NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5410 8.2893 120.3340 56.5223 33.4099 173.5055 2 R 4.1355 7.9504 113.7967 55.8728 31.1471 171.9847 3 D 4.6785 9.3462 120.0276 54.0611 42.3984 178.6905 4 Y 4.2982 8.4910 124.0755 56.6488 36.9780 175.7896 5 S 4.5169 7.5791 123.0146 57.4309 64.3861 174.8734 *6 E 4.1878 7.9498 119.2634 56.5059 31.7310 178.0319 *8 E 4.3736 8.3245 115.5017 55.4803 31.7717 177.1510 9 I 3.8024 7.8531 115.4365 64.6564 37.7100 176.6754 10 F 4.6578 7.3721 118.2043 57.5872 39.6619 174.1078 11 E 3.7436 8.9453 124.6382 56.4580 26.8565 173.3638 12 G 4.1963 7.9845 108.8807 42.9928 0.0000 169.9284 13 N 4.8411 8.3465 118.4428 50.2499 41.0560 172.8667 14 P 4.3182 0.0000 0.0000 66.0704 31.4314 178.5972 15 L 4.2678 7.9468 116.8597 57.7349 41.6288 179.0657 16 D 4.4990 8.1172 118.7116 57.0969 40.6640 178.8593 17 K 4.1120 8.0889 118.8332 58.8940 32.1210 178.9879 18 W 4.2785 8.3086 128.6685 60.4545 30.5736 177.5170 19 N 4.1326 8.4279 116.9628 56.7595 38.4234 176.4031 20 D 4.2256 8.0848 120.1866 57.5336 40.9826 179.0112 21 I 3.7009 7.9017 120.1432 64.4695 36.8885 178.5926 22 I 3.3970 7.5272 119.7439 64.0387 36.9491 177.8670 23 F 4.1251 8.2234 116.0445 58.5739 39.1677 176.5000 24 H 4.9302 7.9254 114.0644 54.9926 30.2111 174.3281 25 A 4.2720 7.3366 123.4873 50.7405 19.3581 177.4230 26 S 4.0846 8.5055 112.9322 59.0595 63.3877 175.2897 27 K 4.0061 8.6522 129.1403 58.3040 31.9248 179.2983 28 K 3.9480 7.7609 120.6012 59.3207 32.1793 178.8522 29 L 4.0319 7.7499 119.0894 57.6794 41.5148 179.3970 30 S 4.0545 8.1654 114.3858 61.0601 62.9131 176.5407 31 K 3.9147 7.7073 123.4043 59.1488 31.9760 178.7169 32 K 3.9176 7.8764 119.6416 59.5285 32.0969 178.3979 33 E 3.9831 8.2589 119.6241 59.2301 29.5842 178.8058 34 L 4.0931 8.0633 119.1568 57.7576 41.6192 179.3124 35 E 4.0306 8.3285 118.7299 58.9906 29.3515 179.2532 36 R 3.8735 7.9777 118.9389 59.5225 30.1326 178.5819 37 L 4.0176 7.8911 118.6913 57.7390 41.5744 179.3063 38 L 3.9494 8.0589 120.2834 58.1827 42.0212 178.6986 39 E 3.9452 8.4444 119.4083 58.8641 29.5187 178.5698 40 L 3.9076 8.0805 120.6244 57.8784 42.1175 178.5121 41 L 3.8706 8.1323 120.2619 58.3115 42.0281 178.7025 42 A 3.9802 8.1516 120.6007 55.1567 18.1357 179.6393 43 L 3.9310 7.9826 117.2829 58.0934 41.7760 179.7133 44 L 4.0012 8.2862 119.2561 57.7516 41.6115 179.6146 45 E 3.8230 8.4633 118.7240 59.8063 29.4280 179.4266 46 T 3.8814 8.0203 115.7791 66.5543 68.4880 176.4330 47 F 4.0901 8.5762 122.7925 61.4759 39.3950 177.2498 48 I 3.5481 7.8362 119.3615 64.2225 36.7508 178.4178 49 E 4.1335 7.9956 119.2854 59.2363 29.2238 179.4276 50 K 4.0567 7.9051 117.4859 59.3251 32.6667 177.8012 51 E 3.9667 7.6374 118.0292 55.1356 30.2286 175.1092 52 D 5.2210 7.7797 116.5303 55.4720 39.2546 174.4948 53 L 4.6236 8.3894 115.3773 54.5961 42.2962 177.4550 54 E 4.0488 8.1475 121.3849 59.9761 29.3924 179.1951 55 E 4.1879 8.1585 117.7025 59.2493 29.5838 179.1686 56 K 3.9604 8.1300 118.1291 59.6947 32.1649 178.9684 57 F 4.2810 8.9291 121.0538 61.3268 39.0988 177.1168 58 E 3.9696 8.1755 117.4931 59.2416 29.4213 179.3766 59 S 4.1885 8.2001 115.3117 61.4878 63.0313 176.0701 60 F 4.0352 8.3122 123.1051 61.6051 38.8871 177.2079 61 A 3.4393 7.9546 118.3865 53.8773 18.1297 178.6610 62 K 4.2018 7.6379 114.7435 56.6367 33.0845 177.3819 63 A 4.4687 7.3360 121.1927 51.8069 18.8825 178.0705 64 L 4.0044 7.2997 122.0891 57.5803 42.9130 177.7514 65 R 3.9707 7.9724 117.9944 58.8876 30.0325 177.0191 66 I 3.9825 7.4634 109.3659 62.2905 38.4541 175.3000 67 D 4.6573 7.2851 118.7793 53.9539 42.2097 174.8924 68 E 4.5273 10.2228 118.5316 57.2350 32.1100 178.4064 69 E 4.0797 8.2201 116.2684 58.7104 29.4930 178.2825 70 L 4.1784 7.9936 121.0465 57.3530 42.4234 178.3891 71 Q 3.8987 7.7883 117.7056 59.1037 28.9712 178.0280 72 Q 3.9843 8.0553 120.4890 59.1247 28.9015 178.7662 73 K 3.9392 7.6894 120.0475 59.5393 32.3484 179.0305 74 I 3.8447 7.9926 113.2159 63.6467 37.2399 177.7212 75 E 3.9020 8.2724 121.6628 59.3312 29.4427 178.8802 76 S 4.1482 7.9763 114.9993 61.2788 62.8126 176.5999 77 R 4.7144 7.9235 123.0484 58.7882 29.7145 178.6761 78 K 3.8500 8.2480 118.5969 59.5957 31.9121 179.4339 79 T 3.7860 7.5824 115.9668 66.6645 68.3684 176.3984 80 D 4.3151 8.0218 120.7261 57.4417 40.7775 178.9252 81 I 3.6080 7.8015 120.3054 64.3474 36.9989 178.6002 82 V 3.1301 7.7298 119.1817 65.9639 31.2346 178.1377 83 I 3.7202 7.9632 119.7190 64.4049 36.8939 178.2305 84 Q 3.9458 8.3393 120.6517 59.0344 28.9468 177.9604 85 S 4.9405 8.2599 115.7337 61.4847 62.5176 176.1506 86 M 4.1548 8.5706 121.2074 58.4306 31.7239 178.7537 87 A 4.0743 8.2539 121.0580 55.0629 18.4926 179.5135 88 N 4.3565 8.4448 115.3024 56.5908 38.4147 177.7797 89 I 3.7520 7.5407 120.0851 64.1001 37.2077 177.9901 90 L 4.1159 7.7767 120.7042 58.6894 42.0232 178.0684 91 S 4.1524 8.4549 112.6563 61.3329 62.1692 176.0725 92 G 3.6926 8.5002 112.8919 48.3954 0.0000 173.3747 *93 N 4.5618 7.9547 121.9694 51.8118 38.4142 176.1658 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 M 8.29 4.54 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 2 R 7.95 4.14 0.00 1.74 1.77 0.00 2.46 0.00 0.00 2.83 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.00 3 D 9.35 4.68 0.00 2.63 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 4 Y 8.49 4.30 0.00 2.94 2.94 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 5 S 7.58 4.52 0.00 3.80 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 *6 E 7.95 4.19 0.00 1.73 1.76 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 2.13 2.37 0.00 *8 E 8.32 4.37 0.00 2.01 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 2.13 1.88 0.00 9 I 7.85 3.80 1.58 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.77 0.00 0.00 10 F 7.37 4.66 0.00 3.12 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 11 E 8.95 3.74 0.00 2.15 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 2.24 2.39 0.00 12 G 7.98 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 13 N 8.35 4.84 0.00 2.74 2.82 0.00 0.00 6.99 7.71 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 14 P 0.00 4.32 0.00 2.21 2.12 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 15 L 7.95 4.27 0.00 1.77 1.86 0.95 1.05 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 16 D 8.12 4.50 0.00 2.87 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 17 K 8.09 4.11 0.00 2.01 1.93 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.48 7.81 18 W 8.31 4.28 0.00 3.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.43 4.13 0.00 2.98 3.01 0.00 0.00 7.25 8.31 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 20 D 8.08 4.23 0.00 2.94 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 21 I 7.90 3.70 2.03 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 1.57 0.74 0.88 0.00 0.00 22 I 7.53 3.40 1.46 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.20 0.09 0.00 0.00 23 F 8.22 4.13 0.00 2.94 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 24 H 7.93 4.93 0.00 3.20 3.30 0.00 5.67 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 25 A 7.34 4.27 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 26 S 8.51 4.08 0.00 3.88 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 27 K 8.65 4.01 0.00 1.77 1.80 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.28 7.81 28 K 7.76 3.95 0.00 1.75 1.77 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 29 L 7.75 4.03 0.00 1.82 1.67 0.95 0.86 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 30 S 8.17 4.05 0.00 3.81 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 31 K 7.71 3.91 0.00 1.84 2.01 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 32 K 7.88 3.92 0.00 1.89 1.93 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 E 8.26 3.98 0.00 2.15 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 0.00 2.40 2.50 0.00 34 L 8.06 4.09 0.00 2.02 1.68 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.33 4.03 0.00 2.16 1.99 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 2.32 2.39 0.00 36 R 7.98 3.87 0.00 2.10 2.05 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 37 L 7.89 4.02 0.00 1.98 1.77 1.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.06 3.95 0.00 1.79 1.91 0.94 0.65 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 39 E 8.44 3.95 0.00 2.14 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 2.31 0.00 40 L 8.08 3.91 0.00 1.90 1.80 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.13 3.87 0.00 1.95 1.84 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.15 3.98 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 43 L 7.98 3.93 0.00 2.04 1.71 0.95 0.47 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 44 L 8.29 4.00 0.00 1.74 1.65 0.88 0.78 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 45 E 8.46 3.82 0.00 1.97 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 2.22 2.49 0.00 46 T 8.02 3.88 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 47 F 8.58 4.09 0.00 3.08 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 48 I 7.84 3.55 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.97 0.91 0.00 0.00 49 E 8.00 4.13 0.00 2.17 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 2.47 2.38 0.00 50 K 7.91 4.06 0.00 1.83 1.89 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.23 7.81 51 E 7.64 3.97 0.00 1.17 1.53 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 1.95 2.19 0.00 52 D 7.78 5.22 0.00 2.71 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 53 L 8.39 4.62 0.00 1.61 1.67 0.89 1.09 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 54 E 8.15 4.05 0.00 2.03 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 2.42 2.42 0.00 55 E 8.16 4.19 0.00 2.03 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 2.42 2.42 0.00 56 K 8.13 3.96 0.00 1.86 1.94 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.48 7.81 57 F 8.93 4.28 0.00 3.15 3.28 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 58 E 8.18 3.97 0.00 2.17 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 0.00 2.47 2.82 0.00 59 S 8.20 4.19 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.31 4.04 0.00 3.10 3.17 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 61 A 7.95 3.44 0.81 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 62 K 7.64 4.20 0.00 1.99 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.53 7.81 63 A 7.34 4.47 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 64 L 7.30 4.00 0.00 1.21 1.57 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.97 3.97 0.00 1.74 1.89 0.00 3.25 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 66 I 7.46 3.98 1.84 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 1.24 0.71 0.88 0.00 0.00 67 D 7.29 4.66 0.00 2.88 2.57 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 68 E 10.22 4.53 0.00 2.00 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 2.20 2.20 0.00 69 E 8.22 4.08 0.00 2.20 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 0.00 2.50 2.38 0.00 70 L 7.99 4.18 0.00 1.83 1.66 0.83 1.13 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 71 Q 7.79 3.90 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 72 Q 8.06 3.98 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 73 K 7.69 3.94 0.00 2.16 1.98 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.47 7.81 74 I 7.99 3.84 1.93 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 1.40 0.45 1.02 0.00 0.00 75 E 8.27 3.90 0.00 2.38 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 2.30 2.38 0.00 76 S 7.98 4.15 0.00 4.10 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 77 R 7.92 4.71 0.00 2.06 2.07 0.00 3.18 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 78 K 8.25 3.85 0.00 1.92 1.71 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.75 7.81 79 T 7.58 3.79 4.41 0.00 0.00 0.00 0.00 0.00 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 80 D 8.02 4.32 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.61 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 0.74 0.00 0.00 82 V 7.73 3.13 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 1.20 0.00 0.00 0.34 0.00 0.00 83 I 7.96 3.72 2.01 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 1.42 0.55 0.92 0.00 0.00 84 Q 8.34 3.95 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 85 S 8.26 4.94 0.00 4.25 4.35 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 86 M 8.57 4.15 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.72 0.00 87 A 8.25 4.07 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 88 N 8.44 4.36 0.00 3.01 2.89 0.00 0.00 6.97 6.94 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 89 I 7.54 3.75 1.89 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 1.39 0.59 0.90 0.00 0.00 90 L 7.78 4.12 0.00 1.97 1.70 0.93 1.10 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 91 S 8.45 4.15 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.56 0.00 2.50 2.64 0.00 0.00 6.50 7.56 0.00 0.00 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.