NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4504 8.1927 115.2926 58.3061 64.0257 174.4163 8 T 3.7988 8.4486 120.9498 64.6259 67.2978 175.2541 9 A 4.0059 8.1408 122.5356 54.9518 18.8115 178.7028 10 L 4.1206 7.9748 118.7985 58.3973 42.1901 178.8617 11 R 3.8630 8.1951 118.6339 59.8405 30.0050 178.1694 12 E 3.9841 8.1746 117.8069 59.3866 29.3484 179.2475 13 L 4.0556 8.2195 120.3854 58.0146 42.0914 178.8356 14 I 3.6642 8.1362 120.2640 64.6622 37.0200 178.2442 15 E 3.9343 8.4793 119.4695 59.2819 29.2762 179.2344 16 E 3.9682 8.3166 118.6096 59.5270 29.2531 179.4048 17 L 4.0225 8.1658 119.1208 57.7508 41.5328 179.7302 18 V 3.5781 8.0803 118.4612 65.9699 31.2288 177.4145 19 N 4.3037 8.2785 116.1582 56.5245 38.9337 176.0529 20 I 4.2034 7.6822 111.0286 61.6187 38.3357 176.5003 21 T 4.6334 7.5801 112.0868 62.2292 69.7352 174.3684 22 Q 4.2878 7.6149 120.4130 54.9525 28.3400 180.0447 *27 P 4.1808 0.0000 0.0000 62.6945 31.1849 174.6729 28 L 3.8247 8.3447 126.7574 57.2873 43.2378 178.0281 29 C 4.3017 8.9186 123.1021 57.7530 37.5653 172.6482 30 N 4.5379 7.7111 116.7852 55.3840 39.3198 173.7205 31 G 4.0701 8.9833 114.0456 45.4984 0.0000 173.6349 32 S 4.3248 8.0944 116.9008 58.5975 63.7402 173.4656 33 M 5.1889 8.5157 123.7647 53.6443 34.8123 175.2633 34 V 4.2981 8.6816 114.5270 58.7458 36.7772 174.8571 35 W 4.8822 7.7930 122.4718 56.9226 29.1518 177.1162 36 S 4.6834 9.1584 121.2739 58.9001 63.0989 173.9525 37 I 4.5941 8.2217 122.3468 59.7257 40.6261 176.0048 38 N 4.5048 8.5963 123.3984 52.8114 37.4876 175.2591 39 L 3.5780 7.1393 118.2704 55.0108 41.2863 177.0801 40 T 4.5752 7.9329 116.7816 59.4811 70.7437 172.4379 41 A 3.8358 8.4869 126.8168 54.0179 18.5064 178.6037 42 G 4.0405 8.7117 109.3136 46.5122 0.0000 174.7876 43 M 4.4310 7.2217 120.4008 55.5150 31.7936 178.1940 44 Y 4.1795 7.8154 119.0506 61.3022 38.3511 178.4524 45 C 4.3503 8.3691 116.8037 60.0256 39.1693 175.7710 46 A 4.0307 8.1250 121.5995 55.1836 17.9525 179.2574 47 A 4.3057 8.0446 118.9830 55.4439 18.4586 179.7013 48 L 3.9855 8.0963 118.6352 58.3522 41.9929 178.7990 49 E 4.0551 8.5001 118.0406 59.5055 29.5119 179.2786 50 S 4.4749 8.3557 113.0593 61.5967 62.7472 176.3235 51 L 3.8548 8.1076 121.5067 57.2497 41.1020 179.1681 52 I 3.8145 8.0154 118.2574 63.3476 37.9504 176.6133 53 N 4.6534 7.6078 115.3369 52.8194 38.7810 174.8801 54 V 3.9217 7.1891 122.0614 62.1076 32.2605 175.4261 55 S 4.6059 8.7920 121.2216 58.7278 64.6649 174.9420 56 G 4.0197 7.9391 108.2104 44.9666 0.0000 173.6685 57 C 4.7745 7.8847 120.3616 53.4846 40.8885 174.3335 58 S 4.1532 8.5537 123.4111 60.9200 62.5765 175.7246 59 A 4.1873 8.0871 123.2874 53.7150 18.4120 178.1144 60 I 4.3666 7.1631 108.9734 60.7910 38.1629 177.3019 61 E 4.2513 8.0114 123.6335 59.0572 29.2689 179.0519 62 K 3.9627 7.9725 119.2164 59.7709 32.4254 178.6328 63 T 3.9311 8.0058 115.5572 66.8935 67.9204 176.1657 64 Q 4.0261 8.2299 119.6047 59.1381 28.5715 179.2211 65 R 3.9577 7.8093 117.3933 59.5377 30.2918 178.6796 66 M 4.2399 8.6243 118.6761 58.5633 31.9697 178.7174 67 L 4.2871 8.5778 119.6643 58.0318 41.6960 179.7466 68 S 4.2458 8.1356 113.9367 61.4499 62.5374 176.7722 69 G 3.4911 7.6605 108.5430 47.1794 0.0000 174.7487 70 F 4.3910 8.0159 117.5231 56.6471 39.1869 174.6436 71 C 4.9209 7.3879 120.2329 53.7478 44.7146 172.5824 72 P 3.8784 0.0000 0.0000 64.5413 31.2279 175.5822 73 H 5.0249 7.0469 113.7761 52.9075 31.0870 173.5838 74 K 4.0553 8.5462 121.8790 56.3512 32.6133 176.1719 75 V 4.4325 8.2958 125.2165 61.0632 33.8891 174.7124 76 S 4.6923 8.2342 121.7697 55.9891 66.1288 173.3848 77 A 4.1203 8.3900 126.5388 53.9306 18.5072 178.1130 78 G 4.0296 8.7206 109.9628 45.1544 0.0000 173.6622 79 Q 4.5525 7.0921 117.9194 53.9932 30.5536 175.0402 80 F 5.1229 8.3382 119.6607 56.3288 42.7211 173.4450 81 S 4.7843 8.6880 116.5781 59.9637 69.2554 175.6854 82 S 4.0357 8.4044 114.2879 60.3337 62.4486 173.6016 83 L 4.3138 8.7585 122.6992 54.0542 40.6685 175.3609 84 H 4.4402 8.4223 123.7688 56.7753 29.3903 176.1685 85 V 4.2388 7.5135 118.3394 60.9896 33.1483 175.7343 86 R 3.7836 7.7682 125.0775 53.6558 29.6561 173.0799 87 D 4.8469 7.3910 116.6451 55.5438 44.9016 176.3401 88 T 4.2281 7.8161 114.3248 63.7604 70.1380 172.9585 89 K 5.1064 8.7279 127.1971 54.6029 34.5589 174.9758 90 I 4.8102 8.9820 119.3540 58.6062 41.7797 174.3232 91 E 4.2864 8.8234 122.3283 57.1699 30.0615 177.9688 92 V 3.5405 8.7619 124.0973 66.3896 31.5430 178.1021 93 A 4.0192 8.1117 119.5563 55.3693 18.0672 179.2394 94 Q 3.8798 8.0547 117.2273 59.2684 29.2027 177.5410 95 F 3.9406 8.3109 121.7691 61.7818 39.3122 177.4733 96 V 3.7412 8.5501 117.8555 65.7945 31.3590 178.1761 97 K 3.9703 8.2215 118.4329 59.5931 32.0403 179.0973 98 D 4.3033 8.3090 119.4181 57.0559 40.5868 178.5810 99 L 3.7759 8.0244 121.3051 57.8142 42.0035 178.5993 100 L 3.9040 8.0074 120.3625 58.4047 42.0510 179.0414 101 L 3.9693 7.7890 118.5853 57.9646 41.4830 179.0504 102 H 4.0998 8.0824 117.8829 59.3095 29.7457 177.4277 103 L 3.9386 8.1605 120.9928 57.5774 41.3380 179.5760 104 K 3.9645 8.4265 119.0218 59.1424 31.8545 179.3192 105 K 3.9317 8.0079 119.9331 59.4059 32.2306 178.6493 106 L 3.9208 7.7326 119.3145 57.9298 41.0507 179.3700 107 F 4.0055 8.4609 120.3804 61.5007 39.1439 177.3830 108 R 4.0924 8.3402 116.7128 59.3346 29.8994 178.6011 109 E 4.1760 8.2549 117.8655 56.8703 29.6235 177.1805 110 G 3.7135 7.7259 105.2785 46.7337 0.0000 173.6929 111 R 4.2058 7.7841 123.8367 55.9373 30.6143 175.8625 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 7 S 8.19 4.45 0.00 3.95 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 8 T 8.45 3.80 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 1.21 0.00 0.00 9 A 8.14 4.01 1.07 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 10 L 7.97 4.12 0.00 2.03 2.09 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.20 3.86 0.00 2.23 2.27 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 12 E 8.17 3.98 0.00 2.32 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 2.36 2.51 0.00 13 L 8.22 4.06 0.00 1.99 1.95 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.14 3.66 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.76 0.00 0.00 15 E 8.48 3.93 0.00 2.12 1.98 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 2.27 2.58 0.00 16 E 8.32 3.97 0.00 2.18 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 2.35 2.53 0.00 17 L 8.17 4.02 0.00 1.82 1.73 0.95 1.16 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 18 V 8.08 3.58 2.20 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 0.97 0.00 0.00 0.95 0.00 0.00 19 N 8.28 4.30 0.00 2.88 3.03 0.00 0.00 7.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.68 4.20 1.89 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 1.83 0.76 1.03 0.00 0.00 21 T 7.58 4.63 4.25 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 1.23 0.00 0.00 22 Q 7.61 4.29 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 *27 P 0.00 4.18 0.00 2.19 2.18 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 28 L 8.34 3.82 0.00 1.62 1.65 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.92 4.30 0.00 3.08 3.01 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 0.00 0.00 0.00 30 N 7.71 4.54 0.00 2.82 2.73 0.00 0.00 7.57 7.98 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 31 G 8.98 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 32 S 8.09 4.32 0.00 3.96 3.73 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 33 M 8.52 5.19 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 34 V 8.68 4.30 1.72 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 0.60 0.00 0.00 0.56 0.00 0.00 35 W 7.79 4.88 0.00 3.18 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 36 S 9.16 4.68 0.00 3.90 3.90 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 0.00 0.00 0.00 37 I 8.22 4.59 1.86 0.00 0.00 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 1.43 0.59 0.84 0.00 0.00 38 N 8.60 4.50 0.00 2.65 2.74 0.00 0.00 7.04 7.78 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 39 L 7.14 3.58 0.00 1.53 1.33 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.93 4.58 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 1.18 0.00 0.00 41 A 8.49 3.84 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 42 G 8.71 4.04 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 0.00 0.00 0.00 43 M 7.22 4.43 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 44 Y 7.82 4.18 0.00 3.15 3.03 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 45 C 8.37 4.35 0.00 3.07 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 46 A 8.12 4.03 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 47 A 8.04 4.31 1.55 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 0.00 0.00 48 L 8.10 3.99 0.00 1.92 1.90 0.97 1.02 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 49 E 8.50 4.06 0.00 2.33 2.30 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 2.35 2.48 0.00 50 S 8.36 4.47 0.00 4.14 4.05 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 51 L 8.11 3.85 0.00 1.83 1.68 1.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.02 3.81 2.03 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 1.51 1.00 0.89 0.00 0.00 53 N 7.61 4.65 0.00 2.85 2.86 0.00 0.00 6.91 7.78 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 54 V 7.19 3.92 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 0.74 0.00 0.00 0.89 0.00 0.00 55 S 8.79 4.61 0.00 3.97 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 56 G 7.94 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 57 C 7.88 4.77 0.00 2.89 2.92 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 58 S 8.55 4.15 0.00 4.19 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 59 A 8.09 4.19 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 60 I 7.16 4.37 1.89 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 1.52 1.08 0.93 0.00 0.00 61 E 8.01 4.25 0.00 2.18 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 0.00 2.33 2.33 0.00 62 K 7.97 3.96 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 63 T 8.01 3.93 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 1.29 0.00 0.00 64 Q 8.23 4.03 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 65 R 7.81 3.96 0.00 1.98 2.00 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 66 M 8.62 4.24 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 67 L 8.58 4.29 0.00 1.95 1.87 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.14 4.25 0.00 4.09 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 0.00 69 G 7.66 3.49 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 0.00 70 F 8.02 4.39 0.00 2.94 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 0.00 0.00 0.00 0.00 71 C 7.39 4.92 0.00 2.96 2.92 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 72 P 0.00 3.88 0.00 2.26 2.19 0.00 3.79 0.00 0.00 3.86 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 73 H 7.05 5.02 0.00 3.07 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.55 4.06 0.00 1.75 1.77 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 75 V 8.30 4.43 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 0.88 0.00 0.00 0.96 0.00 0.00 76 S 8.23 4.69 0.00 4.04 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 77 A 8.39 4.12 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 78 G 8.72 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 0.00 0.00 0.00 79 Q 7.09 4.55 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 80 F 8.34 5.12 0.00 2.93 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 81 S 8.69 4.78 0.00 3.77 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 82 S 8.40 4.04 0.00 3.97 4.12 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 0.00 0.00 0.00 83 L 8.76 4.31 0.00 1.71 1.93 0.99 1.56 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 84 H 8.42 4.44 0.00 3.13 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.51 4.24 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 0.79 0.00 0.00 0.88 0.00 0.00 86 R 7.77 3.78 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 87 D 7.39 4.85 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 88 T 7.82 4.23 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 1.27 0.00 0.00 89 K 8.73 5.11 0.00 1.51 1.48 0.00 0.76 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.67 7.81 90 I 8.98 4.81 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.01 0.00 0.00 91 E 8.82 4.29 0.00 1.96 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 0.00 2.39 2.33 0.00 92 V 8.76 3.54 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 1.04 0.00 0.00 0.89 0.00 0.00 93 A 8.11 4.02 1.35 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 0.00 0.00 94 Q 8.05 3.88 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 95 F 8.31 3.94 0.00 3.15 3.25 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 96 V 8.55 3.74 2.24 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 1.11 0.00 0.00 1.15 0.00 0.00 97 K 8.22 3.97 0.00 2.09 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 98 D 8.31 4.30 0.00 2.63 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 99 L 8.02 3.78 0.00 1.51 1.76 0.86 0.69 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 0.00 100 L 8.01 3.90 0.00 1.91 1.85 0.89 0.52 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 0.00 101 L 7.79 3.97 0.00 1.73 1.68 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.08 4.10 0.00 3.19 3.40 0.00 5.78 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 0.00 103 L 8.16 3.94 0.00 1.99 1.69 0.82 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.43 3.96 0.00 1.89 1.85 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.52 7.81 105 K 8.01 3.93 0.00 1.83 1.90 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.47 7.81 106 L 7.73 3.92 0.00 1.92 1.72 0.68 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.46 4.01 0.00 3.18 3.20 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 0.00 108 R 8.34 4.09 0.00 2.02 2.03 0.00 3.25 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 0.00 109 E 8.25 4.18 0.00 2.14 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 2.34 2.43 0.00 110 G 7.73 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 0.00 0.00 0.00 111 R 7.78 4.21 0.00 1.79 1.80 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.