NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3921 8.3101 122.1376 53.9740 32.5670 175.2164 5 A 4.0196 8.9075 129.1988 51.3207 18.8886 175.7938 *6 H 4.9103 9.1161 118.8230 52.3253 32.9229 170.5320 7 R 4.4560 8.5347 122.6433 55.6231 30.7686 176.5382 8 L 5.1706 8.8329 122.7047 54.5846 42.6237 177.5718 9 S 4.4915 9.0419 117.8324 57.4486 65.0866 174.8952 10 A 4.0757 8.7822 123.3649 55.7810 17.6711 180.2485 11 E 3.9352 8.0728 116.5854 61.3434 30.0087 181.4117 12 E 4.2139 7.9560 118.9477 58.8581 29.6026 179.4667 13 R 3.9205 7.8928 119.3117 59.2845 29.9911 178.4016 14 D 4.5356 8.0848 118.9540 56.9112 40.8901 178.3411 15 Q 4.4350 7.5402 119.6275 57.6786 28.5873 182.1163 16 L 4.7159 7.9129 117.6988 56.1350 43.0465 178.9432 17 L 4.1171 8.0075 119.4216 57.1198 41.6087 177.2480 18 P 4.2746 0.0000 0.0000 66.2527 30.5605 177.7344 19 N 4.2727 8.0414 115.1095 56.5406 39.2362 176.3787 20 L 4.1884 7.3747 120.7911 57.5781 41.7524 179.3174 21 R 4.7490 8.8079 120.3808 58.8528 29.8143 178.1729 22 A 4.2407 8.1690 119.2409 53.8274 18.3168 178.2422 23 V 4.2525 7.4922 109.3034 61.1580 32.2769 176.5270 24 G 3.8776 8.0454 107.8055 44.8339 0.0000 174.6018 25 W 4.3417 8.2013 120.3362 56.2907 30.5952 175.1031 26 N 5.2793 8.3572 120.2097 51.2264 42.2914 173.4660 27 E 4.8048 8.7029 120.3107 55.8251 30.3766 176.4135 28 L 4.4159 9.3446 126.7676 54.9363 43.4601 176.0769 29 E 4.2607 8.8127 126.2917 57.5696 29.9519 177.2908 30 G 3.9756 10.4538 111.3516 45.4415 0.0000 172.8609 31 R 4.5700 7.3288 116.7103 54.9819 33.1035 175.0068 32 D 4.8128 8.5582 124.4957 53.1587 40.2345 174.2622 33 A 4.7721 7.9483 124.2362 50.6170 23.3808 174.5209 34 I 5.3944 8.6388 112.4275 59.5217 41.2276 174.5415 35 F 5.6774 9.2398 117.3631 56.2734 41.9004 173.0008 36 K 3.9551 8.6036 119.1344 55.2057 35.7485 173.7951 37 Q 4.7940 8.2111 128.5745 54.9428 30.2951 174.3710 38 F 4.5249 9.5022 125.3189 55.7814 41.9926 174.0193 39 H 5.0074 8.1591 121.5359 54.4223 32.1053 172.4112 40 F 4.7281 8.6060 123.9297 55.1641 41.7518 175.7799 41 K 4.1035 8.8407 120.8041 59.2678 32.3737 175.5486 42 D 4.3302 7.4273 115.7893 50.8877 42.4790 175.1651 43 F 4.1075 7.8749 120.6737 60.6815 39.1920 176.4003 44 N 4.0880 8.2179 116.3887 56.9600 38.5852 176.8670 45 R 3.6691 8.2538 118.8244 59.0222 30.1422 178.8023 46 A 2.9497 7.3847 120.4639 54.9566 18.3012 179.4980 47 F 3.6924 8.1672 119.3252 60.6989 39.3694 177.7906 48 G 3.4282 7.7629 105.8049 47.3478 0.0000 175.5150 49 F 4.0306 7.8850 122.9626 61.4045 39.4008 177.1201 50 M 3.6865 7.6109 118.2236 58.2738 31.5677 178.8971 51 S 3.8604 7.6748 115.5350 61.6847 62.9120 177.0854 52 R 3.9542 7.7060 120.4647 59.2025 29.7035 179.3568 53 V 3.7072 7.7610 117.9937 65.7139 31.4671 177.9440 54 A 3.9782 8.5944 121.0796 55.0844 18.2507 179.5382 55 L 3.8520 7.8516 117.4683 58.0906 41.6424 179.6537 56 Q 3.6102 7.7178 118.8579 58.7147 28.7009 177.9260 57 A 3.9305 7.8679 123.6799 54.6355 18.1417 179.5277 58 E 3.8609 7.8163 115.9451 59.1563 29.5886 179.0789 59 K 3.9896 7.7378 119.0892 58.9513 32.3653 178.0640 60 L 4.2329 7.8640 116.8270 53.5225 42.6939 175.6815 61 D 4.3039 8.0843 117.5910 55.0120 39.8648 173.5172 62 H 4.7000 7.5780 117.0290 54.9283 32.5595 171.0805 63 H 4.6342 8.4444 123.9049 53.1295 31.0696 172.4819 64 P 4.3918 0.0000 0.0000 62.4745 32.8363 175.6169 65 E 4.7099 8.9285 121.3919 54.7224 30.5942 175.0676 66 W 5.9645 9.0410 120.9407 54.5983 31.9923 174.2928 67 F 5.1295 9.6419 123.4586 56.5484 41.8030 173.2324 68 N 5.2998 8.1257 123.5776 51.7628 42.1644 173.9666 69 V 4.1003 8.2507 124.6047 61.7877 34.8815 176.5535 70 Y 3.6541 8.7143 132.2501 58.9986 38.6864 171.0553 71 N 4.8693 9.3192 115.2753 52.6276 38.2827 174.0357 72 K 5.1953 8.1835 119.3158 54.9335 35.5173 175.4069 73 V 4.8706 9.0359 123.5214 61.6698 34.8153 173.3284 74 H 5.4829 9.9747 129.0639 54.7953 31.8039 173.2872 75 I 5.3429 8.9497 126.6116 59.9739 40.3767 174.6461 76 T 5.4318 9.3880 123.0788 61.8486 72.0273 172.9605 77 L 5.1747 9.2392 125.5993 53.2201 45.1308 175.5218 78 S 4.8951 8.4835 115.3057 57.9942 65.8078 174.2485 79 T 4.5136 8.6092 124.2928 62.8824 69.5198 175.9949 *80 H 4.0903 9.0575 124.4154 57.5591 28.3487 173.4869 81 E 3.9978 8.3773 120.0271 58.6815 29.2492 177.2798 82 C 4.6435 7.9287 109.3943 56.7578 30.4811 173.5764 83 A 3.7048 7.8840 120.9967 52.2590 16.1402 176.3678 84 G 3.9727 7.1530 109.0096 45.2369 0.0000 171.4672 85 L 4.5650 7.9990 119.7576 54.6995 42.1526 176.9319 86 S 4.8935 9.0636 118.8253 56.1405 66.4756 175.2625 87 E 4.0157 8.6326 118.4272 61.1140 29.0671 176.8572 88 R 3.9729 7.7284 116.4589 59.6796 29.9199 178.8010 89 D 4.3551 8.0186 118.8228 57.2113 40.8308 178.8247 90 I 3.5000 7.5322 119.8862 64.2679 37.1669 177.8428 91 N 4.2503 8.2686 118.0685 56.6654 38.8127 176.7522 92 L 3.9877 8.0560 121.5648 57.9046 42.0407 178.7404 93 A 3.8185 8.0742 121.1516 54.9929 18.2338 179.4810 94 S 4.0071 8.0100 111.6726 61.4665 62.4618 176.2518 95 F 4.1751 8.2614 123.3074 61.3741 39.1131 177.0593 96 I 3.7820 8.4666 119.9230 64.5575 36.8866 178.1972 97 E 4.2596 8.7486 119.6026 59.5967 28.8266 179.2959 98 Q 3.9490 7.9265 117.8753 59.1263 28.5616 179.3717 99 V 3.5513 7.2494 117.4843 65.7134 31.7584 177.6109 100 A 4.2871 8.4805 120.7930 55.3795 18.1109 179.7266 101 V 3.5870 7.8976 115.7393 66.1116 31.6223 177.9263 102 S 4.3320 7.7574 111.2892 60.1868 62.9590 174.0967 103 M 4.3446 8.0526 127.3791 55.5276 32.2198 175.2950 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 4 K 8.31 4.39 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 5 A 8.91 4.02 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 *6 H 9.12 4.91 0.00 2.87 2.77 0.00 7.22 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.53 4.46 0.00 1.69 1.91 0.00 3.18 0.00 0.00 3.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 8 L 8.83 5.17 0.00 1.50 1.59 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.04 4.49 0.00 3.89 4.01 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 10 A 8.78 4.08 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 11 E 8.07 3.94 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 2.31 1.94 0.00 12 E 7.96 4.21 0.00 2.12 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 0.00 2.38 2.32 0.00 13 R 7.89 3.92 0.00 2.09 2.01 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 14 D 8.08 4.54 0.00 2.81 2.73 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 15 Q 7.54 4.43 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 16 L 7.91 4.72 0.00 1.70 1.66 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.01 4.12 0.00 1.82 1.71 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.27 0.00 2.25 2.33 0.00 3.69 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 2.07 2.26 0.00 19 N 8.04 4.27 0.00 2.71 3.00 0.00 0.00 7.00 7.78 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 20 L 7.37 4.19 0.00 2.00 1.54 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.81 4.75 0.00 1.90 2.08 0.00 3.32 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 22 A 8.17 4.24 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 23 V 7.49 4.25 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 0.78 0.00 0.00 1.21 0.00 0.00 24 G 8.05 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 25 W 8.20 4.34 0.00 3.28 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 26 N 8.36 5.28 0.00 1.65 2.57 0.00 0.00 6.89 7.28 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 27 E 8.70 4.80 0.00 1.94 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 2.37 2.36 0.00 28 L 9.34 4.42 0.00 1.97 1.82 0.68 1.02 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 29 E 8.81 4.26 0.00 2.00 1.90 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 2.37 2.38 0.00 30 G 10.45 3.98 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 0.00 0.00 0.00 31 R 7.33 4.57 0.00 1.79 1.79 0.00 3.29 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 32 D 8.56 4.81 0.00 2.88 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 33 A 7.95 4.77 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 34 I 8.64 5.39 2.18 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.32 0.98 0.00 0.00 35 F 9.24 5.68 0.00 3.21 3.27 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 0.00 36 K 8.60 3.96 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.42 7.81 37 Q 8.21 4.79 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 38 F 9.50 4.52 0.00 2.95 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 0.00 0.00 0.00 0.00 39 H 8.16 5.01 0.00 2.97 2.98 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.61 4.73 0.00 2.78 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 41 K 8.84 4.10 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 42 D 7.43 4.33 0.00 2.84 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 43 F 7.87 4.11 0.00 2.72 2.99 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 44 N 8.22 4.09 0.00 2.81 2.93 0.00 0.00 7.22 7.65 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 45 R 8.25 3.67 0.00 1.98 1.72 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 46 A 7.38 2.95 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 47 F 8.17 3.69 0.00 1.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.43 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 49 F 7.89 4.03 0.00 2.47 2.64 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 0.00 0.00 0.00 0.00 50 M 7.61 3.69 0.00 1.19 1.33 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.44 0.00 51 S 7.67 3.86 0.00 3.76 3.75 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 52 R 7.71 3.95 0.00 1.96 2.06 0.00 3.11 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 53 V 7.76 3.71 2.26 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 0.83 0.00 0.00 0.49 0.00 0.00 54 A 8.59 3.98 1.45 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 0.00 0.00 0.00 55 L 7.85 3.85 0.00 1.82 1.67 0.91 0.81 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 56 Q 7.72 3.61 0.00 1.10 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 57 A 7.87 3.93 1.11 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 58 E 7.82 3.86 0.00 2.05 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 2.35 2.46 0.00 59 K 7.74 3.99 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 L 7.86 4.23 0.00 1.50 1.59 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.08 4.30 0.00 2.75 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 62 H 7.58 4.70 0.00 3.10 2.98 0.00 5.88 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.44 4.63 0.00 2.99 3.01 0.00 5.94 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.39 0.00 1.46 1.59 0.00 3.21 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.93 4.71 0.00 2.17 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 2.28 2.25 0.00 66 W 9.04 5.96 0.00 3.42 3.24 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 67 F 9.64 5.13 0.00 3.21 3.08 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 68 N 8.13 5.30 0.00 2.56 2.44 0.00 0.00 6.83 7.71 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 69 V 8.25 4.10 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 0.96 0.00 0.00 0.64 0.00 0.00 70 Y 8.71 3.65 0.00 3.16 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 0.00 0.00 0.00 0.00 71 N 9.32 4.87 0.00 2.88 2.49 0.00 0.00 5.76 7.20 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 72 K 8.18 5.20 0.00 1.83 2.05 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.47 7.81 73 V 9.04 4.87 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 1.07 0.00 0.00 1.10 0.00 0.00 74 H 9.97 5.48 0.00 3.46 3.47 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.95 5.34 2.27 0.00 0.00 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 1.85 1.08 1.28 0.00 0.00 76 T 9.39 5.43 4.53 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 1.37 0.00 0.00 77 L 9.24 5.17 0.00 1.60 1.75 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.48 4.90 0.00 3.89 3.71 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 79 T 8.61 4.51 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 *80 H 9.06 4.09 0.00 2.83 3.08 0.00 7.22 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 81 E 8.38 4.00 0.00 1.92 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 0.00 2.30 2.33 0.00 82 C 7.93 4.64 0.00 3.07 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 83 A 7.88 3.70 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 84 G 7.15 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 85 L 8.00 4.56 0.00 1.75 1.59 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.06 4.89 0.00 4.00 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 87 E 8.63 4.02 0.00 1.99 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 1.98 0.00 88 R 7.73 3.97 0.00 1.54 1.47 0.00 2.97 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 89 D 8.02 4.36 0.00 2.78 2.66 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 90 I 7.53 3.50 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 0.83 0.00 0.00 91 N 8.27 4.25 0.00 2.73 2.92 0.00 0.00 6.90 7.48 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 92 L 8.06 3.99 0.00 1.85 1.62 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.07 3.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.01 0.00 3.88 4.07 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 95 F 8.26 4.18 0.00 3.15 3.19 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 96 I 8.47 3.78 2.41 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 1.23 0.00 0.00 97 E 8.75 4.26 0.00 2.27 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 0.00 2.90 2.72 0.00 98 Q 7.93 3.95 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 99 V 7.25 3.55 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 0.88 0.00 0.00 0.41 0.00 0.00 100 A 8.48 4.29 1.58 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 0.00 0.00 101 V 7.90 3.59 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 0.91 0.00 0.00 1.04 0.00 0.00 102 S 7.76 4.33 0.00 4.11 3.98 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 0.00 103 M 8.05 4.34 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.