NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2467 8.3344 116.7851 58.5824 65.4867 173.3189 -7 D 5.1640 7.4725 124.7101 52.2283 41.1610 174.7021 -6 P 4.0300 0.0000 0.0000 65.5482 32.2311 177.9519 -5 S 4.8826 8.0768 111.3096 59.0062 63.2166 174.7477 -4 S 4.7355 8.2410 116.1804 58.2505 63.9542 176.0727 -3 I 4.2558 7.7154 122.5963 63.7813 37.3856 177.7313 -2 N 5.0109 7.6266 116.0942 52.4509 39.5436 176.5229 -1 G 4.0418 7.8972 103.6834 45.0974 0.0000 172.2359 -7 G 4.4840 7.4625 113.1101 43.1283 0.0000 173.3021 -6 I 3.7800 9.3061 128.6033 63.3482 38.9311 177.0519 -5 V 4.5326 7.7968 114.8096 62.9062 32.3166 176.4477 -4 V 4.3855 7.9610 119.6804 62.1505 33.0542 177.7727 -3 A 4.4058 7.9554 126.4963 55.1813 17.6856 179.1313 -2 M 4.7509 7.5066 116.9942 54.7509 33.5436 177.6230 -1 T 4.4318 7.7172 108.4834 61.7974 67.9525 172.0359 8 G 3.8814 8.6359 112.9028 44.5681 0.0000 172.4931 9 K 4.0887 8.7128 124.4279 56.2657 31.4200 176.9511 10 D 4.4573 8.6110 127.9278 54.5912 38.5685 173.3439 11 C 4.6981 7.4653 110.1359 57.6978 32.1758 172.4355 12 V 5.0085 7.8926 111.9640 59.8677 35.4023 174.5931 13 A 4.6880 8.4097 123.2694 50.2259 22.1708 175.3709 14 I 5.2595 8.1578 120.0208 59.4145 40.8925 174.0449 15 A 4.9902 8.5107 129.6591 50.6605 22.4770 174.1898 16 C 5.4033 8.2681 112.1290 57.5615 32.4756 173.4670 17 D 4.7311 8.5498 120.3044 52.8845 40.8919 175.7636 18 L 5.1888 8.0411 115.5003 53.5792 43.3917 176.9951 19 R 4.5088 8.0223 119.6962 56.6453 31.2527 176.1776 20 L 4.2243 8.5967 127.0928 54.5629 44.8065 174.0957 21 G 4.3865 8.3227 113.8758 44.4631 0.0000 171.1049 22 S 4.6431 8.9161 113.4013 56.9296 63.9340 174.9529 23 Q 3.4638 8.2433 130.1080 56.7393 27.0582 177.3961 24 S 4.1349 8.8018 121.0217 61.5477 63.2858 173.8956 25 L 4.1232 7.8704 124.0757 53.9827 41.7063 176.0391 26 G 3.9692 8.5808 116.1550 45.4994 0.0000 172.4625 27 V 4.2018 8.4036 122.3982 63.4227 33.7573 175.8484 28 S 4.6711 8.5375 113.8578 56.6661 65.2075 173.4921 29 N 5.2098 8.8429 124.0694 52.8062 37.4564 174.8218 30 K 4.5905 7.9079 114.5204 56.8049 34.6758 176.7888 31 F 4.5196 8.5682 125.1813 57.4687 39.0656 174.4365 32 E 4.2056 8.1968 124.7884 55.6268 30.4826 176.7313 33 K 4.2589 8.3213 120.0598 56.0052 34.1508 175.0499 34 I 4.7662 7.0396 120.8613 59.5536 39.2772 174.8016 35 F 4.9720 9.3216 124.1758 56.1796 44.0819 173.3538 36 H 4.8210 7.4498 112.9068 53.7325 30.7542 172.5054 *38 Y 4.6545 7.7930 117.6150 58.6791 38.9695 175.6505 39 G 3.9094 8.0993 117.1405 47.3298 0.0000 172.9944 40 H 4.6577 8.9634 120.3642 54.9525 28.9617 174.2064 41 V 4.2015 7.4858 121.7717 61.7378 33.0019 174.4803 42 F 4.9740 9.2066 126.9605 55.7693 41.6814 174.6074 43 L 5.3004 9.4838 124.8382 53.4840 45.1491 175.2013 44 G 4.5582 9.5527 113.9646 44.8438 0.0000 172.3620 45 I 5.1610 8.9848 123.8761 59.7355 40.8033 175.1600 46 T 4.4696 8.3523 117.2342 60.0597 71.7276 172.3279 47 G 4.1827 8.7831 104.9990 43.8718 0.0000 173.1893 48 L 4.1271 8.9645 124.0721 54.9611 42.6325 178.2562 49 A 4.1577 10.0752 128.7081 55.9640 18.1180 179.0067 50 T 3.8134 7.9822 110.7124 65.5502 67.3737 175.7838 51 D 4.3888 8.1695 120.3392 56.8375 40.9882 178.6501 52 V 3.6494 7.9234 118.9662 66.3560 31.6134 178.1393 53 T 3.7999 8.2686 115.4222 67.0238 68.3901 176.5696 54 T 3.7528 7.9784 117.5431 66.8384 68.4230 176.6341 55 L 3.3695 8.0635 120.8944 57.4253 41.5379 179.1467 56 N 4.3211 7.6936 118.3654 56.2034 38.8656 176.8969 57 E 3.9898 8.0056 119.9577 59.3339 29.4456 179.0909 58 M 3.7474 7.6816 118.4846 58.5427 32.1969 178.2722 59 F 4.4270 7.9140 117.8433 59.8471 39.0532 177.9654 60 R 3.8868 8.0562 118.9367 59.4416 29.9327 177.7218 61 Y 4.0490 7.9181 119.1470 60.8516 38.7057 178.4221 62 K 4.2821 8.4542 119.6388 59.6945 32.2746 179.5768 63 T 3.9454 8.2674 110.1490 64.4331 68.6748 176.6477 64 N 4.3487 8.3068 119.6857 56.3678 38.6668 177.3031 65 L 3.9884 7.7638 119.9485 57.8415 41.7048 178.8040 66 Y 4.0366 8.4113 119.8303 60.7253 38.6306 178.3186 67 K 4.5116 8.3017 121.7159 59.1323 32.1138 178.7771 68 L 3.9979 7.7143 118.1600 57.4313 41.5401 179.3896 69 K 4.1087 7.8180 117.4334 59.3937 32.4405 179.0648 70 E 3.8760 8.2388 117.3505 56.7891 29.5526 176.7302 71 E 3.8493 8.6954 117.5128 56.7797 27.3324 174.0800 72 R 4.4560 7.3644 110.8933 55.3668 31.8228 173.4217 73 A 4.4249 8.5131 122.3698 51.3546 19.3794 177.6087 74 I 3.6732 8.1621 121.9591 61.1115 38.6887 176.0020 75 E 4.5386 8.3630 125.5721 54.3837 32.3130 175.6942 76 P 4.3567 0.0000 0.0000 66.1642 31.2689 178.7800 77 E 3.9893 8.1966 116.4783 59.8672 29.4525 179.5520 78 T 3.9030 7.8448 115.1844 66.5575 68.6063 176.4636 79 F 4.0503 8.5350 122.9773 61.4682 39.3640 177.1994 80 T 3.6879 8.0636 115.4536 66.7557 68.1760 176.5822 81 Q 3.9257 7.7354 119.8899 58.7375 28.7238 178.4472 82 L 3.8620 7.6885 121.4457 57.8839 41.9904 179.2816 83 V 3.2434 7.5050 118.5762 65.7928 31.3929 177.6866 84 S 4.0793 7.9019 113.1258 61.7120 62.3377 176.4988 85 S 4.1925 8.2425 116.7289 61.5090 62.5390 176.5450 86 S 4.2145 8.0006 118.1624 61.1613 62.8197 176.4204 87 L 4.2304 8.2506 121.9667 58.1039 41.5684 178.9055 88 Y 3.8044 8.2434 119.2635 60.2362 38.4368 177.3591 89 E 4.1466 8.0655 118.8410 57.8049 29.8725 177.0353 90 R 4.4350 7.5544 118.2903 55.7404 31.0380 177.9622 91 R 3.1274 7.0878 120.6547 59.0918 29.7783 176.9922 92 F 4.7991 7.4151 112.5821 56.8708 39.6591 176.9829 93 G 4.1094 7.5847 107.2198 43.8255 0.0000 172.1717 94 P 4.0256 0.0000 0.0000 62.5107 32.4385 175.9400 95 Y 4.2136 7.7666 117.2831 57.7061 38.8874 176.7986 96 F 4.7230 9.0653 125.1381 56.4658 37.6353 174.7477 97 V 5.0571 7.8706 114.1466 59.5806 36.4640 175.9430 98 G 4.2027 8.9407 108.6011 43.6452 0.0000 170.5092 99 P 4.8881 0.0000 0.0000 63.1547 33.0763 175.9840 100 V 4.4652 8.9138 121.6525 61.5955 35.0441 173.6696 101 V 5.1030 8.6247 127.3114 61.2693 33.5762 174.5163 102 A 4.7590 9.4207 128.5581 49.8205 22.8311 175.4612 103 G 4.3523 7.7881 107.6790 46.7148 0.0000 171.8128 104 I 4.6239 8.1359 120.1140 58.9214 39.6506 175.6475 105 N 5.0209 8.8288 121.9423 53.4708 38.7411 174.2737 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.47 5.16 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 P 0.00 4.03 0.00 1.27 1.34 0.00 3.30 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.52 0.00 -5 S 8.08 4.88 0.00 4.08 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 -4 S 8.24 4.74 0.00 3.80 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 -3 I 7.72 4.26 1.84 0.00 0.00 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 1.38 0.43 0.88 0.00 0.00 -2 N 7.63 5.01 0.00 2.77 2.77 0.00 0.00 7.60 7.59 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 -1 G 7.90 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 0.00 0.00 0.00 -7 G 7.46 4.48 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 0.00 -6 I 9.31 3.78 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 1.41 0.77 0.91 0.00 0.00 -5 V 7.80 4.53 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 7.96 4.39 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 0.92 0.00 0.00 0.93 0.00 0.00 -3 A 7.96 4.41 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 -2 M 7.51 4.75 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 -1 T 7.72 4.43 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 8 G 8.64 3.88 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 0.00 0.00 0.00 9 K 8.71 4.09 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 10 D 8.61 4.46 0.00 2.84 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 11 C 7.47 4.70 0.00 3.01 2.96 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 12 V 7.89 5.01 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 0.69 0.00 0.00 0.89 0.00 0.00 13 A 8.41 4.69 1.10 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 0.00 0.00 14 I 8.16 5.26 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.74 0.00 0.00 15 A 8.51 4.99 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 16 C 8.27 5.40 0.00 3.06 2.83 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 17 D 8.55 4.73 0.00 2.83 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 18 L 8.04 5.19 0.00 1.62 1.79 0.98 0.98 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 19 R 8.02 4.51 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 L 8.60 4.22 0.00 1.56 1.41 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.32 4.39 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 0.00 22 S 8.92 4.64 0.00 3.72 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 23 Q 8.24 3.46 0.00 2.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.80 4.13 0.00 3.97 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 25 L 7.87 4.12 0.00 1.78 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.58 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 0.00 0.00 0.00 27 V 8.40 4.20 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 0.81 0.00 0.00 0.98 0.00 0.00 28 S 8.54 4.67 0.00 3.83 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 29 N 8.84 5.21 0.00 2.86 2.87 0.00 0.00 5.93 7.13 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 30 K 7.91 4.59 0.00 1.62 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.57 4.52 0.00 3.18 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 32 E 8.20 4.21 0.00 1.59 1.60 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 0.00 2.21 2.38 0.00 33 K 8.32 4.26 0.00 1.61 1.96 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.50 7.81 34 I 7.04 4.77 1.72 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 1.20 0.76 1.01 0.00 0.00 35 F 9.32 4.97 0.00 2.73 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 36 H 7.45 4.82 0.00 2.03 1.70 0.00 5.85 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 *38 Y 7.79 4.65 0.00 2.71 2.85 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 39 G 8.10 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 40 H 8.96 4.66 0.00 3.33 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.49 4.20 1.77 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 0.71 0.00 0.00 0.68 0.00 0.00 42 F 9.21 4.97 0.00 3.21 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 43 L 9.48 5.30 0.00 2.06 1.80 1.15 1.34 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 44 G 9.55 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.98 5.16 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.05 1.05 0.00 0.00 46 T 8.35 4.47 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 1.28 0.00 0.00 47 G 8.78 4.18 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 0.00 48 L 8.96 4.13 0.00 1.98 1.76 0.98 1.66 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 49 A 10.08 4.16 1.10 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 0.00 0.00 50 T 7.98 3.81 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 1.29 0.00 0.00 51 D 8.17 4.39 0.00 3.06 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 52 V 7.92 3.65 2.61 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 1.40 0.00 0.00 1.22 0.00 0.00 53 T 8.27 3.80 4.45 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 1.26 0.00 0.00 54 T 7.98 3.75 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 1.05 0.00 0.00 55 L 8.06 3.37 0.00 1.55 1.55 0.83 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.69 4.32 0.00 1.47 2.36 0.00 0.00 6.91 7.69 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 57 E 8.01 3.99 0.00 2.11 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 2.30 2.38 0.00 58 M 7.68 3.75 0.00 1.48 1.61 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 59 F 7.91 4.43 0.00 2.89 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 60 R 8.06 3.89 0.00 2.21 2.14 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 61 Y 7.92 4.05 0.00 3.18 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 62 K 8.45 4.28 0.00 2.00 1.98 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.56 1.67 7.81 63 T 8.27 3.95 4.18 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 0.97 0.00 0.00 64 N 8.31 4.35 0.00 2.97 2.87 0.00 0.00 6.87 6.06 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 65 L 7.76 3.99 0.00 1.90 1.76 1.00 0.97 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 66 Y 8.41 4.04 0.00 3.15 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 67 K 8.30 4.51 0.00 2.12 1.99 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.58 7.81 68 L 7.71 4.00 0.00 1.85 1.70 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.82 4.11 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.57 7.81 70 E 8.24 3.88 0.00 1.59 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 1.61 1.47 0.00 71 E 8.70 3.85 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 2.36 0.00 72 R 7.36 4.46 0.00 1.99 2.00 0.00 3.03 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 73 A 8.51 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 74 I 8.16 3.67 1.04 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.21 0.67 0.00 0.00 75 E 8.36 4.54 0.00 2.05 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 2.43 2.39 0.00 76 P 0.00 4.36 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.20 3.99 0.00 2.07 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 2.42 2.49 0.00 78 T 7.84 3.90 4.33 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 1.23 0.00 0.00 79 F 8.53 4.05 0.00 3.02 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 80 T 8.06 3.69 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 1.16 0.00 0.00 81 Q 7.74 3.93 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 82 L 7.69 3.86 0.00 1.66 1.47 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.50 3.24 1.82 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 0.86 0.00 0.00 -0.52 0.00 0.00 84 S 7.90 4.08 0.00 3.97 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 85 S 8.24 4.19 0.00 4.11 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 0.00 86 S 8.00 4.21 0.00 4.25 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 87 L 8.25 4.23 0.00 1.90 1.75 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.24 3.80 0.00 3.15 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 89 E 8.07 4.15 0.00 2.19 2.20 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 2.29 2.34 0.00 90 R 7.55 4.43 0.00 1.71 1.66 0.00 2.98 0.00 0.00 2.86 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.00 91 R 7.09 3.13 0.00 0.67 1.06 0.00 2.62 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.42 4.80 0.00 3.00 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 93 G 7.58 4.11 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 0.00 94 P 0.00 4.03 0.00 1.82 1.78 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.78 0.00 95 Y 7.77 4.21 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 96 F 9.07 4.72 0.00 3.08 3.05 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 97 V 7.87 5.06 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 0.81 0.00 0.00 1.07 0.00 0.00 98 G 8.94 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 0.00 0.00 0.00 0.00 99 P 0.00 4.89 0.00 1.99 2.08 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 8.91 4.47 2.14 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 0.81 0.00 0.00 0.98 0.00 0.00 101 V 8.62 5.10 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 1.05 0.00 0.00 1.06 0.00 0.00 102 A 9.42 4.76 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 0.00 103 G 7.79 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 0.00 104 I 8.14 4.62 1.91 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 0.74 0.93 0.00 0.00 105 N 8.83 5.02 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 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.