NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4254 8.3349 115.4119 58.4446 64.5579 174.2670 7 I 3.9317 7.7819 123.1226 58.6757 35.3850 173.6742 8 A 4.0309 8.5973 125.3778 52.1272 20.0884 177.8159 9 I 3.9000 8.2492 123.9422 61.5392 38.0472 175.1600 10 D 4.6984 8.7381 123.6700 55.5751 42.1995 176.3571 11 S 4.7449 7.5582 109.7186 57.4014 65.7168 172.5543 12 Y 4.7960 8.2479 121.4785 56.1974 41.5593 173.6874 13 Q 4.2663 7.9774 127.4971 54.2524 31.1885 174.6673 14 E 3.9666 8.3834 124.7803 58.7086 30.2688 177.0877 15 D 4.3588 7.7248 116.8558 53.4716 41.3545 174.4555 16 P 4.2092 0.0000 0.0000 63.3050 31.1970 174.5639 17 S 4.4926 8.3319 116.0584 58.5514 65.2152 174.1519 18 V 4.1678 7.3505 121.7280 58.9405 33.2267 175.8908 19 V 4.1038 7.7961 120.3112 60.7202 32.7082 175.1270 20 V 3.6332 8.2701 127.7818 62.5499 31.8974 175.0309 21 S 4.3529 8.3483 121.5134 56.1985 64.1646 172.8446 22 N 4.5763 8.1133 125.8093 51.9247 38.1603 173.3143 23 F 4.5448 7.5970 123.9547 57.1925 39.9110 176.8346 24 F 4.8505 7.1681 116.9415 55.9245 40.6872 174.1813 25 K 3.9998 8.7863 121.3609 57.7311 32.3679 177.6017 26 G 3.6522 8.7364 113.4017 46.0733 0.0000 173.4890 27 V 3.2272 7.0888 116.5302 62.3516 32.5612 175.7339 28 R 4.2798 8.1378 124.4749 54.2627 30.2426 174.7214 29 V 4.0854 7.7892 121.7992 60.0234 32.2254 173.7850 30 P 4.6122 0.0000 0.0000 61.8201 31.4206 176.8263 31 K 4.1847 8.5206 117.6091 59.8864 32.9274 178.8733 32 D 4.3536 8.0400 117.7543 56.5632 41.3065 175.5984 33 T 3.9095 7.2436 113.8938 61.7850 66.7486 173.1963 34 E 4.5427 8.5635 129.4933 55.2300 30.4278 176.0948 35 F 4.7652 8.9033 122.7166 56.0629 40.7623 175.2714 36 Q 4.4295 8.5526 122.0250 54.0228 31.3938 174.9400 37 L 4.4751 8.0426 124.3433 53.9451 43.6297 175.9383 38 Y 4.5541 7.9751 120.5530 55.9195 39.5703 174.4637 39 K 4.1003 8.4028 125.8973 55.6896 33.0649 176.5390 40 K 4.1726 8.4766 127.4770 56.0580 32.8738 176.2164 41 R 4.1626 8.4606 125.4417 55.4944 30.5882 176.2490 42 K 4.2112 8.3063 124.2345 54.6166 33.4814 175.1554 43 Q 4.0277 8.6382 128.3302 55.9466 28.8238 175.7125 44 D 4.4452 8.4512 125.3778 54.4397 41.4955 176.2757 45 Q 4.3794 7.9191 119.3765 55.4697 29.9006 175.1330 46 F 5.0982 8.2828 116.8779 56.0482 43.3294 174.4454 47 V 4.7530 8.4492 118.8986 61.3638 34.7705 173.9796 48 L 4.8869 9.2486 128.8125 53.5437 45.5650 174.7129 49 H 4.8845 8.9117 124.5553 54.6163 32.4539 172.1908 50 G 4.1975 9.4291 114.9434 45.0429 0.0000 171.3259 51 E 5.3930 8.6221 124.5719 55.2610 33.1413 173.9365 52 N 4.8052 8.0016 120.5412 52.7153 39.8945 174.3075 53 E 4.3840 8.7572 118.2478 57.1855 29.6098 176.7448 54 R 4.4309 8.2410 117.8710 57.2418 32.1455 175.0547 55 L 4.9070 8.8960 116.1359 52.8347 46.6045 174.8709 56 E 4.8044 9.3874 123.0637 54.7503 32.4843 174.5111 57 Y 5.3168 9.1937 123.8128 55.3825 40.5236 173.6488 58 D 5.5142 8.4185 123.9631 52.6822 44.0317 175.7039 59 G 4.4690 8.5929 107.3406 46.2995 0.0000 171.4971 60 E 5.2244 8.6045 121.1306 54.4498 33.8693 173.9234 61 T 4.7202 8.2689 115.5850 61.0605 72.2794 174.7628 62 D 4.4272 8.7827 124.2782 53.8058 41.3532 176.1982 63 E 3.9023 8.8157 128.1747 59.6748 29.3574 178.1531 64 L 4.1140 7.9583 119.3402 58.4562 42.1551 178.9425 65 T 4.0786 8.2247 115.8336 66.7302 68.1397 176.3932 66 T 4.2922 7.7007 114.4589 63.8387 67.9929 175.4403 67 K 4.5903 7.8561 120.0359 56.6500 35.3409 177.5165 68 T 4.3086 7.7087 113.6010 64.7915 69.2364 174.5300 69 N 4.9222 7.9831 116.9559 51.2114 41.6199 174.3544 70 Q 4.5195 8.4428 120.7770 55.3728 30.7372 174.3257 71 Y 4.8373 8.3839 116.5840 56.8201 41.0032 174.5053 72 M 5.4845 8.5966 120.6550 53.8491 36.9843 174.4149 73 V 4.5706 8.8400 118.9868 61.3920 35.0802 174.4961 74 G 4.6373 8.6910 112.4749 44.7901 0.0000 171.4128 75 L 4.9707 8.6398 121.8498 52.8329 44.2717 174.8586 76 Y 5.5329 8.5377 124.1578 54.7830 41.5880 174.1094 77 D 4.3601 8.3401 126.5159 52.9105 41.6437 176.7215 78 K 3.4323 8.1899 127.0716 59.5723 32.2392 179.1285 79 Q 4.0941 7.7234 117.1213 57.6981 28.5702 177.7876 80 S 4.5465 7.9354 113.4549 59.2988 64.9561 175.7175 81 G 4.0151 8.8537 108.9954 45.6448 0.0000 172.7873 82 K 4.8444 7.8175 116.0769 54.1788 37.0988 176.2138 83 I 4.8353 8.2735 121.4557 59.7077 40.5838 175.2210 84 N 4.7356 9.1979 129.0852 52.2868 37.8364 174.1319 85 L 4.7478 8.0005 122.3225 54.6131 43.4279 176.0047 86 Y 4.6388 9.1800 120.1407 56.2475 42.0905 174.5445 87 R 4.4800 8.9101 125.7231 56.3823 30.7548 175.4720 88 A 4.8415 8.5459 127.4443 49.5103 22.0649 173.8429 89 P 4.4132 0.0000 0.0000 61.8244 32.7644 175.8895 90 V 3.8155 7.9020 119.5826 61.4110 31.6156 175.1859 91 V 4.4091 8.0293 128.4589 61.3304 32.6981 175.5606 92 T 4.2400 8.1936 119.2742 61.5388 68.4196 174.3037 93 S 5.1039 8.5316 122.8446 56.9213 66.4320 173.0934 94 K 4.7061 9.2724 120.3558 54.8229 36.4644 174.9331 95 I 4.5859 8.1772 120.8761 59.9414 39.6942 175.6773 96 V 4.5757 8.6600 118.6352 60.5676 37.0704 174.0953 97 S 4.7650 8.1501 115.0362 57.8043 64.9932 175.0262 98 K 4.1373 8.6450 123.7067 56.4536 32.0042 176.7656 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 6 S 8.33 4.43 0.00 3.99 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 7 I 7.78 3.93 1.86 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 0.21 0.91 0.00 0.00 8 A 8.60 4.03 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 9 I 8.25 3.90 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.56 0.93 0.00 0.00 10 D 8.74 4.70 0.00 2.63 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 11 S 7.56 4.74 0.00 3.98 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 12 Y 8.25 4.80 0.00 2.83 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 13 Q 7.98 4.27 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.33 0.00 14 E 8.38 3.97 0.00 1.87 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 2.36 2.44 0.00 15 D 7.72 4.36 0.00 2.59 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 16 P 0.00 4.21 0.00 2.00 1.99 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 17 S 8.33 4.49 0.00 3.88 3.81 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 18 V 7.35 4.17 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 0.69 0.00 0.00 0.88 0.00 0.00 19 V 7.80 4.10 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 0.78 0.00 0.00 0.88 0.00 0.00 20 V 8.27 3.63 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 0.75 0.00 0.00 0.89 0.00 0.00 21 S 8.35 4.35 0.00 3.55 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.11 4.58 0.00 2.57 2.60 0.00 0.00 7.07 7.02 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 23 F 7.60 4.54 0.00 2.70 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 24 F 7.17 4.85 0.00 3.10 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 25 K 8.79 4.00 0.00 1.88 1.89 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 26 G 8.74 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 0.00 0.00 0.00 27 V 7.09 3.23 1.74 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 -0.11 0.00 0.00 0.75 0.00 0.00 28 R 8.14 4.28 0.00 1.80 1.83 0.00 3.24 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 29 V 7.79 4.09 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 0.97 0.00 0.00 0.65 0.00 0.00 30 P 0.00 4.61 0.00 2.09 2.00 0.00 3.73 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 2.02 2.06 0.00 31 K 8.52 4.18 0.00 1.92 2.07 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.37 7.81 32 D 8.04 4.35 0.00 2.64 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 33 T 7.24 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 34 E 8.56 4.54 0.00 2.00 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 2.30 2.37 0.00 35 F 8.90 4.77 0.00 2.93 2.99 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 0.00 0.00 0.00 36 Q 8.55 4.43 0.00 2.07 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 37 L 8.04 4.48 0.00 1.51 1.41 0.92 0.83 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 38 Y 7.98 4.55 0.00 2.96 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 39 K 8.40 4.10 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 40 K 8.48 4.17 0.00 1.78 1.71 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 R 8.46 4.16 0.00 1.86 1.88 0.00 3.26 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 K 8.31 4.21 0.00 1.66 1.67 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 43 Q 8.64 4.03 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 44 D 8.45 4.45 0.00 2.39 2.35 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 45 Q 7.92 4.38 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 46 F 8.28 5.10 0.00 2.85 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 47 V 8.45 4.75 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 0.81 0.00 0.00 0.97 0.00 0.00 48 L 9.25 4.89 0.00 1.76 1.46 0.92 0.63 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 49 H 8.91 4.88 0.00 3.15 3.19 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.43 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 51 E 8.62 5.39 0.00 1.98 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 2.23 2.34 0.00 52 N 8.00 4.81 0.00 2.93 2.82 0.00 0.00 6.98 7.54 0.00 0.00 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 E 8.76 4.38 0.00 1.99 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 2.32 2.30 0.00 54 R 8.24 4.43 0.00 1.73 2.00 0.00 3.20 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 55 L 8.90 4.91 0.00 1.44 0.95 0.95 0.64 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 56 E 9.39 4.80 0.00 1.87 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 2.12 2.23 0.00 57 Y 9.19 5.32 0.00 2.84 2.80 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 0.00 0.00 0.00 58 D 8.42 5.51 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.59 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 60 E 8.60 5.22 0.00 2.04 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 2.28 2.33 0.00 61 T 8.27 4.72 4.36 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 1.34 0.00 0.00 62 D 8.78 4.43 0.00 2.81 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 63 E 8.82 3.90 0.00 2.01 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 2.32 2.55 0.00 64 L 7.96 4.11 0.00 1.81 1.83 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.22 4.08 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 T 7.70 4.29 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 1.46 0.00 0.00 67 K 7.86 4.59 0.00 1.85 1.79 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.46 7.81 68 T 7.71 4.31 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 1.21 0.00 0.00 69 N 7.98 4.92 0.00 2.55 2.41 0.00 0.00 7.14 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 70 Q 8.44 4.52 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 71 Y 8.38 4.84 0.00 3.02 2.87 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 0.00 0.00 0.00 72 M 8.60 5.48 0.00 1.88 1.95 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 2.52 2.55 0.00 73 V 8.84 4.57 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 1.02 0.00 0.00 0.94 0.00 0.00 74 G 8.69 4.64 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 0.00 0.00 0.00 75 L 8.64 4.97 0.00 1.70 1.63 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.54 5.53 0.00 2.87 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 77 D 8.34 4.36 0.00 2.59 2.35 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 78 K 8.19 3.43 0.00 1.66 1.82 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.46 7.81 79 Q 7.72 4.09 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 80 S 7.94 4.55 0.00 3.96 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 81 G 8.85 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 82 K 7.82 4.84 0.00 1.65 1.69 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.34 7.81 83 I 8.27 4.84 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.94 0.00 0.00 84 N 9.20 4.74 0.00 2.86 2.86 0.00 0.00 6.63 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 85 L 8.00 4.75 0.00 1.47 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 9.18 4.64 0.00 2.76 2.78 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 87 R 8.91 4.48 0.00 1.87 1.90 0.00 3.24 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 88 A 8.55 4.84 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 89 P 0.00 4.41 0.00 1.91 1.76 0.00 3.47 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 90 V 7.90 3.82 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.17 0.00 0.00 91 V 8.03 4.41 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 0.95 0.00 0.00 0.91 0.00 0.00 92 T 8.19 4.24 4.23 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 1.18 0.00 0.00 93 S 8.53 5.10 0.00 3.81 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 94 K 9.27 4.71 0.00 1.61 1.67 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 95 I 8.18 4.59 1.78 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.45 0.00 0.00 96 V 8.66 4.58 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 0.74 0.00 0.00 0.86 0.00 0.00 97 S 8.15 4.76 0.00 3.89 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 98 K 8.65 4.14 0.00 1.76 1.75 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81