NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2756 8.3144 121.7997 56.0651 33.3349 174.8328 5 W 4.7519 8.6857 135.0000 55.7379 32.7509 170.1248 6 V 3.6447 7.3089 113.7931 62.4841 34.7611 176.1963 *8 S 4.4428 7.8907 113.6317 58.2095 63.6910 173.8893 9 T 3.7531 8.6739 122.3272 63.7923 68.8812 173.1984 10 K 4.6476 8.1818 126.8029 55.2199 34.3220 174.4972 11 Y 5.4367 8.5499 122.7036 56.7580 42.2765 174.5479 12 V 4.6548 8.4703 112.2987 60.1239 37.1098 174.3705 13 E 4.5200 9.3343 122.1784 55.8289 30.4267 178.0905 14 A 4.0196 8.8821 126.3116 55.5256 18.4880 180.1569 15 G 3.7847 8.2707 103.3897 47.6994 0.0000 174.1422 16 E 4.3058 8.1811 118.7410 57.2028 30.1500 176.9783 17 L 4.2225 7.4874 118.7492 54.7436 42.2937 176.1581 18 K 4.6851 8.6945 119.7748 54.3155 36.4627 175.8004 19 E 4.1595 8.5571 119.8321 58.3928 29.5921 177.8303 20 G 3.9327 8.8847 112.6824 45.2061 0.0000 173.9357 21 S 4.5154 8.1141 116.0401 58.6921 64.3395 172.6422 22 Y 5.0444 8.4557 118.3335 56.4852 40.3485 175.5127 23 V 4.7000 8.9278 121.9931 61.5398 36.0036 173.3831 24 V 4.8332 8.5808 125.3425 61.2809 33.0352 175.1473 25 I 4.3993 8.4681 128.5106 60.5935 39.7185 175.5354 26 D 4.3772 9.9089 127.1782 55.4478 38.1693 174.8748 27 G 3.9114 8.2561 104.3206 45.3220 0.0000 172.4511 28 E 4.7995 7.8673 122.0526 53.3945 32.0741 173.1825 29 P 4.9868 0.0000 0.0000 63.1782 32.7443 175.0704 30 C 5.3696 9.8368 121.5218 57.9494 33.0559 172.6011 31 R 4.1065 8.6078 121.8059 54.4957 31.6064 175.5760 32 V 4.0363 8.5196 127.5570 63.2613 31.9446 176.5544 33 V 4.3126 8.5919 121.1939 61.9622 33.5997 175.8657 34 E 4.8101 7.6628 116.0833 55.3500 32.4802 174.4532 35 I 5.1120 8.2774 121.7159 59.6768 41.2508 174.1014 36 E 4.7599 9.2417 126.9694 54.2950 32.6844 174.5906 37 K 5.2733 8.5982 124.7034 55.0302 35.3560 175.1307 38 S 4.6046 8.6869 116.2689 57.8123 67.1722 173.5807 39 K 4.5917 8.3468 121.5346 56.5404 32.5803 174.7038 40 T 4.1862 8.6283 118.7436 62.9205 70.0856 175.8199 41 G 3.7688 7.8660 112.1702 44.3390 0.0000 173.7269 42 K 3.7251 8.8928 126.8027 59.5218 32.0670 176.9367 43 H 4.8900 8.0624 112.0576 55.3496 29.6307 173.7932 44 G 4.0003 7.7737 110.4455 44.2166 0.0000 173.8820 45 S 4.4764 8.2177 113.0798 57.1441 64.3875 173.8803 46 A 4.4088 8.2998 123.6424 52.0779 19.7340 176.4717 47 K 5.0590 9.1907 118.9746 54.4864 36.1893 175.1274 48 A 5.1774 9.1567 123.8709 50.1392 22.4393 175.1564 49 R 4.8159 9.2653 122.5782 54.7752 32.4689 174.4294 50 I 4.7970 9.0001 128.2999 59.7081 39.6613 174.9994 51 V 4.8228 8.8004 126.2336 61.1500 34.2200 174.2567 52 A 5.1432 9.1502 128.3253 50.6935 23.6610 174.6522 53 V 4.7543 8.5862 111.7704 59.1524 35.4863 176.1950 54 G 3.8626 9.0533 113.4280 46.4864 0.0000 174.7627 55 V 3.6048 9.0232 126.1683 65.5303 31.9456 176.9794 56 F 4.1708 8.4508 117.2499 59.1444 39.3661 176.5610 57 D 4.6641 8.5305 116.3197 52.6820 39.9181 176.6972 58 G 3.9387 8.0211 107.4691 46.3825 0.0000 173.7491 59 G 3.9758 8.8946 107.4035 44.9753 0.0000 173.6809 60 K 4.7779 8.5399 124.7747 56.1945 33.0276 176.2092 61 R 4.9713 9.2010 125.5242 54.7074 34.6952 174.1790 62 T 5.2252 8.3787 110.0935 60.2177 72.5595 173.0891 63 L 4.5703 8.8853 124.5684 54.1165 45.7986 174.3980 64 S 5.3958 8.5352 122.6045 56.7986 65.3223 173.2448 65 L 4.4657 8.5696 123.5084 54.1853 44.2675 172.7401 66 P 4.7425 0.0000 0.0000 62.6307 31.9131 178.4521 67 V 3.7173 8.6949 115.0557 63.8530 31.5894 177.5309 68 D 5.2266 8.2219 116.2779 52.1923 39.9423 175.9183 69 A 4.4208 7.7030 122.8991 51.6832 19.9874 177.5072 70 Q 4.7032 8.5856 120.1618 55.9732 30.0404 175.8860 71 V 4.5986 8.8882 122.2473 60.9401 35.2967 174.1889 72 E 4.2069 8.8690 128.2275 55.9961 30.9568 175.0903 73 V 4.7498 8.1013 126.8496 60.1545 33.5407 173.7080 74 P 4.3270 0.0000 0.0000 62.6475 32.0067 175.6440 75 I 4.0180 8.0165 121.3363 60.3768 37.7550 175.1660 76 I 4.3560 8.0066 126.5517 59.4314 38.9695 174.5659 77 E 4.4371 8.7185 129.2259 54.6151 31.1559 174.6020 78 K 5.2628 8.5022 126.4464 54.8661 34.5247 175.3324 79 F 5.0232 8.9109 118.3600 56.4762 41.9977 172.6513 80 T 5.1586 8.7325 114.9454 61.9696 70.5483 174.1111 81 A 4.9062 8.7841 125.5892 50.4079 23.4412 174.3512 82 Q 5.0147 8.4919 119.9490 54.1990 31.9793 174.6940 83 I 4.0654 8.8110 128.0399 61.7184 37.6227 176.5804 84 L 4.4174 9.0910 128.0962 56.8176 42.7264 177.0801 85 S 4.6781 7.5780 110.5158 57.3573 66.3355 173.8358 86 V 4.7888 8.2681 120.4155 61.4688 32.6864 174.6367 87 S 4.8509 8.8083 122.7640 56.1042 65.5392 174.7553 88 G 3.6372 8.5564 107.8127 47.5302 0.0000 174.0091 89 D 4.8567 7.6826 118.0895 54.0914 43.4831 175.8230 90 V 4.7544 8.2125 118.5680 61.1229 35.5871 173.9539 91 I 4.7775 8.8775 128.0686 59.6747 39.5397 174.2539 92 Q 4.5723 8.9211 129.4211 54.7873 30.1429 173.1520 93 L 5.3559 8.8139 128.5170 53.6933 46.1855 174.0304 *95 D 4.5425 8.3628 122.2885 55.3894 42.2885 175.3460 *97 R 4.0712 8.5765 115.3490 55.9260 31.6123 176.0914 98 D 4.4653 7.3040 111.6223 52.1851 40.3412 175.5586 99 Y 3.8287 8.0628 116.5946 58.5527 36.0051 169.7831 100 K 4.3137 8.2068 119.1138 56.8319 33.6001 176.1964 101 T 4.7661 8.1835 116.7046 62.6821 69.8277 174.3970 102 I 4.5934 8.7688 126.4273 59.4453 41.1780 174.0666 103 E 5.0697 8.7536 124.8889 54.5933 31.7329 175.3896 104 V 4.5731 8.6344 124.6828 59.5733 34.1770 173.9286 105 P 5.2093 0.0000 0.0000 61.4161 30.4649 178.9155 *107 K 4.2184 8.5615 113.9587 56.4701 34.3685 175.7677 108 Y 5.0255 7.9320 117.9379 58.1548 38.3861 174.9596 109 V 4.6772 7.6981 119.2835 60.5566 33.7920 174.7374 110 E 3.8622 8.7393 126.8324 57.1270 30.0014 177.7393 111 E 3.9288 9.1770 123.4334 59.8469 29.3469 179.6257 112 E 3.9568 8.1493 114.8158 58.6971 29.9221 177.9960 113 A 4.3134 8.0896 121.5208 53.5517 18.9232 179.1257 114 K 3.9577 7.7783 117.5656 59.6554 31.8676 179.4062 115 G 3.6423 8.0868 106.4232 47.5911 0.0000 174.1900 116 R 4.5186 7.7031 117.4146 55.6619 30.5780 175.6467 117 L 4.1109 7.5324 119.0232 54.6306 41.9330 176.5248 118 A 4.6372 8.2342 125.3669 49.7004 22.1130 173.3958 119 P 4.5781 0.0000 0.0000 64.5965 31.5838 176.2128 120 G 3.9843 9.2051 110.5779 45.2110 0.0000 173.8499 121 A 4.2849 7.8693 121.2408 51.9577 19.6242 176.5037 122 E 5.0532 8.6518 118.9930 55.2021 32.2527 175.6263 123 V 4.7897 8.7906 115.1787 59.5885 36.7302 174.0079 124 E 4.7352 8.9433 124.4341 55.3686 30.9659 175.1853 125 V 4.7070 8.6674 126.7712 60.7542 34.9728 173.9344 126 W 5.3507 9.0951 126.5223 54.9519 32.2728 174.2048 127 Q 5.0349 9.4035 125.8515 54.3443 31.5215 174.1190 128 I 4.5511 8.3807 126.5755 58.9435 40.4577 175.8642 129 L 3.2549 8.5740 129.0654 56.4980 40.2690 175.1969 130 D 4.6692 8.6875 126.7094 54.8398 40.8394 175.6767 131 R 4.7386 7.6151 118.6277 54.4480 32.9987 174.2070 132 Y 5.5718 8.6798 116.8566 56.3161 41.7405 174.9966 133 K 4.8292 9.2710 122.9005 54.8475 35.9547 175.0666 134 I 4.2649 8.6628 128.8238 61.2138 37.6104 176.6496 135 I 3.6132 8.3670 129.3801 63.3651 37.5966 176.4575 136 R 4.4392 7.2307 115.1889 55.2877 32.2398 174.0907 137 V 4.0889 8.1454 120.2715 63.3755 33.0734 173.3495 138 K 4.1034 10.7800 126.9628 53.4248 29.1897 176.4454 139 G 4.3056 8.9432 115.0724 46.6471 0.0000 173.5122 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 K 8.31 4.28 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 5 W 8.69 4.75 0.00 3.31 3.14 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 6 V 7.31 3.64 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 0.64 0.00 0.00 0.55 0.00 0.00 *8 S 7.89 4.44 0.00 4.06 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 9 T 8.67 3.75 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 0.55 0.00 0.00 10 K 8.18 4.65 0.00 1.78 1.70 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 Y 8.55 5.44 0.00 2.78 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 12 V 8.47 4.65 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 0.72 0.00 0.00 0.97 0.00 0.00 13 E 9.33 4.52 0.00 2.17 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 2.34 2.27 0.00 14 A 8.88 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 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 0.00 0.00 0.00 16 E 8.18 4.31 0.00 2.09 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 2.31 2.28 0.00 17 L 7.49 4.22 0.00 1.74 1.59 0.93 0.81 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 18 K 8.69 4.69 0.00 1.74 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.57 7.81 19 E 8.56 4.16 0.00 1.93 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 2.43 2.30 0.00 20 G 8.88 3.93 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 0.00 0.00 0.00 21 S 8.11 4.52 0.00 3.79 3.80 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 22 Y 8.46 5.04 0.00 2.80 2.88 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 0.00 0.00 0.00 23 V 8.93 4.70 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 0.95 0.00 0.00 0.94 0.00 0.00 24 V 8.58 4.83 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 0.85 0.00 0.00 0.91 0.00 0.00 25 I 8.47 4.40 1.89 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 1.31 0.72 0.92 0.00 0.00 26 D 9.91 4.38 0.00 2.78 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 27 G 8.26 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 0.00 0.00 0.00 28 E 7.87 4.80 0.00 2.14 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 2.26 2.34 0.00 29 P 0.00 4.99 0.00 2.30 2.27 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 C 9.84 5.37 0.00 2.78 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 31 R 8.61 4.11 0.00 1.62 1.62 0.00 3.01 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.00 32 V 8.52 4.04 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 0.94 0.00 0.00 0.89 0.00 0.00 33 V 8.59 4.31 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 0.70 0.00 0.00 0.94 0.00 0.00 34 E 7.66 4.81 0.00 1.98 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 0.00 2.23 2.30 0.00 35 I 8.28 5.11 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 1.21 0.65 0.91 0.00 0.00 36 E 9.24 4.76 0.00 1.99 1.73 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 2.18 2.24 0.00 37 K 8.60 5.27 0.00 1.64 1.67 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.34 7.81 38 S 8.69 4.60 0.00 3.86 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 39 K 8.35 4.59 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.43 7.81 40 T 8.63 4.19 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 1.21 0.00 0.00 41 G 7.87 3.77 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 0.00 0.00 0.00 42 K 8.89 3.73 0.00 1.66 1.78 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.03 1.37 7.81 43 H 8.06 4.89 0.00 3.15 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.77 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 45 S 8.22 4.48 0.00 3.99 3.87 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 46 A 8.30 4.41 1.26 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 0.00 0.00 47 K 9.19 5.06 0.00 1.62 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.50 7.81 48 A 9.16 5.18 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 49 R 9.27 4.82 0.00 1.81 1.78 0.00 3.07 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 50 I 9.00 4.80 1.87 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 1.11 0.49 0.89 0.00 0.00 51 V 8.80 4.82 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 1.03 0.00 0.00 0.92 0.00 0.00 52 A 9.15 5.14 1.19 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 0.00 0.00 53 V 8.59 4.75 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 0.72 0.00 0.00 0.95 0.00 0.00 54 G 9.05 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 55 V 9.02 3.60 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 0.14 0.00 0.00 1.12 0.00 0.00 56 F 8.45 4.17 0.00 3.12 2.72 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 57 D 8.53 4.66 0.00 2.84 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 58 G 8.02 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 59 G 8.89 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 60 K 8.54 4.78 0.00 1.78 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 61 R 9.20 4.97 0.00 1.74 1.75 0.00 3.14 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 62 T 8.38 5.23 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 1.21 0.00 0.00 63 L 8.89 4.57 0.00 1.75 1.51 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.54 5.40 0.00 3.76 3.74 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 0.00 0.00 0.00 0.00 65 L 8.57 4.47 0.00 1.74 1.74 0.93 0.73 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 66 P 0.00 4.74 0.00 2.26 2.02 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 67 V 8.69 3.72 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 0.78 0.00 0.00 0.94 0.00 0.00 68 D 8.22 5.23 0.00 2.77 2.76 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 69 A 7.70 4.42 1.34 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 0.00 0.00 70 Q 8.59 4.70 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 71 V 8.89 4.60 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 0.97 0.00 0.00 1.04 0.00 0.00 72 E 8.87 4.21 0.00 1.80 1.71 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 2.22 1.95 0.00 73 V 8.10 4.75 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 0.99 0.00 0.00 74 P 0.00 4.33 0.00 2.19 2.04 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 75 I 8.02 4.02 1.77 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 1.32 0.77 0.82 0.00 0.00 76 I 8.01 4.36 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 0.00 0.00 0.00 0.97 0.28 0.04 0.00 0.00 77 E 8.72 4.44 0.00 2.02 1.85 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 2.35 2.28 0.00 78 K 8.50 5.26 0.00 1.59 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.30 0.88 7.81 79 F 8.91 5.02 0.00 3.05 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 80 T 8.73 5.16 4.32 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 1.25 0.00 0.00 81 A 8.78 4.91 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 82 Q 8.49 5.01 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 83 I 8.81 4.07 2.02 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 1.22 0.52 0.91 0.00 0.00 84 L 9.09 4.42 0.00 1.58 1.72 0.94 0.88 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 85 S 7.58 4.68 0.00 3.85 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 86 V 8.27 4.79 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 0.85 0.00 0.00 0.93 0.00 0.00 87 S 8.81 4.85 0.00 4.00 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 88 G 8.56 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 0.00 0.00 0.00 89 D 7.68 4.86 0.00 2.74 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 90 V 8.21 4.75 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 0.97 0.00 0.00 0.91 0.00 0.00 91 I 8.88 4.78 1.88 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 0.93 0.91 0.00 0.00 92 Q 8.92 4.57 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.43 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 93 L 8.81 5.36 0.00 1.54 1.39 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *95 D 8.36 4.54 0.00 2.65 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 *97 R 8.58 4.07 0.00 1.79 1.86 0.00 3.09 0.00 0.00 3.28 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 98 D 7.30 4.47 0.00 2.64 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 99 Y 8.06 3.83 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 100 K 8.21 4.31 0.00 1.87 1.81 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.69 1.36 7.81 101 T 8.18 4.77 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 1.26 0.00 0.00 102 I 8.77 4.59 1.68 0.00 0.00 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 1.07 0.60 0.22 0.00 0.00 103 E 8.75 5.07 0.00 1.83 1.85 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 2.21 2.27 0.00 104 V 8.63 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 1.18 0.00 0.00 0.96 0.00 0.00 105 P 0.00 5.21 0.00 1.90 1.73 0.00 4.11 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.37 0.00 *107 K 8.56 4.22 0.00 1.93 1.98 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.86 7.81 108 Y 7.93 5.03 0.00 3.21 3.15 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 0.00 109 V 7.70 4.68 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 0.82 0.00 0.00 0.95 0.00 0.00 110 E 8.74 3.86 0.00 1.99 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 2.24 2.35 0.00 111 E 9.18 3.93 0.00 1.94 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 2.39 2.33 0.00 112 E 8.15 3.96 0.00 2.08 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 2.21 2.26 0.00 113 A 8.09 4.31 1.31 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 0.00 114 K 7.78 3.96 0.00 1.89 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.65 7.81 115 G 8.09 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 0.00 0.00 0.00 116 R 7.70 4.52 0.00 1.78 1.90 0.00 3.15 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 117 L 7.53 4.11 0.00 1.63 1.61 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.23 4.64 1.20 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 0.00 119 P 0.00 4.58 0.00 2.19 2.09 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 120 G 9.21 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 0.00 121 A 7.87 4.28 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 0.00 122 E 8.65 5.05 0.00 2.04 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 2.35 2.34 0.00 123 V 8.79 4.79 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 0.70 0.00 0.00 0.95 0.00 0.00 124 E 8.94 4.74 0.00 2.02 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 0.00 2.40 2.32 0.00 125 V 8.67 4.71 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 0.00 0.00 1.03 0.00 0.00 0.68 0.00 0.00 126 W 9.10 5.35 0.00 3.13 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 0.00 127 Q 9.40 5.03 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 128 I 8.38 4.55 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.94 0.00 0.00 129 L 8.57 3.25 0.00 1.63 0.78 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.69 4.67 0.00 2.56 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 0.00 131 R 7.62 4.74 0.00 1.07 1.22 0.00 2.44 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.00 132 Y 8.68 5.57 0.00 2.95 2.98 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 0.00 133 K 9.27 4.83 0.00 1.36 1.37 0.00 1.07 0.00 0.00 1.20 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.06 1.36 7.81 134 I 8.66 4.26 1.84 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 1.19 0.50 0.84 0.00 0.00 135 I 8.37 3.61 1.51 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.36 0.44 0.00 0.00 136 R 7.23 4.44 0.00 1.77 1.87 0.00 2.88 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 137 V 8.15 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 0.80 0.00 0.00 0.94 0.00 0.00 138 K 10.78 4.10 0.00 1.85 1.96 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.38 7.81 139 G 8.94 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.