NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2231 0.0000 0.0000 62.4887 32.7880 176.4045 4 E 4.1823 8.2571 121.6560 54.2710 29.0280 172.9047 5 T 4.6835 8.1102 116.4610 59.8021 72.2070 173.3082 6 N 5.0251 8.4766 119.6316 51.9502 38.2880 172.9904 7 E 5.0273 7.5464 116.4358 55.8729 33.0035 174.2090 8 T 4.7698 8.7797 116.1351 59.6439 71.9319 173.0153 9 L 4.0801 8.7083 121.8483 58.0130 42.0599 178.2450 10 K 4.4510 7.9412 115.0387 56.3032 33.5367 176.2254 11 L 4.8851 7.9879 118.6292 52.5688 44.6104 175.1362 12 I 4.7553 8.2206 121.1465 58.9250 40.8366 175.2233 13 G 3.9341 9.0784 116.9653 44.6766 0.0000 174.9738 14 S 4.2349 8.7611 117.7466 61.0175 63.0221 175.9161 15 D 4.5473 8.0339 118.5594 54.6133 39.8693 176.9374 16 K 4.2030 8.2204 121.3388 58.4880 33.2461 177.4643 17 V 3.9264 8.1117 118.2095 66.0400 31.4905 176.0259 18 Q 4.4963 7.9294 118.6516 57.1931 28.7572 176.8003 19 G 4.0370 9.4757 112.2092 45.3404 0.0000 173.7324 20 T 4.1540 7.7445 117.2527 63.2725 69.5222 174.0642 21 A 4.4271 8.8118 127.8815 52.0537 20.1582 176.0955 22 V 4.8035 8.5664 120.8473 61.3180 34.3075 174.1038 23 Y 4.9915 9.5396 125.5480 56.2679 41.4549 176.3049 24 G 4.2507 8.5005 111.6070 43.4530 0.0000 172.6880 25 P 4.1616 0.0000 0.0000 65.3808 31.1866 177.2711 26 D 4.5119 8.0667 114.7974 53.1780 39.7244 176.9460 27 G 3.8346 8.3578 108.1316 45.8560 0.0000 172.8051 28 E 4.6427 8.2388 120.5535 53.6327 31.1226 175.2101 29 K 4.0181 8.6424 127.0647 56.6489 32.8488 176.1508 30 I 3.9715 8.3775 127.9100 62.7774 37.9692 175.9428 31 G 4.2805 7.3773 110.1911 46.5208 0.0000 172.2287 32 S 5.2131 8.2404 116.9339 56.9798 67.5007 173.9048 33 I 4.4518 8.7571 122.2470 61.3915 37.2521 176.7394 34 E 4.2940 9.4635 129.6281 58.4781 30.5487 176.1306 35 R 4.5307 7.5394 113.1069 56.0709 32.3002 173.5365 36 V 4.4160 8.0301 112.1398 61.0115 31.8101 175.8817 *38 I 3.9066 8.1164 126.0362 61.7600 38.3150 175.1604 39 E 4.0291 8.9261 125.0347 56.2786 29.6302 178.2760 40 K 3.9002 8.7583 124.1385 59.3070 32.4134 178.4026 41 V 3.8604 7.7375 117.2521 64.4453 31.8566 176.5606 42 S 4.3756 8.0438 112.4430 57.6854 63.9113 175.2511 43 G 3.8558 8.1990 108.1358 45.4514 0.0000 173.5213 44 R 4.1105 7.8018 119.8010 54.7456 31.0297 176.1445 45 V 3.8047 7.8844 122.3758 62.9768 32.0224 175.6719 46 S 4.3475 8.6803 122.6079 60.9626 62.6810 172.9901 47 Y 5.0610 7.0413 113.8892 56.2422 40.3861 173.2616 48 A 4.7930 9.2723 122.6139 50.4404 22.1408 176.2971 49 V 4.3947 8.9913 121.8344 61.6049 33.0105 174.8722 50 L 4.8402 9.2242 132.3773 54.6971 43.2363 175.2376 51 S 5.4136 9.1560 122.8192 57.2686 63.9820 172.8534 52 F 5.0856 8.7976 121.3223 56.1780 41.6531 174.2355 53 G 4.0605 9.1525 110.4700 45.0135 0.0000 176.8748 54 G 3.6035 7.9029 108.8487 46.4436 0.0000 175.7258 55 F 4.9446 8.8154 121.2820 54.5971 42.2806 173.1462 56 L 4.1755 8.7614 123.3621 57.6884 41.1497 176.9119 57 G 4.0769 9.7434 113.6869 44.7389 0.0000 172.2472 58 I 4.3005 7.7318 119.9881 60.6368 38.7220 176.5229 59 G 3.9590 8.9830 114.1319 45.2318 0.0000 172.2854 60 D 4.7784 7.5579 118.4191 52.6185 40.9016 175.1500 61 D 4.7728 8.4630 119.1842 52.8671 44.1029 175.0547 62 H 5.7598 8.5372 115.9238 54.4427 32.5078 172.7161 63 Y 4.6937 9.3764 123.2335 55.1654 42.0126 172.1659 64 P 5.0503 0.0000 0.0000 62.3312 32.6444 175.2872 65 L 4.8031 8.9275 125.3497 51.9702 44.1389 174.6013 66 P 4.6556 0.0000 0.0000 62.5433 32.4338 177.5051 67 W 4.0751 9.1186 131.9423 60.2139 30.8490 176.6740 68 P 4.2846 0.0000 0.0000 64.9608 30.8762 177.3897 69 A 3.9734 7.6889 119.9829 53.8255 18.3807 177.2197 70 L 4.0831 7.2063 116.3841 53.4255 41.6498 176.2073 71 K 4.5833 8.1435 124.6482 54.3555 34.1721 175.5136 72 Y 4.3644 8.9245 127.4910 57.6286 39.7345 174.4907 73 N 4.5420 8.1534 126.0521 51.6736 40.2467 175.0212 74 V 3.5693 8.4551 126.8713 66.0931 32.0109 177.0818 75 E 4.0516 8.2223 117.4819 59.5516 29.2982 178.5632 76 L 3.6476 8.4406 117.0292 55.3815 41.8246 177.1303 77 G 3.6671 8.1809 106.3594 46.0930 0.0000 172.7490 78 G 4.1129 6.4531 104.8749 45.7761 0.0000 172.8542 79 Y 4.9858 8.2840 117.6883 57.9207 39.1991 174.9758 80 Q 5.1755 9.4567 124.4813 53.4422 31.9594 173.2917 81 V 4.5396 8.7416 119.9704 61.4332 34.8560 178.1056 *83 V 3.7756 8.5592 121.9284 62.2927 32.3926 175.4550 84 T 4.3589 7.7844 113.7810 60.3920 71.8512 176.1693 85 V 3.4879 8.0270 120.3815 66.3128 31.2931 177.7648 86 D 4.6666 7.8307 118.5130 56.7388 41.0535 178.3769 87 Q 4.1634 7.9691 118.5833 59.0717 28.6501 178.6112 88 L 3.6963 7.6603 119.8551 57.9183 41.4549 179.5791 89 E 4.1685 8.3688 118.3609 58.3785 29.1866 177.9866 90 R 4.5080 7.6049 116.9172 54.8173 32.0747 176.4247 91 A 4.2535 7.4282 122.3496 51.4528 19.1643 176.9707 92 P 4.4136 0.0000 0.0000 62.8628 31.3301 176.4119 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 3 P 0.00 4.22 0.00 2.19 2.21 0.00 3.72 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 1.88 1.96 0.00 4 E 8.26 4.18 0.00 2.00 1.93 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 2.22 2.42 0.00 5 T 8.11 4.68 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 1.21 0.00 0.00 6 N 8.48 5.03 0.00 3.02 3.00 0.00 0.00 5.67 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 7 E 7.55 5.03 0.00 1.86 1.78 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 2.19 2.37 0.00 8 T 8.78 4.77 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 1.21 0.00 0.00 9 L 8.71 4.08 0.00 1.61 1.75 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.94 4.45 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.45 7.81 11 L 7.99 4.89 0.00 1.68 1.52 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.22 4.76 1.99 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 1.51 0.88 1.23 0.00 0.00 13 G 9.08 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 0.00 0.00 0.00 14 S 8.76 4.23 0.00 4.03 4.16 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 0.00 0.00 0.00 0.00 15 D 8.03 4.55 0.00 2.83 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 16 K 8.22 4.20 0.00 1.72 2.00 0.00 1.80 0.00 0.00 1.61 0.00 0.00 3.22 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 17 V 8.11 3.93 2.40 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 1.24 0.00 0.00 1.33 0.00 0.00 18 Q 7.93 4.50 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 19 G 9.48 4.04 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 0.00 0.00 0.00 20 T 7.74 4.15 4.50 0.00 0.00 0.00 0.00 0.00 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 21 A 8.81 4.43 1.17 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 22 V 8.57 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 0.98 0.00 0.00 1.04 0.00 0.00 23 Y 9.54 4.99 0.00 2.83 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 24 G 8.50 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.16 0.00 2.02 2.12 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 26 D 8.07 4.51 0.00 2.75 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 27 G 8.36 3.83 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 0.00 0.00 0.00 28 E 8.24 4.64 0.00 2.05 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 2.24 2.25 0.00 29 K 8.64 4.02 0.00 1.56 1.63 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 0.98 7.81 30 I 8.38 3.97 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.59 0.68 0.00 0.00 31 G 7.38 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 0.00 0.00 0.00 0.00 32 S 8.24 5.21 0.00 4.01 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 33 I 8.76 4.45 2.26 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 1.10 0.00 0.00 34 E 9.46 4.29 0.00 2.00 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 2.33 2.31 0.00 35 R 7.54 4.53 0.00 1.97 1.98 0.00 2.97 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 36 V 8.03 4.42 2.09 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 0.98 0.00 0.00 0.93 0.00 0.00 *38 I 8.12 3.91 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.88 0.00 0.00 39 E 8.93 4.03 0.00 1.95 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 2.32 2.38 0.00 40 K 8.76 3.90 0.00 1.72 1.86 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 41 V 7.74 3.86 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 0.81 0.00 0.00 0.92 0.00 0.00 42 S 8.04 4.38 0.00 3.98 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 43 G 8.20 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 0.00 0.00 0.00 44 R 7.80 4.11 0.00 1.83 1.78 0.00 3.10 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 45 V 7.88 3.80 1.71 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 0.87 0.00 0.00 0.50 0.00 0.00 46 S 8.68 4.35 0.00 3.84 3.77 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 47 Y 7.04 5.06 0.00 3.08 2.87 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 48 A 9.27 4.79 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 49 V 8.99 4.39 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 0.75 0.00 0.00 1.11 0.00 0.00 50 L 9.22 4.84 0.00 1.90 1.96 1.02 0.39 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 51 S 9.16 5.41 0.00 4.33 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.80 5.09 0.00 3.30 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 53 G 9.15 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 54 G 7.90 3.60 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 0.00 0.00 0.00 55 F 8.82 4.94 0.00 3.27 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.18 0.00 1.72 1.76 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.74 4.08 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 0.00 58 I 7.73 4.30 1.98 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 1.25 0.82 0.99 0.00 0.00 59 G 8.98 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 60 D 7.56 4.78 0.00 2.60 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.77 0.00 1.58 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 0.00 0.00 0.00 62 H 8.54 5.76 0.00 3.03 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 9.38 4.69 0.00 3.10 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 64 P 0.00 5.05 0.00 1.66 1.29 0.00 2.36 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 65 L 8.93 4.80 0.00 1.64 1.62 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.66 0.00 2.12 2.06 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 67 W 9.12 4.08 0.00 3.42 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 68 P 0.00 4.28 0.00 2.11 2.16 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 69 A 7.69 3.97 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 70 L 7.21 4.08 0.00 0.75 0.37 -0.03 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.14 4.58 0.00 1.82 1.74 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.32 7.81 72 Y 8.92 4.36 0.00 3.03 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 73 N 8.15 4.54 0.00 2.55 2.43 0.00 0.00 6.48 7.73 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 74 V 8.46 3.57 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 0.89 0.00 0.00 1.03 0.00 0.00 75 E 8.22 4.05 0.00 2.06 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 2.26 2.28 0.00 76 L 8.44 3.65 0.00 0.98 0.45 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.18 3.67 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 0.00 0.00 0.00 78 G 6.45 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 79 Y 8.28 4.99 0.00 2.97 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 80 Q 9.46 5.18 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.45 0.00 0.00 0.00 0.00 0.00 2.23 2.58 0.00 81 V 8.74 4.54 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 0.87 0.00 0.00 0.85 0.00 0.00 *83 V 8.56 3.78 1.67 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 0.46 0.00 0.00 0.64 0.00 0.00 84 T 7.78 4.36 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 1.16 0.00 0.00 85 V 8.03 3.49 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 1.04 0.00 0.00 0.88 0.00 0.00 86 D 7.83 4.67 0.00 2.67 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 87 Q 7.97 4.16 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 88 L 7.66 3.70 0.00 1.59 1.20 0.54 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.37 4.17 0.00 2.26 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 2.37 2.63 0.00 90 R 7.60 4.51 0.00 1.87 1.97 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 91 A 7.43 4.25 1.71 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 0.00 0.00 92 P 0.00 4.41 0.00 1.96 1.92 0.00 3.52 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 1.83 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.