NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 4.7307 8.3249 122.8330 57.4160 40.6210 173.9896 -1 Q 3.8265 7.2717 120.5922 55.7967 30.1516 174.7610 0 G 3.5188 8.9802 109.1775 45.7620 0.0000 174.5182 0 K 3.8788 8.9402 120.7775 56.8620 33.9652 176.2183 3 I 3.4453 8.0091 125.1585 60.2795 38.3771 173.9674 4 P 4.5739 0.0000 0.0000 62.6958 32.4390 175.6338 5 K 4.4778 8.9050 122.1855 55.0888 34.0525 175.4380 6 I 4.9719 8.2699 125.7828 59.7165 39.9287 174.1062 7 Y 5.1647 9.1694 124.3273 56.1699 41.1826 174.8827 8 V 4.8318 8.6973 123.2960 60.5756 34.8578 174.7080 9 E 4.5879 8.2882 124.9371 57.1678 30.3526 178.2571 10 G 3.9970 9.2514 109.2486 46.1140 0.0000 173.7998 11 E 4.0669 7.5837 122.5241 55.6301 28.5316 178.4246 12 L 2.4400 7.1493 118.8234 54.1815 40.8567 177.4776 13 N 5.0362 7.7634 125.2113 51.5880 40.0686 174.9821 14 D 4.7460 8.7306 117.8521 53.5051 40.0273 172.3901 15 G 4.0772 8.6038 109.7728 45.5183 0.0000 173.3750 16 D 4.7084 8.4692 118.2595 54.5345 42.0926 176.2151 17 R 5.3207 8.3645 119.6552 54.3413 34.3972 174.9197 18 V 4.4452 8.3323 120.1701 59.6945 34.7643 174.0510 19 A 4.6067 8.2213 125.5471 50.1451 21.4904 175.6005 20 I 4.4215 8.4387 123.5505 59.7459 39.6185 174.8835 21 E 4.8411 8.8004 129.0306 54.0775 33.6009 176.5205 22 K 3.9017 9.0902 120.9587 59.6070 29.3953 172.7374 23 D 4.4383 8.8610 114.7082 53.9950 36.9063 174.3833 24 G 4.1373 7.9640 110.8013 46.0512 0.0000 172.8156 25 N 4.5337 7.9409 114.0146 53.6867 39.0358 174.5858 26 A 4.6579 7.9348 120.8845 50.0113 22.2412 175.1667 27 I 4.4941 8.3601 122.8088 59.4908 40.2889 175.2883 28 I 4.2808 8.0580 128.6719 59.1211 39.5076 175.0490 29 F 4.3082 8.6865 126.7501 57.2166 37.9481 175.1999 30 L 4.9559 8.8392 123.8634 52.8786 44.7007 175.5989 31 E 4.7694 8.6338 119.0630 54.1217 31.8031 176.7717 32 K 3.3949 8.1308 116.9990 59.3057 34.2658 175.7531 *35 E 4.1714 7.4983 119.4453 54.6424 30.4896 174.8646 36 Y 4.7547 8.2813 126.3080 56.2221 40.9142 176.1790 37 S 4.4734 7.8626 122.2472 57.5168 64.0887 171.5171 38 G 3.4537 5.4630 111.1698 45.9319 0.0000 173.7921 39 N 4.7389 8.5058 115.0330 52.6012 37.6416 175.7844 40 G 4.0470 8.4717 109.6435 44.7583 0.0000 172.3419 41 K 4.5921 8.2686 120.2910 54.4857 35.2726 176.5173 42 L 4.4855 8.4450 127.1432 54.0702 43.3922 175.4780 43 L 4.8846 8.5958 123.2414 53.1698 44.7999 175.0125 44 Y 5.0848 8.9477 121.1755 55.9763 40.7053 175.0752 45 Q 4.1587 9.1245 125.4240 56.3557 29.6222 175.7204 46 V 4.6144 8.1059 118.8564 59.1018 35.0485 175.7369 47 I 3.8543 8.2540 123.2490 61.1561 37.5714 175.8102 48 Y 4.1602 8.5604 126.1180 58.0027 39.0346 174.4615 49 D 4.4202 7.8178 124.6212 52.9038 44.0855 173.9502 50 D 4.5098 8.4894 120.5651 54.7172 41.3159 178.2433 51 L 3.6221 7.7257 124.0865 57.3871 42.2670 178.6497 52 A 3.8746 7.5592 120.5300 54.3219 18.3419 178.0653 53 K 3.9637 7.2362 112.8123 58.0280 33.3716 176.6940 54 Y 4.5312 7.6640 119.4204 57.6068 38.3709 176.9378 *56 S 4.4444 7.6187 115.6448 58.3628 65.5308 177.6343 57 L 3.6722 9.1155 131.0527 55.8117 40.2052 176.0577 58 D 4.9076 9.2085 127.9500 53.8288 41.3723 177.1315 59 T 5.1350 7.5776 115.5338 62.2598 71.0092 174.4338 60 L 4.2188 8.7630 126.4701 55.3065 42.1817 178.1118 61 K 4.2888 9.0530 122.4921 57.4485 33.0653 176.9388 62 K 4.8930 7.7810 117.0267 54.0889 36.6374 175.9639 63 D 4.5709 8.9466 122.8251 54.7233 41.7620 175.8270 64 V 4.9665 8.8027 123.0910 60.9038 35.5295 173.7163 65 L 5.3199 9.0143 127.9704 53.3457 45.2993 174.9071 66 I 4.9584 8.9289 126.7453 59.5424 40.2508 174.0194 67 Q 4.7908 9.1626 128.9365 54.6392 30.9933 173.7922 68 Y 4.6826 8.9611 125.4515 56.0478 38.5499 174.9286 69 P 4.2246 0.0000 0.0000 65.9820 32.0818 179.3825 70 D 4.3715 8.3334 116.0626 56.4555 39.4107 180.0395 71 K 4.2846 7.6389 114.5957 56.4346 32.1823 176.7721 72 H 4.2018 7.7374 114.9645 56.9284 27.1346 174.3719 73 T 5.0564 7.8782 113.4827 61.7550 72.3890 173.0367 74 L 5.5735 8.7001 123.6217 54.5205 44.2499 175.3778 75 T 4.8215 9.1819 114.0210 60.6158 71.0772 171.6464 76 Y 5.0699 8.8311 129.1059 55.9692 40.9799 174.8663 77 L 4.3107 8.7066 127.7732 52.1414 43.4324 175.9859 78 K 4.1237 7.6595 124.8869 55.5398 33.6375 175.8567 79 A 4.1117 9.1380 128.4206 53.8964 18.7195 178.4200 80 G 3.9778 8.7195 110.2846 45.2092 0.0000 174.2376 81 T 3.9646 7.6785 117.8439 63.5890 69.3485 173.2861 82 K 4.8559 8.6179 127.7277 55.1989 33.5364 175.3847 83 L 5.0948 8.7989 126.7769 52.9012 45.1269 175.8268 84 I 4.5328 8.3161 113.8262 59.3320 39.8195 174.3509 85 S 4.8981 8.4728 118.4529 57.1670 64.7899 174.2295 86 V 4.3921 8.7623 125.0236 60.0831 32.6827 172.4794 87 P 4.8751 0.0000 0.0000 62.4127 32.6958 176.2254 88 A 4.7652 9.6337 124.3466 50.3156 20.7154 174.4188 89 E 5.0814 8.4725 119.2135 55.2860 33.2226 175.8692 90 G 3.9601 8.3706 110.9403 45.3180 0.0000 172.3064 91 Y 4.3243 9.0344 120.0195 60.2609 39.1420 176.9097 92 K 4.5800 8.5185 117.1418 54.4662 36.7764 175.6358 93 V 4.7724 8.1830 122.9648 61.4784 34.3551 174.7454 94 Y 4.7537 9.3646 126.4798 55.6365 38.8773 173.4389 95 P 5.2182 0.0000 0.0000 61.2690 32.9912 178.3610 96 I 4.3359 8.7100 117.5970 60.6520 39.3563 175.1988 *98 D 4.3896 8.6244 121.6422 53.5868 40.3261 174.1617 99 F 3.8220 7.9399 113.2729 56.7660 40.2919 173.1599 100 G 2.4802 10.1392 106.5641 44.6337 0.0000 172.9539 101 F 4.8413 6.5756 110.8459 55.4540 41.3550 174.0507 102 R 4.7894 8.6700 120.9030 56.3137 30.9708 175.8220 103 V 4.5077 8.7323 117.9960 59.5250 35.9162 175.3987 104 L 4.6278 8.2973 122.5139 53.0622 43.0530 176.2929 105 K 4.0011 8.1735 121.9207 58.4617 32.3447 177.2780 106 G 3.9936 8.9821 114.7666 44.9314 0.0000 173.0476 107 Y 4.0527 7.6955 122.6281 57.4229 39.9054 174.9906 108 R 4.5027 7.8319 127.3698 56.1567 30.2289 175.6209 109 L 4.4064 9.1234 126.6898 56.0200 43.7128 176.3207 110 A 5.1232 7.6820 117.8389 51.2088 22.9375 175.0656 111 T 5.0324 9.0662 116.9943 61.9857 71.0542 173.7589 112 L 5.2128 9.0322 126.5925 53.1361 44.5845 175.1016 113 E 5.2912 9.3223 123.9198 54.3361 32.8816 175.8883 114 S 4.7904 9.0818 122.1986 57.1786 64.1147 175.2019 115 K 2.5885 7.9886 119.3187 58.6168 32.0452 177.7849 116 K 4.0947 7.7496 117.6878 56.4117 32.5194 177.4211 117 G 3.9432 8.2237 107.4985 45.4421 0.0000 173.2823 118 D 4.6411 7.8083 118.9965 53.4682 41.9050 175.2332 119 L 5.1698 8.0631 121.4926 53.3983 44.3639 175.9225 120 R 4.4791 8.2045 119.0445 54.8332 35.0610 173.6366 121 Y 5.1299 8.3019 117.7775 56.2794 41.6779 175.3033 122 V 4.2505 8.9967 124.0727 61.7529 32.6139 174.4261 123 N 5.3941 8.4889 125.1089 51.0307 42.2271 174.2514 124 S 4.5255 8.9565 116.9123 58.2102 62.6973 173.5696 125 P 4.4527 0.0000 0.0000 64.8314 31.6856 176.1427 126 V 4.5845 7.2768 110.0167 59.3267 35.7649 174.6413 127 S 4.5971 8.4888 116.9998 57.4408 63.9291 175.0789 128 G 4.1716 7.3531 109.9578 46.3769 0.0000 170.3346 129 T 4.8701 8.1589 117.0206 61.6767 71.0392 174.6058 130 V 4.0443 8.5079 127.4961 62.5028 31.6040 175.9345 131 I 4.6851 8.3932 121.9882 61.0972 39.3907 174.7220 132 F 3.6775 7.7359 123.4840 57.3378 42.8122 171.8208 *134 N 4.7865 8.4456 115.7551 52.2435 38.8790 173.3760 135 E 4.0060 8.7043 120.4917 56.1219 30.7735 176.4749 136 I 3.8465 8.5593 128.0325 60.5871 37.5562 175.0371 137 P 4.1554 0.0000 0.0000 65.5370 31.1869 177.2619 138 S 4.5692 7.9212 109.7555 58.2195 63.7053 174.2004 139 E 4.4206 7.8518 121.7343 53.4133 29.5069 174.4767 140 R 3.9990 8.2060 122.3340 57.5594 30.5907 175.9524 141 A 3.6657 9.2101 125.9950 52.4972 16.9541 176.5907 142 N 5.0925 7.2639 114.7331 53.1885 42.6071 173.4766 143 Y 5.2457 8.7611 118.5429 56.1819 42.8599 174.6883 144 V 4.4746 8.4534 120.3709 60.1348 34.1774 174.8395 145 F 4.7769 9.1130 123.7557 56.1970 41.2418 174.7299 146 Y 5.5673 8.8572 119.9923 55.4175 41.7542 174.7086 *148 L 4.4248 8.1412 119.1829 54.6782 43.2930 176.0195 149 E 4.4889 8.9448 125.8052 55.6050 30.6432 176.2301 150 E 4.2881 8.2551 122.4552 56.4383 29.8420 175.6167 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 -2 F 8.32 4.73 0.00 2.94 3.12 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 -1 Q 7.27 3.83 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 0 G 8.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 K 8.94 3.88 0.00 1.56 1.35 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.30 7.81 3 I 8.01 3.45 1.61 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.09 0.77 0.00 0.00 4 P 0.00 4.57 0.00 2.25 1.92 0.00 3.12 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.12 0.00 5 K 8.91 4.48 0.00 1.84 1.54 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.27 7.81 6 I 8.27 4.97 1.87 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 1.46 0.93 0.77 0.00 0.00 7 Y 9.17 5.16 0.00 2.81 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 8 V 8.70 4.83 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 0.82 0.00 0.00 -0.08 0.00 0.00 9 E 8.29 4.59 0.00 2.16 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 2.51 2.14 0.00 10 G 9.25 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 0.00 0.00 0.00 11 E 7.58 4.07 0.00 2.02 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 2.62 2.43 0.00 12 L 7.15 2.44 0.00 1.66 1.55 0.92 0.95 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 13 N 7.76 5.04 0.00 2.74 2.76 0.00 0.00 6.11 8.06 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 14 D 8.73 4.75 0.00 2.71 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 15 G 8.60 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.47 4.71 0.00 2.75 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 17 R 8.36 5.32 0.00 1.61 1.39 0.00 2.88 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.71 0.00 18 V 8.33 4.45 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 0.00 0.00 0.17 0.00 0.00 -0.18 0.00 0.00 19 A 8.22 4.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.42 1.58 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.47 0.28 0.00 0.00 21 E 8.80 4.84 0.00 1.84 1.83 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 2.35 2.20 0.00 22 K 9.09 3.90 0.00 1.76 1.76 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 0.98 7.81 23 D 8.86 4.44 0.00 2.76 2.64 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 24 G 7.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.53 0.00 2.83 2.85 0.00 0.00 6.73 7.72 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 26 A 7.93 4.66 1.15 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 0.00 0.00 27 I 8.36 4.49 1.71 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 0.99 0.52 0.37 0.00 0.00 28 I 8.06 4.28 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.90 0.00 0.00 29 F 8.69 4.31 0.00 2.91 2.95 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 30 L 8.84 4.96 0.00 1.53 1.54 0.57 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.63 4.77 0.00 2.06 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 2.19 2.27 0.00 32 K 8.13 3.39 0.00 1.99 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.44 7.81 *35 E 7.50 4.17 0.00 2.04 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 2.13 1.88 0.00 36 Y 8.28 4.75 0.00 2.80 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 37 S 7.86 4.47 0.00 3.61 3.63 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 38 G 5.46 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.51 4.74 0.00 2.83 2.88 0.00 0.00 5.87 7.00 0.00 0.00 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 8.47 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 0.00 0.00 0.00 41 K 8.27 4.59 0.00 1.80 1.58 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.40 7.81 42 L 8.45 4.49 0.00 1.45 0.79 0.94 -0.06 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 43 L 8.60 4.88 0.00 1.42 1.58 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.95 5.08 0.00 2.99 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 45 Q 9.12 4.16 0.00 1.71 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 46 V 8.11 4.61 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 0.77 0.00 0.00 0.94 0.00 0.00 47 I 8.25 3.85 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.97 0.00 0.00 48 Y 8.56 4.16 0.00 2.93 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 49 D 7.82 4.42 0.00 2.61 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.49 4.51 0.00 2.66 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 51 L 7.73 3.62 0.00 0.27 0.73 0.59 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.56 3.87 1.21 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 0.00 0.00 53 K 7.24 3.96 0.00 1.72 1.64 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 Y 7.66 4.53 0.00 2.98 2.77 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 0.00 0.00 0.00 0.00 *56 S 7.62 4.44 0.00 3.68 3.82 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 57 L 9.12 3.67 0.00 1.77 1.28 0.93 1.03 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 58 D 9.21 4.91 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 5.13 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 1.23 0.00 0.00 60 L 8.76 4.22 0.00 1.56 1.69 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.05 4.29 0.00 1.63 1.86 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.46 7.81 62 K 7.78 4.89 0.00 1.59 1.63 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.48 7.81 63 D 8.95 4.57 0.00 2.68 2.77 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 0.00 0.00 0.00 0.00 64 V 8.80 4.97 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 0.87 0.00 0.00 0.73 0.00 0.00 65 L 9.01 5.32 0.00 1.81 1.47 0.72 1.13 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 66 I 8.93 4.96 1.77 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 1.14 0.65 0.55 0.00 0.00 67 Q 9.16 4.79 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 68 Y 8.96 4.68 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.12 2.03 0.00 3.59 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 2.05 2.03 0.00 70 D 8.33 4.37 0.00 2.69 2.61 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 71 K 7.64 4.28 0.00 1.99 1.93 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.35 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.51 7.81 72 H 7.74 4.20 0.00 3.25 3.37 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.88 5.06 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 1.37 0.00 0.00 74 L 8.70 5.57 0.00 1.86 1.75 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 T 9.18 4.82 4.52 0.00 0.00 0.00 0.00 0.00 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 76 Y 8.83 5.07 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.31 0.00 1.44 1.40 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.66 4.12 0.00 1.73 1.54 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.51 1.02 7.81 79 A 9.14 4.11 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 80 G 8.72 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 81 T 7.68 3.96 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 1.17 0.00 0.00 82 K 8.62 4.86 0.00 2.02 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 83 L 8.80 5.09 0.00 1.63 1.67 0.82 1.12 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 84 I 8.32 4.53 1.91 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 1.47 0.81 0.99 0.00 0.00 85 S 8.47 4.90 0.00 3.77 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 86 V 8.76 4.39 2.14 0.00 0.00 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 0.95 0.00 0.00 87 P 0.00 4.88 0.00 2.26 2.03 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 88 A 9.63 4.77 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.47 5.08 0.00 1.83 1.83 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 2.19 2.29 0.00 90 G 8.37 3.96 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 0.00 0.00 0.00 91 Y 9.03 4.32 0.00 2.98 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 92 K 8.52 4.58 0.00 1.88 1.37 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.09 7.81 93 V 8.18 4.77 2.42 0.00 0.00 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 0.98 0.00 0.00 94 Y 9.36 4.75 0.00 2.99 2.90 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 95 P 0.00 5.22 0.00 2.01 1.91 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 96 I 8.71 4.34 2.10 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.02 1.09 0.00 0.00 *98 D 8.62 4.39 0.00 2.90 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 99 F 7.94 3.82 0.00 2.88 2.95 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 0.00 100 G 10.14 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.58 4.84 0.00 2.94 3.02 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 0.00 102 R 8.67 4.79 0.00 1.88 1.89 0.00 3.20 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 103 V 8.73 4.51 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 0.32 0.00 0.00 0.95 0.00 0.00 104 L 8.30 4.63 0.00 1.74 1.60 0.94 0.63 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 0.00 105 K 8.17 4.00 0.00 1.75 1.75 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 106 G 8.98 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 0.00 0.00 0.00 107 Y 7.70 4.05 0.00 3.20 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 0.00 108 R 7.83 4.50 0.00 1.60 1.49 0.00 2.95 0.00 0.00 2.73 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 109 L 9.12 4.41 0.00 1.22 0.15 0.63 0.50 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 0.00 110 A 7.68 5.12 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 0.00 111 T 9.07 5.03 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 0.00 112 L 9.03 5.21 0.00 1.52 1.60 0.99 0.68 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 0.00 113 E 9.32 5.29 0.00 2.21 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 0.00 2.34 2.29 0.00 114 S 9.08 4.79 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 2.59 0.00 1.25 0.77 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.15 1.24 7.81 116 K 7.75 4.09 0.00 1.72 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.28 7.81 117 G 8.22 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 0.00 0.00 0.00 118 D 7.81 4.64 0.00 2.68 2.55 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 0.00 119 L 8.06 5.17 0.00 1.32 1.18 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.20 4.48 0.00 1.61 1.65 0.00 3.03 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 121 Y 8.30 5.13 0.00 2.84 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 0.00 122 V 9.00 4.25 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 0.96 0.00 0.00 0.99 0.00 0.00 123 N 8.49 5.39 0.00 2.68 2.60 0.00 0.00 6.71 7.57 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 0.00 124 S 8.96 4.53 0.00 4.06 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 0.00 125 P 0.00 4.45 0.00 2.24 2.18 0.00 3.78 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 2.00 2.00 0.00 126 V 7.28 4.58 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 127 S 8.49 4.60 0.00 3.90 3.79 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 0.00 128 G 7.35 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 0.00 0.00 0.00 0.00 129 T 8.16 4.87 4.28 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 1.27 0.00 0.00 130 V 8.51 4.04 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 131 I 8.39 4.69 2.16 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 1.33 1.85 1.03 0.00 0.00 132 F 7.74 3.68 0.00 3.17 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 *134 N 8.45 4.79 0.00 2.97 3.08 0.00 0.00 5.60 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 0.00 135 E 8.70 4.01 0.00 1.96 1.80 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 2.00 1.69 0.00 136 I 8.56 3.85 1.75 0.00 0.00 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 1.24 0.58 0.86 0.00 0.00 137 P 0.00 4.16 0.00 2.00 2.12 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 138 S 7.92 4.57 0.00 3.81 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 0.00 139 E 7.85 4.42 0.00 1.89 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 2.15 2.14 0.00 140 R 8.21 4.00 0.00 1.69 1.76 0.00 3.33 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 141 A 9.21 3.67 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 0.00 142 N 7.26 5.09 0.00 2.64 2.58 0.00 0.00 6.80 6.77 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 0.00 143 Y 8.76 5.25 0.00 2.85 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 0.00 144 V 8.45 4.47 1.97 0.00 0.00 0.00 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 0.44 0.00 0.00 145 F 9.11 4.78 0.00 2.94 2.95 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 0.00 146 Y 8.86 5.57 0.00 2.97 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 *148 L 8.14 4.42 0.00 1.67 1.69 0.97 0.76 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 0.00 149 E 8.94 4.49 0.00 2.01 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 2.31 2.33 0.00 150 E 8.26 4.29 0.00 2.16 1.91 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 2.44 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.