NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4115 8.2649 123.5944 52.0192 19.8792 176.1661 3 I 4.0819 8.4682 124.3571 59.3494 38.5789 173.3957 4 D 4.5887 8.3323 124.6011 53.0181 42.8853 177.0061 5 V 2.6426 8.2519 126.5240 64.5379 31.3100 177.9021 6 L 4.9904 7.7693 117.8017 55.8755 41.5919 177.6511 7 D 4.4460 7.8907 118.3462 56.0685 41.2952 177.8218 8 V 3.8477 7.4761 117.7925 64.2375 32.3111 175.9822 9 I 4.3985 7.9664 120.8501 58.2714 40.3813 175.3572 10 S 4.4837 8.3292 120.3802 57.9390 64.9314 174.8149 11 L 4.1177 8.5971 125.0413 58.7373 41.8051 179.6654 12 S 4.1612 8.0391 113.4143 61.1693 62.9401 176.0560 13 L 3.9152 7.6281 123.9960 57.6858 41.6288 178.6780 14 F 3.8785 7.9200 117.8734 60.5711 38.7196 177.7703 15 K 4.1390 8.3740 117.9953 59.6350 31.8233 179.4250 16 Q 3.9942 8.1958 118.3992 58.8220 28.3695 178.3433 17 Q 4.0388 8.0427 120.0643 59.0228 29.1549 177.9654 18 I 4.2103 7.4600 110.2357 59.6227 38.4417 175.0548 19 E 3.7079 7.9718 118.5712 57.9353 27.3951 174.9096 20 F 4.7490 8.5023 120.6976 56.9304 40.2850 174.4653 21 E 4.4043 8.1876 126.5000 56.0604 30.0967 176.0976 22 E 4.2329 6.6495 118.3764 55.7193 30.5990 175.8579 23 D 4.8746 8.4156 119.1404 54.3996 41.6814 176.6115 24 D 4.8400 8.0200 117.9457 53.5142 39.8386 176.5943 25 R 4.7928 7.7835 118.1461 55.8989 31.7398 177.1647 26 D 4.3924 8.4668 120.8662 57.4772 40.7450 177.9808 27 E 3.8588 8.0686 119.3131 59.0145 29.7944 178.3482 28 L 3.6204 7.7331 119.8099 58.2274 42.1612 178.7074 29 I 3.8038 7.8154 119.8045 64.8258 37.0077 178.5160 30 T 3.7132 8.1262 116.7114 66.3908 68.1768 176.3781 31 L 3.9075 7.6836 122.1578 58.4297 42.0629 178.5133 32 Y 4.4239 7.7852 116.3961 61.1976 37.7304 178.6884 33 A 3.6936 8.2425 121.6567 55.2124 18.3182 179.7185 34 Q 4.0229 8.5057 116.7750 58.9898 28.7908 178.9427 35 A 4.0731 8.4356 121.7265 55.1699 18.5176 179.5323 36 A 4.1271 8.5590 119.7319 55.2977 18.2860 179.6176 37 F 4.2673 8.4285 118.1294 61.5633 39.6098 176.3887 38 D 4.4614 8.2768 116.3792 57.5076 41.3136 177.2937 39 Y 4.3204 8.2307 119.7941 60.9324 38.8823 179.6472 40 C 4.2647 8.1311 115.5150 60.1636 27.3974 176.0120 *42 R 4.1952 7.9762 121.5636 56.1018 31.7788 177.7827 43 W 3.8931 8.0971 126.3457 60.5998 30.9728 176.9849 44 C 4.2965 8.6091 116.1091 61.0938 27.9704 173.5654 45 D 4.1925 7.1385 117.4804 55.0868 39.3739 174.2033 46 E 3.9308 7.1712 120.2767 53.4738 29.0934 173.9449 47 P 4.2391 0.0000 0.0000 64.3521 31.6319 177.5505 48 A 3.9816 7.9020 121.8163 53.7411 18.4798 177.5047 49 W 4.9649 7.3282 116.0342 56.0169 28.3243 175.9187 50 K 4.5492 9.3929 123.7764 56.3937 33.5235 177.3006 51 V 4.5854 7.6863 110.2661 58.7867 35.7525 175.9195 52 A 3.9470 8.8443 124.1462 55.6020 18.1518 180.1343 53 A 4.0644 7.9330 116.7702 55.0684 18.5645 178.3557 54 D 4.4440 7.9459 114.8632 56.4354 41.1479 176.8566 55 I 2.9901 7.2327 121.2712 59.8592 37.5677 174.8839 56 P 4.3366 0.0000 0.0000 61.8342 33.5073 177.0003 57 A 3.8919 8.4164 120.3332 55.5756 18.2986 180.0260 58 A 4.0122 7.9653 118.5336 55.1495 18.4186 179.9115 59 V 3.6039 7.6198 116.5818 65.9640 31.6364 178.1481 60 K 4.0710 7.9936 118.2721 59.2967 31.8392 179.3772 61 G 3.6125 8.1213 105.6918 47.8091 0.0000 175.2997 62 A 4.0228 8.0503 123.8531 54.9302 18.2923 179.8267 63 V 3.7479 8.2863 116.9243 66.2780 31.6223 178.1784 64 L 4.2389 8.2681 118.7740 57.8604 41.4515 179.5584 65 L 4.0690 8.0702 118.9481 57.8777 41.3758 179.8046 66 V 3.6093 7.8514 117.0248 65.7207 31.5446 177.4328 67 F 4.3337 8.5581 119.6336 61.4929 39.6413 176.6949 68 A 3.8798 8.3464 120.2557 54.8276 18.0065 179.5878 69 D 4.1951 7.8546 113.8119 55.0176 40.9204 177.7416 *71 F 3.7910 7.9848 121.2122 57.2450 40.9548 175.7525 72 E 3.8312 7.8488 118.5976 57.8519 29.5797 175.8938 73 H 4.6678 7.8838 115.3357 54.1749 29.8827 173.4733 74 R 4.2307 8.3598 123.2418 56.2532 30.5838 176.9475 75 T 4.5865 7.3641 108.0559 59.2463 71.2026 174.9339 76 A 4.0771 8.5347 126.1583 54.3190 18.7836 177.6434 77 Q 4.6000 7.4214 114.3972 54.0377 32.6888 174.5719 78 S 4.7644 8.1561 114.3346 56.1993 66.3245 174.0031 79 E 4.0429 8.8479 120.9955 58.8217 29.4860 178.0005 80 V 4.3018 7.2791 110.4184 59.0899 33.5461 175.4462 81 Q 3.8679 8.3863 124.7982 55.9298 29.5475 175.1330 82 L 4.4338 7.8754 124.2411 53.0440 43.6780 175.3047 83 Y 4.6887 7.9992 120.0164 55.7433 40.1128 175.2573 84 E 3.9437 8.7171 125.3149 55.9616 30.4286 175.6542 85 N 4.5425 8.7385 124.8679 52.5985 39.0155 175.1500 86 A 4.0369 8.7016 128.7839 54.9583 18.1112 178.4985 87 A 3.9413 8.2560 118.8369 55.3607 18.4021 179.3854 88 A 4.0585 7.5326 117.7203 55.4728 18.6195 179.2590 89 E 3.7499 7.9225 115.7879 58.5507 31.1025 178.6579 90 R 4.2316 7.7664 119.3322 56.1663 26.2094 176.4264 *93 F 4.9689 7.8488 124.3975 58.1648 41.4937 176.5486 94 I 4.0278 7.5989 110.6803 62.7238 37.3872 175.8690 95 H 5.0790 8.0536 116.7785 55.3131 29.9993 173.6699 96 R 4.1832 7.8602 116.8257 56.1512 29.8619 176.2391 97 N 4.3820 8.6791 118.4417 53.7303 38.9747 174.0240 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 4.41 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 3 I 8.47 4.08 2.32 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.97 0.00 0.00 4 D 8.33 4.59 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 2.64 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 0.81 0.00 0.00 0.95 0.00 0.00 6 L 7.77 4.99 0.00 1.74 1.75 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.89 4.45 0.00 2.73 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 7.48 3.85 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 0.75 0.00 0.00 0.68 0.00 0.00 9 I 7.97 4.40 1.27 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 1.08 0.50 -0.05 0.00 0.00 10 S 8.33 4.48 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 8.60 4.12 0.00 1.81 1.75 0.93 0.85 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 12 S 8.04 4.16 0.00 4.09 4.11 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 0.00 0.00 0.00 0.00 13 L 7.63 3.92 0.00 1.57 1.36 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.92 3.88 0.00 3.06 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 0.00 0.00 0.00 0.00 15 K 8.37 4.14 0.00 2.02 2.19 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.73 7.81 16 Q 8.20 3.99 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 17 Q 8.04 4.04 0.00 2.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 18 I 7.46 4.21 1.51 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.76 0.83 0.00 0.00 19 E 7.97 3.71 0.00 2.20 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 0.00 2.28 2.26 0.00 20 F 8.50 4.75 0.00 2.62 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 21 E 8.19 4.40 0.00 1.86 1.84 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 2.18 2.26 0.00 22 E 6.65 4.23 0.00 1.18 1.82 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 2.13 2.04 0.00 23 D 8.42 4.87 0.00 2.61 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 24 D 8.02 4.84 0.00 2.83 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 7.78 4.79 0.00 2.14 1.99 0.00 3.34 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 26 D 8.47 4.39 0.00 2.71 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 8.07 3.86 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 28 L 7.73 3.62 0.00 1.65 1.63 0.66 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.82 3.80 2.01 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 1.61 0.52 1.11 0.00 0.00 30 T 8.13 3.71 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 1.16 0.00 0.00 31 L 7.68 3.91 0.00 1.76 1.63 0.87 1.03 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 32 Y 7.79 4.42 0.00 3.34 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 33 A 8.24 3.69 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 34 Q 8.51 4.02 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 35 A 8.44 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.13 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 8.43 4.27 0.00 3.17 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 38 D 8.28 4.46 0.00 2.93 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 39 Y 8.23 4.32 0.00 3.29 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 40 C 8.13 4.26 0.00 3.05 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 *42 R 7.98 4.20 0.00 1.82 1.98 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.59 0.00 43 W 8.10 3.89 0.00 2.88 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 44 C 8.61 4.30 0.00 3.24 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 4.19 0.00 2.93 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.17 3.93 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 4.24 0.00 2.13 2.06 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 48 A 7.90 3.98 1.31 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 0.00 0.00 0.00 49 W 7.33 4.96 0.00 3.45 3.07 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 50 K 9.39 4.55 0.00 1.77 1.89 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.56 7.81 51 V 7.69 4.59 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 1.02 0.00 0.00 52 A 8.84 3.95 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 53 A 7.93 4.06 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 54 D 7.95 4.44 0.00 2.92 2.89 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 55 I 7.23 2.99 1.75 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 1.53 0.91 0.69 0.00 0.00 56 P 0.00 4.34 0.00 1.99 1.94 0.00 2.46 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 57 A 8.42 3.89 1.31 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 0.00 0.00 0.00 58 A 7.97 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.60 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 1.10 0.00 0.00 0.92 0.00 0.00 60 K 7.99 4.07 0.00 1.94 1.77 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.55 7.81 61 G 8.12 3.61 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 0.00 0.00 0.00 62 A 8.05 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.75 2.40 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 1.51 0.00 0.00 1.25 0.00 0.00 64 L 8.27 4.24 0.00 1.96 1.78 0.82 0.09 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 65 L 8.07 4.07 0.00 1.93 1.75 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.85 3.61 2.23 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 0.79 0.00 0.00 1.01 0.00 0.00 67 F 8.56 4.33 0.00 3.20 3.62 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 68 A 8.35 3.88 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 7.85 4.20 0.00 2.86 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 7.98 3.79 0.00 2.39 2.82 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 72 E 7.85 3.83 0.00 1.52 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 2.52 2.35 0.00 73 H 7.88 4.67 0.00 3.04 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.36 4.23 0.00 1.69 1.88 0.00 3.21 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.36 0.00 75 T 7.36 4.59 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 1.17 0.00 0.00 76 A 8.53 4.08 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 7.42 4.60 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 78 S 8.16 4.76 0.00 3.85 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 79 E 8.85 4.04 0.00 1.93 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 2.29 2.37 0.00 80 V 7.28 4.30 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 0.68 0.00 0.00 0.89 0.00 0.00 81 Q 8.39 3.87 0.00 1.84 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 1.25 1.90 0.00 82 L 7.88 4.43 0.00 1.45 1.37 0.72 0.48 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 83 Y 8.00 4.69 0.00 2.97 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 84 E 8.72 3.94 0.00 1.94 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 2.29 2.29 0.00 85 N 8.74 4.54 0.00 2.78 2.71 0.00 0.00 7.09 8.25 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 86 A 8.70 4.04 1.31 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 0.00 0.00 0.00 87 A 8.26 3.94 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 A 7.53 4.06 1.31 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 0.00 0.00 0.00 89 E 7.92 3.75 0.00 1.88 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 0.00 2.30 1.96 0.00 90 R 7.77 4.23 0.00 2.01 1.90 0.00 3.19 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 *93 F 7.85 4.97 0.00 3.46 3.35 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 0.00 0.00 0.00 0.00 94 I 7.60 4.03 1.86 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 1.61 0.80 1.07 0.00 0.00 95 H 8.05 5.08 0.00 3.38 3.79 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.86 4.18 0.00 1.68 1.97 0.00 2.69 0.00 0.00 2.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 97 N 8.68 4.38 0.00 2.56 2.65 0.00 0.00 7.01 7.26 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 * Residues marked with a * may have inaccurate shift predictions.