NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5227 8.4104 110.3207 62.1318 70.1935 174.0777 4 A 4.3968 7.9625 123.9574 52.5136 21.1038 175.7911 5 Y 4.9841 8.3706 112.9009 58.4804 40.7469 176.3877 6 D 4.6773 8.1669 117.9542 54.8872 40.4824 177.4512 7 V 4.1351 8.9724 120.4112 64.8682 33.0508 175.7209 8 I 4.0073 7.7126 120.1419 61.5132 37.3105 173.9806 9 L 4.7929 9.0797 124.2772 55.6129 43.5129 176.2825 10 A 4.9877 7.8666 118.7312 49.8530 22.9907 173.0387 11 P 5.0478 0.0000 0.0000 62.5484 32.3897 176.5157 12 V 4.2028 8.0990 122.4091 60.9201 33.0591 176.3571 13 L 4.1919 8.4654 121.9558 52.8620 43.1543 175.7900 14 S 4.5496 7.2444 116.5087 55.1738 66.4072 175.1326 15 E 3.9956 8.9793 121.7961 60.0068 28.9583 179.6435 16 K 3.7532 8.0761 116.9991 59.6746 32.3835 177.8936 17 A 4.0352 8.0852 121.1206 55.4847 18.2435 179.1383 18 Y 3.4693 7.5705 114.1866 61.0926 37.7730 178.7110 19 A 4.1361 8.7823 122.1527 55.4832 18.3396 179.7724 20 G 3.7263 8.2719 103.4878 48.2017 0.0000 175.7081 21 F 3.9053 9.4923 119.3340 61.0774 39.2330 177.6815 22 A 4.1776 7.4957 122.1317 54.4504 20.0085 177.1346 23 E 4.4320 8.6999 111.1350 56.0882 29.5077 177.8643 24 G 3.5841 9.5267 103.1314 45.8479 0.0000 173.2211 25 K 3.7862 7.7584 126.3909 56.4861 33.2117 174.2211 26 Y 4.4517 7.8638 118.9018 55.8611 40.9166 174.1503 27 T 4.2011 7.8526 112.7535 60.4305 69.7440 173.0801 28 F 4.9489 7.9824 122.5220 54.9739 43.7310 174.3496 29 W 4.5113 9.3151 122.2944 57.3663 29.7786 176.1366 30 V 5.2138 7.8911 126.3349 61.2951 33.7850 173.5867 31 H 4.6136 8.8767 119.7659 55.0527 30.1188 174.2288 32 P 4.0069 0.0000 0.0000 65.6219 31.9260 177.9412 33 K 4.3093 7.3943 119.0492 56.0427 35.3778 175.9435 34 A 3.7594 8.8296 119.1450 53.5762 16.7007 178.6864 35 T 3.7458 8.7467 110.9654 64.6759 67.6707 175.1485 36 K 4.6555 7.8218 117.0095 56.0752 31.4605 175.8665 37 T 3.9304 8.5921 120.9709 66.4270 68.6812 175.7492 38 E 4.4629 8.2525 120.2043 56.7966 28.6915 177.3395 39 I 4.3188 7.8321 111.6834 61.0516 37.6783 177.2858 40 K 4.1141 7.6097 121.9466 60.2305 33.4306 178.6783 41 N 4.8360 8.0299 117.9355 50.9278 36.3144 174.5274 42 A 4.6034 7.6341 120.2069 54.5781 23.1535 178.2330 43 V 3.9740 7.8626 115.2559 63.6774 31.7260 177.4437 44 E 4.3378 8.2177 116.8647 57.1902 29.8773 177.2931 45 T 4.5578 7.8851 108.3016 61.5265 69.5672 174.3752 46 A 4.2647 7.9344 124.1115 53.0799 21.0024 177.2225 47 F 4.5633 8.6063 111.3534 56.2232 39.4076 176.4932 48 K 3.8688 8.0515 114.1426 56.2295 28.4901 173.6052 49 V 4.4202 7.4162 113.8398 60.4531 36.2240 171.7762 50 K 4.6123 8.6157 122.3921 55.2369 34.1435 175.2685 51 V 4.4990 8.3167 128.6207 61.7280 32.1543 175.8117 52 V 4.1552 8.2109 126.2885 62.3894 32.4538 174.8032 53 K 4.3857 7.1362 116.9902 56.6100 35.1199 173.5515 54 V 4.9630 8.4125 124.4850 61.4862 34.8664 173.8134 55 N 5.3265 8.4819 121.1088 52.1238 42.8101 173.6699 56 T 4.8417 8.2150 109.0011 60.8051 71.5653 173.4056 57 L 4.7139 8.4473 122.9602 55.0021 46.1413 173.8707 58 H 5.4754 8.0200 117.4568 58.7624 33.5773 173.3418 59 V 4.0783 8.2702 119.4842 61.2093 36.7116 176.8576 60 R 3.2767 9.0259 124.6107 58.4470 27.6441 175.4110 61 G 4.0281 8.1195 116.0757 44.6810 0.0000 171.6328 62 K 4.8441 8.0947 119.6816 55.1507 35.3218 175.6804 63 K 4.5546 8.1154 117.6114 55.5926 36.4253 175.7606 64 K 4.4781 8.4567 124.9404 55.0914 34.8120 176.2677 65 R 4.0191 8.7115 121.1595 57.7179 28.4582 175.3876 66 L 4.1359 9.3147 128.1488 55.4924 43.2824 174.2309 67 G 4.1476 7.2694 109.2024 43.7794 0.0000 173.7872 68 R 5.0837 8.8419 121.4312 56.1251 32.2950 173.8440 69 Y 3.2303 8.6076 115.1245 58.9464 35.4318 169.9503 70 L 4.4968 8.4451 125.9230 53.6646 45.0154 178.9573 71 G 3.9399 7.6433 108.6953 46.0097 0.0000 173.3569 72 K 4.6753 8.1093 126.0062 56.6245 32.0275 178.2096 73 R 4.6542 9.0109 110.0021 56.1733 29.2944 172.6059 74 P 3.9780 0.0000 0.0000 61.3567 31.7151 174.4084 75 D 5.0465 8.9363 122.5791 53.2773 43.1741 174.8006 76 R 4.5248 7.6683 115.4928 54.7750 32.9063 173.6290 77 K 5.1443 8.3719 126.4280 55.2783 35.9220 174.5403 78 K 3.9360 8.1172 121.8994 56.9181 33.1448 174.8795 79 A 4.7315 8.1714 125.4227 50.4707 20.3565 176.7712 80 I 3.7664 8.9422 123.6692 62.2145 39.1221 175.7227 81 V 3.8638 7.9112 120.7815 60.7104 31.6015 170.9756 82 Q 4.0353 8.8915 123.3418 55.9730 29.3356 176.8441 83 V 3.6949 9.4400 113.4799 64.2688 30.7363 174.2809 84 A 4.2668 9.1473 128.8425 52.0717 16.2258 178.2794 85 P 4.1485 0.0000 0.0000 65.2566 31.4871 175.7139 86 G 4.0036 7.4399 106.9282 45.1162 0.0000 172.5698 87 Q 4.5274 7.8477 122.8474 54.0068 32.3103 171.1499 88 K 3.7207 9.4296 122.9749 57.1956 31.9951 177.2987 89 I 3.5284 8.7222 121.3364 61.6265 35.6963 173.8793 90 E 4.2290 7.4790 120.4786 59.1653 29.2120 177.4787 91 A 4.1992 8.2141 122.3116 53.6560 19.2708 177.2289 92 L 4.3568 7.4320 116.7618 55.7784 41.5329 176.7918 93 E 3.9118 8.2891 124.8569 55.5901 28.1610 173.4203 94 G 3.1587 6.5812 112.5832 46.5660 0.0000 174.2612 *95 L 4.1219 7.3541 126.1005 53.6309 41.6291 178.8143 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 3 T 8.41 4.52 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 1.18 0.00 0.00 4 A 7.96 4.40 0.96 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 5 Y 8.37 4.98 0.00 2.99 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 6 D 8.17 4.68 0.00 2.68 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 7 V 8.97 4.14 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 0.99 0.00 0.00 0.95 0.00 0.00 8 I 7.71 4.01 1.80 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 0.96 0.10 0.69 0.00 0.00 9 L 9.08 4.79 0.00 1.82 1.75 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.87 4.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 5.05 0.00 2.24 2.61 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 12 V 8.10 4.20 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 0.46 0.00 0.00 0.64 0.00 0.00 13 L 8.47 4.19 0.00 1.63 1.64 1.05 0.95 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 14 S 7.24 4.55 0.00 3.87 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 15 E 8.98 4.00 0.00 2.07 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 0.00 2.43 2.52 0.00 16 K 8.08 3.75 0.00 1.71 1.79 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.50 7.81 17 A 8.09 4.04 1.01 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 0.00 0.00 0.00 18 Y 7.57 3.47 0.00 2.92 2.40 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 0.00 19 A 8.78 4.14 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 20 G 8.27 3.73 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 0.00 0.00 0.00 21 F 9.49 3.91 0.00 2.94 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.50 4.18 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 23 E 8.70 4.43 0.00 1.89 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 0.00 2.20 2.25 0.00 24 G 9.53 3.58 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 0.00 0.00 0.00 25 K 7.76 3.79 0.00 1.59 1.63 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.15 7.81 26 Y 7.86 4.45 0.00 2.84 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 27 T 7.85 4.20 4.06 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 0.92 0.00 0.00 28 F 7.98 4.95 0.00 2.89 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 29 W 9.32 4.51 0.00 3.38 3.16 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 0.00 0.00 0.00 0.00 30 V 7.89 5.21 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 1.15 0.00 0.00 1.05 0.00 0.00 31 H 8.88 4.61 0.00 3.19 3.32 0.00 6.02 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.01 0.00 2.16 2.10 0.00 3.75 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 1.57 1.94 0.00 33 K 7.39 4.31 0.00 1.93 2.01 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.40 7.81 34 A 8.83 3.76 1.44 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 35 T 8.75 3.75 4.62 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 1.24 0.00 0.00 36 K 7.82 4.66 0.00 2.13 2.13 0.00 1.39 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.79 7.81 37 T 8.59 3.93 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 38 E 8.25 4.46 0.00 2.02 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 2.33 2.39 0.00 39 I 7.83 4.32 1.86 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 1.54 0.55 1.02 0.00 0.00 40 K 7.61 4.11 0.00 1.96 2.05 0.00 1.31 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 41 N 8.03 4.84 0.00 2.84 2.94 0.00 0.00 6.10 7.26 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 42 A 7.63 4.60 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 43 V 7.86 3.97 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 0.76 0.00 0.00 0.30 0.00 0.00 44 E 8.22 4.34 0.00 2.49 2.25 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 2.58 2.32 0.00 45 T 7.89 4.56 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 46 A 7.93 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.61 4.56 0.00 2.92 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 48 K 8.05 3.87 0.00 1.84 1.82 0.00 1.83 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 V 7.42 4.42 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 0.61 0.00 0.00 1.00 0.00 0.00 50 K 8.62 4.61 0.00 1.81 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 51 V 8.32 4.50 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 0.78 0.00 0.00 0.98 0.00 0.00 52 V 8.21 4.16 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 0.84 0.00 0.00 0.96 0.00 0.00 53 K 7.14 4.39 0.00 1.80 1.54 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.31 7.81 54 V 8.41 4.96 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 0.86 0.00 0.00 0.95 0.00 0.00 55 N 8.48 5.33 0.00 2.56 2.60 0.00 0.00 6.72 7.42 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 56 T 8.22 4.84 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 1.20 0.00 0.00 57 L 8.45 4.71 0.00 1.73 1.54 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.02 5.48 0.00 3.14 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.27 4.08 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 0.78 0.00 0.00 1.22 0.00 0.00 60 R 9.03 3.28 0.00 2.12 2.15 0.00 3.22 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 61 G 8.12 4.03 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 0.00 0.00 0.00 62 K 8.09 4.84 0.00 1.53 1.63 0.00 1.63 0.00 0.00 1.45 0.00 0.00 2.41 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.93 1.23 7.81 63 K 8.12 4.55 0.00 1.67 1.64 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 64 K 8.46 4.48 0.00 1.75 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 65 R 8.71 4.02 0.00 1.90 2.27 0.00 3.47 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 66 L 9.31 4.14 0.00 1.84 1.84 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.27 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 0.00 0.00 0.00 0.00 68 R 8.84 5.08 0.00 1.87 1.78 0.00 3.00 0.00 0.00 3.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 69 Y 8.61 3.23 0.00 3.03 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 70 L 8.45 4.50 0.00 1.45 1.83 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.64 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 72 K 8.11 4.68 0.00 1.82 0.89 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.38 7.81 73 R 9.01 4.65 0.00 1.97 2.02 0.00 3.09 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 74 P 0.00 3.98 0.00 2.39 2.10 0.00 3.60 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 1.99 1.62 0.00 75 D 8.94 5.05 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.52 0.00 1.80 2.26 0.00 2.92 0.00 0.00 2.95 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.65 0.00 77 K 8.37 5.14 0.00 1.67 2.00 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.10 0.86 7.81 78 K 8.12 3.94 0.00 1.71 1.75 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.26 7.81 79 A 8.17 4.73 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 80 I 8.94 3.77 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.29 0.90 0.00 0.00 81 V 7.91 3.86 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 0.70 0.00 0.00 0.90 0.00 0.00 82 Q 8.89 4.04 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 V 9.44 3.69 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 0.70 0.00 0.00 0.93 0.00 0.00 84 A 9.15 4.27 1.47 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 85 P 0.00 4.15 0.00 2.06 2.18 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 86 G 7.44 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 87 Q 7.85 4.53 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.02 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 88 K 9.43 3.72 0.00 2.22 2.01 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.58 7.81 89 I 8.72 3.53 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.42 1.07 0.00 0.00 90 E 7.48 4.23 0.00 2.13 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 2.51 2.67 0.00 91 A 8.21 4.20 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 0.00 0.00 0.00 0.00 0.00 92 L 7.43 4.36 0.00 1.84 1.67 1.03 0.74 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 93 E 8.29 3.91 0.00 1.99 2.18 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 2.27 2.04 0.00 94 G 6.58 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.35 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.