NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6725 8.3649 120.3164 53.1173 40.7689 174.3541 2 V 4.4719 7.9545 114.7230 59.2271 34.8778 173.4724 3 Q 4.8310 9.4813 123.2725 54.1195 33.4420 174.0602 4 L 5.1881 8.5037 120.8431 53.0583 45.5750 174.9687 5 Q 4.6896 8.9943 125.4583 54.4172 31.3119 174.2516 6 Q 5.1216 9.0679 126.1219 55.2082 30.3262 176.0155 7 S 4.0961 8.8602 117.9677 57.9254 67.9264 173.5038 *9 G 4.1855 8.9310 107.5439 44.6011 0.0000 170.5951 10 P 4.1841 0.0000 0.0000 63.8995 31.4312 177.1779 11 G 4.1113 8.3517 111.5554 45.9687 0.0000 172.9312 12 L 4.1601 8.5231 117.9900 53.8454 40.3230 171.8637 13 V 3.6905 9.0883 130.6898 64.6705 35.5589 176.0346 14 A 3.5403 8.1747 117.4088 50.1036 18.2586 176.0502 15 P 4.4345 0.0000 0.0000 63.9488 32.1684 175.6938 16 S 4.5340 8.2654 115.3418 58.7575 62.7022 169.5803 17 Q 4.4342 7.2297 117.7976 54.9375 30.5444 173.3803 18 S 5.0458 8.1794 113.0820 57.6322 66.8603 172.5048 19 L 5.4588 8.6015 121.0470 52.8413 44.7552 175.3345 20 S 4.9178 8.2838 118.8693 56.7470 65.6932 172.3925 21 I 5.0746 8.7598 127.6082 59.7941 41.2699 174.4080 22 T 5.0962 8.6393 121.8465 61.8913 71.8514 173.4252 23 C 5.3453 9.3002 126.5677 55.2261 47.5814 172.5079 24 T 4.8857 8.7746 124.2483 62.4931 69.5753 174.8801 25 V 4.8331 7.9589 119.6921 60.2164 33.9851 175.6346 26 S 4.5357 8.7366 117.0969 58.4398 67.0729 175.5547 27 G 3.9402 9.0243 111.3809 45.4969 0.0000 173.0804 *29 F 4.7323 7.7203 112.8600 56.6320 39.1969 174.2599 30 S 4.5302 8.2024 115.7774 56.6029 64.6414 175.3461 31 L 4.0859 8.1278 122.6891 57.2888 41.8053 179.4151 32 T 3.9527 7.4268 109.7592 64.1089 69.3485 176.5835 33 D 3.9750 8.0795 122.0326 56.5419 41.2830 175.8660 *39 Y 5.1721 6.9405 113.4515 58.0279 39.1863 175.0440 40 G 4.0284 9.0622 107.9156 45.5039 0.0000 173.1653 41 V 4.5310 8.1587 120.0935 60.9150 34.6481 174.6774 42 N 5.3577 9.0102 125.0445 51.6910 41.6558 173.7582 43 W 5.2536 9.0736 119.6704 55.1836 33.1107 174.9513 44 V 5.2186 9.4670 123.1281 61.6453 35.2495 173.6200 45 R 5.0189 8.7368 120.5866 54.6724 33.5542 173.6879 46 Q 4.7618 9.0616 121.4030 54.5918 32.3493 173.9701 47 S 4.9777 8.6679 121.0440 55.9177 64.9634 171.4422 48 P 4.1534 0.0000 0.0000 63.7305 31.3565 177.0116 49 G 4.0662 8.8761 111.2510 45.7116 0.0000 173.5711 50 K 4.4469 7.8839 118.5407 54.4634 33.9334 176.4838 51 G 3.9156 8.1577 109.6638 44.9555 0.0000 173.0071 52 L 4.7528 8.1102 118.7960 54.3161 42.8983 176.9049 53 E 4.7661 8.8488 119.3244 54.3325 32.9613 174.3992 54 W 4.4774 9.2164 134.9118 57.9049 31.2192 174.9717 55 L 4.2545 8.3871 126.8104 55.3059 43.3443 176.6208 56 G 3.2870 6.1131 104.0186 45.6115 0.0000 172.0999 57 V 4.9396 7.8443 118.6038 59.7267 35.4487 174.3417 58 I 4.6540 8.2169 122.8813 58.9235 40.7310 175.1437 59 W 4.7322 8.8338 130.1568 56.2330 30.6128 177.8120 60 G 4.2430 9.4876 107.7804 48.2076 0.0000 175.4741 *65 D 4.7240 7.4677 116.6726 52.1858 40.8005 176.1984 66 G 4.1027 8.1788 109.2407 45.7851 0.0000 174.6683 67 I 4.0397 7.8589 120.6691 62.0078 38.2009 175.3651 68 T 5.0646 8.5830 121.2394 61.8615 72.0658 173.0468 69 D 5.0885 8.6762 123.7779 52.8736 44.5438 174.5747 70 Y 4.9827 8.7268 119.5205 55.6047 41.9566 174.8234 71 N 4.8359 8.6902 120.5837 53.5905 39.1967 175.9353 72 S 4.0987 9.3500 121.9750 60.8757 62.8686 174.9660 73 A 4.5960 8.3190 121.3945 51.9994 19.7143 176.8864 74 L 4.6525 7.9136 114.7079 53.9624 43.3681 178.5446 75 K 3.7266 8.1934 120.8310 59.6194 32.1485 178.4111 76 S 4.1107 7.9760 112.3421 60.7139 62.9646 175.1311 77 R 4.4426 8.1853 118.2613 55.5583 30.5952 175.1984 78 L 5.3383 7.2533 116.9072 53.9319 43.9137 176.0186 79 S 4.7041 9.2129 114.5179 56.7214 66.0468 172.6194 80 V 5.0016 8.7052 126.8405 61.4303 33.3604 174.4789 81 T 5.0905 8.8988 117.4330 60.1224 72.7314 172.5832 82 K 4.9121 8.5906 119.1837 55.8629 35.7792 175.2980 83 D 4.7877 8.6872 122.3096 52.5771 41.8760 176.1340 84 N 4.3003 8.9157 124.7470 56.4532 38.8908 178.0068 85 S 4.2449 8.1193 113.0039 60.7289 63.0185 175.1172 86 K 4.2566 8.0190 116.8564 55.3779 32.9716 176.3584 87 S 3.5881 7.5152 113.8731 59.9536 60.9049 171.3051 88 Q 4.8993 7.2216 117.3037 54.0662 33.7343 176.3501 89 V 4.5821 7.9581 120.1640 61.2513 35.2875 174.0311 90 F 5.5195 9.7428 126.8336 55.6112 42.2574 174.0387 91 L 4.7573 8.6993 124.3785 52.8799 44.8578 174.9455 92 K 4.8861 8.7851 126.7538 54.7426 35.6531 174.2965 93 M 5.0891 8.6886 126.3193 53.9207 35.4450 173.9860 94 N 5.0231 9.3186 123.0955 50.7293 42.1940 174.1274 95 S 3.6487 8.3562 112.6874 59.7785 60.5942 173.1523 96 L 4.3981 7.6581 119.5012 55.1805 42.5337 177.1032 97 Q 4.8120 9.2451 119.2474 54.0583 33.3286 176.3974 98 S 4.1096 9.0031 116.0364 62.1174 62.8537 177.4265 99 G 3.8051 8.0522 106.3528 47.5794 0.0000 173.6561 100 D 4.6471 8.8470 120.0047 55.5026 41.4055 177.0868 101 S 4.4704 7.9951 115.7553 59.1030 63.5251 174.1625 102 A 4.2674 7.9905 123.7439 52.2615 24.7617 173.9026 103 R 4.9015 7.8831 116.9970 55.0731 32.6019 175.0194 104 Y 5.0876 9.2650 124.6485 56.6808 40.2929 174.3893 105 Y 5.5816 10.1274 122.5294 56.3151 42.2046 171.9717 106 C 4.3965 8.8755 117.4521 53.6308 42.4790 172.8740 107 V 4.5966 7.8480 120.6775 61.2089 35.4309 174.4317 108 T 4.0733 7.8344 114.5806 60.5071 69.6997 174.5198 109 G 3.8653 8.6264 109.6781 48.3391 0.0000 174.1270 110 L 4.3765 7.7212 118.5634 54.4853 42.6465 177.5687 *136 F 4.9586 8.1828 114.7389 57.2315 40.4392 176.1893 137 D 4.5039 7.7935 123.2267 55.7584 39.7209 176.1161 138 Y 4.8490 8.3539 117.2681 55.5853 40.8458 175.2249 139 W 4.9398 9.1502 122.1884 54.8760 32.6885 175.3521 140 G 4.3258 8.5982 109.5065 44.7563 0.0000 174.8490 141 Q 4.4048 8.8761 117.7395 56.6495 28.8445 177.2854 142 G 3.7313 8.1913 103.4615 45.8576 0.0000 173.0787 143 T 4.6747 8.0851 115.1031 61.9714 72.7456 173.2956 144 T 4.7751 8.6310 122.9441 62.5233 70.1736 173.8580 145 L 4.6733 9.4862 128.3687 53.6557 44.8478 175.0934 146 T 4.8449 8.6581 123.8330 61.9159 69.9009 174.8552 147 V 3.9895 8.8022 127.1329 61.2322 33.2888 176.3282 148 S 4.3244 8.5257 113.5702 58.6416 62.8439 168.5005 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 D 8.36 4.67 0.00 2.85 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 2 V 7.95 4.47 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 -0.21 0.00 0.00 0.45 0.00 0.00 3 Q 9.48 4.83 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 4 L 8.50 5.19 0.00 1.58 1.49 0.86 0.85 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 5 Q 8.99 4.69 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 6 Q 9.07 5.12 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.32 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 7 S 8.86 4.10 0.00 3.92 3.86 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 *9 G 8.93 4.19 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 0.00 10 P 0.00 4.18 0.00 2.16 2.20 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 11 G 8.35 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 12 L 8.52 4.16 0.00 1.78 1.79 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 13 V 9.09 3.69 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 0.74 0.00 0.00 0.96 0.00 0.00 14 A 8.17 3.54 1.35 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 0.00 0.00 0.00 15 P 0.00 4.43 0.00 2.18 2.06 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 16 S 8.27 4.53 0.00 4.14 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 0.00 17 Q 7.23 4.43 0.00 2.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 18 S 8.18 5.05 0.00 3.96 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 19 L 8.60 5.46 0.00 1.47 1.28 -0.10 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.28 4.92 0.00 3.79 3.57 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 21 I 8.76 5.07 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 1.21 0.00 0.00 22 T 8.64 5.10 4.33 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 1.15 0.00 0.00 23 C 9.30 5.35 0.00 3.05 2.93 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 24 T 8.77 4.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 25 V 7.96 4.83 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 0.53 0.00 0.00 0.37 0.00 0.00 26 S 8.74 4.54 0.00 3.94 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 27 G 9.02 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 0.00 0.00 0.00 *29 F 7.72 4.73 0.00 3.36 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 30 S 8.20 4.53 0.00 3.95 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 31 L 8.13 4.09 0.00 1.74 1.74 0.72 0.36 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 32 T 7.43 3.95 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 1.18 0.00 0.00 33 D 8.08 3.98 0.00 2.49 1.54 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 *39 Y 6.94 5.17 0.00 3.22 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 40 G 9.06 4.03 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 0.00 0.00 0.00 41 V 8.16 4.53 1.94 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 0.70 0.00 0.00 0.92 0.00 0.00 42 N 9.01 5.36 0.00 2.52 2.83 0.00 0.00 6.50 7.29 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 43 W 9.07 5.25 0.00 3.09 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 44 V 9.47 5.22 2.21 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 1.20 0.00 0.00 1.18 0.00 0.00 45 R 8.74 5.02 0.00 0.94 1.30 0.00 2.43 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 46 Q 9.06 4.76 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 47 S 8.67 4.98 0.00 4.04 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 48 P 0.00 4.15 0.00 2.08 2.07 0.00 3.78 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 2.16 0.00 49 G 8.88 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 0.00 0.00 0.00 50 K 7.88 4.45 0.00 1.90 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.51 7.81 51 G 8.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.75 0.00 1.55 1.66 0.87 0.82 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 53 E 8.85 4.77 0.00 2.09 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 2.21 2.30 0.00 54 W 9.22 4.48 0.00 3.37 3.33 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 55 L 8.39 4.25 0.00 1.69 1.60 1.17 0.64 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 56 G 6.11 3.29 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 0.00 57 V 7.84 4.94 2.47 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 0.65 0.00 0.00 -0.05 0.00 0.00 58 I 8.22 4.65 1.81 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 1.24 1.45 0.93 0.00 0.00 59 W 8.83 4.73 0.00 3.54 3.12 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 60 G 9.49 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 0.00 0.00 0.00 0.00 *65 D 7.47 4.72 0.00 2.85 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 66 G 8.18 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 0.00 0.00 0.00 67 I 7.86 4.04 2.19 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 1.31 0.79 1.09 0.00 0.00 68 T 8.58 5.06 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 0.37 0.00 0.00 69 D 8.68 5.09 0.00 2.89 2.93 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 70 Y 8.73 4.98 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.84 0.00 2.97 2.72 0.00 0.00 7.28 7.09 0.00 0.00 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 S 9.35 4.10 0.00 4.09 4.14 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 73 A 8.32 4.60 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 74 L 7.91 4.65 0.00 1.68 1.66 0.96 1.19 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 75 K 8.19 3.73 0.00 1.94 1.77 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.43 7.81 76 S 7.98 4.11 0.00 3.85 3.86 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 77 R 8.19 4.44 0.00 1.80 2.02 0.00 3.04 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 78 L 7.25 5.34 0.00 1.70 1.51 0.92 0.49 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 79 S 9.21 4.70 0.00 3.76 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 80 V 8.71 5.00 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 1.07 0.00 0.00 0.90 0.00 0.00 81 T 8.90 5.09 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 1.27 0.00 0.00 82 K 8.59 4.91 0.00 1.84 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.49 7.81 83 D 8.69 4.79 0.00 3.02 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 84 N 8.92 4.30 0.00 2.78 2.85 0.00 0.00 7.06 7.57 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 85 S 8.12 4.24 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.26 0.00 1.81 1.84 0.00 2.07 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.51 7.81 87 S 7.52 3.59 0.00 3.94 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 88 Q 7.22 4.90 0.00 1.63 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.47 0.00 89 V 7.96 4.58 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 1.31 0.00 0.00 0.83 0.00 0.00 90 F 9.74 5.52 0.00 2.96 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 91 L 8.70 4.76 0.00 0.27 0.13 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.79 4.89 0.00 1.76 1.48 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.29 7.81 93 M 8.69 5.09 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 94 N 9.32 5.02 0.00 2.50 2.66 0.00 0.00 7.19 7.84 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 95 S 8.36 3.65 0.00 3.94 3.86 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 96 L 7.66 4.40 0.00 1.71 1.57 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 9.25 4.81 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 98 S 9.00 4.11 0.00 3.89 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 99 G 8.05 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 0.00 100 D 8.85 4.65 0.00 2.76 2.85 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 0.00 0.00 0.00 0.00 101 S 8.00 4.47 0.00 3.88 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 0.00 102 A 7.99 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.88 4.90 0.00 1.97 1.89 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.00 104 Y 9.26 5.09 0.00 3.01 3.05 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 0.00 0.00 0.00 105 Y 10.13 5.58 0.00 2.91 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 0.00 106 C 8.88 4.40 0.00 1.86 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 0.00 107 V 7.85 4.60 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 0.14 0.00 0.00 -0.61 0.00 0.00 108 T 7.83 4.07 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 1.06 0.00 0.00 109 G 8.63 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 0.00 110 L 7.72 4.38 0.00 1.79 1.63 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *136 F 8.18 4.96 0.00 3.31 3.35 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 0.00 137 D 7.79 4.50 0.00 2.45 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.35 4.85 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 9.15 4.94 0.00 3.14 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 0.00 140 G 8.60 4.33 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 0.00 141 Q 8.88 4.40 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 142 G 8.19 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 0.00 0.00 0.00 143 T 8.09 4.67 4.32 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 1.23 0.00 0.00 144 T 8.63 4.78 4.27 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 1.25 0.00 0.00 145 L 9.49 4.67 0.00 1.69 1.89 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.66 4.84 4.26 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 1.23 0.00 0.00 147 V 8.80 3.99 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 0.77 0.00 0.00 0.93 0.00 0.00 148 S 8.53 4.32 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.