NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2720 8.2649 123.5839 51.1394 20.8964 176.7350 3 R 4.1771 7.6714 111.2755 53.1922 32.0753 174.6341 4 P 4.2740 0.0000 0.0000 65.7946 31.8430 178.2077 5 L 4.0350 7.8956 118.3884 57.9202 42.0344 178.6823 6 E 3.9661 8.1070 118.3100 59.5981 29.5021 179.1790 7 Q 4.0445 7.8900 117.4752 58.6841 28.8386 178.6538 8 A 3.9985 8.1187 121.9380 55.2868 18.4799 179.9479 9 V 3.6301 8.1486 116.7738 65.9097 31.5983 178.0382 10 A 4.0486 8.2187 120.5197 55.1392 18.2147 179.4855 11 A 4.0557 8.2328 119.6202 55.2348 18.5866 179.9219 12 I 3.9342 7.8169 111.3746 64.0097 37.5994 178.7271 13 V 3.9654 7.9407 119.9922 65.8429 31.3756 177.4682 14 C 4.1533 8.2618 118.5778 62.9677 31.2863 175.8205 15 T 4.0560 8.2523 117.2825 66.4800 68.0096 176.4870 16 F 3.7254 8.2751 122.2317 61.2936 39.3871 176.9083 17 Q 3.9514 8.7000 119.6064 59.1524 28.5642 177.8629 18 E 3.8136 8.0155 119.4926 59.2307 29.8087 177.9726 19 Y 3.9565 7.8319 116.0140 60.3398 38.1740 177.8967 20 A 3.8114 8.0329 121.8376 54.7557 18.4638 178.6109 21 G 3.6972 7.8735 102.8949 46.6038 0.0000 174.9047 22 R 3.9788 7.3538 120.0091 58.5781 30.1746 176.4170 23 C 4.5706 7.8423 107.9423 58.3108 32.5288 175.4862 24 G 3.6205 8.5425 108.0170 45.9927 0.0000 174.3408 25 D 4.3142 8.4980 124.1178 53.8670 40.8918 177.4112 26 K 4.0570 8.3276 126.9451 59.1830 32.5598 177.1322 27 Y 4.9968 8.1931 116.4907 57.9555 38.2008 175.0215 28 K 5.2263 8.0216 118.6757 54.7588 36.5320 175.0640 29 L 5.0847 8.9353 121.0330 53.2358 46.5056 175.0110 30 C 5.1974 8.5785 114.2950 56.4148 32.5791 175.2726 31 Q 4.0038 9.0017 118.4128 58.8949 28.0028 179.2642 32 A 3.9646 8.0969 121.9730 55.2745 18.3786 179.5583 33 E 3.9583 8.1176 116.6470 59.3412 29.4828 179.2017 34 L 3.8873 7.9571 120.5402 57.8566 42.1066 178.9146 35 K 3.8677 8.1784 119.6950 59.4483 32.0762 178.2735 36 E 3.9193 8.3423 119.7178 59.2100 29.5877 178.4758 37 L 3.2969 7.9256 120.5611 57.9985 42.1524 178.9826 38 L 4.0002 8.0736 119.0937 57.9499 41.5726 179.5993 39 Q 4.0949 8.3792 118.1603 58.6311 28.3986 178.7211 40 K 4.2255 8.1814 118.6625 58.9095 32.6425 178.6370 41 E 4.3609 8.5703 117.1620 57.2044 30.1872 176.7272 42 L 4.6136 7.8172 119.3365 53.6423 42.8442 178.5285 43 A 4.2529 8.6855 123.1821 54.6472 18.4307 179.5919 44 T 4.3218 7.9121 103.3938 62.4303 69.6922 174.9304 45 W 4.3485 8.2844 123.9378 56.6600 29.1274 175.6531 46 T 4.4816 8.0642 112.4516 58.5627 71.4156 171.6721 47 P 4.3831 0.0000 0.0000 63.0136 31.5434 176.5108 48 T 4.3299 8.4965 111.8859 60.2516 69.9907 175.4705 49 E 3.9237 8.6074 120.0489 58.9910 29.1091 177.8785 50 F 4.6850 8.0738 119.6587 59.5938 40.8095 176.6984 51 R 4.3347 7.5241 115.8428 56.1742 29.7721 177.8697 52 E 3.8279 7.6144 121.8912 59.5208 29.5938 178.4071 53 C 3.9810 7.7750 117.9317 62.5972 31.6287 174.7130 54 D 4.2010 7.8222 119.8468 57.7461 40.3053 178.1012 55 Y 3.6598 7.6032 119.4702 60.6872 38.7818 177.5643 56 N 4.3154 8.5311 117.1501 56.6051 38.7717 177.5520 57 K 3.8753 8.0916 119.2647 59.3981 32.1194 178.8350 58 F 3.9648 8.3230 121.2557 62.0003 38.9958 177.2765 59 M 4.0385 7.8508 116.5225 58.1959 31.9290 178.4708 60 S 4.1565 7.9310 113.4627 61.3106 62.5745 176.1359 61 V 3.4868 8.2303 121.2683 66.1855 30.9229 177.9189 62 L 3.8608 7.1041 115.9992 57.4675 41.4583 178.0223 63 D 4.5526 7.8814 117.3554 55.8116 41.1811 177.6805 64 T 4.0554 7.7039 109.0821 63.8878 69.6309 174.8844 65 N 4.9972 7.5924 120.1885 51.7018 39.5974 174.2336 66 K 3.9214 8.1161 121.6883 59.2856 32.8119 178.8042 67 D 4.5512 7.9046 116.0141 55.2982 41.4958 176.1276 68 C 4.1352 7.8721 121.1825 59.6751 32.4491 172.6384 69 E 4.5831 8.7740 126.7504 56.2855 30.5602 175.9673 70 V 4.5288 9.0858 125.8302 61.2818 34.8971 175.1819 71 D 5.2125 8.7258 127.7957 52.0115 41.5479 176.9086 72 F 3.6664 8.8920 119.9465 61.4777 39.0892 176.8981 73 V 3.3930 7.8315 117.2380 65.9877 31.3312 177.4534 74 E 3.9442 8.7693 119.2481 59.0972 29.5699 178.1165 75 Y 4.1411 8.0856 119.7771 60.8015 38.9260 178.3388 76 V 2.8670 7.3520 119.0933 65.5634 31.4045 177.8843 77 R 3.7525 7.8827 118.5570 59.4659 29.8815 178.6840 78 S 4.1589 8.0140 114.9611 61.4659 62.9022 176.6483 79 L 3.7589 7.3814 121.0035 57.5515 41.3019 179.3501 80 A 3.8198 7.6974 120.5854 55.3506 18.3286 179.3746 81 C 3.4101 7.8839 115.3700 62.8042 28.0392 176.4669 82 L 4.0013 7.5021 120.2228 57.7582 41.0832 179.5192 83 C 4.5070 7.7477 116.4510 62.9547 27.9106 176.0277 84 L 3.8810 7.2226 119.2627 57.7496 41.3205 178.7259 85 Y 4.6782 7.8289 116.4806 59.8531 37.9291 176.7132 86 C 4.7836 8.6098 114.4070 58.6882 30.4556 173.1603 87 H 4.3821 8.5079 121.4245 54.1562 30.5839 175.3673 88 E 3.9648 8.6044 127.5518 59.3073 29.6757 178.0722 89 Y 3.9171 8.3208 118.7026 59.9846 38.9535 176.3688 90 F 4.6647 8.0685 116.6423 56.8425 39.3820 177.1369 91 K 3.8405 7.7768 124.2777 59.4804 31.8279 177.1472 92 D 4.6843 7.7515 114.5912 53.9171 41.2297 175.9346 93 C 4.1024 8.0470 123.6524 59.3561 32.1709 172.2962 *94 P 4.2635 0.0000 0.0000 62.3963 31.0523 174.2291 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 A 8.26 4.27 1.26 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 0.00 0.00 3 R 7.67 4.18 0.00 2.11 1.88 0.00 3.34 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 4 P 0.00 4.27 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 5 L 7.90 4.03 0.00 1.76 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.11 3.97 0.00 2.20 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 2.41 2.41 0.00 7 Q 7.89 4.04 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 8 A 8.12 4.00 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 9 V 8.15 3.63 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 1.08 0.00 0.00 1.03 0.00 0.00 10 A 8.22 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.06 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 0.00 0.00 0.00 0.00 0.00 12 I 7.82 3.93 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.97 0.00 0.00 13 V 7.94 3.97 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 1.02 0.00 0.00 1.00 0.00 0.00 14 C 8.26 4.15 0.00 3.21 3.20 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 15 T 8.25 4.06 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 F 8.28 3.73 0.00 3.05 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 17 Q 8.70 3.95 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 18 E 8.02 3.81 0.00 2.00 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 2.20 1.88 0.00 19 Y 7.83 3.96 0.00 2.81 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 20 A 8.03 3.81 0.59 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 0.00 0.00 21 G 7.87 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 0.00 0.00 0.00 22 R 7.35 3.98 0.00 1.75 1.94 0.00 3.21 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 23 C 7.84 4.57 0.00 2.98 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 24 G 8.54 3.62 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 0.00 0.00 0.00 25 D 8.50 4.31 0.00 2.71 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 0.00 0.00 0.00 0.00 26 K 8.33 4.06 0.00 1.63 1.66 0.00 1.26 0.00 0.00 1.09 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.31 7.81 27 Y 8.19 5.00 0.00 3.17 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 28 K 8.02 5.23 0.00 1.66 1.74 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.78 7.81 29 L 8.94 5.08 0.00 1.59 1.50 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.58 5.20 0.00 3.18 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 31 Q 9.00 4.00 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 32 A 8.10 3.96 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 33 E 8.12 3.96 0.00 2.17 2.07 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 2.45 2.38 0.00 34 L 7.96 3.89 0.00 1.81 1.82 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.18 3.87 0.00 1.93 1.96 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.49 7.81 36 E 8.34 3.92 0.00 2.21 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 0.00 2.51 2.42 0.00 37 L 7.93 3.30 0.00 0.76 1.52 0.55 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.07 4.00 0.00 1.87 1.75 1.07 1.10 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 39 Q 8.38 4.09 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 40 K 8.18 4.23 0.00 1.88 1.95 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.70 7.81 41 E 8.57 4.36 0.00 1.93 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 2.47 2.55 0.00 42 L 7.82 4.61 0.00 1.82 1.35 0.56 -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 0.00 0.00 0.00 0.00 43 A 8.69 4.25 1.39 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 44 T 7.91 4.32 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 1.30 0.00 0.00 45 W 8.28 4.35 0.00 3.53 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 46 T 8.06 4.48 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 1.25 0.00 0.00 47 P 0.00 4.38 0.00 1.87 1.88 0.00 3.30 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.51 0.00 48 T 8.50 4.33 4.28 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 1.23 0.00 0.00 49 E 8.61 3.92 0.00 2.12 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 2.37 2.32 0.00 50 F 8.07 4.69 0.00 3.10 3.11 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 51 R 7.52 4.33 0.00 2.04 1.88 0.00 3.49 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.20 0.00 52 E 7.61 3.83 0.00 1.99 1.87 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 2.29 2.28 0.00 53 C 7.78 3.98 0.00 2.89 2.70 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 54 D 7.82 4.20 0.00 2.23 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 0.00 0.00 0.00 55 Y 7.60 3.66 0.00 2.96 3.04 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 56 N 8.53 4.32 0.00 2.94 2.92 0.00 0.00 7.16 6.73 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 57 K 8.09 3.88 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.57 7.81 58 F 8.32 3.96 0.00 3.29 3.17 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 59 M 7.85 4.04 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 60 S 7.93 4.16 0.00 3.96 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 61 V 8.23 3.49 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 0.86 0.00 0.00 0.89 0.00 0.00 62 L 7.10 3.86 0.00 1.74 1.61 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.88 4.55 0.00 2.81 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 64 T 7.70 4.06 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 1.17 0.00 0.00 65 N 7.59 5.00 0.00 2.74 2.80 0.00 0.00 7.22 6.14 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 66 K 8.12 3.92 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.61 7.81 67 D 7.90 4.55 0.00 2.66 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 68 C 7.87 4.14 0.00 3.21 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 69 E 8.77 4.58 0.00 2.05 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 2.35 2.35 0.00 70 V 9.09 4.53 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 1.08 0.00 0.00 0.96 0.00 0.00 71 D 8.73 5.21 0.00 3.06 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 72 F 8.89 3.67 0.00 2.63 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 73 V 7.83 3.39 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 0.94 0.00 0.00 0.98 0.00 0.00 74 E 8.77 3.94 0.00 2.19 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 2.34 2.41 0.00 75 Y 8.09 4.14 0.00 3.22 3.11 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 76 V 7.35 2.87 1.66 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 0.66 0.00 0.00 -0.03 0.00 0.00 77 R 7.88 3.75 0.00 1.90 2.22 0.00 3.12 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 78 S 8.01 4.16 0.00 4.10 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 79 L 7.38 3.76 0.00 1.58 1.45 0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.70 3.82 1.18 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 81 C 7.88 3.41 0.00 2.31 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 0.00 0.00 0.00 0.00 82 L 7.50 4.00 0.00 1.79 1.91 1.31 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.75 4.51 0.00 3.07 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 84 L 7.22 3.88 0.00 1.35 1.60 0.69 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.83 4.68 0.00 3.17 3.03 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 0.00 0.00 0.00 86 C 8.61 4.78 0.00 3.08 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 87 H 8.51 4.38 0.00 3.13 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.60 3.96 0.00 1.98 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 2.33 2.34 0.00 89 Y 8.32 3.92 0.00 2.68 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 90 F 8.07 4.66 0.00 3.23 3.04 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 91 K 7.78 3.84 0.00 1.91 1.83 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.72 7.81 92 D 7.75 4.68 0.00 2.59 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 93 C 8.05 4.10 0.00 3.11 3.10 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 *94 P 0.00 4.26 0.00 1.90 1.86 0.00 3.74 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 1.85 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.