.9152 56.0826 31.8123 177.8167 43 W 3.8863 8.1107 126.5673 60.6037 30.7406 176.9852 44 C 4.3676 8.8020 116.2658 61.2707 28.2745 173.2686 45 D 4.2241 7.1352 116.6669 55.5812 39.5533 174.9368 46 E 4.0491 6.8311 120.6388 53.4548 29.2306 173.7067 47 P 4.3551 0.0000 0.0000 63.3220 31.8959 178.0624 48 A 4.0023 7.4734 121.9467 53.8020 18.4712 177.6048 49 W 4.8853 7.6786 116.5548 56.2410 28.7801 175.9529 50 K 4.5142 9.6896 124.0747 56.6170 33.4709 177.1105 51 V 4.5693 7.6955 109.8472 58.7330 35.4286 175.9822 52 A 3.9007 8.8385 123.8308 55.7183 17.9990 179.6404 53 A 4.2299 7.8313 114.9758 53.7188 18.6632 177.9962 54 D 4.4566 8.0318 115.9008 56.2462 41.2702 177.1378 55 I 2.8307 7.0149 120.8837 59.9357 37.4759 174.8942 56 P 4.2417 0.0000 0.0000 61.8854 33.1993 177.3586 57 A 3.9177 8.4043 122.2067 55.2460 18.4834 180.1243 58 A 3.9223 7.8933 118.9109 55.2567 18.5021 179.9113 59 V 3.5565 7.5558 116.3429 65.9815 31.7113 178.0846 60 K 4.0152 8.0867 118.4594 59.4642 31.8875 179.4046 61 G 3.5982 8.3140 105.7284 47.8104 0.0000 175.5284 62 A 4.0319 7.9080 123.2100 54.7857 18.2864 179.8775 63 V 3.7180 8.0279 116.7025 66.2163 31.6467 178.1594 64 L 4.2025 8.0843 118.6901 57.9849 41.5062 179.5975 65 L 4.0621 8.0032 118.7946 57.8379 41.3432 179.8226 66 V 3.5976 7.9474 117.3024 65.6802 31.5523 177.3966 67 F 4.2719 8.5722 119.7039 61.5858 39.5818 176.6837 68 A 3.8722 8.4241 120.1386 54.8554 18.0235 179.4104 69 D 3.9780 7.7595 113.8046 55.2150 41.1544 177.7990 *71 F 3.9142 7.9959 121.2375 57.1304 40.9563 175.6041 72 E 4.0154 7.7338 118.5024 57.4650 29.7697 175.6619 73 H 4.6837 7.9692 115.0884 54.1613 29.7150 173.3359 74 R 4.2779 8.3450 122.6561 56.0476 30.3528 176.8514 75 T 4.5968 7.3598 108.2013 59.2539 71.1339 175.1595 76 A 4.1404 8.5363 125.9517 54.2971 18.7923 177.7968 77 Q 4.6137 7.3979 111.0030 53.9620 32.1434 174.8121 78 S 4.8198 8.2886 115.0072 56.4392 65.9925 173.8831 79 E 4.1722 8.6279 119.8370 57.7104 29.8337 177.2557 80 V 4.2870 7.3301 111.7628 58.9588 33.3966 175.4534 81 Q 3.8398 8.4901 125.4945 56.0969 29.4704 175.2100 82 L 4.4571 7.8982 124.5105 53.1705 43.5563 175.3389 83 Y 4.7046 8.0172 119.4948 55.6956 40.5149 175.3033 84 E 3.9488 8.7378 124.9431 56.0370 30.5841 175.7492 85 N 4.5629 8.7355 124.8027 52.4986 39.0703 175.0006 86 A 4.0360 8.7578 128.9357 55.2603 18.0547 178.6122 87 A 3.9576 8.2119 118.4264 55.1687 18.3851 179.4351 88 A 4.0485 7.5943 118.0280 55.5289 18.6155 179.4102 89 E 3.7090 7.9290 115.0087 58.8276 30.7818 178.8073 90 R 4.2246 7.5586 118.6268 56.4338 27.6420 176.6417 *93 F 5.0753 7.8369 122.5127 58.2005 41.5627 176.1354 94 I 4.1020 7.7001 117.7923 62.8805 37.7931 175.4292 95 H 5.0648 7.9038 115.4774 56.1749 30.3182 173.1204 96 R 4.5203 7.7074 125.2588 56.1279 29.8093 175.9597 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 A 8.26 4.37 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 0.00 0.00 0.00 0.00 0.00 3 I 7.82 4.07 2.26 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.98 0.00 0.00 4 D 8.35 4.67 0.00 2.66 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 5 V 8.33 2.66 1.77 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 0.79 0.00 0.00 0.99 0.00 0.00 6 L 7.89 5.02 0.00 1.63 1.76 0.90 0.88 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 7 D 7.89 4.48 0.00 2.74 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 V 7.22 3.99 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 0.81 0.00 0.00 0.70 0.00 0.00 9 I 7.67 4.35 1.22 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.82 -0.09 0.00 0.00 10 S 8.29 4.55 0.00 4.02 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 11 L 8.56 4.10 0.00 1.76 1.75 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.13 4.09 0.00 3.92 3.83 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 13 L 7.53 3.90 0.00 1.72 1.34 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.77 3.78 0.00 2.98 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 0.00 0.00 0.00 0.00 15 K 8.41 4.12 0.00 2.03 2.15 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.67 1.74 7.81 16 Q 8.08 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 17 Q 8.00 4.05 0.00 2.02 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.07 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 18 I 7.33 4.27 1.54 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.83 0.82 0.00 0.00 19 E 7.98 3.75 0.00 2.17 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 2.30 2.41 0.00 20 F 8.35 4.77 0.00 2.72 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 21 E 8.05 4.33 0.00 1.83 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 0.00 2.19 2.25 0.00 22 E 6.66 4.05 0.00 1.35 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 0.00 2.14 1.89 0.00 23 D 8.52 4.92 0.00 2.78 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 24 D 8.21 5.04 0.00 2.82 2.79 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 25 R 8.02 4.76 0.00 2.00 1.92 0.00 3.29 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 26 D 8.32 4.49 0.00 2.72 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 27 E 8.09 3.97 0.00 2.15 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 0.00 2.35 2.33 0.00 28 L 7.70 3.59 0.00 1.61 1.69 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.03 3.92 2.00 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 1.72 0.59 1.03 0.00 0.00 30 T 7.86 3.74 4.34 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 1.17 0.00 0.00 31 L 7.79 4.07 0.00 1.78 1.63 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.89 4.43 0.00 3.35 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 33 A 8.28 3.71 0.37 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 34 Q 8.41 4.01 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 35 A 8.58 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.47 4.28 0.00 3.18 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 38 D 8.30 4.49 0.00 2.90 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 39 Y 8.22 4.36 0.00 3.21 3.21 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 40 C 8.23 4.27 0.00 3.09 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 *42 R 7.99 4.17 0.00 1.79 1.96 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 43 W 8.11 3.89 0.00 3.02 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 44 C 8.80 4.37 0.00 3.23 3.05 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 0.00 0.00 0.00 45 D 7.14 4.22 0.00 2.82 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 46 E 6.83 4.05 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.36 0.00 2.15 2.07 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 48 A 7.47 4.00 1.25 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 49 W 7.68 4.89 0.00 3.48 3.04 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 50 K 9.69 4.51 0.00 1.74 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.57 7.81 51 V 7.70 4.57 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 0.82 0.00 0.00 1.06 0.00 0.00 52 A 8.84 3.90 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 53 A 7.83 4.23 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 54 D 8.03 4.46 0.00 2.95 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 55 I 7.01 2.83 1.71 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.67 0.00 0.00 56 P 0.00 4.24 0.00 1.69 1.69 0.00 2.51 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 57 A 8.40 3.92 1.26 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 0.00 0.00 0.00 58 A 7.89 3.92 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 59 V 7.56 3.56 1.94 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 1.05 0.00 0.00 0.91 0.00 0.00 60 K 8.09 4.02 0.00 1.95 1.75 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 61 G 8.31 3.60 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 0.00 0.00 0.00 62 A 7.91 4.03 1.38 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 63 V 8.03 3.72 2.38 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 1.53 0.00 0.00 1.25 0.00 0.00 64 L 8.08 4.20 0.00 1.98 1.76 0.81 -0.03 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 65 L 8.00 4.06 0.00 1.92 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.95 3.60 2.22 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 0.75 0.00 0.00 0.99 0.00 0.00 67 F 8.57 4.27 0.00 3.24 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 68 A 8.42 3.87 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 3.98 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 *71 F 8.00 3.91 0.00 2.37 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 72 E 7.73 4.02 0.00 1.64 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 2.52 2.38 0.00 73 H 7.97 4.68 0.00 3.05 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.34 4.28 0.00 1.70 1.89 0.00 3.00 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.40 0.00 75 T 7.36 4.60 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 1.17 0.00 0.00 76 A 8.54 4.14 1.28 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 0.00 0.00 0.00 77 Q 7.40 4.61 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 78 S 8.29 4.82 0.00 3.87 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 79 E 8.63 4.17 0.00 1.96 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 2.27 2.30 0.00 80 V 7.33 4.29 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 0.68 0.00 0.00 0.90 0.00 0.00 81 Q 8.49 3.84 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 1.93 1.48 0.00 82 L 7.90 4.46 0.00 1.48 1.39 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.02 4.70 0.00 2.94 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 84 E 8.74 3.95 0.00 1.96 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 2.31 2.31 0.00 85 N 8.74 4.56 0.00 2.79 2.72 0.00 0.00 7.08 8.65 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 86 A 8.76 4.04 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 87 A 8.21 3.96 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 88 A 7.59 4.05 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 89 E 7.93 3.71 0.00 1.92 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 2.12 2.48 0.00 90 R 7.56 4.22 0.00 1.92 1.91 0.00 3.14 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 *93 F 7.84 5.08 0.00 3.46 3.21 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 94 I 7.70 4.10 2.20 0.00 0.00 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 1.35 0.83 0.99 0.00 0.00 95 H 7.90 5.06 0.00 3.37 3.70 0.00 5.95 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.71 4.52 0.00 1.79 1.59 0.00 2.79 0.00 0.00 2.83 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.