NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4254 0.0000 0.0000 62.3403 32.7720 175.5526 3 K 4.6117 8.5210 123.2949 54.4881 35.4992 169.9345 4 V 4.8933 8.6342 115.2410 59.8375 36.3060 174.2407 5 T 5.1320 8.0950 110.3280 60.1791 71.6337 173.8013 6 V 4.8387 8.8112 123.3134 61.6568 34.8918 173.9681 7 S 5.2554 9.0587 124.7608 57.3320 64.8908 173.3295 8 I 5.0348 8.8846 125.3364 59.3449 40.3264 174.4228 9 K 4.7899 9.2556 127.7943 54.5236 35.3149 174.6326 10 V 4.8005 8.5376 126.8427 61.2136 33.7181 175.0074 11 V 4.4391 9.1310 128.4393 60.2935 33.1163 172.4260 12 P 4.9290 0.0000 0.0000 62.3160 32.4048 177.0072 13 A 4.5483 8.7838 126.0079 50.7811 16.5258 176.8353 14 V 4.5406 7.5033 113.1594 58.1421 36.4851 175.6696 15 E 4.0910 8.7033 119.5997 56.4291 29.8402 177.6694 16 D 4.4678 9.0241 121.6883 57.1818 38.9456 179.6147 17 G 3.6577 8.0236 104.9592 46.1690 0.0000 174.4735 18 R 4.4653 8.1280 119.5498 55.9823 30.6206 177.1478 19 L 3.9264 7.5438 118.7252 59.3470 41.6970 178.7133 20 H 4.3428 8.1096 116.8615 58.4497 29.8903 176.8661 21 E 3.8044 7.9001 121.6867 59.0633 29.5173 178.5821 22 V 3.3635 7.6722 117.7879 66.2450 31.4816 177.9281 23 I 3.6930 7.4621 119.4420 64.3399 36.8129 178.0896 24 D 4.2873 8.1451 119.7860 57.5279 40.5542 179.2018 25 R 3.8130 7.7971 118.2224 58.8697 29.8782 178.8489 26 A 3.9953 7.9126 120.6139 55.3372 18.4181 179.7846 27 I 3.4042 7.7801 118.2951 64.3674 36.9412 178.2341 28 E 3.7644 7.9902 119.1226 59.0511 29.8100 178.5421 29 K 3.8157 8.1621 119.8098 59.5486 32.3416 178.6808 30 I 2.0000 7.3342 120.5225 63.7261 36.6288 178.4651 31 S 3.4147 7.1302 113.7810 60.3745 62.8720 175.8695 32 S 4.3460 7.2008 116.0493 59.4970 63.2166 175.1065 33 W 4.3555 7.7438 122.2745 58.0604 29.6217 175.7717 34 G 3.5635 7.9778 105.1283 45.4261 0.0000 173.3048 *36 K 4.2946 7.4592 118.7938 56.4790 34.0795 174.8215 37 Y 5.4714 8.0633 123.3628 55.8018 41.5159 173.6586 38 E 4.5069 9.2239 120.9225 54.5776 33.2703 174.1605 39 V 4.2615 8.6819 127.3357 62.0820 31.7536 175.4492 40 G 4.1743 8.9242 117.0639 42.7754 0.0000 172.1648 41 P 4.5282 0.0000 0.0000 64.6259 31.2446 177.7456 42 S 4.6529 7.6079 109.5524 57.9073 64.7009 172.5314 43 N 4.7517 7.3066 118.0606 52.8562 41.2142 173.1752 44 T 5.0354 8.7376 115.6674 62.1211 71.7349 173.5002 45 T 5.0562 8.8911 123.5216 62.2241 70.5476 174.3196 46 V 4.9903 8.9744 120.1283 59.6516 34.8938 174.3253 47 E 5.0066 8.5904 124.2661 54.7937 31.7591 175.7816 48 G 3.9855 8.1265 113.9360 45.7237 0.0000 171.1346 49 E 4.3986 8.1153 120.0619 55.5426 30.4308 177.6148 50 F 4.3411 9.1420 128.9481 61.6591 39.6141 176.2298 51 E 3.7330 8.4523 118.0097 59.0707 29.8307 177.9769 52 E 3.9376 8.6496 119.8170 59.3412 29.8560 180.1838 53 I 3.7034 7.5195 118.2677 61.5386 36.4976 177.7433 *55 D 4.4677 8.2364 122.3751 54.4718 42.7724 178.3628 56 R 3.4412 7.5413 118.1146 58.8178 29.6340 179.2583 57 V 3.7513 7.8802 118.6338 65.7027 31.3758 178.0907 58 K 3.9382 7.9716 117.8514 59.7185 31.9172 178.9046 59 E 4.0148 7.9028 118.6410 59.1533 29.2763 179.0233 60 L 4.1497 8.5147 120.6425 58.3049 42.1185 178.9230 61 A 4.2657 8.2343 120.4733 55.4455 18.1607 179.7976 62 R 3.9585 7.7208 115.0775 59.5505 29.9912 178.3413 63 Y 4.3017 8.3649 119.3679 60.8829 38.7811 178.2598 64 L 4.0532 8.3950 120.0994 57.2774 41.3050 179.0850 65 E 4.7113 8.0426 118.6322 58.7031 29.1257 179.1524 66 Q 3.8844 7.1814 118.1262 58.1972 28.6317 177.6837 67 F 4.8824 7.5686 116.7457 56.9616 40.1954 176.1009 68 A 4.5918 7.1218 121.9254 51.0481 22.0294 177.3345 69 K 4.1912 8.8212 123.3078 58.6285 32.7944 177.3705 70 R 4.7215 7.8300 119.1930 54.5505 33.3236 173.6998 71 F 5.3800 8.0558 119.4564 55.7662 41.0951 173.4619 72 V 4.1804 8.9278 121.3124 61.9944 33.0734 174.3983 73 L 5.3837 8.6401 128.8869 53.5116 44.5529 175.1501 74 Q 4.8199 9.3797 125.6404 54.0398 31.8985 174.4910 75 L 5.2239 8.6876 123.0623 52.9527 44.7794 175.5078 76 D 4.8246 9.2639 123.3038 52.7337 43.4163 174.0580 77 I 4.8937 8.3891 126.8912 59.8068 39.2970 174.9315 78 D 4.7364 9.1549 127.9433 53.1605 42.3322 174.1671 79 Y 4.3753 8.5506 127.9263 55.6062 40.6071 174.7803 80 K 4.4834 7.9097 126.5184 53.9781 35.2584 174.9779 81 A 4.1075 8.6357 129.4726 53.7907 18.6592 177.4629 82 G 3.8682 8.3603 112.0319 44.1912 0.0000 173.9915 83 G 4.0234 8.1353 106.5188 45.1206 0.0000 173.0583 84 I 4.7832 8.1720 120.0468 58.3880 41.2515 174.7718 85 T 4.7805 8.0724 115.4141 59.0387 73.3766 174.9532 86 I 3.8510 8.9034 122.7820 64.7421 37.1503 178.4503 87 E 3.9683 8.1669 119.4388 59.3922 29.2837 178.5259 88 E 4.0125 7.9243 117.3454 58.7995 29.5238 178.6698 89 K 4.3734 7.8927 117.1797 57.3858 32.9086 178.2518 90 V 4.6088 7.6217 110.3356 61.0247 33.5887 177.5498 91 S 4.0914 8.1727 114.7305 61.4919 62.3685 176.1996 92 K 3.5888 7.9149 121.5726 58.7832 31.6070 176.3398 93 Y 4.6416 7.5572 113.8790 57.5949 38.3374 175.8496 94 R 4.2168 7.9970 125.2366 56.7294 31.5054 174.7301 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 P 0.00 4.43 0.00 1.87 1.96 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 3 K 8.52 4.61 0.00 1.77 1.71 0.00 1.61 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.54 7.81 4 V 8.63 4.89 2.23 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 0.48 0.00 0.00 1.17 0.00 0.00 5 T 8.09 5.13 4.30 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 1.24 0.00 0.00 6 V 8.81 4.84 2.24 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 1.18 0.00 0.00 1.12 0.00 0.00 7 S 9.06 5.26 0.00 3.87 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 8 I 8.88 5.03 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.98 0.00 0.00 9 K 9.26 4.79 0.00 1.80 1.64 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.49 7.81 10 V 8.54 4.80 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 0.70 0.00 0.00 0.90 0.00 0.00 11 V 9.13 4.44 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 1.06 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.93 0.00 2.17 2.06 0.00 3.83 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 2.00 1.96 0.00 13 A 8.78 4.55 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 14 V 7.50 4.54 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 0.85 0.00 0.00 0.95 0.00 0.00 15 E 8.70 4.09 0.00 2.15 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 0.00 2.37 2.32 0.00 16 D 9.02 4.47 0.00 2.96 3.01 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 17 G 8.02 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 18 R 8.13 4.47 0.00 1.86 1.89 0.00 3.14 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 19 L 7.54 3.93 0.00 1.95 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.11 4.34 0.00 3.16 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.90 3.80 0.00 1.99 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 2.06 2.19 0.00 22 V 7.67 3.36 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 0.92 0.00 0.00 0.93 0.00 0.00 23 I 7.46 3.69 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.66 0.90 0.00 0.00 24 D 8.15 4.29 0.00 2.85 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 25 R 7.80 3.81 0.00 1.65 1.84 0.00 2.84 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 26 A 7.91 4.00 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 27 I 7.78 3.40 1.78 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 1.33 0.63 0.83 0.00 0.00 28 E 7.99 3.76 0.00 1.95 2.12 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 0.00 2.25 2.25 0.00 29 K 8.16 3.82 0.00 1.67 1.86 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.56 7.81 30 I 7.33 2.00 1.34 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.27 0.10 0.00 0.00 31 S 7.13 3.41 0.00 3.80 3.54 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 32 S 7.20 4.35 0.00 4.08 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 33 W 7.74 4.36 0.00 3.41 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 34 G 7.98 3.56 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 *36 K 7.46 4.29 0.00 1.91 1.78 0.00 1.70 0.00 0.00 2.04 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.41 7.81 37 Y 8.06 5.47 0.00 3.01 2.84 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 38 E 9.22 4.51 0.00 1.98 1.79 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 2.19 2.20 0.00 39 V 8.68 4.26 2.12 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 0.84 0.00 0.00 1.07 0.00 0.00 40 G 8.92 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 P 0.00 4.53 0.00 2.05 2.13 0.00 3.63 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 2.02 2.08 0.00 42 S 7.61 4.65 0.00 3.94 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 43 N 7.31 4.75 0.00 3.15 2.95 0.00 0.00 6.59 7.10 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 44 T 8.74 5.04 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 1.20 0.00 0.00 45 T 8.89 5.06 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 46 V 8.97 4.99 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 0.73 0.00 0.00 1.23 0.00 0.00 47 E 8.59 5.01 0.00 1.99 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 2.24 2.25 0.00 48 G 8.13 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 0.00 0.00 0.00 49 E 8.12 4.40 0.00 2.00 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 2.42 2.26 0.00 50 F 9.14 4.34 0.00 2.97 3.18 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 51 E 8.45 3.73 0.00 2.08 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 0.00 2.26 2.52 0.00 52 E 8.65 3.94 0.00 2.09 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 2.13 2.16 0.00 53 I 7.52 3.70 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 1.00 0.00 0.00 *55 D 8.24 4.47 0.00 2.71 2.60 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 0.00 0.00 0.00 56 R 7.54 3.44 0.00 0.67 0.66 0.00 2.38 0.00 0.00 2.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.00 57 V 7.88 3.75 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 1.12 0.00 0.00 1.06 0.00 0.00 58 K 7.97 3.94 0.00 1.95 1.84 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 59 E 7.90 4.01 0.00 2.09 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 0.00 2.32 2.27 0.00 60 L 8.51 4.15 0.00 2.23 2.10 1.05 1.04 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 61 A 8.23 4.27 1.57 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 62 R 7.72 3.96 0.00 2.00 2.08 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 63 Y 8.36 4.30 0.00 3.17 3.32 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 64 L 8.39 4.05 0.00 1.47 1.12 0.58 0.98 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 65 E 8.04 4.71 0.00 2.22 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 2.55 2.26 0.00 66 Q 7.18 3.88 0.00 0.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 67 F 7.57 4.88 0.00 2.99 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 68 A 7.12 4.59 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 69 K 8.82 4.19 0.00 1.77 1.90 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 70 R 7.83 4.72 0.00 1.86 1.73 0.00 3.16 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 71 F 8.06 5.38 0.00 3.06 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 V 8.93 4.18 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 0.96 0.00 0.00 73 L 8.64 5.38 0.00 2.04 1.69 1.09 0.90 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 74 Q 9.38 4.82 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 75 L 8.69 5.22 0.00 1.57 1.65 1.01 1.10 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 76 D 9.26 4.82 0.00 2.79 2.57 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 77 I 8.39 4.89 1.99 0.00 0.00 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 1.47 0.87 1.08 0.00 0.00 78 D 9.15 4.74 0.00 2.82 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 79 Y 8.55 4.38 0.00 2.87 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 80 K 7.91 4.48 0.00 1.73 1.49 0.00 1.77 0.00 0.00 2.01 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 81 A 8.64 4.11 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 82 G 8.36 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 0.00 0.00 0.00 83 G 8.14 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 84 I 8.17 4.78 1.84 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 1.52 0.79 0.90 0.00 0.00 85 T 8.07 4.78 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 1.26 0.00 0.00 86 I 8.90 3.85 1.97 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 1.44 0.63 0.93 0.00 0.00 87 E 8.17 3.97 0.00 2.03 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 2.37 2.40 0.00 88 E 7.92 4.01 0.00 2.12 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 2.34 2.35 0.00 89 K 7.89 4.37 0.00 1.90 1.91 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.58 7.81 90 V 7.62 4.61 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 0.98 0.00 0.00 0.97 0.00 0.00 91 S 8.17 4.09 0.00 4.03 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 92 K 7.91 3.59 0.00 1.40 0.74 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.41 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.15 1.36 7.81 93 Y 7.56 4.64 0.00 3.16 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 94 R 8.00 4.22 0.00 1.79 1.78 0.00 3.22 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.