NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 H 4.8324 8.4444 120.4057 55.9185 31.2953 173.3018 10 V 3.7231 7.6073 117.3102 61.5171 31.7845 176.0456 11 S 4.5060 8.1712 112.6713 60.5339 63.9202 173.4102 12 D 4.9559 7.3832 120.8730 54.1758 41.6392 175.2269 13 L 3.8825 7.7431 114.9709 54.0310 41.9387 178.8919 14 D 4.3875 8.1439 121.7742 57.0981 41.0777 178.2224 15 W 4.3469 8.1252 115.7148 59.0695 28.4608 176.3512 16 L 3.6091 6.8744 121.6646 55.1894 41.4315 178.4298 *18 S 4.1460 8.2310 113.9136 57.5571 64.8378 175.7345 19 G 3.4905 7.9796 107.1144 47.5980 0.0000 175.2034 20 L 4.0365 7.7915 122.2057 58.0201 41.7000 179.0726 21 V 3.9896 7.5717 118.9864 65.6683 31.2973 177.6697 22 Q 4.1320 8.7829 116.8594 57.6621 28.6320 177.3503 23 R 4.7231 7.8024 118.2393 55.2839 31.5243 176.2696 24 V 4.2826 7.3843 116.3613 59.1379 32.0113 172.6799 25 P 4.3739 0.0000 0.0000 65.0164 31.8471 176.9388 26 H 4.3847 8.8319 116.9749 56.0908 27.3587 175.3794 27 T 4.5549 7.7075 110.1896 61.7654 69.3987 174.8177 28 T 4.5472 8.8883 116.8450 62.8404 70.6745 173.6362 29 S 5.0266 7.8263 114.7514 57.3187 67.7505 173.3240 30 A 5.1315 9.0888 124.1363 50.4186 22.7776 175.2554 31 V 4.6906 9.0010 121.8219 60.9244 35.2736 173.7494 32 L 5.1516 9.1128 130.3857 53.2778 43.9046 174.9965 33 L 5.3673 9.0662 126.2130 53.7181 44.4975 176.0700 34 S 4.9197 8.7312 115.3710 58.1572 64.1647 174.9740 35 C 4.3822 8.7466 116.4295 60.0395 29.6266 174.0751 36 D 4.4753 7.9573 119.0420 53.9894 39.3811 176.8972 37 G 3.9560 8.6800 108.9951 45.3735 0.0000 173.1752 38 L 4.4844 7.6710 119.8288 52.6171 42.9228 176.4834 39 V 3.9111 8.3194 123.3564 63.2688 32.3095 174.5881 40 K 4.5005 9.2579 125.7234 57.7183 34.4204 176.3117 41 S 5.0016 7.6571 114.0862 57.0638 67.5382 173.1664 42 V 4.8837 8.7643 120.2680 61.1093 34.4878 172.7378 43 H 4.7294 9.5348 122.5351 55.9107 32.8222 174.0938 44 G 4.0628 9.2724 112.6953 45.9816 0.0000 173.1736 45 L 4.8071 7.2362 118.2278 52.0948 45.2320 176.5448 46 D 4.6159 8.3645 121.5008 52.2818 41.8082 175.5328 47 P 4.1931 0.0000 0.0000 66.2882 31.4125 178.6221 48 D 4.3759 8.0006 116.7350 57.4608 40.6908 178.8324 49 S 4.1516 8.4516 114.6428 61.4518 62.8458 176.3636 50 A 4.1412 8.0259 122.8726 55.2574 18.4477 179.0317 51 D 4.5047 8.0267 117.1762 57.6071 40.8273 178.2886 52 H 4.1181 8.0120 116.0475 56.7811 29.8621 176.6349 *54 A 4.2247 8.0395 124.0329 51.6008 20.6555 179.7377 55 A 3.9923 8.0492 117.6593 55.2269 18.2558 179.9319 56 L 3.8710 8.0233 117.2206 57.9172 41.6780 179.5655 57 A 4.0312 7.9745 120.4888 55.1935 18.3076 179.6949 58 S 4.2354 8.2801 113.0387 61.4607 63.0741 176.9327 59 G 3.6136 8.1323 109.4040 47.5656 0.0000 175.7006 60 L 4.0225 8.2948 121.7939 57.6125 41.5923 179.0309 61 Y 3.9926 8.3424 119.7272 60.7781 38.7893 177.9358 62 S 4.0772 8.4529 114.2730 61.2306 62.3841 176.1464 63 L 4.0642 8.3966 122.3550 57.5067 41.4620 179.3400 64 G 3.6787 8.2499 106.1322 48.1220 0.0000 175.6315 65 R 3.7561 7.9711 122.0100 58.8988 29.9431 178.7545 66 S 4.0656 8.2040 114.8774 61.2961 62.7688 176.3620 67 A 4.2432 8.3655 123.9362 55.2018 18.1508 179.7456 68 G 3.6603 7.9647 103.8915 48.0933 0.0000 175.8421 69 I 3.6511 7.5176 121.0429 64.2047 37.2828 178.3750 70 R 3.8229 8.3857 118.4828 58.1620 29.8141 176.9863 71 F 4.8630 8.2008 115.2631 56.6791 39.6089 175.0770 72 G 3.8438 7.9585 110.7844 45.1008 0.0000 174.6408 73 D 4.1826 8.9836 127.8824 54.4052 38.5469 175.6548 74 G 4.5093 8.4455 107.5381 47.1887 0.0000 174.5711 75 G 3.7193 7.3571 107.5946 45.0274 0.0000 174.2442 76 D 4.3811 8.5725 123.5367 53.8872 41.4458 176.7021 77 V 3.6368 8.2099 123.1382 63.4560 31.9597 176.1291 78 R 4.2006 8.6553 126.2619 58.9196 30.5474 176.4958 79 Q 4.8425 7.2926 113.7757 55.3954 31.8658 173.2355 80 V 4.4995 8.8321 125.4137 61.0370 34.4491 174.3152 81 V 4.5487 8.2921 126.5074 60.9908 34.1499 174.3287 82 V 4.2314 8.6336 128.2435 61.0963 33.6821 173.7602 83 E 4.7026 8.7087 128.8947 54.7261 30.7353 175.2452 84 L 4.5852 8.4458 128.0542 52.7434 43.9242 176.6682 85 D 4.4905 8.7606 119.0449 56.2217 39.0147 177.5578 86 S 4.5920 7.6043 110.3351 57.6285 63.9880 172.3821 87 T 4.4198 7.0637 114.8530 61.9738 70.8078 171.1230 88 L 5.1845 8.9643 122.6569 52.6173 45.9133 175.7606 89 L 5.1305 8.5048 123.9137 53.4741 44.6310 174.8839 90 F 5.2133 9.5641 125.7994 55.7604 41.8214 175.0072 91 V 5.0752 9.0448 123.1510 61.2548 34.4877 174.4271 92 S 5.2059 8.8113 121.3605 56.3733 67.0150 173.4536 93 T 4.1107 8.6476 116.1372 63.2683 68.9926 174.1997 94 A 4.5066 8.7717 126.2176 52.4237 19.9023 175.5325 95 G 3.7915 8.3853 105.1151 45.2095 0.0000 174.1262 96 S 4.2503 8.3994 113.8972 59.6317 63.2115 174.9898 97 G 3.9539 9.1389 111.5471 45.9122 0.0000 172.5093 98 T 5.1778 7.7513 115.5130 62.0034 73.2218 172.7889 99 C 5.0032 9.0957 121.0289 57.9805 33.3440 172.5886 100 L 5.1256 8.8486 123.4081 53.1882 44.6436 174.8764 101 A 5.2254 9.2159 127.7503 50.1360 22.1150 174.7757 102 V 4.8029 9.2312 122.9330 61.1189 34.7518 174.1580 103 L 5.2809 8.5800 127.4670 53.5677 43.4340 175.5623 104 A 5.1567 9.3603 125.2313 50.1110 23.1231 175.8859 105 G 4.3376 9.1317 108.8521 45.4543 0.0000 174.8831 106 R 4.3045 8.7961 121.4749 58.8622 30.4735 177.3151 107 E 4.1308 8.1062 113.7519 56.7714 30.0708 176.2027 108 A 4.2765 8.1923 124.4807 51.8747 19.0395 177.3983 109 D 4.4001 8.6697 121.5693 54.2728 42.0642 176.9799 110 A 3.9267 8.6313 129.7192 54.4784 18.6134 178.8788 111 A 3.9360 7.9120 120.0810 55.4080 18.4543 180.0474 112 V 3.6297 7.8760 116.3664 65.9415 31.4640 177.8336 113 L 3.9731 8.0640 119.8507 57.8016 41.9163 178.9352 114 G 3.7158 7.8279 104.8867 48.0584 0.0000 174.7182 115 Y 4.3485 7.7975 121.1969 60.1334 38.8019 177.8366 116 E 3.8728 8.0119 116.5238 56.5403 29.9440 177.0954 *118 A 4.0399 7.8236 120.1885 52.0559 20.4532 179.2969 *120 L 4.0889 7.9354 122.2872 56.6568 43.5519 178.9948 121 V 3.5402 7.7117 117.1106 66.1412 31.1880 177.9986 122 K 4.0145 7.6424 116.1964 59.5016 31.8905 179.1472 123 S 4.3810 7.8132 114.1238 61.0405 63.1572 176.2674 124 V 3.7182 7.9665 121.2132 65.4605 31.2492 177.7893 125 R 3.9105 7.6822 118.1769 59.0914 29.6746 176.6450 126 P 4.3518 0.0000 0.0000 64.9229 31.5103 176.7155 127 Y 4.3369 8.2043 115.0389 59.0846 38.2335 175.3275 128 L 4.3634 7.4282 119.7535 55.2631 42.2256 176.7061 *130 T 4.1351 7.9657 118.3173 62.4207 67.4010 172.9792 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 9 H 8.44 4.83 0.00 3.21 3.70 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.61 3.72 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 0.86 0.00 0.00 0.91 0.00 0.00 11 S 8.17 4.51 0.00 4.03 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 12 D 7.38 4.96 0.00 2.64 2.75 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 0.00 0.00 0.00 13 L 7.74 3.88 0.00 1.39 1.01 -0.20 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.14 4.39 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 15 W 8.13 4.35 0.00 3.54 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 16 L 6.87 3.61 0.00 0.27 1.04 0.70 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 *18 S 8.23 4.15 0.00 3.74 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 19 G 7.98 3.49 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 20 L 7.79 4.04 0.00 1.71 1.58 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.57 3.99 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 1.41 0.00 0.00 0.96 0.00 0.00 22 Q 8.78 4.13 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 23 R 7.80 4.72 0.00 2.09 1.93 0.00 3.55 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 24 V 7.38 4.28 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 0.79 0.00 0.00 0.91 0.00 0.00 25 P 0.00 4.37 0.00 2.03 1.97 0.00 3.74 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 2.03 2.12 0.00 26 H 8.83 4.38 0.00 3.41 3.53 0.00 5.61 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 27 T 7.71 4.55 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 1.22 0.00 0.00 28 T 8.89 4.55 4.27 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 1.24 0.00 0.00 29 S 7.83 5.03 0.00 3.79 3.69 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 30 A 9.09 5.13 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 31 V 9.00 4.69 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 0.90 0.00 0.00 0.92 0.00 0.00 32 L 9.11 5.15 0.00 1.61 1.38 0.85 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.07 5.37 0.00 1.70 1.65 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.73 4.92 0.00 3.92 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 35 C 8.75 4.38 0.00 3.13 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 36 D 7.96 4.48 0.00 2.81 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 37 G 8.68 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 38 L 7.67 4.48 0.00 1.72 1.58 0.92 0.76 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 39 V 8.32 3.91 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 0.77 0.00 0.00 0.95 0.00 0.00 40 K 9.26 4.50 0.00 1.79 1.89 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.50 7.81 41 S 7.66 5.00 0.00 3.55 3.62 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 42 V 8.76 4.88 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 0.53 0.00 0.00 0.91 0.00 0.00 43 H 9.53 4.73 0.00 3.19 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.27 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 0.00 0.00 0.00 0.00 45 L 7.24 4.81 0.00 1.58 1.53 0.92 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 46 D 8.36 4.62 0.00 2.89 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 47 P 0.00 4.19 0.00 2.17 2.18 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 48 D 8.00 4.38 0.00 2.68 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 49 S 8.45 4.15 0.00 4.01 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 50 A 8.03 4.14 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 51 D 8.03 4.50 0.00 2.88 2.74 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 52 H 8.01 4.12 0.00 3.40 3.43 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.04 4.22 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 55 A 8.05 3.99 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 56 L 8.02 3.87 0.00 1.72 1.73 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.97 4.03 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 58 S 8.28 4.24 0.00 4.33 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 59 G 8.13 3.61 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 0.00 60 L 8.29 4.02 0.00 1.91 1.76 0.93 0.95 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 61 Y 8.34 3.99 0.00 3.14 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 62 S 8.45 4.08 0.00 3.99 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 63 L 8.40 4.06 0.00 1.70 1.69 0.92 0.80 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 64 G 8.25 3.68 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 0.00 0.00 0.00 65 R 7.97 3.76 0.00 1.39 1.71 0.00 3.09 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 66 S 8.20 4.07 0.00 4.02 3.85 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 67 A 8.37 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.96 3.66 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 0.00 0.00 0.00 69 I 7.52 3.65 1.92 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 1.37 0.65 0.85 0.00 0.00 70 R 8.39 3.82 0.00 1.45 1.35 0.00 2.91 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.00 71 F 8.20 4.86 0.00 3.10 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 72 G 7.96 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 0.00 0.00 0.00 73 D 8.98 4.18 0.00 2.91 3.24 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 0.00 74 G 8.45 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 3.72 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 0.00 0.00 0.00 76 D 8.57 4.38 0.00 2.69 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 77 V 8.21 3.64 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 0.81 0.00 0.00 0.60 0.00 0.00 78 R 8.66 4.20 0.00 1.89 2.01 0.00 3.33 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 79 Q 7.29 4.84 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 80 V 8.83 4.50 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 0.96 0.00 0.00 1.02 0.00 0.00 81 V 8.29 4.55 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 0.16 0.00 0.00 0.78 0.00 0.00 82 V 8.63 4.23 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 0.83 0.00 0.00 0.89 0.00 0.00 83 E 8.71 4.70 0.00 1.92 1.78 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 2.16 2.27 0.00 84 L 8.45 4.59 0.00 1.81 1.59 0.91 1.31 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 85 D 8.76 4.49 0.00 2.78 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 86 S 7.60 4.59 0.00 3.97 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 87 T 7.06 4.42 4.26 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 1.22 0.00 0.00 88 L 8.96 5.18 0.00 1.86 1.08 1.03 0.39 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 89 L 8.50 5.13 0.00 1.72 1.43 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.56 5.21 0.00 2.93 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 91 V 9.04 5.08 2.17 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 1.04 0.00 0.00 0.97 0.00 0.00 92 S 8.81 5.21 0.00 3.95 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 93 T 8.65 4.11 4.22 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 1.20 0.00 0.00 94 A 8.77 4.51 1.11 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 0.00 0.00 95 G 8.39 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 0.00 0.00 0.00 96 S 8.40 4.25 0.00 3.99 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 97 G 9.14 3.95 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 0.00 0.00 0.00 98 T 7.75 5.18 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 1.21 0.00 0.00 99 C 9.10 5.00 0.00 2.64 2.59 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 0.00 0.00 0.00 100 L 8.85 5.13 0.00 1.64 1.43 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.22 5.23 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 0.00 102 V 9.23 4.80 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 0.92 0.00 0.00 0.91 0.00 0.00 103 L 8.58 5.28 0.00 1.72 1.62 0.94 0.59 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 0.00 104 A 9.36 5.16 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 0.00 105 G 9.13 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 0.00 0.00 0.00 0.00 106 R 8.80 4.30 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 107 E 8.11 4.13 0.00 1.93 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 2.06 1.75 0.00 108 A 8.19 4.28 1.42 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 0.00 0.00 109 D 8.67 4.40 0.00 2.73 2.59 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 0.00 0.00 0.00 110 A 8.63 3.93 1.37 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 0.00 0.00 0.00 111 A 7.91 3.94 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 0.00 112 V 7.88 3.63 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 1.09 0.00 0.00 0.99 0.00 0.00 113 L 8.06 3.97 0.00 1.69 1.39 0.13 1.18 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 0.00 114 G 7.83 3.72 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 0.00 0.00 0.00 115 Y 7.80 4.35 0.00 2.94 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 0.00 116 E 8.01 3.87 0.00 1.92 1.86 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 2.64 2.49 0.00 *118 A 7.82 4.04 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 *120 L 7.94 4.09 0.00 1.73 1.60 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.71 3.54 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 0.92 0.00 0.00 122 K 7.64 4.01 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.58 7.81 123 S 7.81 4.38 0.00 3.92 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 0.00 124 V 7.97 3.72 2.17 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 1.09 0.00 0.00 0.79 0.00 0.00 125 R 7.68 3.91 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 126 P 0.00 4.35 0.00 1.80 1.98 0.00 3.92 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 2.02 2.09 0.00 127 Y 8.20 4.34 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.36 0.00 1.80 1.70 1.03 0.75 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 *130 T 7.97 4.14 4.27 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.