NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3683 0.0000 0.0000 62.6779 32.6170 176.3702 2 T 3.7195 8.2402 116.9494 64.7603 68.7925 171.7719 *4 E 4.2881 7.9934 120.2636 55.5599 31.8748 175.0068 5 G 3.6021 6.6471 110.7509 45.2194 0.0000 169.6134 6 P 4.7854 0.0000 0.0000 62.0385 32.0940 175.6018 7 L 5.0611 8.9123 124.0539 52.7640 46.2959 175.4841 8 R 5.2405 8.6924 119.7892 54.5619 33.0898 175.0634 9 R 4.8962 9.2544 123.4878 54.2949 33.5231 174.1016 10 K 4.6403 8.2953 125.5457 53.5302 35.4549 174.7924 11 T 4.3724 8.2923 123.7737 62.9301 68.8952 174.4194 12 L 4.2826 8.6088 126.7987 56.2897 43.7266 176.9082 13 L 4.7805 7.1713 116.8293 52.9618 46.6578 175.5707 14 K 4.6220 8.7442 123.5810 55.6853 34.6413 175.9566 15 E 3.7304 10.6205 126.4856 57.3664 27.5345 175.8459 16 G 3.9505 8.9110 106.4646 45.1341 0.0000 174.3533 17 R 4.6055 7.6874 115.4190 53.4254 32.5530 174.6597 18 K 4.4913 8.3241 120.4586 55.2406 32.7782 175.1406 19 P 4.3543 0.0000 0.0000 62.2157 32.1147 176.4301 20 A 4.0904 8.6882 124.4101 54.7970 18.5288 178.0188 21 L 4.8067 7.5372 113.8652 53.0222 44.1301 176.2184 22 S 4.5019 8.0748 115.6087 57.2442 65.3837 173.1750 23 S 4.3671 7.8853 116.2679 57.6388 66.1618 173.0227 24 W 4.9346 8.6349 119.9355 56.1548 29.9696 176.4075 25 T 4.6519 8.8440 121.0131 61.6603 71.2570 173.4883 26 R 4.7586 8.4790 125.0387 56.2471 31.1243 175.4611 27 Y 5.3227 9.2663 120.2668 56.3890 43.3146 173.5380 28 W 4.4828 9.2350 132.1955 55.8036 32.7863 174.9403 29 V 4.7474 8.0299 127.0712 60.9691 34.0376 174.1782 30 V 4.6989 8.8534 127.2737 61.0100 34.6879 173.7443 31 L 4.9041 8.5451 129.8687 53.7671 43.7793 174.9116 32 S 4.6855 8.9915 123.4289 56.3006 64.4638 175.1344 33 G 3.8379 9.0477 119.9614 46.9944 0.0000 172.8906 34 A 4.7219 8.7597 125.0928 51.4230 20.4659 174.9855 35 T 4.8933 8.0304 115.2967 63.1322 71.6411 173.3085 36 L 4.8924 8.7917 126.2285 53.1925 43.8424 175.3292 37 L 5.0375 8.9297 124.1229 53.1082 44.6113 174.9019 38 Y 5.0404 8.6824 121.0638 56.3560 40.7763 174.2362 39 Y 5.0918 9.3803 121.9655 56.0415 40.9723 176.0350 40 G 4.4688 9.1609 111.4721 45.7185 0.0000 172.1451 41 A 4.4634 8.5276 122.0167 51.6868 18.5704 178.3582 42 K 4.2302 8.7540 121.8560 58.9973 33.2496 177.3546 43 S 4.2695 7.2616 116.1169 57.6819 64.0289 174.9496 44 L 4.0749 8.2641 116.5608 56.0053 41.9488 176.6432 45 R 4.1621 7.7582 118.5023 55.1843 29.3100 175.9290 46 G 3.9752 8.0803 114.7608 43.6098 0.0000 169.7361 47 T 4.6560 8.3117 115.8273 63.4422 70.1578 174.1248 48 D 4.8862 8.0785 119.9048 52.8068 42.5508 177.0252 49 R 2.5100 8.0934 121.1095 58.9852 29.8441 178.5459 50 K 4.0301 7.5777 114.5341 58.9312 32.7738 176.9573 51 H 4.5340 8.2442 116.9807 56.5294 29.0362 174.2208 52 Y 5.1229 7.5489 116.7928 55.3999 40.8964 175.6906 53 K 4.2777 8.9387 122.2177 56.8804 32.6993 177.5951 54 S 4.3694 8.6261 114.7394 59.6968 63.8247 174.1557 55 T 4.6795 7.8539 115.7496 59.1593 68.5654 172.0877 56 P 4.0402 0.0000 0.0000 62.7886 31.9141 176.2849 57 G 4.0206 8.8665 107.8866 47.3430 0.0000 173.8589 58 K 4.8029 7.6983 118.4816 54.7641 37.0553 175.4934 59 K 4.9408 8.4242 123.6170 55.1947 35.1083 175.4278 60 V 4.3827 8.8978 127.6661 61.0339 34.7703 174.1988 61 S 4.6460 8.7766 123.3878 57.5251 63.2624 173.6143 62 I 2.7706 8.2291 120.3031 59.8127 37.5992 175.2770 63 V 3.7857 7.0709 120.6048 65.0452 31.4505 176.4509 64 G 4.1851 9.2043 115.9570 45.4290 0.0000 174.3764 65 W 4.7068 8.0238 127.3646 56.5767 28.0119 176.7779 *67 V 4.3832 8.1181 125.2827 62.9217 32.0164 175.2135 68 Q 4.7733 9.4058 121.1094 54.2163 33.2241 174.2476 69 L 5.0926 8.4320 122.2684 52.4149 43.0135 175.0022 70 P 4.3078 0.0000 0.0000 63.3102 32.0092 175.4824 71 D 4.1987 7.9054 117.8563 55.5038 39.6132 173.5712 72 D 4.8034 7.6596 118.1371 51.7957 41.8676 174.3384 73 P 4.3072 0.0000 0.0000 65.3050 31.6095 177.8360 74 E 4.0533 8.5130 118.7651 58.7896 30.1547 176.6195 75 H 4.9358 8.3068 115.5641 53.0857 29.5352 172.0309 76 P 4.4579 0.0000 0.0000 64.8498 32.0027 178.1224 77 D 5.2427 8.1115 118.0683 53.3049 40.5689 175.7589 78 I 5.6160 7.6462 117.9876 59.8982 39.1765 175.0616 79 F 5.2820 8.2875 118.2493 55.5037 41.7865 172.7551 80 Q 5.3139 9.5361 121.5427 54.4072 32.0774 173.8451 81 L 5.4559 9.5825 127.2674 53.5191 45.3612 174.7581 82 N 5.5793 9.0260 122.4879 51.3042 42.3263 174.0206 83 N 3.1400 8.1260 120.5228 50.7919 38.8049 174.2208 84 P 4.1089 0.0000 0.0000 65.6891 31.2348 177.3191 85 D 4.5531 7.8371 113.4244 52.4127 39.5867 176.1695 86 K 3.7372 7.7543 117.3393 57.7306 30.2563 176.5775 87 G 3.7418 8.3675 108.5537 47.4407 0.0000 173.7834 88 N 5.2920 8.4527 118.7349 51.2878 41.1222 174.0901 89 V 4.7312 8.0596 123.6194 61.1693 35.1074 173.9001 90 Y 5.1392 9.2864 124.2005 56.1854 42.3941 174.3878 91 K 5.1904 8.7385 120.8429 54.7711 35.8993 175.2311 92 F 5.3254 8.9059 121.0699 55.8610 42.9051 173.8351 93 Q 4.9471 9.2491 122.6643 54.6959 30.1785 176.1868 94 T 4.3659 9.2187 113.2721 61.3508 69.7810 175.2736 95 G 4.0869 10.5863 111.2547 45.7216 0.0000 174.1835 96 S 4.7046 7.7575 112.7649 55.9839 67.2414 175.3694 97 R 4.4302 8.6400 124.9782 59.1202 29.8941 178.4713 98 F 3.9793 8.3842 119.8830 61.9497 39.3633 176.7921 99 H 4.2407 8.9339 115.4288 58.5005 28.4261 177.7100 100 A 4.3347 8.3455 122.9901 55.3172 18.2638 179.7557 101 I 3.5912 7.9237 118.4300 64.2145 37.2108 178.4204 102 L 3.6308 7.6388 121.1190 57.9238 41.8932 179.0878 103 W 3.8457 8.4621 119.2707 59.8314 28.8602 177.8941 104 H 3.7991 8.1978 118.2517 58.9198 29.3199 177.0064 105 K 3.6940 7.9021 121.2345 60.0558 32.0382 178.5188 106 H 4.1338 7.6928 115.7365 58.7344 28.4617 177.9333 107 L 3.9688 8.2572 121.3819 57.5796 41.1986 178.9059 108 D 4.2454 8.0473 117.6634 57.3310 41.4578 177.8042 109 D 4.4295 7.9514 118.9087 57.3577 40.8409 178.5250 110 A 4.0487 7.8477 122.5068 54.8918 18.3126 179.5077 111 C 4.4349 8.5554 115.2003 61.9346 27.8221 175.4425 112 K 4.5644 7.5327 118.2491 57.6358 32.6549 176.6148 113 S 4.7748 8.1978 117.2616 57.2359 65.2703 173.1398 114 S 4.7767 8.3310 113.8761 57.4345 64.7249 173.3530 115 R 4.4721 8.1220 120.6858 54.2491 31.3593 174.9990 116 P 4.4200 0.0000 0.0000 62.9106 31.2948 176.3191 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 1 P 0.00 4.37 0.00 2.03 2.11 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 2 T 8.24 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 0.99 0.00 0.00 *4 E 7.99 4.29 0.00 1.97 2.12 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 2.30 2.36 0.00 5 G 6.65 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 6 P 0.00 4.79 0.00 2.22 2.36 0.00 3.57 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 7 L 8.91 5.06 0.00 1.56 1.61 -0.34 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.69 5.24 0.00 1.74 2.07 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 9 R 9.25 4.90 0.00 1.74 1.79 0.00 2.28 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 10 K 8.30 4.64 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.55 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.79 0.70 7.81 11 T 8.29 4.37 4.15 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 1.06 0.00 0.00 12 L 8.61 4.28 0.00 1.52 1.56 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.17 4.78 0.00 1.40 1.51 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.74 4.62 0.00 1.60 1.52 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.37 7.81 15 E 10.62 3.73 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 16 G 8.91 3.95 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 0.00 0.00 0.00 17 R 7.69 4.61 0.00 1.95 1.93 0.00 2.79 0.00 0.00 3.04 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 18 K 8.32 4.49 0.00 1.67 1.70 0.00 1.55 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 19 P 0.00 4.35 0.00 2.14 1.90 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 20 A 8.69 4.09 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 21 L 7.54 4.81 0.00 1.56 1.53 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.07 4.50 0.00 3.72 3.65 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 23 S 7.89 4.37 0.00 3.87 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 24 W 8.63 4.93 0.00 3.19 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 25 T 8.84 4.65 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 0.73 0.00 0.00 26 R 8.48 4.76 0.00 1.78 2.14 0.00 3.27 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 27 Y 9.27 5.32 0.00 2.98 2.91 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 0.00 0.00 0.00 28 W 9.23 4.48 0.00 2.81 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.75 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 0.39 0.00 0.00 0.62 0.00 0.00 30 V 8.85 4.70 2.34 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 0.91 0.00 0.00 1.32 0.00 0.00 31 L 8.55 4.90 0.00 1.85 1.41 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.99 4.69 0.00 3.90 3.70 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 33 G 9.05 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 0.00 0.00 0.00 34 A 8.76 4.72 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 35 T 8.03 4.89 4.32 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 1.16 0.00 0.00 36 L 8.79 4.89 0.00 1.38 1.10 0.69 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.93 5.04 0.00 1.60 1.35 1.02 0.66 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 38 Y 8.68 5.04 0.00 2.52 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 0.00 0.00 0.00 0.00 39 Y 9.38 5.09 0.00 3.15 3.23 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 40 G 9.16 4.47 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 0.00 41 A 8.53 4.46 1.17 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 0.00 0.00 0.00 42 K 8.75 4.23 0.00 1.79 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.35 7.81 43 S 7.26 4.27 0.00 3.87 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 44 L 8.26 4.07 0.00 1.59 1.73 0.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.76 4.16 0.00 1.64 1.71 0.00 3.15 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 46 G 8.08 3.98 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 0.00 0.00 0.00 47 T 8.31 4.66 4.37 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 1.35 0.00 0.00 48 D 8.08 4.89 0.00 2.51 2.43 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 49 R 8.09 2.51 0.00 0.67 1.41 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 50 K 7.58 4.03 0.00 1.79 1.78 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.24 7.81 51 H 8.24 4.53 0.00 3.09 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.55 5.12 0.00 3.11 3.19 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 0.00 53 K 8.94 4.28 0.00 1.97 1.92 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.59 7.81 54 S 8.63 4.37 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 4.68 4.32 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 1.30 0.00 0.00 56 P 0.00 4.04 0.00 1.90 1.09 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 57 G 8.87 4.02 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 0.00 0.00 0.00 58 K 7.70 4.80 0.00 1.34 1.38 0.00 0.95 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.25 1.23 7.81 59 K 8.42 4.94 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.40 7.81 60 V 8.90 4.38 2.01 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 0.61 0.00 0.00 0.91 0.00 0.00 61 S 8.78 4.65 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 2.77 1.38 0.00 0.00 0.72 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 0.58 -0.09 0.00 0.00 63 V 7.07 3.79 2.12 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 0.80 0.00 0.00 0.92 0.00 0.00 64 G 9.20 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 0.00 0.00 0.00 0.00 65 W 8.02 4.71 0.00 3.42 3.16 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 0.00 0.00 0.00 0.00 *67 V 8.12 4.38 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 0.67 0.00 0.00 1.07 0.00 0.00 68 Q 9.41 4.77 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 69 L 8.43 5.09 0.00 1.40 1.58 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.31 0.00 2.24 2.24 0.00 4.16 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 71 D 7.91 4.20 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.66 4.80 0.00 2.75 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 73 P 0.00 4.31 0.00 2.08 2.12 0.00 3.74 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 2.04 2.10 0.00 74 E 8.51 4.05 0.00 1.87 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 1.80 2.13 0.00 75 H 8.31 4.94 0.00 3.22 3.16 0.00 5.67 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 76 P 0.00 4.46 0.00 2.26 2.34 0.00 3.68 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 77 D 8.11 5.24 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 5.62 1.96 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 0.93 1.34 1.02 0.00 0.00 79 F 8.29 5.28 0.00 3.23 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 80 Q 9.54 5.31 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 81 L 9.58 5.46 0.00 2.30 2.15 1.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 N 9.03 5.58 0.00 2.57 2.56 0.00 0.00 7.09 8.00 0.00 0.00 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 N 8.13 3.14 0.00 1.61 1.42 0.00 0.00 6.81 7.37 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 84 P 0.00 4.11 0.00 1.99 2.16 0.00 3.34 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 85 D 7.84 4.55 0.00 2.72 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 86 K 7.75 3.74 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.29 7.81 87 G 8.37 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 0.00 0.00 0.00 88 N 8.45 5.29 0.00 2.45 2.60 0.00 0.00 6.22 7.19 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 89 V 8.06 4.73 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 1.08 0.00 0.00 0.82 0.00 0.00 90 Y 9.29 5.14 0.00 2.94 2.47 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 91 K 8.74 5.19 0.00 1.60 1.91 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 92 F 8.91 5.33 0.00 1.51 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 0.00 0.00 0.00 0.00 93 Q 9.25 4.95 0.00 1.61 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 94 T 9.22 4.37 4.47 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 1.40 0.00 0.00 95 G 10.59 4.09 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 0.00 0.00 0.00 96 S 7.76 4.70 0.00 4.11 4.02 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 97 R 8.64 4.43 0.00 2.01 2.06 0.00 3.41 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 98 F 8.38 3.98 0.00 3.24 3.13 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 99 H 8.93 4.24 0.00 3.42 3.67 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.35 4.33 1.57 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 0.00 0.00 101 I 7.92 3.59 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 0.74 0.00 0.00 102 L 7.64 3.63 0.00 1.29 1.56 0.73 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.46 3.85 0.00 3.19 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 0.00 104 H 8.20 3.80 0.00 3.13 3.43 0.00 5.60 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 0.00 105 K 7.90 3.69 0.00 1.71 1.71 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.59 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.17 1.33 7.81 106 H 7.69 4.13 0.00 3.00 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.26 3.97 0.00 1.51 1.62 0.49 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.05 4.25 0.00 2.43 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 0.00 109 D 7.95 4.43 0.00 2.86 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 0.00 110 A 7.85 4.05 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 0.00 111 C 8.56 4.43 0.00 3.15 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 0.00 112 K 7.53 4.56 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.51 7.81 113 S 8.20 4.77 0.00 3.98 4.16 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 0.00 0.00 0.00 0.00 114 S 8.33 4.78 0.00 3.99 3.89 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 0.00 115 R 8.12 4.47 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 116 P 0.00 4.42 0.00 2.04 1.96 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.