NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.5703 8.3493 120.3202 51.3109 40.1308 173.3052 17 L 4.2883 7.5726 119.2867 53.4325 40.8033 171.9572 18 I 4.4562 8.3939 122.8320 60.6466 39.8340 175.7281 19 W 5.0107 9.3769 135.0000 55.9271 34.2248 174.0257 20 G 3.7787 6.6428 109.7205 44.9706 0.0000 171.6758 21 C 4.4334 7.5246 116.6054 55.6662 33.7196 172.0849 22 E 5.0717 8.3958 119.1381 54.3792 31.8558 174.5728 23 L 5.1427 8.6818 126.8792 53.4091 45.1458 175.3387 24 N 5.1760 8.8116 118.3605 52.0917 40.5459 174.4546 25 E 3.9150 8.6701 119.3707 59.4062 29.5179 177.6204 26 Q 4.5744 7.5746 115.6824 55.4534 29.7762 175.5785 27 N 4.6995 7.3602 110.2822 53.3420 42.2028 175.5796 28 K 4.5874 7.3924 116.4238 57.5609 33.6963 178.4372 29 T 5.7891 7.6243 115.4998 61.1674 73.1131 173.4250 30 F 4.6510 8.7292 125.2536 57.4707 42.8015 172.1583 31 E 4.8582 8.2939 127.9358 54.9973 31.0492 174.7853 32 F 5.0068 9.4798 132.7540 57.5686 40.6118 174.9800 33 K 4.4919 7.8255 129.0066 54.0166 35.3823 170.6053 34 V 2.8597 8.1172 120.4298 61.1462 30.5257 172.1920 *43 H 4.6918 8.4151 120.2948 55.7912 29.9010 172.6494 44 Q 4.7809 8.1022 118.4119 54.1674 33.3925 173.9425 45 L 4.3908 8.9488 124.6503 53.6429 43.6539 175.1023 46 A 4.8078 8.7882 129.8258 50.6707 19.8586 176.5856 47 L 4.4686 8.4431 123.2590 55.7002 42.3370 176.7847 48 R 4.6301 9.3654 119.5654 57.6138 32.9911 175.5744 49 T 5.1279 7.9422 106.7120 60.1073 73.0693 172.4931 50 V 5.0115 8.6523 121.8453 61.4248 34.8571 174.0237 51 C 5.1883 8.9607 120.6896 57.2435 33.3055 172.6994 52 L 4.7537 8.3697 120.3905 53.4334 42.9232 177.1465 53 G 4.1028 8.9351 110.5946 45.8559 0.0000 174.4888 54 D 4.5587 8.8653 119.6492 55.0939 39.7794 177.2076 55 K 4.3490 7.8653 117.6799 55.8704 32.4047 176.3464 56 A 4.3374 7.6208 122.0692 51.3964 18.7473 178.3427 57 K 4.2144 8.3001 120.1562 56.5443 33.1131 177.5049 58 D 4.7733 8.1758 122.0556 52.9583 38.9358 174.2360 59 E 4.6636 7.6218 119.8741 53.8811 34.4634 175.4042 60 F 4.6464 8.6175 118.9220 57.8748 39.7995 174.7515 61 H 5.1807 9.8698 120.8822 54.0805 31.6328 173.2910 62 I 5.1480 8.5239 123.1414 59.4095 40.5358 174.7239 63 V 5.1237 8.6013 126.7125 59.8311 34.0957 174.5842 64 E 5.2732 9.5429 121.1793 54.7357 33.7190 174.1518 65 I 4.7642 8.5182 121.1471 59.7872 39.3827 174.8933 66 V 5.0265 8.6415 126.9377 60.5773 33.3396 175.5780 67 D 4.6182 8.7211 125.3559 54.0957 42.9728 175.7613 *74 K 4.0978 8.0036 123.0861 55.1736 33.7354 179.8639 75 S 4.8764 8.7388 120.4117 55.5723 64.3579 173.3752 76 V 4.3167 8.6955 127.7386 60.2189 33.2490 172.7554 77 P 4.9971 0.0000 0.0000 63.1709 31.3826 176.4964 78 I 4.7717 8.8058 114.0727 60.2414 39.5330 175.1451 79 A 4.8074 7.9065 123.9131 50.7471 22.8004 174.9304 80 T 5.1811 8.5505 117.0350 61.8976 71.7321 173.4435 81 L 5.0563 9.1879 125.2408 53.3908 47.1010 175.4447 82 K 4.6661 8.9008 121.0487 55.6391 35.3963 174.5438 83 P 4.1649 0.0000 0.0000 65.6758 31.3307 177.2077 84 S 4.5941 7.8095 108.9329 58.2391 63.3607 173.6799 85 I 4.2310 7.4399 119.3345 62.4687 39.1734 175.9724 86 L 4.2825 8.4201 126.7188 53.7665 43.7324 173.7129 87 P 4.5843 0.0000 0.0000 63.5125 32.1352 174.7586 88 M 5.1865 7.4097 114.7010 54.6014 34.2300 173.5373 89 A 4.7904 8.8759 119.9599 50.6030 23.2432 175.1456 90 T 4.7361 8.5046 116.7632 62.9085 69.7812 174.1655 91 M 4.6619 8.9718 126.6028 53.5646 33.7576 175.8672 92 V 4.2278 8.1462 121.9831 62.2201 34.2407 176.2581 93 G 3.7605 9.0516 114.7986 45.3915 0.0000 173.0590 94 I 4.1911 7.1845 121.3991 60.5087 37.8107 174.5700 95 E 5.2278 8.6868 126.4675 54.3416 32.4102 175.7416 96 L 4.8599 9.2567 124.1909 52.9193 45.8766 175.2685 97 D 5.0971 8.6670 122.8590 52.5667 41.6886 174.8990 98 P 4.5960 0.0000 0.0000 62.1989 32.1467 173.7038 99 P 5.0462 0.0000 0.0000 61.9674 33.1121 175.2669 100 V 4.4784 8.5280 114.0468 59.9686 36.2765 174.3557 101 T 4.9302 8.0525 120.6610 61.8169 71.4231 173.2417 102 F 5.3231 8.8479 125.2414 56.4913 40.8363 174.7502 103 R 5.1831 9.0009 124.3004 54.4128 33.0267 174.7497 104 L 4.7865 8.9361 129.0573 54.2888 41.0795 176.0431 105 K 4.3065 8.9984 128.9941 58.8637 33.1058 176.5077 106 A 4.6098 7.8873 119.5508 51.3709 22.8248 176.9866 107 G 4.0671 8.9948 103.4482 46.0749 0.0000 173.7676 108 S 4.4329 8.7661 113.3249 57.3466 64.4538 175.6539 109 G 3.9692 8.0824 108.3261 43.5652 0.0000 170.3652 110 P 4.3687 0.0000 0.0000 62.3827 32.3746 175.6866 111 L 4.7607 8.2576 125.5649 53.2801 45.3707 174.4335 112 Y 5.1857 8.6882 123.7656 56.3018 40.9017 174.6550 113 I 5.0033 8.0646 123.8720 59.4994 40.2010 174.8459 114 S 4.9136 8.7451 119.9690 56.9620 67.0271 173.2962 115 G 4.2000 9.0012 106.4548 46.8819 0.0000 171.8839 116 Q 5.1659 8.4031 117.5095 54.5463 33.4575 174.7397 117 H 4.8646 8.1978 120.7522 56.1451 29.7265 175.9862 118 V 4.0284 7.9836 120.7657 62.2953 30.8809 173.7180 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 16 D 8.35 4.57 0.00 2.81 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 17 L 7.57 4.29 0.00 2.11 2.16 1.02 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.39 4.46 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.92 0.00 0.00 19 W 9.38 5.01 0.00 3.34 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 20 G 6.64 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 0.00 0.00 0.00 21 C 7.52 4.43 0.00 1.74 1.43 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 22 E 8.40 5.07 0.00 2.11 1.86 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 2.13 2.12 0.00 23 L 8.68 5.14 0.00 1.60 1.57 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.81 5.18 0.00 2.94 2.85 0.00 0.00 6.57 7.07 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 25 E 8.67 3.92 0.00 1.94 2.04 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 2.33 2.35 0.00 26 Q 7.57 4.57 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.28 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 27 N 7.36 4.70 0.00 2.95 2.79 0.00 0.00 7.07 8.78 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 28 K 7.39 4.59 0.00 1.75 1.87 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.70 1.62 7.81 29 T 7.62 5.79 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 1.26 0.00 0.00 30 F 8.73 4.65 0.00 3.32 3.15 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 0.00 31 E 8.29 4.86 0.00 1.94 1.66 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 2.14 2.26 0.00 32 F 9.48 5.01 0.00 3.73 3.30 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 0.00 33 K 7.83 4.49 0.00 1.53 1.51 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.99 7.81 34 V 8.12 2.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.84 0.00 0.00 *43 H 8.42 4.69 0.00 3.16 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.10 4.78 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 45 L 8.95 4.39 0.00 0.76 1.00 -0.20 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.79 4.81 1.24 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 0.00 0.00 47 L 8.44 4.47 0.00 1.57 1.62 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.37 4.63 0.00 1.66 1.89 0.00 3.24 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 49 T 7.94 5.13 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 1.20 0.00 0.00 50 V 8.65 5.01 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 1.01 0.00 0.00 0.90 0.00 0.00 51 C 8.96 5.19 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.75 0.00 1.48 1.47 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.94 4.10 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 0.00 54 D 8.87 4.56 0.00 2.80 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 55 K 7.87 4.35 0.00 1.76 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.36 7.81 56 A 7.62 4.34 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 57 K 8.30 4.21 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.41 7.81 58 D 8.18 4.77 0.00 2.64 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 59 E 7.62 4.66 0.00 1.99 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 0.00 2.38 2.20 0.00 60 F 8.62 4.65 0.00 3.01 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 61 H 9.87 5.18 0.00 3.18 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.52 5.15 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 1.00 0.00 0.00 63 V 8.60 5.12 2.14 0.00 0.00 0.00 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 1.12 0.00 0.00 64 E 9.54 5.27 0.00 2.03 2.13 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 2.41 2.31 0.00 65 I 8.52 4.76 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.97 0.83 0.00 0.00 66 V 8.64 5.03 2.06 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 1.23 0.00 0.00 0.94 0.00 0.00 67 D 8.72 4.62 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.10 0.00 1.50 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 75 S 8.74 4.88 0.00 3.86 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 76 V 8.70 4.32 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 0.95 0.00 0.00 0.94 0.00 0.00 77 P 0.00 5.00 0.00 1.99 2.00 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 78 I 8.81 4.77 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.04 0.00 0.00 79 A 7.91 4.81 1.24 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 0.00 0.00 80 T 8.55 5.18 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 1.28 0.00 0.00 81 L 9.19 5.06 0.00 1.52 1.68 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.90 4.67 0.00 1.29 1.32 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.01 7.81 83 P 0.00 4.16 0.00 2.13 2.06 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 84 S 7.81 4.59 0.00 3.90 4.03 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 85 I 7.44 4.23 1.87 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 1.15 0.92 0.97 0.00 0.00 86 L 8.42 4.28 0.00 1.65 1.52 0.93 0.99 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 87 P 0.00 4.58 0.00 2.23 2.23 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 88 M 7.41 5.19 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 89 A 8.88 4.79 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 90 T 8.50 4.74 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 91 M 8.97 4.66 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 92 V 8.15 4.23 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 1.02 0.00 0.00 0.93 0.00 0.00 93 G 9.05 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.18 4.19 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.95 0.00 0.00 95 E 8.69 5.23 0.00 1.79 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 2.17 2.41 0.00 96 L 9.26 4.86 0.00 1.43 1.48 1.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.67 5.10 0.00 2.57 2.62 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 98 P 0.00 4.60 0.00 2.10 2.06 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 99 P 0.00 5.05 0.00 2.20 2.01 0.00 3.69 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 1.90 1.95 0.00 100 V 8.53 4.48 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 0.96 0.00 0.00 101 T 8.05 4.93 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 F 8.85 5.32 0.00 3.35 3.11 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 0.00 103 R 9.00 5.18 0.00 1.92 1.80 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 104 L 8.94 4.79 0.00 1.70 1.65 1.06 0.56 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 0.00 105 K 9.00 4.31 0.00 2.03 1.85 0.00 2.10 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.41 7.81 106 A 7.89 4.61 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 0.00 107 G 8.99 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 0.00 0.00 0.00 108 S 8.77 4.43 0.00 4.01 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 0.00 109 G 8.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.37 0.00 1.64 1.76 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 111 L 8.26 4.76 0.00 1.59 1.34 0.92 0.67 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 0.00 112 Y 8.69 5.19 0.00 2.91 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 0.00 113 I 8.06 5.00 1.48 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 0.68 0.00 0.00 114 S 8.75 4.91 0.00 3.74 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 0.00 115 G 9.00 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 0.00 0.00 0.00 0.00 116 Q 8.40 5.17 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 117 H 8.20 4.86 0.00 3.04 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.98 4.03 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 0.52 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.