NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6482 8.2133 109.7387 45.1934 0.0000 172.5927 *30 R 4.5987 8.0803 117.0176 55.9209 31.1254 175.4039 31 F 4.8468 8.6612 120.3363 55.4893 42.2183 174.0367 32 N 4.8429 8.4485 120.2959 50.6428 40.1808 171.9109 33 P 4.6250 0.0000 0.0000 62.7883 31.6196 176.6987 34 F 4.8364 7.8930 120.6930 56.8676 37.2997 173.5633 35 I 4.0226 7.9189 123.1309 60.7680 37.7735 174.8859 36 H 4.9126 8.8220 126.1772 54.6160 31.3363 173.0481 37 Q 4.8728 8.7770 127.5387 55.4412 30.2456 174.6590 38 Q 4.7619 8.9912 123.6563 54.1894 33.7634 173.8804 39 D 5.1275 8.5810 120.4644 52.5821 44.4955 174.6686 40 V 4.6717 8.6384 124.5237 61.3889 33.8074 173.8485 41 Y 5.0495 9.3562 126.3325 56.9642 39.7426 175.2744 42 V 4.9991 9.0330 116.1755 59.8435 36.7681 173.8497 43 Q 4.8344 8.6561 122.9271 54.4593 31.3400 176.4494 44 I 4.0996 8.5076 128.0569 60.1109 35.4459 175.7112 45 D 4.9480 8.1257 120.3055 52.5632 40.1301 176.9985 46 R 4.7393 7.5268 116.7551 54.3639 34.1002 174.7128 47 D 4.4134 8.5983 120.0716 54.5966 41.3118 176.9528 48 G 3.2398 8.1576 110.1654 45.3808 0.0000 172.3526 49 R 4.5907 8.0129 119.1276 54.1437 33.1041 174.1250 50 H 4.5274 8.9534 126.1978 56.5336 31.0066 174.3258 51 L 4.7008 8.6067 126.7002 52.9614 44.6520 175.8097 52 S 4.4540 8.6710 121.7896 57.3788 63.8259 171.9502 53 P 4.4448 0.0000 0.0000 63.0532 32.0066 176.0580 54 G 3.9205 9.0502 110.1301 45.8603 0.0000 172.5212 55 G 4.3544 7.9466 106.6324 44.5162 0.0000 173.2287 56 T 4.9482 8.7154 117.1119 61.4793 72.2779 172.7994 57 E 3.9467 8.9348 128.1548 54.9468 31.6822 174.3748 58 Y 4.5302 7.7632 122.9801 56.2100 42.0350 174.5829 59 T 4.9304 8.4364 119.5072 61.9041 70.9543 173.2442 60 L 4.9626 8.8702 126.0243 52.7730 46.2620 175.9451 61 D 4.9095 8.7796 121.2807 54.5457 42.0784 176.0543 62 G 4.2065 8.6686 108.2338 45.8104 0.0000 170.6671 63 Y 5.3018 8.8099 116.2600 56.1619 42.3306 176.3394 64 N 5.5971 9.2875 120.2876 51.2490 39.2137 175.6320 65 A 4.0846 8.6756 120.3569 55.1400 18.4780 178.3907 66 S 4.5010 8.3109 108.7297 58.1848 63.1821 174.8843 67 G 3.9432 8.3060 107.7592 46.1524 0.0000 174.0114 68 K 4.2545 8.5745 121.9229 55.3599 32.8553 176.0824 69 K 4.1059 8.5654 127.4422 56.6317 32.8667 175.5706 70 E 4.7830 8.9049 125.3013 54.6906 34.5714 173.5758 71 E 5.1725 8.7416 122.2285 54.3920 32.0517 175.3633 72 V 4.5711 8.8419 125.9495 60.2388 34.6548 174.3248 73 T 5.1160 8.6813 121.2681 61.7988 70.2620 173.6055 74 F 5.1290 8.3319 120.2080 55.7476 42.0653 172.9953 75 F 5.2536 9.1552 116.7936 55.6445 42.1894 174.5247 76 A 4.9606 8.9802 123.6848 49.9632 22.1357 177.1581 77 G 4.0848 9.1771 107.6499 45.9352 0.0000 173.3711 78 K 4.6875 7.4598 117.4158 54.9022 35.6591 175.4382 79 E 4.1905 8.5967 119.5863 56.2858 29.8982 177.1412 80 L 4.3483 8.5111 124.2135 53.3421 43.2749 176.6087 81 R 3.9920 8.2003 121.4650 55.5651 30.6509 175.9200 82 K 3.9063 8.5485 126.1448 58.3383 32.3992 176.1825 83 N 4.1054 9.2834 121.8192 53.2401 37.0892 174.4302 84 A 4.1408 7.4809 120.6327 52.4011 19.8706 176.3214 85 Y 5.1721 8.5690 117.3476 56.5433 40.4562 174.8559 86 L 5.3207 9.2109 123.1101 52.8094 46.2235 175.1996 87 K 4.3451 9.1380 124.0630 54.5916 34.4390 174.8347 88 V 4.4414 8.3514 128.2772 60.9796 33.6500 174.0712 89 K 4.8056 8.6826 129.8464 55.2941 33.8011 175.1519 90 A 5.1857 9.1358 128.2515 50.0278 23.1927 174.6754 91 K 4.8128 8.9606 119.4617 54.2645 35.0298 176.4412 92 G 3.7158 9.0341 115.3923 47.0829 0.0000 174.3004 93 K 4.3437 8.9217 123.5160 56.3025 32.8824 174.9842 94 Y 4.6863 8.0593 122.5598 55.9256 39.4573 174.9441 95 V 3.9713 8.2087 127.7465 63.0272 32.3812 174.6752 96 E 4.4250 9.1339 126.5164 57.6396 31.6144 176.3449 97 T 4.8641 7.5651 107.2837 59.8913 72.3791 172.7573 98 W 5.2830 8.3806 119.1838 54.9956 31.4284 174.4082 99 E 4.3790 8.8002 121.5988 54.7733 32.9291 173.7866 100 E 4.7845 9.0259 128.3336 56.5022 30.5005 175.8244 101 V 4.7258 8.8713 119.0763 59.6243 36.0198 175.1163 102 K 4.6543 8.4051 120.5253 54.8324 33.8517 177.7218 103 F 3.4894 8.9733 124.4007 61.2655 39.1333 176.6325 104 E 4.0326 8.2850 115.7527 58.2538 29.9253 177.0112 105 D 4.5446 7.4047 121.4958 52.2784 39.7494 174.3071 *107 P 3.9968 0.0000 0.0000 61.6868 34.3538 176.6711 108 D 4.1811 8.2820 121.2104 57.8965 40.7632 179.6374 109 S 4.0902 7.8411 114.7176 61.0964 62.7209 176.8568 110 V 3.3508 7.4163 120.8785 65.8515 31.3775 177.6444 111 Q 3.3160 7.9071 118.1912 59.1284 28.2601 179.3571 112 S 4.1284 7.5960 114.5490 61.5608 62.9014 176.5786 113 K 3.9753 7.4524 119.8923 58.3699 31.9312 178.5128 114 L 4.5809 7.9078 117.4566 54.8653 42.1409 176.7863 115 K 4.1753 8.0588 123.3302 57.1975 32.3959 176.5908 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 0 G 8.21 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.60 0.00 1.69 1.85 0.00 3.16 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 31 F 8.66 4.85 0.00 2.89 2.86 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 32 N 8.45 4.84 0.00 2.05 2.61 0.00 0.00 6.05 7.75 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 33 P 0.00 4.63 0.00 2.08 2.00 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 34 F 7.89 4.84 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 35 I 7.92 4.02 1.93 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 1.49 0.78 0.97 0.00 0.00 36 H 8.82 4.91 0.00 3.23 3.21 0.00 5.68 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.78 4.87 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 38 Q 8.99 4.76 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 39 D 8.58 5.13 0.00 2.54 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 0.00 0.00 0.00 40 V 8.64 4.67 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 1.01 0.00 0.00 0.89 0.00 0.00 41 Y 9.36 5.05 0.00 3.16 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 42 V 9.03 5.00 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 0.76 0.00 0.00 0.91 0.00 0.00 43 Q 8.66 4.83 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.48 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 44 I 8.51 4.10 1.83 0.00 0.00 0.53 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 0.34 0.65 0.00 0.00 45 D 8.13 4.95 0.00 2.75 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 46 R 7.53 4.74 0.00 1.79 1.81 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 47 D 8.60 4.41 0.00 2.62 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 48 G 8.16 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 0.00 0.00 0.00 49 R 8.01 4.59 0.00 1.68 1.53 0.00 3.03 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 50 H 8.95 4.53 0.00 3.13 3.19 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.61 4.70 0.00 1.85 1.54 0.96 0.50 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 52 S 8.67 4.45 0.00 4.04 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 53 P 0.00 4.44 0.00 2.20 2.10 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 54 G 9.05 3.92 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 0.00 0.00 0.00 55 G 7.95 4.35 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 0.00 56 T 8.72 4.95 4.20 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 0.75 0.00 0.00 57 E 8.93 3.95 0.00 1.61 1.46 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 1.62 1.47 0.00 58 Y 7.76 4.53 0.00 1.53 2.39 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 59 T 8.44 4.93 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 1.18 0.00 0.00 60 L 8.87 4.96 0.00 1.69 1.57 1.08 0.90 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 61 D 8.78 4.91 0.00 2.56 2.49 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 62 G 8.67 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 0.00 0.00 0.00 0.00 63 Y 8.81 5.30 0.00 3.05 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 64 N 9.29 5.60 0.00 2.94 3.15 0.00 0.00 6.75 6.60 0.00 0.00 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 A 8.68 4.08 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 66 S 8.31 4.50 0.00 4.02 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 67 G 8.31 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 68 K 8.57 4.25 0.00 1.85 1.99 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.42 7.81 69 K 8.57 4.11 0.00 1.86 1.65 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 0.87 7.81 70 E 8.90 4.78 0.00 1.78 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 2.32 2.37 0.00 71 E 8.74 5.17 0.00 1.92 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 0.00 2.18 2.25 0.00 72 V 8.84 4.57 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 0.82 0.00 0.00 1.01 0.00 0.00 73 T 8.68 5.12 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 1.09 0.00 0.00 74 F 8.33 5.13 0.00 3.11 3.07 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 75 F 9.16 5.25 0.00 2.91 2.99 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 76 A 8.98 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.18 4.08 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 0.00 0.00 0.00 78 K 7.46 4.69 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.51 7.81 79 E 8.60 4.19 0.00 2.01 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 2.31 2.35 0.00 80 L 8.51 4.35 0.00 1.27 1.34 0.19 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.20 3.99 0.00 1.84 1.79 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 K 8.55 3.91 0.00 2.00 1.70 0.00 2.04 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.05 7.81 83 N 9.28 4.11 0.00 2.79 2.81 0.00 0.00 6.99 7.27 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 84 A 7.48 4.14 1.29 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 0.00 0.00 0.00 85 Y 8.57 5.17 0.00 3.24 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 86 L 9.21 5.32 0.00 1.53 1.36 0.96 0.44 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 87 K 9.14 4.35 0.00 1.56 1.52 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.01 0.44 7.81 88 V 8.35 4.44 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 0.72 0.00 0.00 0.09 0.00 0.00 89 K 8.68 4.81 0.00 1.85 1.56 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.43 7.81 90 A 9.14 5.19 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 91 K 8.96 4.81 0.00 1.80 1.78 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.69 7.81 92 G 9.03 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 93 K 8.92 4.34 0.00 2.18 1.96 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 0.98 7.81 94 Y 8.06 4.69 0.00 3.00 3.09 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 0.00 0.00 0.00 95 V 8.21 3.97 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 0.84 0.00 0.00 1.02 0.00 0.00 96 E 9.13 4.43 0.00 1.73 1.89 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 1.98 2.13 0.00 97 T 7.57 4.86 4.10 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 1.14 0.00 0.00 98 W 8.38 5.28 0.00 3.22 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 99 E 8.80 4.38 0.00 1.87 1.69 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 2.18 2.14 0.00 100 E 9.03 4.78 0.00 2.29 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 2.42 2.64 0.00 101 V 8.87 4.73 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 0.84 0.00 0.00 1.20 0.00 0.00 102 K 8.41 4.65 0.00 1.97 1.93 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.40 7.81 103 F 8.97 3.49 0.00 2.34 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 0.00 104 E 8.29 4.03 0.00 2.12 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 0.00 2.28 2.30 0.00 105 D 7.40 4.54 0.00 2.68 2.63 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 *107 P 0.00 4.00 0.00 1.88 1.82 0.00 2.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.92 0.00 108 D 8.28 4.18 0.00 2.66 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 0.00 109 S 7.84 4.09 0.00 3.78 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 0.00 110 V 7.42 3.35 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 1.07 0.00 0.00 0.85 0.00 0.00 111 Q 7.91 3.32 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 1.17 2.02 0.00 112 S 7.60 4.13 0.00 3.91 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 0.00 113 K 7.45 3.98 0.00 0.94 0.74 0.00 1.49 0.00 0.00 0.99 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.06 1.19 7.81 114 L 7.91 4.58 0.00 1.83 2.05 1.20 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.06 4.18 0.00 1.90 2.20 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.