NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2768 7.9716 113.6743 61.2809 38.4086 170.9711 3 Q 3.1625 8.6506 133.7952 54.6651 30.0432 169.4236 4 E 3.8564 9.3858 126.1425 56.4899 32.0635 178.5104 5 Q 3.1790 9.1423 118.5636 57.4933 27.6173 169.9379 6 T 3.1741 8.4552 123.2701 64.3590 65.9049 171.0397 7 M 5.0754 8.2175 126.8765 53.9738 32.0535 175.9538 8 L 4.4405 8.2574 124.2948 53.9579 43.7120 176.2297 9 N 4.9295 8.8828 120.5824 52.7303 40.3330 174.8223 10 V 4.0784 8.3058 115.5712 61.4111 32.1828 176.0269 11 A 4.3355 8.7144 126.2451 52.2516 20.2532 176.1933 12 D 4.4515 7.3959 115.5779 51.4551 41.6997 174.4064 13 N 4.8574 8.0318 115.7559 51.7796 39.1191 169.6535 14 S 3.7616 8.9950 119.5456 58.7316 63.3946 171.0131 15 G 4.0536 8.9742 113.5508 46.3125 0.0000 174.4298 16 A 4.1334 7.1823 122.9744 53.2629 18.3280 178.1945 17 R 3.4634 8.7008 114.0943 56.3088 29.3281 175.9061 18 R 4.2541 8.2957 114.3645 57.4752 30.0463 175.8777 19 V 4.7163 8.5652 112.2082 60.6155 36.4333 173.8301 20 M 5.2590 8.1123 116.4264 54.1547 34.5610 174.4367 21 C 4.5349 8.4917 121.9689 60.1517 32.0819 173.0602 22 I 4.6538 7.9589 112.4232 61.0385 40.1211 175.4554 23 K 4.4135 7.7215 119.9180 55.5028 35.4582 174.1324 24 V 4.2191 8.5199 127.3822 61.6198 32.0660 175.0929 25 L 4.1337 7.8891 129.7187 53.3590 42.0933 176.5443 26 G 3.1359 9.4944 113.9460 45.2189 0.0000 174.0001 27 G 3.9498 9.0039 108.8701 45.2641 0.0000 172.8511 28 S 3.9559 8.3213 120.2521 59.2958 62.7780 174.1284 29 H 4.0489 9.0343 121.1490 56.4103 25.9242 174.9738 30 R 4.1643 8.0145 119.6962 56.9180 31.9825 177.3170 31 R 4.3673 8.9011 121.7578 56.9887 28.7262 178.3702 32 Y 4.9607 8.9288 117.4094 56.9641 40.6702 174.7897 33 A 4.7512 8.4944 125.1459 50.7472 21.1120 176.5854 34 G 4.1432 8.3290 108.1966 44.6893 0.0000 175.6637 35 V 3.2264 7.0689 115.8874 61.5130 28.1590 174.6074 36 G 3.5731 6.8186 109.2596 45.8098 0.0000 172.0921 37 D 5.2712 7.7693 119.9383 51.7777 44.1319 174.8593 38 I 4.7092 8.2426 113.6005 60.4273 39.3260 175.3080 39 I 4.6068 8.7344 127.9440 59.2342 41.0643 173.3538 40 K 4.8003 8.1742 122.9594 54.5039 35.3010 174.6589 41 I 4.8369 8.3391 125.4582 59.5663 41.6938 173.8448 42 T 4.8540 8.1513 125.0720 61.4907 70.9695 173.4760 43 I 3.8841 8.4264 128.4317 61.1903 38.1450 176.9490 44 K 4.7084 8.1520 131.5800 55.2220 32.2041 175.4669 45 E 4.5944 8.0149 119.5340 53.9734 37.4300 171.0201 46 A 3.7586 7.8441 129.8915 51.2795 18.9301 176.8109 47 I 4.4001 7.8858 113.7597 58.7793 39.6132 174.3388 48 P 4.0642 0.0000 0.0000 64.8510 32.6119 178.6111 49 R 4.5073 7.3647 119.0895 55.3179 30.0026 175.2722 50 G 4.0218 8.7282 119.8465 45.9439 0.0000 173.7867 51 K 4.3527 7.7517 121.7868 54.2052 30.6915 177.1176 52 V 4.5698 6.9901 116.9563 61.9296 35.0891 172.4037 53 K 4.3674 9.0532 123.6510 55.2872 35.2817 174.4331 54 K 4.7786 8.1635 118.8410 60.0928 31.8685 175.0179 55 G 3.6348 8.9455 119.6542 45.9092 0.0000 172.5140 56 D 4.4182 7.8045 120.9528 54.5026 41.9579 176.6132 57 V 5.1469 7.7520 119.4456 60.4103 30.4134 175.5745 58 L 4.6877 7.5992 129.2822 54.2075 45.1281 176.3276 59 K 4.8505 8.3369 119.4936 56.4038 36.7318 175.7339 60 A 5.2391 8.5103 122.4612 50.6183 23.3315 174.8319 61 V 4.9414 8.1138 109.1855 59.6825 35.9672 176.3740 62 V 3.9417 8.2582 123.0120 63.2358 32.0191 174.3066 63 V 4.2545 9.3020 121.8985 62.4115 33.1042 174.5129 64 R 5.0566 7.7590 116.8953 54.6611 33.0399 175.0992 65 T 5.0838 8.5327 112.7395 59.4215 71.4462 175.0809 66 K 4.9825 8.9644 123.7237 58.9913 32.4506 178.4341 67 K 3.9846 8.1339 117.5953 57.7615 32.1920 176.4486 68 G 4.0101 8.4052 108.5126 45.3967 0.0000 172.9355 69 V 4.2398 7.7687 122.7289 61.8556 33.0930 174.9532 70 R 5.0375 8.2513 121.8005 54.6311 32.6303 174.4953 71 R 3.8375 8.7197 115.8160 59.7294 36.5870 176.1551 72 P 3.4717 0.0000 0.0000 63.6624 32.0107 176.5742 73 D 4.5967 9.1159 123.2476 54.7763 39.6213 178.0990 74 G 3.9133 8.3805 107.8031 45.2433 0.0000 174.1295 75 S 4.0983 7.4378 114.8420 59.2249 64.1721 173.9994 76 V 4.1877 8.3365 122.6361 61.3634 33.5225 174.6630 77 I 4.3483 8.2725 130.2258 59.5386 38.6363 175.5686 78 R 4.4392 8.1922 122.5831 54.0149 31.9685 174.0064 79 F 5.2155 8.2674 115.9544 55.8222 42.8164 173.8147 80 D 4.8015 8.6458 120.2862 53.9186 43.4384 173.8288 81 G 3.6921 8.9866 115.6882 45.0814 0.0000 172.4731 82 N 4.9692 8.2701 122.8008 53.6926 40.1008 173.7950 83 A 5.5110 9.3589 121.6271 51.3372 22.7385 174.9036 84 C 5.1854 8.4141 111.8201 56.4984 31.1364 173.3294 85 V 3.6132 7.7754 119.7209 61.9097 32.2674 170.4546 86 L 4.7887 8.4917 125.1709 53.7270 43.6439 175.5989 87 L 5.3443 8.7052 121.4061 52.7328 45.6750 176.0316 88 N 4.4249 8.6036 119.3845 53.1412 38.2848 174.2895 89 N 4.1940 9.1619 118.6364 54.7425 39.2574 175.3421 90 N 4.8393 8.0600 117.7545 50.8754 37.2112 176.4015 91 S 4.2742 8.0651 107.2414 61.2705 66.6627 178.1026 92 E 3.6996 7.2530 119.4641 58.1643 25.9066 176.2736 93 Q 4.5217 7.6402 119.5681 53.1175 32.6384 172.4804 94 P 4.5266 0.0000 0.0000 62.6016 30.7288 175.7699 95 I 3.9915 8.3110 124.5393 59.7879 36.4295 175.7280 96 G 4.1312 7.3030 113.9555 44.8999 0.0000 169.4647 97 T 4.0989 8.2050 111.3298 61.3473 68.1802 177.1471 98 R 4.1113 9.2427 115.1879 56.3541 31.2273 174.1641 99 I 4.3347 7.9254 120.4847 59.3574 40.7427 175.0061 100 F 4.9457 8.3357 123.4956 56.7995 40.8903 174.8997 101 G 3.8922 8.9135 113.8321 45.1621 0.0000 171.5087 102 P 4.2336 0.0000 0.0000 62.6772 32.1800 175.6453 103 V 4.4993 7.8749 112.5581 59.4053 35.2290 175.7298 104 T 4.3889 8.1691 111.8062 60.9442 69.6547 176.0366 105 R 4.0061 8.6632 120.3362 59.3538 29.6638 177.7846 106 E 4.1163 8.1987 117.7538 58.5837 29.9697 178.1164 107 L 4.0978 7.8424 119.6589 56.4678 41.9485 177.7568 108 R 4.3313 7.9613 117.1253 57.4591 30.1693 176.4957 109 S 4.2783 7.6666 111.3927 59.6455 63.3265 175.8985 110 E 4.1852 8.5173 123.3283 55.7497 28.3412 178.4603 111 K 4.4223 7.6565 112.5292 57.2997 33.9880 176.0785 112 F 4.6281 7.5904 114.9013 57.7920 41.0975 175.6467 113 M 3.2993 7.7578 119.5538 55.9809 30.9541 178.9323 114 K 3.7781 7.9714 121.4310 59.4648 33.0850 177.9511 115 I 4.0131 7.5664 118.6612 63.2945 38.2531 177.7643 116 I 3.9377 7.7645 112.1011 63.7215 37.3347 176.8569 117 S 4.3232 8.2203 113.8062 59.2034 62.9682 173.4300 118 L 4.5973 7.8115 120.6387 53.2231 44.5551 174.6285 119 A 3.6208 8.5688 125.1220 51.7182 14.9026 175.4063 120 P 4.6050 0.0000 0.0000 62.4990 29.3378 176.4816 121 E 4.4958 8.2909 119.3111 58.5178 34.1022 176.6714 122 V 2.8126 7.9478 119.3733 63.4828 31.8246 176.3646 *123 L 4.1530 8.3215 127.0888 54.5912 41.4527 174.2614 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 I 7.97 4.28 1.89 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 1.32 1.68 1.17 0.00 0.00 3 Q 8.65 3.16 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.36 0.00 4 E 9.39 3.86 0.00 1.98 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 0.00 2.33 2.40 0.00 5 Q 9.14 3.18 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.80 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 6 T 8.46 3.17 4.29 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 1.20 0.00 0.00 7 M 8.22 5.08 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 8 L 8.26 4.44 0.00 1.59 1.56 0.92 0.70 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 9 N 8.88 4.93 0.00 2.81 2.72 0.00 0.00 6.88 7.29 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 10 V 8.31 4.08 2.19 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 0.68 0.00 0.00 0.95 0.00 0.00 11 A 8.71 4.34 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 12 D 7.40 4.45 0.00 2.60 2.54 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 13 N 8.03 4.86 0.00 2.89 3.08 0.00 0.00 5.85 7.64 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 14 S 8.99 3.76 0.00 4.05 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 15 G 8.97 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 16 A 7.18 4.13 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 17 R 8.70 3.46 0.00 1.92 1.91 0.00 3.42 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 18 R 8.30 4.25 0.00 1.80 1.98 0.00 2.98 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 19 V 8.57 4.72 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 0.84 0.00 0.00 0.96 0.00 0.00 20 M 8.11 5.26 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 21 C 8.49 4.53 0.00 3.04 3.27 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 22 I 7.96 4.65 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 1.12 0.84 1.03 0.00 0.00 23 K 7.72 4.41 0.00 1.85 1.62 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 24 V 8.52 4.22 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 0.95 0.00 0.00 1.00 0.00 0.00 25 L 7.89 4.13 0.00 1.93 1.61 0.97 0.93 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 26 G 9.49 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 0.00 0.00 0.00 27 G 9.00 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 28 S 8.32 3.96 0.00 3.91 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 29 H 9.03 4.05 0.00 3.34 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.01 4.16 0.00 1.97 1.88 0.00 3.28 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 31 R 8.90 4.37 0.00 1.63 1.47 0.00 3.63 0.00 0.00 3.34 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 32 Y 8.93 4.96 0.00 2.91 2.81 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 33 A 8.49 4.75 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 34 G 8.33 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 0.00 0.00 0.00 35 V 7.07 3.23 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 0.84 0.00 0.00 0.95 0.00 0.00 36 G 6.82 3.57 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 0.00 0.00 0.00 37 D 7.77 5.27 0.00 2.76 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 38 I 8.24 4.71 1.92 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 1.28 1.16 1.12 0.00 0.00 39 I 8.73 4.61 1.89 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 1.13 1.69 0.92 0.00 0.00 40 K 8.17 4.80 0.00 2.06 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.39 7.81 41 I 8.34 4.84 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 1.22 1.19 0.95 0.00 0.00 42 T 8.15 4.85 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 43 I 8.43 3.88 1.97 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 1.11 0.55 0.94 0.00 0.00 44 K 8.15 4.71 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.37 7.81 45 E 8.01 4.59 0.00 1.98 1.84 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 2.18 2.34 0.00 46 A 7.84 3.76 1.33 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 0.00 0.00 0.00 47 I 7.89 4.40 1.89 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 1.49 0.73 0.93 0.00 0.00 48 P 0.00 4.06 0.00 2.08 2.07 0.00 3.65 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 2.03 2.17 0.00 49 R 7.36 4.51 0.00 1.76 1.48 0.00 3.37 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 50 G 8.73 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 0.00 0.00 0.00 51 K 7.75 4.35 0.00 1.59 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 52 V 6.99 4.57 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 0.92 0.00 0.00 53 K 9.05 4.37 0.00 1.88 1.84 0.00 1.40 0.00 0.00 2.06 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.49 7.81 54 K 8.16 4.78 0.00 1.88 1.93 0.00 1.21 0.00 0.00 2.37 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 55 G 8.95 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 0.00 0.00 0.00 56 D 7.80 4.42 0.00 2.64 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 57 V 7.75 5.15 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 1.23 0.00 0.00 1.02 0.00 0.00 58 L 7.60 4.69 0.00 1.65 1.66 0.92 0.53 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 59 K 8.34 4.85 0.00 1.91 1.85 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.52 7.81 60 A 8.51 5.24 1.24 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 0.00 0.00 61 V 8.11 4.94 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 0.90 0.00 0.00 0.68 0.00 0.00 62 V 8.26 3.94 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 0.77 0.00 0.00 1.00 0.00 0.00 63 V 9.30 4.25 1.99 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 0.73 0.00 0.00 0.83 0.00 0.00 64 R 7.76 5.06 0.00 1.74 1.81 0.00 3.03 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 65 T 8.53 5.08 4.29 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 1.27 0.00 0.00 66 K 8.96 4.98 0.00 1.80 1.96 0.00 1.82 0.00 0.00 2.38 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.58 7.81 67 K 8.13 3.98 0.00 1.78 1.91 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.49 7.81 68 G 8.41 4.01 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 0.00 69 V 7.77 4.24 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 1.03 0.00 0.00 0.93 0.00 0.00 70 R 8.25 5.04 0.00 2.08 1.81 0.00 3.15 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 71 R 8.72 3.84 0.00 1.77 1.88 0.00 3.27 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 72 P 0.00 3.47 0.00 2.25 2.20 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 73 D 9.12 4.60 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 74 G 8.38 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 75 S 7.44 4.10 0.00 4.08 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 76 V 8.34 4.19 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 0.76 0.00 0.00 0.97 0.00 0.00 77 I 8.27 4.35 1.74 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 1.18 0.89 0.52 0.00 0.00 78 R 8.19 4.44 0.00 1.77 1.76 0.00 2.94 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 79 F 8.27 5.22 0.00 3.30 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 80 D 8.65 4.80 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 81 G 8.99 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 0.00 0.00 0.00 82 N 8.27 4.97 0.00 2.70 2.77 0.00 0.00 6.67 7.12 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 83 A 9.36 5.51 1.13 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 84 C 8.41 5.19 0.00 2.91 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 85 V 7.78 3.61 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 0.92 0.00 0.00 0.81 0.00 0.00 86 L 8.49 4.79 0.00 1.64 1.54 0.96 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.71 5.34 0.00 1.67 1.64 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.60 4.42 0.00 2.75 2.84 0.00 0.00 6.86 7.70 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 89 N 9.16 4.19 0.00 2.69 2.68 0.00 0.00 6.90 7.79 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 90 N 8.06 4.84 0.00 2.84 2.83 0.00 0.00 5.81 7.64 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 91 S 8.07 4.27 0.00 4.16 3.83 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 0.00 0.00 0.00 92 E 7.25 3.70 0.00 1.98 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 2.27 2.32 0.00 93 Q 7.64 4.52 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 94 P 0.00 4.53 0.00 2.05 2.10 0.00 3.73 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 2.11 2.21 0.00 95 I 8.31 3.99 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 1.23 0.76 0.90 0.00 0.00 96 G 7.30 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 97 T 8.20 4.10 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 98 R 9.24 4.11 0.00 1.89 2.09 0.00 3.66 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 99 I 7.93 4.33 1.79 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 1.28 0.43 0.80 0.00 0.00 100 F 8.34 4.95 0.00 2.95 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 0.00 101 G 8.91 3.89 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 0.00 102 P 0.00 4.23 0.00 1.79 2.05 0.00 3.46 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.33 0.00 103 V 7.87 4.50 2.03 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 0.70 0.00 0.00 0.92 0.00 0.00 104 T 8.17 4.39 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 1.33 0.00 0.00 105 R 8.66 4.01 0.00 1.96 2.15 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 106 E 8.20 4.12 0.00 2.16 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 2.30 0.00 107 L 7.84 4.10 0.00 1.68 1.85 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.96 4.33 0.00 2.13 1.96 0.00 3.36 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 109 S 7.67 4.28 0.00 4.15 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 0.00 110 E 8.52 4.19 0.00 1.95 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 2.32 2.40 0.00 111 K 7.66 4.42 0.00 1.37 1.58 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.34 7.81 112 F 7.59 4.63 0.00 3.15 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 0.00 113 M 7.76 3.30 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 114 K 7.97 3.78 0.00 1.71 2.02 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 115 I 7.57 4.01 1.85 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.92 0.94 0.00 0.00 116 I 7.76 3.94 1.89 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 1.56 0.78 0.92 0.00 0.00 117 S 8.22 4.32 0.00 4.01 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 0.00 118 L 7.81 4.60 0.00 1.65 1.58 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.57 3.62 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 P 0.00 4.61 0.00 2.06 2.05 0.00 3.74 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 2.04 2.12 0.00 121 E 8.29 4.50 0.00 1.90 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 2.14 2.20 0.00 122 V 7.95 2.81 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 0.81 0.00 0.00 1.07 0.00 0.00 *123 L 8.32 4.15 0.00 1.45 1.47 0.92 0.77 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.