NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0752 8.2644 123.5828 52.0346 19.3690 178.3997 *6 N 4.5183 8.3967 111.8208 54.7398 39.7955 172.6334 7 L 5.2217 8.2851 123.7679 52.6045 44.3988 175.6928 8 K 4.6380 9.0385 122.8725 54.7812 34.3755 175.3524 9 R 5.0482 8.6288 123.6998 54.5192 32.6788 175.8032 10 E 4.5010 8.8422 123.4444 54.6884 31.6206 175.9109 11 Q 4.0621 8.5280 122.3138 55.9774 29.4726 175.5885 12 E 4.4370 8.7457 123.6252 56.7401 30.7084 175.9788 13 F 4.9318 9.3650 123.9269 56.5929 42.9105 173.4253 14 V 4.2109 7.9670 126.2606 62.2591 31.5206 175.4989 15 S 4.1552 8.6755 125.0637 60.9461 63.7215 175.0648 16 Q 4.5190 7.6551 120.0327 54.9855 32.6753 172.4332 17 Y 5.0773 8.7976 126.7316 56.5214 42.1290 173.0429 18 H 5.2610 9.2127 124.5507 53.8600 32.2089 172.6303 19 F 5.1518 8.9183 125.0273 56.6077 41.2048 174.3536 20 D 4.8892 8.5677 125.0501 52.0763 44.7388 174.9857 21 A 4.4532 8.7142 125.2127 51.9234 19.1764 177.3856 22 R 3.6722 8.5270 121.2922 56.1191 31.1520 177.1723 23 N 4.5906 8.2350 121.2049 52.1556 39.6163 175.3399 24 F 4.3615 8.3646 127.6386 59.7674 38.7713 177.2223 25 E 3.9759 8.3578 119.0301 59.0581 29.6277 178.2405 26 W 4.1571 9.3126 128.7351 60.8079 30.7665 177.8089 27 E 4.1880 8.7511 118.3442 59.2078 28.6181 178.7177 28 N 4.3656 8.1071 116.7893 56.6899 39.0125 176.5194 29 E 3.9862 7.5537 117.8180 58.8374 29.7726 178.1102 30 N 4.3919 7.5761 113.0933 51.6247 39.7814 176.1767 31 G 3.9232 7.6633 106.1399 45.1635 0.0000 173.2412 32 A 4.4899 8.0737 122.9306 50.6187 19.3282 176.1467 33 P 4.5361 0.0000 0.0000 62.6020 32.2230 175.2852 34 E 4.6817 8.2036 119.4646 54.1467 32.0750 175.8394 35 T 3.9854 8.2529 121.6614 63.6160 69.1407 173.9416 36 K 4.5448 8.3304 125.9594 54.9776 35.3638 174.4328 37 V 4.7626 8.1985 124.9750 61.3289 34.4528 173.8055 38 D 4.8009 9.3206 126.3343 52.6212 45.2236 173.7052 39 V 4.6844 8.3528 123.9914 61.2322 33.6418 174.1839 40 N 5.0426 8.8044 124.0637 51.3471 43.0905 173.1578 41 F 5.3945 8.5532 117.5028 55.8674 42.9455 174.2216 42 Q 4.6882 8.9950 124.2469 54.0471 31.2104 174.6591 43 L 4.3601 8.7129 126.8066 55.1562 41.9175 176.4868 44 L 4.5889 8.5719 122.9119 56.1585 44.0311 176.8857 45 Q 4.5062 7.5290 115.8602 55.4385 32.4908 172.4864 46 H 5.1459 8.8753 122.8387 54.2840 31.0020 173.6810 47 D 4.5990 9.0040 125.3504 52.9350 40.9769 177.1026 48 Q 4.0033 8.7445 125.4324 59.0470 29.2378 178.0411 49 E 4.0968 8.4281 115.7042 59.4961 29.4196 177.9463 50 N 4.4862 8.5529 112.7159 52.6430 39.9564 174.4569 51 Q 3.4563 8.0741 119.3372 57.1067 27.5147 172.6642 52 V 4.8933 7.2086 118.0765 61.4355 35.6187 174.4380 53 T 4.9474 8.6959 122.8001 60.6697 69.3839 173.0268 54 S 5.3601 8.9483 125.6771 57.1553 65.0577 173.3317 55 L 5.0743 8.9125 123.6741 54.7587 44.7713 174.3231 56 I 4.7711 9.0223 120.3726 59.7002 39.3709 175.1911 57 V 4.3752 8.8111 127.8324 61.8006 33.2098 174.5617 58 I 4.7996 8.6398 128.7770 59.4589 40.4136 174.0611 59 L 5.0905 9.3600 130.7049 53.4423 43.7358 175.1205 60 S 5.2119 9.0465 121.8009 56.8825 66.3050 173.4625 61 F 5.6179 7.6587 115.3241 56.1436 41.6460 172.2671 *63 I 4.1627 8.2239 118.1795 61.6380 38.5014 175.2025 64 V 4.1743 8.2887 127.7312 61.0985 32.3783 175.0496 65 F 4.5157 8.1929 126.0637 55.1184 41.5944 175.3505 66 D 4.6034 8.9104 120.7145 57.3820 40.5430 178.2076 67 K 4.7888 8.0059 115.2071 56.1653 33.9332 174.9517 68 F 5.2434 7.1308 113.0228 55.7463 41.5468 172.9641 69 V 4.8366 8.6674 118.6194 61.1636 34.7934 173.8944 70 I 5.0210 8.7545 128.5747 59.7349 38.8846 175.1915 71 S 4.7341 9.2148 120.8277 56.5696 67.0507 174.9905 72 G 3.3081 6.0148 106.3484 46.0234 0.0000 170.9422 73 T 5.0914 7.7177 115.8499 62.2181 73.3320 173.3907 74 I 5.3538 9.2339 126.4445 59.7005 41.3999 174.6163 75 S 5.2410 9.4743 119.7101 57.3269 67.3532 172.5757 76 Q 4.8098 8.9734 120.9707 54.7813 32.8204 173.5152 77 V 4.2544 8.5890 126.9114 63.0004 32.8407 174.2083 78 N 5.4307 9.2737 125.1779 51.7183 42.4687 172.9941 79 H 5.2181 9.3390 119.8648 54.1752 31.8052 173.2791 80 I 4.5296 8.9416 125.8238 60.1817 38.2851 174.5024 81 D 4.7318 8.9212 129.2080 54.6533 41.6127 176.2150 82 G 4.1959 9.7711 115.2242 45.2150 0.0000 172.8681 83 R 4.4831 7.5727 118.1323 54.7248 33.0150 174.0969 84 I 4.1220 8.3048 126.0441 59.9062 37.7289 175.5361 85 V 4.1433 8.1076 126.4641 61.0004 31.5046 175.0308 86 N 4.3994 8.7512 125.7840 55.5734 38.7769 175.5399 87 E 4.5173 7.8161 119.2680 53.6144 31.9369 173.7100 88 P 4.0338 0.0000 0.0000 65.4832 31.5198 178.5255 89 S 4.3320 8.2479 110.9650 60.2387 62.9304 174.5938 90 E 4.2435 8.1053 120.1146 57.0065 29.6571 176.7403 91 L 4.2724 7.5267 120.3318 54.2417 42.3638 177.2680 92 N 4.7646 9.4909 121.5760 51.9184 40.1202 176.3868 93 Q 4.0016 8.4624 118.6136 59.1398 28.6140 178.7617 94 E 3.9483 8.1952 119.8481 59.2335 29.7041 178.5341 95 E 3.9578 9.0397 119.1587 59.3896 29.4969 179.5339 96 V 3.7980 8.2013 118.6857 65.9007 31.3967 177.7187 97 E 3.9422 8.2150 118.1300 59.6070 29.8943 178.3869 98 T 4.0606 8.0953 115.8791 66.9060 68.3392 176.4529 99 L 4.0845 8.1776 119.4404 57.5770 41.9584 178.7596 100 A 4.3371 8.2182 118.8158 52.6910 18.6776 179.0580 101 R 3.8583 7.6797 117.8935 59.1137 29.9439 176.5780 102 P 4.2755 0.0000 0.0000 65.8349 31.4108 178.0540 103 C 4.3458 8.0160 114.0153 62.8469 28.3644 175.6505 104 L 4.2737 8.3550 120.9521 57.6764 41.1002 180.0602 105 N 4.6318 8.3850 114.7944 53.4899 38.3686 176.8039 *107 L 4.0690 7.8936 123.8817 55.2288 44.1296 178.4948 108 N 4.2390 8.2938 116.0463 56.3567 38.4570 177.4413 109 R 3.9299 8.1750 120.1799 59.1283 30.1178 178.4808 110 L 3.7796 7.6404 118.3926 58.0496 41.6034 179.4692 111 T 4.6003 7.8723 117.0379 66.1871 68.3616 176.1858 112 Y 4.2666 8.0796 122.8240 60.2919 38.8843 178.0856 113 E 3.8973 8.1789 119.3318 59.3627 29.6037 179.5545 114 V 3.4697 8.1086 118.9826 66.0898 31.6330 178.2097 115 T 3.6218 7.9204 109.6585 64.5074 68.4335 176.0604 116 E 4.5020 7.7104 123.4558 58.5067 29.3698 179.0378 117 I 3.5593 7.2876 118.1198 64.3972 37.3587 177.5391 118 A 3.8350 7.9155 121.5745 54.4203 18.1979 178.2819 119 L 4.2134 7.5723 113.5102 54.0782 42.5973 175.8301 120 D 4.3776 7.6095 117.0033 54.9233 40.1334 172.6694 121 L 4.7867 7.1846 115.2050 51.7867 46.2007 174.3092 122 P 4.4680 0.0000 0.0000 62.8362 31.6959 176.8136 123 G 2.7868 7.9753 111.4332 45.6229 0.0000 172.9191 124 I 3.9708 8.3571 123.7676 60.2639 37.7611 174.7817 125 N 5.0477 8.6835 124.5863 51.7891 38.8634 174.4130 126 L 3.8419 8.4405 126.9852 55.8314 41.8033 177.5205 127 E 3.8406 8.0007 115.6986 57.1759 27.6341 174.5173 128 F 4.7608 7.9514 122.2582 58.0744 38.8915 175.5167 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 4 A 8.26 4.08 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 *6 N 8.40 4.52 0.00 2.82 3.00 0.00 0.00 6.81 6.66 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 7 L 8.29 5.22 0.00 1.57 1.58 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 K 9.04 4.64 0.00 1.79 1.78 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.45 7.81 9 R 8.63 5.05 0.00 1.69 1.84 0.00 3.22 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 10 E 8.84 4.50 0.00 1.85 1.92 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 2.37 2.44 0.00 11 Q 8.53 4.06 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 12 E 8.75 4.44 0.00 2.08 2.00 0.00 0.00 0.00 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 2.29 0.00 13 F 9.37 4.93 0.00 3.05 3.06 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 0.00 0.00 0.00 0.00 14 V 7.97 4.21 1.89 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 0.88 0.00 0.00 0.88 0.00 0.00 15 S 8.68 4.16 0.00 3.95 3.91 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 16 Q 7.66 4.52 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 17 Y 8.80 5.08 0.00 3.22 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 18 H 9.21 5.26 0.00 3.02 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.92 5.15 0.00 3.04 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 20 D 8.57 4.89 0.00 2.41 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 21 A 8.71 4.45 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 22 R 8.53 3.67 0.00 1.13 1.05 0.00 3.15 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 23 N 8.24 4.59 0.00 2.61 2.64 0.00 0.00 7.18 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 24 F 8.36 4.36 0.00 3.20 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 25 E 8.36 3.98 0.00 2.16 2.23 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 2.44 2.50 0.00 26 W 9.31 4.16 0.00 3.47 3.34 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 27 E 8.75 4.19 0.00 2.24 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 2.66 2.73 0.00 28 N 8.11 4.37 0.00 2.84 3.05 0.00 0.00 7.25 7.17 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 29 E 7.55 3.99 0.00 1.87 1.70 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 2.26 2.38 0.00 30 N 7.58 4.39 0.00 1.44 1.73 0.00 0.00 7.37 7.03 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 31 G 7.66 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 0.00 0.00 0.00 32 A 8.07 4.49 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 33 P 0.00 4.54 0.00 2.17 2.08 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 34 E 8.20 4.68 0.00 1.91 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 2.15 2.27 0.00 35 T 8.25 3.99 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 1.21 0.00 0.00 36 K 8.33 4.54 0.00 1.72 1.58 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 37 V 8.20 4.76 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 0.80 0.00 0.00 1.01 0.00 0.00 38 D 9.32 4.80 0.00 2.71 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.68 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 0.44 0.00 0.00 0.88 0.00 0.00 40 N 8.80 5.04 0.00 2.52 2.59 0.00 0.00 6.34 8.07 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 41 F 8.55 5.39 0.00 2.91 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 42 Q 9.00 4.69 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 43 L 8.71 4.36 0.00 1.57 1.52 0.97 1.02 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 44 L 8.57 4.59 0.00 1.60 1.68 0.92 0.70 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 45 Q 7.53 4.51 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 46 H 8.88 5.15 0.00 3.05 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.00 4.60 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 48 Q 8.74 4.00 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 49 E 8.43 4.10 0.00 2.06 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 2.32 2.35 0.00 50 N 8.55 4.49 0.00 2.96 2.85 0.00 0.00 7.05 8.10 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 51 Q 8.07 3.46 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 52 V 7.21 4.89 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 1.07 0.00 0.00 0.99 0.00 0.00 53 T 8.70 4.95 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 1.28 0.00 0.00 54 S 8.95 5.36 0.00 3.83 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 55 L 8.91 5.07 0.00 1.94 1.74 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.02 4.77 1.90 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 1.12 0.68 0.94 0.00 0.00 57 V 8.81 4.38 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 0.95 0.00 0.00 1.16 0.00 0.00 58 I 8.64 4.80 1.79 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 1.12 0.55 0.90 0.00 0.00 59 L 9.36 5.09 0.00 1.76 1.84 1.05 0.74 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 60 S 9.05 5.21 0.00 3.76 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 61 F 7.66 5.62 0.00 3.27 3.29 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 *63 I 8.22 4.16 2.06 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.71 0.00 0.00 64 V 8.29 4.17 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 0.76 0.00 0.00 0.87 0.00 0.00 65 F 8.19 4.52 0.00 1.72 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 66 D 8.91 4.60 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.01 4.79 0.00 2.08 2.03 0.00 1.93 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.58 1.48 7.81 68 F 7.13 5.24 0.00 2.38 2.86 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 0.00 0.00 0.00 69 V 8.67 4.84 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 0.99 0.00 0.00 0.81 0.00 0.00 70 I 8.75 5.02 2.14 0.00 0.00 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 1.73 1.38 0.99 0.00 0.00 71 S 9.21 4.73 0.00 3.67 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 72 G 6.01 3.31 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 0.00 0.00 0.00 0.00 73 T 7.72 5.09 4.17 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 1.22 0.00 0.00 74 I 9.23 5.35 2.08 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 1.44 1.23 1.05 0.00 0.00 75 S 9.47 5.24 0.00 3.97 3.99 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 76 Q 8.97 4.81 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 77 V 8.59 4.25 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 1.00 0.00 0.00 0.91 0.00 0.00 78 N 9.27 5.43 0.00 2.66 2.66 0.00 0.00 6.40 8.68 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 79 H 9.34 5.22 0.00 3.01 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.94 4.53 1.87 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 1.10 0.72 0.90 0.00 0.00 81 D 8.92 4.73 0.00 2.65 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 82 G 9.77 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 83 R 7.57 4.48 0.00 1.72 1.74 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 84 I 8.30 4.12 1.83 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 1.28 0.96 0.75 0.00 0.00 85 V 8.11 4.14 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 0.73 0.00 0.00 0.87 0.00 0.00 86 N 8.75 4.40 0.00 2.73 2.85 0.00 0.00 6.84 7.66 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 87 E 7.82 4.52 0.00 1.98 1.75 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 2.26 2.36 0.00 88 P 0.00 4.03 0.00 2.29 1.87 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 89 S 8.25 4.33 0.00 4.00 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 90 E 8.11 4.24 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 91 L 7.53 4.27 0.00 1.57 1.49 0.22 0.93 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 92 N 9.49 4.76 0.00 2.94 2.96 0.00 0.00 6.85 7.77 0.00 0.00 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 8.46 4.00 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 94 E 8.20 3.95 0.00 2.04 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 0.00 2.39 2.41 0.00 95 E 9.04 3.96 0.00 2.15 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 2.32 2.45 0.00 96 V 8.20 3.80 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 1.14 0.00 0.00 1.17 0.00 0.00 97 E 8.22 3.94 0.00 2.02 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 2.35 2.38 0.00 98 T 8.10 4.06 4.40 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 1.24 0.00 0.00 99 L 8.18 4.08 0.00 2.03 1.99 0.87 0.84 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 0.00 100 A 8.22 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.86 0.00 2.14 2.12 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 102 P 0.00 4.28 0.00 2.23 2.26 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 103 C 8.02 4.35 0.00 3.15 3.06 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 0.00 0.00 0.00 0.00 104 L 8.36 4.27 0.00 1.88 1.82 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.39 4.63 0.00 2.88 2.82 0.00 0.00 6.61 6.41 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 *107 L 7.89 4.07 0.00 1.53 1.83 -0.02 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.29 4.24 0.00 2.88 2.79 0.00 0.00 6.72 7.75 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 0.00 109 R 8.18 3.93 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 110 L 7.64 3.78 0.00 1.25 0.61 0.48 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.87 4.60 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 112 Y 8.08 4.27 0.00 3.17 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 0.00 113 E 8.18 3.90 0.00 2.02 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 2.59 2.47 0.00 114 V 8.11 3.47 2.27 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 0.89 0.00 0.00 0.95 0.00 0.00 115 T 7.92 3.62 4.01 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 1.08 0.00 0.00 116 E 7.71 4.50 0.00 1.75 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 0.00 2.17 2.25 0.00 117 I 7.29 3.56 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.79 0.00 0.00 118 A 7.92 3.84 0.61 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 0.00 0.00 119 L 7.57 4.21 0.00 1.63 1.65 0.74 0.72 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 0.00 120 D 7.61 4.38 0.00 2.66 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 0.00 121 L 7.18 4.79 0.00 1.61 1.43 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.47 0.00 2.01 2.03 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 123 G 7.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.36 3.97 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 1.07 0.00 0.00 125 N 8.68 5.05 0.00 2.81 2.82 0.00 0.00 7.23 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 0.00 126 L 8.44 3.84 0.00 1.35 0.23 0.62 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.00 3.84 0.00 2.20 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 2.33 2.48 0.00 128 F 7.95 4.76 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.