NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8389 8.3001 120.7080 55.1271 33.3155 174.2059 2 A 4.8655 8.7069 123.2668 49.5318 22.8973 170.6830 3 V 4.9807 8.7954 119.9233 60.1914 35.9601 174.7222 4 I 5.1188 9.2526 125.3383 57.9510 38.7725 172.0644 5 A 5.0663 8.9795 130.5686 50.1792 23.4812 175.6244 6 D 5.2841 8.7144 118.4298 52.8516 40.7420 173.0892 7 P 4.4245 0.0000 0.0000 68.3310 30.7159 180.2242 8 E 4.2493 8.2711 119.8384 62.0435 29.6532 181.9660 9 T 4.0978 7.8921 115.1836 65.6174 68.5773 177.9118 10 A 4.2260 8.2648 126.2986 55.7522 18.2848 180.1468 11 Q 4.0707 8.1731 119.3031 60.6408 28.1753 181.3224 12 G 3.8781 8.1066 109.9508 48.1056 0.0000 176.5392 *13 F 4.1451 8.5098 125.5797 62.3571 37.9833 180.6347 14 R 4.7824 8.0327 125.2777 61.4927 28.8956 181.4789 15 L 4.2602 7.6105 121.7153 58.9451 41.0260 180.4864 16 A 4.4597 7.6790 117.6290 52.7304 18.3021 178.3396 17 G 3.8089 8.3965 109.1317 45.7066 0.0000 174.3094 18 L 4.5117 8.0407 124.6083 54.0669 43.8744 182.0168 19 E 4.5315 8.4391 116.9698 56.4785 28.2003 174.6685 20 G 4.3683 8.1342 113.6180 45.8428 0.0000 171.0485 *21 Y 4.8272 8.7457 123.3594 55.2643 41.0866 173.3595 22 G 4.4296 8.7378 110.5133 44.2370 0.0000 172.7254 23 A 4.8318 9.3127 127.3109 50.9302 23.2685 177.1346 24 S 4.6937 8.4896 116.2660 57.5881 64.1917 176.3078 25 S 4.7164 8.0195 118.1547 58.9005 66.9789 178.2404 26 A 4.5334 8.6286 129.3200 56.1142 18.1819 180.6974 27 E 3.9571 8.2827 117.6807 61.8696 29.8715 181.5416 28 E 4.1592 8.2850 118.9321 61.1883 29.6774 180.7991 29 A 4.2445 8.5491 124.7375 55.8563 18.3907 180.4607 30 Q 4.1784 8.2539 121.4996 60.7017 28.0313 181.8255 31 S 4.4028 8.1987 122.0726 64.0863 62.2805 180.3221 32 L 4.2587 8.1960 128.9996 59.9020 40.6268 181.6638 33 L 4.2601 8.3876 126.3500 59.9968 40.7385 181.7435 34 E 4.2038 8.3578 121.7649 61.8085 29.6366 181.4846 35 T 4.1526 8.2512 118.7382 66.6114 68.5063 178.6224 36 L 4.2633 8.2855 128.0807 60.0187 40.6683 182.2702 37 V 3.9815 8.1446 122.2519 66.5705 31.6123 180.5513 38 E 4.4275 8.5728 120.9321 61.4258 29.6562 181.6939 39 R 4.3851 7.9138 120.3926 61.0046 29.6487 179.7053 40 G 4.1703 8.3039 108.3948 46.2238 0.0000 175.0025 41 G 3.8096 8.2262 108.6481 46.5312 0.0000 173.3466 *42 Y 4.4366 7.5782 118.2141 55.4645 38.5304 180.2037 43 A 4.6303 8.4450 126.6516 52.7184 20.8497 177.2514 44 L 4.8677 7.5058 117.7559 54.5081 45.6876 180.6778 45 V 4.8227 8.6754 121.3098 59.1787 35.5382 173.1357 46 A 5.0207 9.3115 131.7040 50.2914 20.8257 176.7551 47 V 4.8131 8.8974 124.5174 59.7368 35.7413 172.4436 48 D 4.8060 9.0793 128.8427 54.3124 40.2552 175.7879 49 E 3.9527 9.3345 119.6594 57.7720 30.0191 176.4001 50 A 4.0811 8.2002 122.0063 55.3803 18.6038 178.5749 51 L 4.4963 8.1759 117.1011 55.2061 42.2979 181.1414 52 L 5.0497 7.5110 118.2406 53.7221 41.2181 181.0852 53 P 4.5166 0.0000 0.0000 64.5567 31.7369 178.9804 54 D 4.7426 7.7090 117.1442 51.7255 40.7115 179.8070 55 P 4.7172 0.0000 0.0000 65.3054 31.3746 177.5108 56 E 4.3747 8.0382 118.7442 62.5527 30.2805 184.7357 57 R 4.1892 8.1201 121.2664 61.0986 28.9502 180.4867 58 A 4.2197 7.6482 121.4342 56.3143 18.6333 180.2578 59 V 3.7475 7.8996 120.5298 67.1826 30.2127 181.1926 60 E 4.1298 8.4165 121.0920 61.5597 29.5997 182.7491 61 R 4.5665 7.8499 123.1511 61.4858 29.5935 180.8255 62 L 4.4030 8.2176 124.3834 59.6417 41.1991 180.7673 63 M 4.1912 6.1693 114.5378 55.5342 38.1079 178.7357 64 R 4.6803 7.8700 108.2076 56.3946 29.9803 170.6024 65 G 3.8414 7.7223 113.3415 45.6662 0.0000 172.4468 66 R 4.2445 8.6138 115.5224 56.7885 28.5358 172.0121 67 D 4.5841 8.5297 119.9851 53.7564 40.2459 177.8059 68 L 4.5557 8.3652 127.3626 51.6917 42.4003 171.7201 69 P 4.4500 0.0000 0.0000 63.8007 31.1193 177.2806 70 V 3.8517 8.5978 126.1558 61.6014 33.0331 172.8303 71 L 5.1404 8.5763 126.3996 53.7353 44.1132 177.0572 72 L 4.6893 8.9325 129.6676 51.7815 43.6949 171.0073 73 P 4.9190 0.0000 0.0000 62.6753 31.5377 174.1128 74 I 4.7549 9.2221 124.4018 57.1805 39.6291 172.2599 75 A 4.2774 8.7534 126.9832 52.6957 18.6700 176.7497 76 G 4.1056 8.5622 108.4240 45.8431 0.0000 172.4351 77 L 5.2525 8.4543 121.9485 54.4861 41.7398 176.9529 78 K 4.0605 8.8243 118.1984 59.9232 30.8396 176.8418 79 E 4.2513 8.1483 112.6648 57.2276 29.8409 180.6678 80 A 3.9287 7.6091 121.7121 54.3269 19.3054 178.8490 *81 F 4.4527 7.9258 116.6221 58.8148 39.2595 183.8524 82 Q 4.4730 7.5497 116.3100 55.5139 28.5184 179.1040 83 G 4.3439 7.2989 117.0179 47.3319 0.0000 176.4477 *84 H 4.6024 8.8357 122.6285 55.6265 30.4219 171.2009 85 D 4.5462 8.2060 121.9849 55.8991 40.5111 180.1802 86 V 4.2469 9.2245 132.7661 59.8744 39.4597 174.8105 87 E 3.6580 8.2658 119.9123 60.2760 31.3647 180.2486 88 G 4.0045 8.9988 108.5220 47.4078 0.0000 176.0674 *89 Y 4.1072 7.9944 124.9430 62.9352 36.6525 181.6905 90 M 4.3931 8.0839 123.1157 60.1930 31.6906 181.9793 91 R 4.2163 7.9322 123.9110 62.1497 29.5252 181.4987 92 E 4.2707 8.5619 121.8122 61.5338 29.8998 181.6730 93 L 4.4153 8.1634 126.0211 59.7953 40.9814 182.3426 94 V 4.0100 8.0219 122.0100 66.4071 31.6666 182.1484 95 R 4.7363 8.1836 125.2696 61.3019 28.9914 181.3280 96 K 4.1515 8.2852 126.3357 61.5916 31.7112 180.6704 97 T 4.3554 7.9369 117.3537 65.6392 68.2831 178.6855 98 I 4.3004 7.7117 125.9854 62.0430 36.1870 174.5735 99 G 3.8008 8.1695 116.9835 47.4981 0.0000 173.6014 *100 F 5.1268 8.0791 135.0000 56.8057 40.2976 170.9603 101 D 4.7266 8.1787 130.2570 51.9605 37.8429 173.2148 102 I 3.9889 7.7452 124.7562 59.8319 36.5641 178.4766 103 K 4.3868 8.3996 128.2288 54.5235 29.5769 177.3485 104 L 4.3107 7.8258 124.2230 54.1117 40.9551 177.4556 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 1 M 8.30 4.84 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 A 8.71 4.87 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 3 V 8.80 4.98 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 0.72 0.00 0.00 0.93 0.00 0.00 4 I 9.25 5.12 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 1.16 0.68 0.91 0.00 0.00 5 A 8.98 5.07 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 6 D 8.71 5.28 0.00 2.62 2.56 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 7 P 0.00 4.42 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 8 E 8.27 4.25 0.00 1.97 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 0.00 2.31 1.95 0.00 9 T 7.89 4.10 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 10 A 8.26 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 4.07 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 12 G 8.11 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 *13 F 8.51 4.15 0.00 2.29 2.31 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 14 R 8.03 4.78 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 15 L 7.61 4.26 0.00 1.69 1.61 0.92 1.09 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 16 A 7.68 4.46 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 17 G 8.40 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 0.00 0.00 0.00 18 L 8.04 4.51 0.00 1.34 1.56 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.44 4.53 0.00 1.65 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 2.26 1.88 0.00 20 G 8.13 4.37 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 0.00 *21 Y 8.75 4.83 0.00 1.98 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 0.00 0.00 0.00 0.00 22 G 8.74 4.43 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 0.00 23 A 9.31 4.83 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.49 4.69 0.00 3.59 3.67 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 25 S 8.02 4.72 0.00 3.68 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 26 A 8.63 4.53 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 27 E 8.28 3.96 0.00 1.99 1.98 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 2.32 1.95 0.00 28 E 8.29 4.16 0.00 1.96 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 1.97 0.00 29 A 8.55 4.24 1.40 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 0.00 0.00 30 Q 8.25 4.18 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 31 S 8.20 4.40 0.00 3.74 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.20 4.26 0.00 1.64 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.39 4.26 0.00 1.60 1.72 0.92 0.91 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 34 E 8.36 4.20 0.00 1.98 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 0.00 2.24 2.20 0.00 35 T 8.25 4.15 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 36 L 8.29 4.26 0.00 1.63 1.71 0.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.14 3.98 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 0.90 0.00 0.00 0.93 0.00 0.00 38 E 8.57 4.43 0.00 2.03 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 2.26 2.19 0.00 39 R 7.91 4.39 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 40 G 8.30 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 0.00 0.00 0.00 0.00 41 G 8.23 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 0.00 0.00 0.00 *42 Y 7.58 4.44 0.00 2.34 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 0.00 0.00 0.00 0.00 43 A 8.44 4.63 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 44 L 7.51 4.87 0.00 1.30 1.47 0.92 0.85 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 45 V 8.68 4.82 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 0.68 0.00 0.00 0.93 0.00 0.00 46 A 9.31 5.02 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 47 V 8.90 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 48 D 9.08 4.81 0.00 2.35 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 49 E 9.33 3.95 0.00 1.88 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 0.00 2.24 2.14 0.00 50 A 8.20 4.08 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 51 L 8.18 4.50 0.00 1.58 1.66 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.51 5.05 0.00 1.63 1.44 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.52 0.00 2.08 1.99 0.00 3.66 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 1.94 1.58 0.00 54 D 7.71 4.74 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.72 0.00 2.07 2.06 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 56 E 8.04 4.37 0.00 1.97 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 0.00 2.28 1.93 0.00 57 R 8.12 4.19 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 58 A 7.65 4.22 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 59 V 7.90 3.75 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 0.76 0.00 0.00 0.93 0.00 0.00 60 E 8.42 4.13 0.00 1.99 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 2.25 2.26 0.00 61 R 7.85 4.57 0.00 1.94 1.87 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 62 L 8.22 4.40 0.00 1.73 1.63 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 M 6.17 4.19 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.08 0.00 64 R 7.87 4.68 0.00 1.77 1.71 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 65 G 7.72 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 66 R 8.61 4.24 0.00 2.02 1.94 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.00 67 D 8.53 4.58 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.56 0.00 1.65 1.47 0.92 0.88 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 69 P 0.00 4.45 0.00 1.84 1.91 0.00 3.73 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 1.95 1.63 0.00 70 V 8.60 3.85 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 0.61 0.00 0.00 0.93 0.00 0.00 71 L 8.58 5.14 0.00 1.37 1.44 0.92 0.76 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 72 L 8.93 4.69 0.00 1.28 1.57 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.92 0.00 1.85 1.87 0.00 3.65 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 1.94 1.60 0.00 74 I 9.22 4.75 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 1.16 0.68 0.91 0.00 0.00 75 A 8.75 4.28 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 76 G 8.56 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 77 L 8.45 5.25 0.00 1.55 1.35 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.82 4.06 0.00 1.67 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 79 E 8.15 4.25 0.00 1.89 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 1.87 0.00 80 A 7.61 3.93 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 *81 F 7.93 4.45 0.00 2.20 2.28 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 82 Q 7.55 4.47 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 83 G 7.30 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 *84 H 8.84 4.60 0.00 2.89 2.87 0.00 7.24 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.21 4.55 0.00 2.69 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 86 V 9.22 4.25 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 0.59 0.00 0.00 0.93 0.00 0.00 87 E 8.27 3.66 0.00 2.00 2.00 0.00 0.00 0.00 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 2.00 0.00 88 G 9.00 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 *89 Y 7.99 4.11 0.00 2.33 2.34 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 90 M 8.08 4.39 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 91 R 7.93 4.22 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 92 E 8.56 4.27 0.00 1.96 1.98 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 2.24 2.19 0.00 93 L 8.16 4.42 0.00 1.66 1.71 0.92 0.89 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 94 V 8.02 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 95 R 8.18 4.74 0.00 1.81 1.98 0.00 3.25 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 96 K 8.29 4.15 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.36 7.81 97 T 7.94 4.36 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 98 I 7.71 4.30 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 1.45 1.10 0.91 0.00 0.00 99 G 8.17 3.80 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 0.00 *100 F 8.08 5.13 0.00 2.33 2.30 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 0.00 101 D 8.18 4.73 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 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 1.27 1.10 0.91 0.00 0.00 103 K 8.40 4.39 0.00 1.77 1.66 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.00 7.81 104 L 7.83 4.31 0.00 1.66 1.46 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.