NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4877 8.1685 120.0903 56.6574 34.2437 174.1712 3 A 4.9680 8.6470 124.3501 50.6316 23.5482 173.4326 4 S 4.9952 10.0605 114.7645 57.1519 66.7466 171.3391 5 I 5.1603 8.7821 127.0986 59.4454 40.7619 174.4593 6 A 5.0218 8.8671 126.5688 50.2351 21.7090 174.5750 7 L 4.9416 9.4987 126.1372 53.6396 44.7697 174.9998 8 Q 4.9374 9.0693 126.8184 54.3506 32.1898 173.6244 9 V 4.7325 8.6276 126.3051 61.1333 33.8258 174.5581 10 L 4.7208 9.2118 128.4474 52.4919 43.1803 175.8003 11 P 4.1915 0.0000 0.0000 63.4345 32.1245 176.7998 12 L 3.6117 7.9668 116.5870 55.8016 38.6180 172.5630 13 V 4.4280 7.1226 115.5773 60.9904 35.1968 174.2513 14 Q 4.2645 8.6414 121.1352 55.3401 29.3960 177.0326 15 G 4.0040 8.6321 115.4169 46.9049 0.0000 175.4172 16 I 3.5295 8.0874 123.3171 64.3137 37.1232 177.1394 17 D 4.5555 7.6387 117.8571 56.3487 41.2166 177.7622 18 R 4.2689 8.7684 116.6694 58.2938 30.2025 179.2128 19 I 4.0922 7.1656 105.7392 60.7578 37.0908 176.1821 20 A 4.5926 8.5437 126.1011 54.0492 21.0976 180.0604 21 V 3.7115 7.5952 108.7205 64.3589 31.5722 178.6837 22 I 3.8712 7.6757 119.4112 64.2670 37.0367 177.8657 23 D 4.4633 7.9536 119.2246 57.0495 40.7048 178.6904 24 Q 4.0032 8.2361 119.0612 58.9270 28.7537 178.7433 25 V 3.7328 7.9458 119.3439 65.8016 31.4672 178.2847 26 I 3.7047 7.9292 119.4670 64.2457 36.7904 178.0822 27 A 3.9632 7.9732 120.3659 55.3606 18.6446 178.5723 28 Y 4.1955 8.1315 117.8799 61.0023 38.9793 178.2794 29 L 3.7173 7.9792 119.6282 58.0624 41.5283 179.6966 30 Q 3.9903 8.0189 116.6701 59.1517 28.6196 178.7403 31 T 3.9246 7.3676 116.2356 65.5709 68.6630 175.1609 32 Q 4.0838 6.7051 118.1986 55.8087 29.8668 176.1840 33 E 4.4383 8.2986 120.5107 55.9237 28.6982 176.5752 34 V 4.5729 6.9540 117.1764 59.8269 35.0444 177.5209 35 T 4.0044 7.9168 119.0370 63.6621 70.1930 173.4882 *37 V 4.0827 8.1125 122.0043 62.9385 33.0594 174.3757 38 V 4.2827 8.4927 128.1008 61.9857 31.2931 175.0262 39 T 4.6398 8.2905 117.2377 58.7921 71.2059 173.3791 40 P 4.3963 0.0000 0.0000 65.0064 31.2481 177.4968 41 F 4.7906 7.6512 114.6412 57.3261 41.2655 174.8233 42 E 4.9869 7.9529 115.9895 55.4526 33.4013 174.1274 43 T 4.9290 9.4697 119.2324 62.1857 70.5467 173.7991 44 V 4.7079 8.8503 127.7467 61.6554 32.6852 175.0385 45 L 5.1245 9.2410 127.9198 53.0492 44.6771 175.1075 46 E 5.0005 9.5848 122.0049 53.7436 33.3295 175.6767 47 G 4.0568 7.8877 112.3449 45.3761 0.0000 171.0361 48 E 4.3630 8.2510 119.3256 55.8884 31.0579 177.0641 49 F 4.2969 8.9583 125.7533 61.8804 39.4928 176.7577 50 D 4.3783 8.2337 116.4269 57.5105 40.9681 178.4621 51 E 4.1451 8.0575 117.3230 59.1695 29.6564 179.5349 52 L 4.2409 7.7304 118.8208 54.5510 41.6570 179.1691 *54 R 4.1623 7.9731 120.4021 56.5314 32.0028 177.4824 55 I 3.9970 8.2117 120.1958 63.6126 36.9612 178.0818 56 L 3.9206 8.5903 121.6382 58.1286 41.9630 178.9435 57 K 3.8641 7.9627 118.8932 59.5921 32.1144 178.4276 58 E 3.9103 8.2402 118.5550 59.1712 29.3585 178.9279 59 A 3.8553 8.4473 121.1272 55.4021 18.3525 179.7772 60 L 3.9319 8.0031 117.2627 57.9303 41.4329 179.6278 61 E 3.8920 7.8823 117.7860 59.0416 29.5829 179.3578 62 V 3.5861 7.9921 118.5970 65.9788 31.2249 177.8684 63 A 4.0973 8.0774 120.6388 55.2262 18.0098 179.6936 64 G 3.3554 8.3084 102.8467 46.3216 0.0000 174.3166 65 Q 4.6754 7.5364 122.4421 54.7255 28.9167 175.0489 66 E 4.6669 7.8827 116.0155 56.7848 35.0523 173.9205 67 A 4.6759 7.3222 119.2330 51.6865 22.3034 176.0028 68 D 4.4860 8.6335 119.9403 55.6251 41.4770 176.4973 69 N 4.8864 8.0758 115.2954 51.2990 40.4838 173.4626 70 V 4.5002 8.3986 123.1496 60.8375 34.1982 174.2676 71 F 4.9034 9.1676 129.6262 56.3246 42.0945 173.7578 72 A 5.0877 7.1767 125.5473 50.2482 22.5312 174.6063 73 N 4.9445 9.1049 118.1867 51.5317 41.1876 174.3215 74 V 4.9437 8.2774 122.0122 61.0735 35.2608 174.3129 75 K 4.6633 8.9804 126.3173 54.7074 34.6898 174.9416 76 I 4.9859 8.4613 125.6592 59.5098 39.6477 174.6954 77 N 4.9278 9.2230 124.6975 52.0225 41.7496 173.3152 78 V 4.6245 8.7653 118.8895 59.9587 35.0663 175.0027 79 G 3.7709 7.8524 109.7321 44.8232 0.0000 175.6494 80 E 4.2688 8.5059 117.5838 55.2785 28.0658 175.6665 81 I 4.2179 7.1096 113.6693 59.6414 39.8785 175.8402 82 L 4.6345 8.2915 120.4267 52.6423 42.7978 177.8054 83 S 4.4806 8.5416 117.9390 58.3945 64.9265 175.5334 84 I 3.7041 8.7435 123.2443 64.5814 36.8142 178.3291 85 D 4.3627 8.1249 119.1110 57.6329 40.2562 178.6417 86 E 4.0771 8.0828 118.6277 59.4575 29.2673 179.7048 87 K 3.9830 8.0528 117.1089 60.2737 32.2049 178.6273 88 L 3.5959 8.2433 117.0783 57.7891 43.4325 177.3876 89 E 4.3072 7.7897 122.3273 53.8726 28.4285 176.8972 90 K 4.0417 8.0148 121.6688 56.6977 32.0875 177.0426 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 K 8.17 4.49 0.00 1.88 1.81 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 A 8.65 4.97 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 4 S 10.06 5.00 0.00 3.88 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 5 I 8.78 5.16 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.93 0.00 0.00 6 A 8.87 5.02 1.28 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 7 L 9.50 4.94 0.00 1.71 1.65 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 9.07 4.94 0.00 2.31 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 9 V 8.63 4.73 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 0.90 0.00 0.00 0.94 0.00 0.00 10 L 9.21 4.72 0.00 1.76 1.65 1.12 0.97 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 11 P 0.00 4.19 0.00 2.06 2.14 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 12 L 7.97 3.61 0.00 1.80 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.12 4.43 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 0.85 0.00 0.00 0.99 0.00 0.00 14 Q 8.64 4.26 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.50 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 15 G 8.63 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 16 I 8.09 3.53 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.91 0.00 0.00 17 D 7.64 4.56 0.00 2.71 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 18 R 8.77 4.27 0.00 1.95 2.18 0.00 2.78 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 19 I 7.17 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.91 0.00 0.00 20 A 8.54 4.59 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 21 V 7.60 3.71 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 0.94 0.00 0.00 0.97 0.00 0.00 22 I 7.68 3.87 1.88 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 1.66 0.77 0.92 0.00 0.00 23 D 7.95 4.46 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 4.00 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.83 0.00 25 V 7.95 3.73 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 1.10 0.00 0.00 1.05 0.00 0.00 26 I 7.93 3.70 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 0.91 0.00 0.00 27 A 7.97 3.96 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 28 Y 8.13 4.20 0.00 3.13 3.25 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 29 L 7.98 3.72 0.00 2.07 1.65 1.04 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 30 Q 8.02 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 31 T 7.37 3.92 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 1.11 0.00 0.00 32 Q 6.71 4.08 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.46 0.00 0.00 0.00 0.00 0.00 1.70 2.23 0.00 33 E 8.30 4.44 0.00 1.92 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 2.23 2.25 0.00 34 V 6.95 4.57 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 0.69 0.00 0.00 0.96 0.00 0.00 35 T 7.92 4.00 4.38 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 1.26 0.00 0.00 *37 V 8.11 4.08 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 0.83 0.00 0.00 0.94 0.00 0.00 38 V 8.49 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 39 T 8.29 4.64 4.29 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 1.24 0.00 0.00 40 P 0.00 4.40 0.00 2.00 2.05 0.00 3.71 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 2.09 2.13 0.00 41 F 7.65 4.79 0.00 3.22 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 42 E 7.95 4.99 0.00 2.20 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 0.00 2.29 2.35 0.00 43 T 9.47 4.93 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 1.22 0.00 0.00 44 V 8.85 4.71 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 0.96 0.00 0.00 45 L 9.24 5.12 0.00 1.58 1.52 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.58 5.00 0.00 2.01 1.73 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 2.21 2.26 0.00 47 G 7.89 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 48 E 8.25 4.36 0.00 2.15 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 2.42 2.33 0.00 49 F 8.96 4.30 0.00 2.93 3.16 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 50 D 8.23 4.38 0.00 2.69 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 51 E 8.06 4.15 0.00 2.17 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 2.55 2.39 0.00 52 L 7.73 4.24 0.00 1.81 1.71 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *54 R 7.97 4.16 0.00 1.92 2.13 0.00 3.19 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 I 8.21 4.00 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 1.00 0.00 0.00 56 L 8.59 3.92 0.00 1.79 1.67 0.91 0.76 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 57 K 7.96 3.86 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 58 E 8.24 3.91 0.00 2.18 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 2.23 2.42 0.00 59 A 8.45 3.86 1.51 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 0.00 0.00 60 L 8.00 3.93 0.00 1.78 1.67 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.88 3.89 0.00 1.95 1.92 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 2.28 2.50 0.00 62 V 7.99 3.59 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 1.02 0.00 0.00 0.64 0.00 0.00 63 A 8.08 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.54 4.68 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 66 E 7.88 4.67 0.00 1.90 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 2.29 2.35 0.00 67 A 7.32 4.68 1.15 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 0.00 0.00 68 D 8.63 4.49 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 4.89 0.00 2.68 2.76 0.00 0.00 6.62 7.68 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 70 V 8.40 4.50 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 0.79 0.00 0.00 0.97 0.00 0.00 71 F 9.17 4.90 0.00 3.16 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 72 A 7.18 5.09 1.07 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 73 N 9.10 4.94 0.00 2.74 2.78 0.00 0.00 6.41 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 74 V 8.28 4.94 2.06 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 0.87 0.00 0.00 0.88 0.00 0.00 75 K 8.98 4.66 0.00 1.75 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.39 7.81 76 I 8.46 4.99 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.09 0.00 0.00 77 N 9.22 4.93 0.00 2.80 2.64 0.00 0.00 6.65 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 78 V 8.77 4.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.67 0.00 0.00 79 G 7.85 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 0.00 0.00 0.00 80 E 8.51 4.27 0.00 1.96 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 2.29 2.22 0.00 81 I 7.11 4.22 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.99 0.00 0.00 82 L 8.29 4.63 0.00 1.64 1.68 0.92 0.99 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 83 S 8.54 4.48 0.00 4.21 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 84 I 8.74 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.92 0.00 0.00 85 D 8.12 4.36 0.00 2.68 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 86 E 8.08 4.08 0.00 2.16 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 2.33 2.36 0.00 87 K 8.05 3.98 0.00 1.91 1.88 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.59 7.81 88 L 8.24 3.60 0.00 1.66 1.85 0.93 0.97 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 89 E 7.79 4.31 0.00 2.00 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 2.29 2.32 0.00 90 K 8.01 4.04 0.00 1.78 1.74 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.70 7.81 * Residues marked with a * may have inaccurate shift predictions.