NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4510 8.3044 120.3214 54.6573 33.1624 176.6716 2 L 4.6143 5.6200 125.5847 53.1370 47.1275 172.5574 3 Q 5.0025 9.9719 127.1973 54.5598 32.0750 173.1494 4 Y 5.5012 9.0990 124.3280 56.5438 40.8861 174.8587 5 R 4.8692 9.1408 123.4068 54.8414 32.1800 175.1829 6 I 4.9568 8.9583 125.8874 59.4256 40.3124 174.7665 7 I 4.9155 8.7028 127.6069 59.4818 40.0218 174.5786 8 V 4.7545 8.8468 127.4158 61.1709 33.8986 173.9322 9 D 5.0120 9.5801 126.3511 52.3725 44.8760 173.4979 10 G 3.8864 8.2540 107.7364 44.7972 0.0000 176.0025 11 R 4.2763 8.4601 119.1675 55.1279 28.5348 177.0188 12 V 4.3094 7.7907 111.2719 59.9795 33.4211 175.3867 13 Q 4.6274 7.5166 118.6709 55.0657 32.0098 175.5455 14 G 4.0557 8.9805 106.9905 46.9057 0.0000 174.3920 15 V 4.4976 7.1763 106.6035 60.3384 33.1693 176.0002 16 G 4.1168 8.4899 106.6974 47.0262 0.0000 176.5562 17 F 4.1770 8.5058 123.7213 60.9270 39.4255 176.7732 18 R 4.1114 8.2884 117.3731 59.4305 29.9327 178.0525 19 Y 4.1493 8.2526 118.8144 60.7433 38.8303 177.7942 20 F 3.8758 8.3091 121.3815 61.3046 39.4307 177.1851 21 V 3.0629 7.8504 118.0456 65.8415 31.2079 177.7183 22 Q 3.7773 8.1724 119.3237 59.4020 28.8358 178.1574 23 M 3.8131 7.6740 119.7440 58.2576 31.9156 178.6549 24 E 3.6996 7.6781 118.4372 59.1520 29.5276 179.2362 25 A 3.2602 7.8587 121.1495 54.9446 18.2230 179.4720 26 D 4.1516 8.0088 117.7010 57.2200 40.6604 178.6424 27 K 3.7971 7.7655 119.1549 59.4959 32.1910 178.0189 28 R 4.2342 7.5774 114.5745 54.7590 30.5123 176.3013 29 K 3.7479 7.5870 117.0582 57.3445 30.2343 175.1792 30 L 4.5344 7.8131 116.9779 53.2284 43.4632 176.4679 31 A 5.0823 9.7724 124.4572 50.5036 22.4632 175.1659 32 G 3.8065 7.1166 108.5595 43.9571 0.0000 172.7770 33 W 4.4594 7.5604 121.8092 55.2383 32.1031 174.1178 34 V 5.1227 8.5315 119.4507 60.1327 34.4679 174.5565 35 K 4.8581 8.9526 123.2014 55.2230 36.0653 174.5163 36 N 4.8591 8.7975 124.9638 53.3508 39.5419 174.9277 37 R 4.6402 8.9780 123.1038 54.9840 32.0820 177.1629 38 D 4.6207 8.8628 120.2124 54.6229 39.7163 176.3223 39 D 4.6851 8.0962 118.6334 53.2496 39.7026 177.0466 40 G 3.9604 8.1094 109.3410 45.4896 0.0000 174.4487 41 R 4.4531 7.8648 118.2416 55.6494 32.1898 175.4884 42 V 4.8925 8.5274 120.3424 61.1556 34.4255 173.9411 43 E 5.1546 9.1729 126.2137 55.0579 32.2168 175.0540 44 I 5.0799 8.8668 123.0254 59.6158 41.4659 173.7164 45 L 4.8484 8.0979 129.4271 53.0599 43.9490 174.9098 46 A 5.1989 8.9299 127.4627 50.2180 22.8028 174.3359 47 E 4.9006 9.7470 121.1727 53.6794 33.4513 176.4824 48 G 4.0014 7.6773 110.2914 44.4471 0.0000 170.0684 49 P 4.4396 0.0000 0.0000 62.1321 33.1884 177.2566 50 E 3.8651 8.6499 120.3954 59.5528 29.4131 179.5139 51 N 4.2989 8.0957 116.4062 55.8824 37.3385 177.0346 52 A 3.9240 7.8328 122.6447 54.7808 18.5757 179.4663 53 L 3.8621 7.9290 117.5790 57.8598 41.5048 179.5573 54 Q 4.1374 8.4048 120.0243 59.3487 29.1007 178.4697 55 S 4.1632 8.1519 115.3643 61.2265 62.8909 176.1019 56 F 4.1658 8.5731 124.6127 61.2029 39.0999 177.1176 57 V 3.4435 8.0071 117.7539 66.1968 31.0529 177.8558 58 E 3.9647 7.8055 116.9661 59.2712 29.6441 178.8764 59 A 4.1506 8.0448 120.8782 55.1191 18.5509 179.7033 60 V 3.5385 7.8021 117.1096 66.2275 31.2683 178.3111 61 K 4.0297 7.6742 116.6825 59.6369 31.9147 178.1972 62 N 4.2567 7.9792 115.8979 54.0419 38.6906 176.3715 63 G 3.6289 7.6219 106.4606 44.4849 0.0000 172.5610 64 S 4.0184 7.4538 112.9304 55.3822 64.7626 171.8105 65 P 4.0994 0.0000 0.0000 64.2092 31.2171 177.4038 66 F 4.0170 8.2169 119.5528 57.6763 37.1241 175.5082 67 S 4.6254 7.7536 115.2057 57.8911 63.9300 173.7946 68 K 4.4276 8.7329 122.5044 54.8084 35.0676 175.2907 69 V 4.3976 8.5971 128.9284 62.9252 31.3365 175.3882 70 T 4.4676 8.8889 119.0702 62.6039 70.4358 174.4869 71 D 4.7926 7.7430 120.4024 52.8263 45.0876 173.9486 72 I 5.0887 8.2810 124.6796 59.6272 40.5279 174.5878 73 S 4.8315 8.9931 122.2791 56.5422 65.5441 173.3696 74 V 4.8782 8.2101 121.8951 61.3328 34.1790 174.3980 75 T 4.8670 8.8917 117.5150 59.7569 72.0441 172.5855 76 E 5.4677 8.6318 119.6812 55.0680 33.1548 174.6730 77 S 4.7457 9.0309 116.6747 57.8517 65.9291 175.6697 *78 R 4.0551 8.9543 125.5950 58.1476 29.7078 177.0886 79 S 4.5498 7.8808 113.1991 57.8704 61.5752 178.9845 80 L 4.7335 8.2484 128.9304 53.2110 42.8459 177.8752 81 E 4.1718 9.0907 117.4329 56.1677 30.0448 175.8243 82 G 3.9144 7.7277 105.3717 47.4551 0.0000 173.9551 83 H 4.2238 8.4564 115.6709 56.1211 29.2832 174.6397 84 H 5.0062 8.4449 119.2373 55.0234 31.6217 173.6713 85 R 4.1381 8.5716 121.7124 55.7068 29.3470 174.9135 86 F 5.1069 8.6483 120.9440 56.7546 41.6241 174.2467 87 S 4.9325 8.2217 122.0822 56.6710 66.2686 173.4786 88 I 4.5996 8.3540 123.8483 60.9490 37.4210 175.6667 89 V 4.4628 8.3119 120.2002 59.5025 35.0280 175.8186 90 Y 4.2625 8.2487 118.6437 58.3554 38.5854 175.7675 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 4.45 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 2 L 5.62 4.61 0.00 1.59 1.18 0.99 0.38 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 3 Q 9.97 5.00 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 4 Y 9.10 5.50 0.00 2.86 2.75 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 0.00 0.00 0.00 0.00 5 R 9.14 4.87 0.00 1.72 1.85 0.00 3.08 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 6 I 8.96 4.96 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.97 0.00 0.00 7 I 8.70 4.92 1.87 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 1.14 0.74 0.91 0.00 0.00 8 V 8.85 4.75 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 0.89 0.00 0.00 1.04 0.00 0.00 9 D 9.58 5.01 0.00 2.75 2.41 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 10 G 8.25 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 11 R 8.46 4.28 0.00 1.86 1.92 0.00 3.38 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 12 V 7.79 4.31 1.08 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 0.34 0.00 0.00 0.76 0.00 0.00 13 Q 7.52 4.63 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.21 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 14 G 8.98 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.18 4.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.13 0.00 0.00 16 G 8.49 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.51 4.18 0.00 3.19 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 18 R 8.29 4.11 0.00 2.05 2.10 0.00 3.17 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 19 Y 8.25 4.15 0.00 3.17 3.23 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 20 F 8.31 3.88 0.00 3.13 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 21 V 7.85 3.06 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 1.17 0.00 0.00 0.87 0.00 0.00 22 Q 8.17 3.78 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.81 0.00 23 M 7.67 3.81 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 24 E 7.68 3.70 0.00 1.71 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 1.49 1.63 0.00 25 A 7.86 3.26 -0.06 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 0.00 0.00 0.00 0.00 0.00 26 D 8.01 4.15 0.00 2.62 2.65 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 27 K 7.77 3.80 0.00 1.68 1.97 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.44 7.81 28 R 7.58 4.23 0.00 1.68 1.81 0.00 3.50 0.00 0.00 3.36 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 29 K 7.59 3.75 0.00 1.82 1.80 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 30 L 7.81 4.53 0.00 1.05 1.22 -0.07 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.77 5.08 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 32 G 7.12 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 33 W 7.56 4.46 0.00 3.19 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 34 V 8.53 5.12 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 1.05 0.00 0.00 1.22 0.00 0.00 35 K 8.95 4.86 0.00 1.94 1.82 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.52 7.81 36 N 8.80 4.86 0.00 2.69 2.86 0.00 0.00 7.02 7.66 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 37 R 8.98 4.64 0.00 1.91 1.85 0.00 3.34 0.00 0.00 3.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 38 D 8.86 4.62 0.00 2.78 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 39 D 8.10 4.69 0.00 2.80 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 40 G 8.11 3.96 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 0.00 0.00 0.00 41 R 7.86 4.45 0.00 1.92 1.93 0.00 3.06 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 42 V 8.53 4.89 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 1.33 0.00 0.00 0.86 0.00 0.00 43 E 9.17 5.15 0.00 2.15 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 0.00 2.55 2.50 0.00 44 I 8.87 5.08 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.31 0.00 0.00 45 L 8.10 4.85 0.00 0.27 0.13 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.93 5.20 1.08 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 47 E 9.75 4.90 0.00 1.85 1.76 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 2.16 2.16 0.00 48 G 7.68 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 49 P 0.00 4.44 0.00 2.29 1.93 0.00 3.50 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 2.05 2.11 0.00 50 E 8.65 3.87 0.00 2.02 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 2.39 2.37 0.00 51 N 8.10 4.30 0.00 2.98 3.06 0.00 0.00 6.14 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 52 A 7.83 3.92 1.32 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 0.00 0.00 53 L 7.93 3.86 0.00 1.54 1.19 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.40 4.14 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 55 S 8.15 4.16 0.00 4.13 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 56 F 8.57 4.17 0.00 3.05 3.31 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 57 V 8.01 3.44 2.32 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 0.96 0.00 0.00 1.19 0.00 0.00 58 E 7.81 3.96 0.00 2.08 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 2.52 2.48 0.00 59 A 8.04 4.15 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 60 V 7.80 3.54 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 1.11 0.00 0.00 0.04 0.00 0.00 61 K 7.67 4.03 0.00 1.96 1.88 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.66 7.81 62 N 7.98 4.26 0.00 2.92 2.82 0.00 0.00 7.05 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 63 G 7.62 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 64 S 7.45 4.02 0.00 4.04 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 65 P 0.00 4.10 0.00 2.07 1.74 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 66 F 8.22 4.02 0.00 3.28 3.26 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 0.00 67 S 7.75 4.63 0.00 4.27 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 68 K 8.73 4.43 0.00 1.81 1.65 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 69 V 8.60 4.40 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 0.91 0.00 0.00 1.13 0.00 0.00 70 T 8.89 4.47 4.23 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 1.19 0.00 0.00 71 D 7.74 4.79 0.00 2.68 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 0.00 0.00 0.00 0.00 72 I 8.28 5.09 1.86 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 1.41 0.79 0.89 0.00 0.00 73 S 8.99 4.83 0.00 3.84 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 74 V 8.21 4.88 1.83 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 0.19 0.00 0.00 0.79 0.00 0.00 75 T 8.89 4.87 4.23 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 1.19 0.00 0.00 76 E 8.63 5.47 0.00 2.18 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 0.00 2.18 2.32 0.00 77 S 9.03 4.75 0.00 3.92 3.70 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 0.00 0.00 0.00 0.00 *78 R 8.95 4.06 0.00 1.87 1.82 0.00 3.31 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 1.54 1.19 0.00 79 S 7.88 4.55 0.00 3.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.73 0.00 1.60 1.71 1.01 0.94 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 81 E 9.09 4.17 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 2.22 1.87 0.00 82 G 7.73 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 83 H 8.46 4.22 0.00 3.21 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.44 5.01 0.00 3.11 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.57 4.14 0.00 2.21 2.03 0.00 3.18 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 1.60 1.17 0.00 86 F 8.65 5.11 0.00 3.17 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 87 S 8.22 4.93 0.00 3.75 3.70 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 0.00 0.00 0.00 0.00 88 I 8.35 4.60 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.78 0.00 0.00 89 V 8.31 4.46 1.85 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 0.52 0.00 0.00 0.65 0.00 0.00 90 Y 8.25 4.26 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.