NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.2384 8.1245 120.4650 60.4732 36.9654 174.4059 6 K 4.4599 8.5490 132.1987 52.3531 34.1720 171.6705 7 I 5.1744 8.2454 125.4860 58.8317 39.7460 174.7510 8 R 4.9010 8.8052 122.7754 53.9744 33.4635 174.3740 9 K 4.1508 8.7119 121.0515 56.2997 32.8460 176.1690 10 A 4.7243 8.7233 129.1389 51.4894 20.1547 176.4641 11 T 4.5868 9.1764 112.4611 59.6922 72.1557 175.9876 12 K 4.0861 8.4939 121.7454 57.6979 31.6669 176.2407 13 E 4.3193 7.8104 115.6790 58.3896 29.5651 177.7172 14 D 4.7016 8.1370 118.6873 53.9624 41.0894 177.6660 15 W 4.1055 8.1740 132.8338 61.3379 30.6456 178.1715 16 E 4.0959 8.4378 117.4309 61.1616 29.2293 180.8359 17 K 4.1672 7.9911 119.1711 59.4181 32.0984 179.4468 18 I 3.4945 7.7381 120.1397 64.2044 36.9086 177.7780 19 Y 3.5435 7.5698 120.5809 60.6978 38.2712 178.3551 20 Q 3.8331 7.7954 117.9293 58.4692 29.0753 178.0985 21 L 4.1181 7.6639 121.4296 58.5358 42.3041 178.5608 22 Y 4.3168 8.2009 116.9079 61.4227 37.5809 178.6233 23 N 4.3453 7.9314 116.3346 55.5294 38.6324 176.7032 24 S 4.4949 7.7787 113.9156 58.3861 63.8864 174.4964 25 L 4.2422 6.9304 122.5457 54.0867 42.5102 177.0497 26 S 4.5444 8.6904 116.0123 57.8123 65.4646 175.1489 27 D 4.4076 8.4765 121.7709 57.2426 40.4760 178.7049 28 E 3.9489 8.0894 119.6244 59.3707 29.6733 178.3546 29 D 4.3555 8.1121 118.9232 57.5100 40.8754 178.9111 30 L 3.9876 7.9571 119.3376 57.6793 41.1868 178.8680 31 Y 4.0562 8.3141 119.7709 60.8067 38.6209 178.2504 32 L 3.9656 8.2109 119.9611 57.6203 41.4627 179.3519 33 R 3.7498 8.0866 118.1923 58.2870 30.2236 177.1808 34 F 4.9522 8.1084 117.1787 56.6600 40.0527 177.3842 35 F 4.0128 7.9457 124.7876 61.2785 38.9861 175.6524 36 H 3.7620 8.4035 116.7659 59.1744 29.3680 176.6606 37 L 3.7902 7.8549 120.3025 58.4942 42.3694 178.1513 38 Y 4.1307 7.9021 116.5496 60.9065 37.5092 178.8138 39 R 3.9019 7.5367 118.6312 58.9118 30.2853 178.3271 40 I 4.1161 7.3998 109.5959 61.2575 37.8631 175.9875 41 T 4.3481 7.1722 111.3015 62.3325 69.0846 174.5588 *42 E 4.1180 8.2670 123.4145 57.3000 31.2475 178.3604 *53 D 4.9809 7.7771 120.2281 53.2672 41.9668 174.4958 54 H 5.6104 7.8243 113.3208 53.9607 32.5165 172.2133 55 V 4.4601 8.9980 118.2297 60.1924 34.5731 174.5630 56 T 5.2148 8.2794 119.5058 61.7915 72.0032 172.7986 57 F 5.2667 9.5637 123.7923 55.6825 42.8395 174.2818 58 L 5.3575 9.2080 121.0092 52.9368 45.9421 175.1804 59 A 5.1016 8.9671 123.8818 50.3527 21.5246 175.3893 60 E 5.0353 9.3479 122.7132 54.4642 33.2539 175.4809 61 V 4.0893 8.3024 123.4288 63.6717 34.0516 176.4810 62 D 4.5617 9.9238 132.3427 55.1102 37.4137 175.6120 63 G 4.1326 9.1507 108.7810 45.5829 0.0000 171.8276 64 K 4.4159 7.9285 121.6433 53.8871 33.7294 175.5892 65 V 4.1554 8.2832 126.3239 63.0335 32.0734 175.6239 66 V 4.3111 8.6350 119.4088 60.9957 33.6504 175.3628 67 G 4.4682 7.5842 106.5199 45.1971 0.0000 172.0433 68 E 5.4166 9.3744 123.2575 54.3246 33.7808 173.9561 69 A 5.2309 9.3503 127.0926 50.5599 23.1934 175.0928 70 S 5.3252 9.3649 116.8803 56.6516 67.5626 172.7896 71 L 5.2062 9.2858 125.3502 53.8122 44.6641 175.2164 72 H 5.4835 9.3943 125.6954 54.6678 30.9185 177.0291 73 K 3.9688 8.6654 122.3098 57.5240 31.5631 178.6866 74 D 4.7483 8.2499 114.6001 53.7171 39.8225 177.2280 75 G 4.4888 8.5808 109.9392 46.5552 0.0000 173.2587 76 E 4.9625 8.3513 121.5814 56.2057 30.7408 175.5694 77 F 5.5887 8.6709 120.7065 55.8310 41.8190 173.0074 78 S 4.6784 8.7520 112.8371 57.8351 66.3262 172.3136 79 L 5.0383 8.1366 121.6757 55.6109 42.7404 173.9322 80 V 4.5125 8.5204 117.7710 60.5520 34.8795 173.1146 81 V 4.7967 8.1677 122.4774 60.9317 34.3441 174.6539 82 H 4.1429 9.4887 127.5860 56.3097 30.5117 175.6819 83 R 3.9069 8.7739 126.3124 59.8962 29.7957 177.7099 84 N 4.4855 8.4830 111.9611 54.9897 38.6732 174.9364 85 Y 4.5246 8.1381 115.4153 57.6074 37.1193 176.0184 86 R 4.2599 7.7060 120.7100 56.6865 30.9996 176.6136 87 T 3.5301 8.4841 106.7389 62.8948 66.9419 172.4330 88 L 4.4885 7.6996 118.0992 55.0769 42.7135 177.5173 89 G 4.0005 8.1487 107.9252 45.4480 0.0000 175.6417 90 I 3.7824 7.8596 121.2613 64.2625 37.2043 178.1202 91 G 3.6749 8.1019 106.0475 48.2217 0.0000 175.5405 92 T 3.8299 7.8056 117.6794 66.2809 68.5740 176.3048 93 L 3.9117 7.9576 122.1468 58.0903 42.0703 179.0415 94 L 3.8992 8.2517 119.4121 57.6865 41.5257 179.6615 95 V 3.3067 7.7656 118.1994 65.8122 31.4611 178.2324 96 K 3.8822 8.0628 118.2547 59.7194 31.8422 179.4702 97 T 3.6308 7.6907 116.0289 66.4333 68.1931 176.7949 98 L 3.9626 7.5898 120.9489 57.6120 41.5387 179.6063 99 I 3.6298 7.6902 119.9331 64.2103 37.0485 178.0214 100 E 3.8569 8.0675 120.1652 59.2026 29.4039 178.5020 101 E 3.9626 8.2073 119.0651 59.2479 29.6781 178.5023 102 A 4.1266 8.2811 122.5482 54.6257 18.4125 179.8198 103 K 3.9305 8.2535 116.9376 59.5826 31.9073 179.8318 104 K 4.0777 8.0282 118.0462 58.9924 32.0657 178.6164 105 S 4.5707 8.4257 112.7513 57.8062 63.0483 174.9896 106 G 3.8570 7.8223 110.1313 46.6003 0.0000 174.1847 107 L 4.2493 8.0143 119.5949 54.2731 42.3353 177.8835 108 S 4.6794 8.9371 116.2184 60.4038 64.0990 173.8623 109 T 4.9756 7.5567 109.0531 60.3831 71.7020 173.1078 110 V 5.2670 8.4336 115.9123 59.8868 35.3679 174.6359 111 K 4.9743 9.4932 122.4024 56.0802 36.5183 174.4691 112 F 4.9403 8.0019 114.9766 55.7279 41.6514 172.6551 113 Y 5.2376 8.3502 115.8676 57.1259 41.8078 174.6787 114 T 3.7878 8.4765 115.6366 61.5377 71.6746 171.7636 115 L 4.4860 7.6342 120.9813 52.9790 42.9031 176.8282 116 P 4.0947 0.0000 0.0000 65.6038 31.4265 177.6864 117 E 4.0543 7.9365 115.5638 57.9209 30.1600 176.9061 118 N 4.6361 7.7139 119.7893 52.2371 37.5660 174.2031 119 T 3.9911 7.8783 120.5654 66.5118 69.4240 175.6333 120 P 4.3289 0.0000 0.0000 63.7966 31.4220 177.8836 *122 I 4.2885 7.7909 121.6018 61.4648 39.3023 178.1652 123 K 3.9894 8.4092 119.9726 59.4350 31.7823 179.4052 124 I 3.7676 7.7272 120.0340 64.2608 37.0477 178.3990 125 G 3.7593 7.9959 105.9610 48.1476 0.0000 175.5333 126 R 4.0696 8.3534 121.4796 58.7215 29.9565 179.4589 127 K 4.1187 8.0637 116.9854 59.4527 32.6707 178.2996 128 L 4.3988 7.8193 118.1727 54.6363 41.9997 177.3076 129 G 4.0735 7.7728 106.4570 44.7604 0.0000 174.0757 130 F 4.3359 8.5131 121.6049 58.0511 39.8073 176.4487 131 K 4.2557 9.1038 127.2306 54.2666 34.3191 173.8486 *133 R 3.9217 8.2463 114.8925 57.7552 31.3063 175.4294 134 F 5.3306 8.1669 122.6235 56.4092 40.5615 174.7083 135 Y 4.9434 8.3464 119.7037 56.6424 42.2666 176.2664 136 E 3.9093 9.0002 120.8438 59.5756 29.6706 178.3591 137 D 4.6894 8.1157 116.4624 55.5166 41.8439 175.2554 138 E 5.1892 7.4449 115.7140 56.1134 33.5844 175.1463 139 V 5.2652 8.8509 112.7932 59.8652 36.1066 174.3230 140 Y 4.7622 9.1797 124.6878 55.6956 41.3233 174.7646 141 G 3.3908 6.9586 113.3115 44.4290 0.0000 171.8894 142 E 5.3014 8.4224 124.4023 55.7440 33.6219 173.7855 *144 R 4.3986 8.3921 118.7672 57.2103 30.1566 171.1921 145 L 4.4373 9.2099 124.4039 54.8807 43.6426 177.0893 146 T 4.1481 7.6983 113.0653 61.6122 69.0671 174.1746 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 5 I 8.12 4.24 1.87 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 1.20 1.21 0.91 0.00 0.00 6 K 8.55 4.46 0.00 1.43 1.69 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.36 7.81 7 I 8.25 5.17 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.95 0.00 0.00 8 R 8.81 4.90 0.00 1.89 2.01 0.00 2.78 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 9 K 8.71 4.15 0.00 1.67 1.66 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.51 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 0.98 7.81 10 A 8.72 4.72 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 11 T 9.18 4.59 4.24 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 1.20 0.00 0.00 12 K 8.49 4.09 0.00 1.70 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.04 7.81 13 E 7.81 4.32 0.00 1.97 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 2.36 2.29 0.00 14 D 8.14 4.70 0.00 2.86 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 15 W 8.17 4.11 0.00 3.58 3.26 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 0.00 16 E 8.44 4.10 0.00 2.01 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 2.31 1.97 0.00 17 K 7.99 4.17 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 I 7.74 3.49 1.53 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 1.26 0.70 0.13 0.00 0.00 19 Y 7.57 3.54 0.00 1.92 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 20 Q 7.80 3.83 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 21 L 7.66 4.12 0.00 1.77 1.84 1.02 1.06 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 22 Y 8.20 4.32 0.00 3.00 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 23 N 7.93 4.35 0.00 2.66 2.74 0.00 0.00 7.04 7.34 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 24 S 7.78 4.49 0.00 4.12 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 25 L 6.93 4.24 0.00 1.76 1.60 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.69 4.54 0.00 4.04 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 27 D 8.48 4.41 0.00 2.68 2.73 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 28 E 8.09 3.95 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 2.40 2.43 0.00 29 D 8.11 4.36 0.00 2.87 2.66 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 0.00 0.00 0.00 30 L 7.96 3.99 0.00 1.82 1.88 0.95 0.46 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 31 Y 8.31 4.06 0.00 2.95 3.13 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 0.00 0.00 0.00 0.00 32 L 8.21 3.97 0.00 1.85 1.62 0.90 0.54 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 33 R 8.09 3.75 0.00 1.55 1.79 0.00 2.89 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 34 F 8.11 4.95 0.00 3.32 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 35 F 7.95 4.01 0.00 3.01 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 36 H 8.40 3.76 0.00 3.18 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.85 3.79 0.00 1.67 1.79 0.82 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.90 4.13 0.00 3.20 3.08 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 39 R 7.54 3.90 0.00 1.60 1.69 0.00 3.09 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.56 0.00 40 I 7.40 4.12 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.39 0.63 0.00 0.00 41 T 7.17 4.35 4.18 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 1.12 0.00 0.00 *42 E 8.27 4.12 0.00 1.76 1.81 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 2.13 2.37 0.00 *53 D 7.78 4.98 0.00 2.39 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 5.61 0.00 3.37 3.28 0.00 5.44 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 55 V 9.00 4.46 2.08 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 1.13 0.00 0.00 0.64 0.00 0.00 56 T 8.28 5.21 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 1.25 0.00 0.00 57 F 9.56 5.27 0.00 2.91 2.91 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 58 L 9.21 5.36 0.00 1.55 1.52 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.97 5.10 1.18 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 0.00 0.00 60 E 9.35 5.04 0.00 1.83 1.79 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 2.17 2.19 0.00 61 V 8.30 4.09 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 1.03 0.00 0.00 0.78 0.00 0.00 62 D 9.92 4.56 0.00 2.89 2.46 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 0.00 63 G 9.15 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.93 4.42 0.00 1.83 1.68 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.33 7.81 65 V 8.28 4.16 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 0.87 0.00 0.00 0.89 0.00 0.00 66 V 8.63 4.31 1.48 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 -0.23 0.00 0.00 0.65 0.00 0.00 67 G 7.58 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 68 E 9.37 5.42 0.00 2.02 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 2.27 2.46 0.00 69 A 9.35 5.23 1.28 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 0.00 0.00 70 S 9.36 5.33 0.00 3.88 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 71 L 9.29 5.21 0.00 1.86 1.65 1.11 1.05 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 72 H 9.39 5.48 0.00 3.47 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.67 3.97 0.00 1.80 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.26 7.81 74 D 8.25 4.75 0.00 2.88 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 75 G 8.58 4.49 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 76 E 8.35 4.96 0.00 2.30 2.15 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 2.36 2.40 0.00 77 F 8.67 5.59 0.00 3.20 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 78 S 8.75 4.68 0.00 3.89 3.64 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 79 L 8.14 5.04 0.00 1.79 1.65 0.90 0.59 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 80 V 8.52 4.51 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 0.58 0.00 0.00 0.88 0.00 0.00 81 V 8.17 4.80 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 0.94 0.00 0.00 0.94 0.00 0.00 82 H 9.49 4.14 0.00 3.24 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.77 3.91 0.00 1.83 1.95 0.00 3.21 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 84 N 8.48 4.49 0.00 2.57 2.52 0.00 0.00 6.73 7.46 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 85 Y 8.14 4.52 0.00 3.08 2.97 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 86 R 7.71 4.26 0.00 1.92 1.85 0.00 3.25 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 87 T 8.48 3.53 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 1.20 0.00 0.00 88 L 7.70 4.49 0.00 1.70 1.74 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.15 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 90 I 7.86 3.78 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 0.91 0.00 0.00 91 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.83 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 1.19 0.00 0.00 93 L 7.96 3.91 0.00 1.88 1.68 0.89 0.38 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 94 L 8.25 3.90 0.00 1.82 1.68 0.93 0.69 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 95 V 7.77 3.31 2.08 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 0.74 0.00 0.00 0.88 0.00 0.00 96 K 8.06 3.88 0.00 1.92 1.76 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.60 7.81 97 T 7.69 3.63 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 0.01 0.00 0.00 98 L 7.59 3.96 0.00 1.48 1.52 0.85 0.97 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 99 I 7.69 3.63 1.93 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 1.36 0.60 0.84 0.00 0.00 100 E 8.07 3.86 0.00 2.08 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 2.24 2.32 0.00 101 E 8.21 3.96 0.00 2.35 2.21 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 2.62 2.51 0.00 102 A 8.28 4.13 1.43 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 0.00 0.00 103 K 8.25 3.93 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.61 7.81 104 K 8.03 4.08 0.00 1.93 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.69 7.81 105 S 8.43 4.57 0.00 4.09 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 0.00 106 G 7.82 3.86 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 0.00 0.00 0.00 107 L 8.01 4.25 0.00 1.69 1.67 1.02 1.22 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 0.00 108 S 8.94 4.68 0.00 4.02 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 0.00 109 T 7.56 4.98 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 1.24 0.00 0.00 110 V 8.43 5.27 2.50 0.00 0.00 0.00 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 1.02 0.00 0.00 111 K 9.49 4.97 0.00 1.55 1.85 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.23 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.49 7.81 112 F 8.00 4.94 0.00 2.42 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 5.24 0.00 3.03 3.19 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 0.00 114 T 8.48 3.79 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 0.00 115 L 7.63 4.49 0.00 1.44 1.65 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.09 0.00 1.97 1.96 0.00 3.67 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 2.28 2.18 0.00 117 E 7.94 4.05 0.00 1.90 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 2.29 2.32 0.00 118 N 7.71 4.64 0.00 2.61 2.76 0.00 0.00 7.15 7.32 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 0.00 119 T 7.88 3.99 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 1.19 0.00 0.00 120 P 0.00 4.33 0.00 2.13 2.04 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 *122 I 7.79 4.29 1.92 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 1.60 0.87 1.15 0.00 0.00 123 K 8.41 3.99 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 124 I 7.73 3.77 1.71 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 1.41 0.69 0.82 0.00 0.00 125 G 8.00 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 0.00 0.00 0.00 126 R 8.35 4.07 0.00 1.93 2.06 0.00 3.32 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 127 K 8.06 4.12 0.00 1.94 1.97 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.69 1.50 7.81 128 L 7.82 4.40 0.00 2.01 1.90 0.96 1.06 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 0.00 129 G 7.77 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 0.00 130 F 8.51 4.34 0.00 3.16 3.08 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 0.00 131 K 9.10 4.26 0.00 1.39 1.71 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.29 7.81 *133 R 8.25 3.92 0.00 2.05 2.10 0.00 3.29 0.00 0.00 3.42 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 134 F 8.17 5.33 0.00 2.91 2.71 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 0.00 135 Y 8.35 4.94 0.00 3.32 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 0.00 136 E 9.00 3.91 0.00 2.05 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 2.38 2.32 0.00 137 D 8.12 4.69 0.00 2.76 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 0.00 138 E 7.44 5.19 0.00 2.30 2.44 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 2.23 2.46 0.00 139 V 8.85 5.27 2.41 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 0.98 0.00 0.00 1.06 0.00 0.00 140 Y 9.18 4.76 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 0.00 141 G 6.96 3.39 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 0.00 142 E 8.42 5.30 0.00 1.30 1.56 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 2.18 2.11 0.00 *144 R 8.39 4.40 0.00 1.66 1.76 0.00 3.30 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 145 L 9.21 4.44 0.00 1.59 1.71 0.92 0.91 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 0.00 146 T 7.70 4.15 4.24 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.