NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.6057 8.2829 119.0076 55.9086 39.3975 178.5420 4 K 4.0307 8.8037 123.4924 60.6544 30.9768 176.1585 5 K 4.1944 8.0966 121.8229 60.7129 32.4652 183.5160 6 V 3.8087 7.9309 119.2572 65.4649 31.4429 177.4370 7 A 4.0257 8.2253 122.1059 56.1954 18.2431 180.5250 8 K 4.0241 8.2312 121.8206 59.7557 31.7330 181.2705 9 E 4.1326 8.3691 119.6892 59.5981 29.4570 179.1832 10 T 3.8426 8.0162 115.0647 66.9045 67.2065 175.9238 11 A 4.0111 8.0039 122.1810 55.4687 18.3775 179.5701 12 I 3.9656 8.0569 117.0186 64.2075 37.9018 178.3346 13 T 3.8267 8.0309 116.9141 66.4888 68.5077 176.0999 14 L 4.0909 8.4740 121.0744 56.7178 42.1084 177.5590 15 Q 4.4219 7.4616 120.6621 59.3940 30.0820 177.7168 16 S 4.7371 8.1574 119.4212 63.4690 62.4501 177.2137 17 A 4.2236 8.6806 124.1211 53.6015 17.9313 178.9949 18 L 3.9382 7.8929 116.4457 57.5454 42.1094 180.3933 19 T 3.8828 7.8345 115.3415 66.9084 68.3649 175.8904 20 L 3.8557 7.8902 120.3755 58.2649 41.6672 179.3754 21 Q 3.9645 8.1309 116.4496 59.2799 28.7291 179.4076 22 A 3.9814 8.0674 121.1837 55.4647 18.4084 179.7395 23 V 3.6074 8.0449 116.6485 66.2776 31.3739 178.4382 24 R 4.0232 8.5668 120.5707 59.7790 30.0313 179.2362 25 L 4.0046 7.9188 121.9739 59.8647 40.9257 181.5339 26 I 3.9144 8.0860 121.1007 64.1836 36.8429 178.3976 27 S 4.1447 8.3893 113.2931 61.4316 62.5396 176.0131 28 Q 4.1887 8.5080 122.9096 60.1920 28.5019 178.8214 29 Q 4.0556 8.1360 123.0070 59.7432 27.8333 180.3716 30 L 4.2909 7.8607 120.5675 57.7946 42.0482 178.2969 31 S 4.2025 7.8390 111.8343 59.4610 63.3964 174.6874 32 E 4.4557 7.5088 121.4407 57.1282 29.8369 175.5472 33 T 4.7290 7.4558 110.0652 65.2821 74.9670 173.8923 34 N 4.9740 9.0495 119.7259 50.8484 40.9397 172.6075 35 P 4.4410 0.0000 0.0000 65.2789 31.7135 178.7616 36 G 3.6937 8.1178 105.1371 47.7617 0.0000 175.2641 37 Q 4.0339 8.1058 121.5771 58.9635 29.0770 178.2247 38 A 4.1278 8.1714 121.7107 54.9634 18.3785 179.4247 39 I 3.7704 8.0500 117.5480 63.5867 37.9393 177.9034 40 W 4.0251 8.2376 129.5083 60.3550 30.5660 177.4989 41 L 3.8526 8.4761 120.4153 58.2031 41.2922 179.1574 42 G 3.6333 7.6702 103.9128 47.7799 0.0000 174.8935 43 E 3.9971 7.9975 121.8741 58.8098 29.7646 178.5656 44 F 3.7154 7.9090 120.9609 61.3755 39.1764 177.1780 45 S 4.5763 8.4431 115.3480 61.1383 62.5849 177.2081 46 K 4.0882 7.4477 126.1846 59.8446 31.7535 184.7268 47 R 4.2622 7.7366 117.5298 57.3504 29.9099 176.4141 48 H 4.5093 7.3050 114.4321 52.6936 31.1273 170.7932 49 P 4.1063 0.0000 0.0000 63.4168 30.5613 175.6453 50 I 3.6340 8.0812 126.0099 61.6662 37.8066 177.3029 51 Q 4.1584 7.5762 119.9593 56.8337 28.4078 180.2579 52 E 4.3995 7.8611 118.0952 54.5267 27.9372 176.8423 53 S 4.1888 8.2683 124.4296 62.9812 63.2431 175.8612 54 D 4.4549 8.0982 120.5550 57.2305 40.7001 178.7076 55 L 4.0344 7.9324 119.1114 57.9993 41.7494 178.3932 56 Y 4.1839 8.4041 119.5959 60.9172 38.7518 178.1079 57 L 3.8829 9.1162 120.5738 57.7866 41.4902 178.8792 58 E 3.8559 8.5374 119.1451 59.7725 29.2205 179.0092 59 A 4.0512 8.3128 120.4386 55.2643 18.4366 179.2138 60 M 3.8513 8.0287 116.6205 58.3431 31.8977 178.1907 61 M 3.9893 7.7650 120.6306 59.1543 32.5072 178.2453 62 L 4.1321 7.3854 120.9607 59.3937 41.0471 180.4389 63 E 4.5304 7.5380 116.4555 57.5669 31.6028 176.8315 64 N 4.6988 8.5103 116.2611 50.1119 39.2559 174.2819 65 K 3.7886 7.9956 122.3943 60.6037 32.8980 178.8537 66 E 3.9500 7.9343 118.8138 58.8214 29.3530 178.8459 67 L 3.9741 7.9848 120.6515 57.8527 42.1376 179.1800 68 V 3.5417 7.5675 117.8177 65.9131 31.4634 177.6689 69 L 3.9637 7.9241 118.7734 58.0259 41.4957 179.6439 70 R 3.9212 7.8464 118.0702 59.1502 29.9132 178.4497 71 I 3.6969 8.0062 120.1224 64.5653 37.0606 178.1868 72 L 4.0195 8.0262 119.5467 58.2016 41.3554 179.9605 73 T 3.8639 7.7338 115.4809 66.5411 68.3738 176.9680 74 V 3.5938 7.7050 120.3045 66.1180 31.5925 178.2963 75 R 3.9207 8.3862 116.1337 59.0344 29.0642 178.5431 76 E 3.8642 8.0203 119.9743 59.4221 29.6958 178.4789 77 N 4.3180 8.3898 116.6304 56.2093 38.3360 177.5553 78 L 3.9563 8.2659 120.4455 57.6782 41.7538 178.8981 79 A 4.3597 8.0029 120.6401 55.7486 18.0853 179.1747 80 E 3.9531 8.2625 115.4176 59.9650 29.6727 179.9431 81 G 3.7845 8.2922 105.1476 47.7215 0.0000 175.3503 82 V 3.9333 8.9489 121.8191 65.5158 31.8634 178.0547 83 L 3.8845 8.3850 119.1450 58.1405 41.5434 179.1825 84 E 4.4385 8.2076 112.6951 56.6721 29.0231 177.5099 85 F 4.6197 8.5492 120.2292 58.3626 40.6451 177.6056 86 L 4.0635 7.8239 118.5915 57.3947 41.5413 177.2512 87 P 4.5444 0.0000 0.0000 66.6733 30.7782 178.8706 88 E 4.0350 8.2563 116.0944 61.6523 29.3872 180.9391 89 M 4.3329 7.7300 117.7668 58.3627 32.2523 178.8119 90 V 3.4918 8.7553 119.3526 65.9723 31.6667 177.9963 91 L 3.8905 7.8667 119.7207 58.3628 42.1992 178.9282 92 S 4.2626 7.7700 112.0890 61.4020 62.2376 176.2956 93 Q 4.0066 8.8848 121.4221 58.9429 28.4930 178.5859 94 I 3.7309 7.7178 120.8362 64.2141 37.1190 178.5149 95 K 3.9104 8.5911 119.6716 59.6733 31.8949 178.8402 96 Q 3.8866 7.9816 119.2223 59.1073 29.0120 177.8284 97 S 4.1059 8.6575 114.2708 61.9204 62.4223 176.0455 98 N 4.4407 8.7013 119.2469 56.4189 38.2515 177.6322 99 G 3.5699 8.0284 106.7791 47.9805 0.0000 175.4197 100 N 4.3166 8.2680 119.6338 56.2072 38.5408 177.2130 101 H 4.2474 8.2909 117.3471 58.9353 28.6652 177.6837 102 R 3.9390 7.7492 118.5550 60.1924 30.2827 178.7949 103 R 4.0388 8.7744 118.2817 58.6391 30.1021 178.8808 104 S 4.2557 9.1277 115.3525 61.5884 62.7235 176.6562 105 L 3.9089 8.4298 124.2280 58.3107 41.7175 179.0600 106 L 4.1910 8.3980 119.6788 58.1411 41.5142 179.4949 107 E 4.1721 8.2776 120.5484 61.2410 29.9445 183.9721 108 R 4.3083 8.1946 124.4889 62.0949 29.5281 179.8744 109 L 4.5415 7.7714 125.1385 56.8278 41.1420 179.7787 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 F 8.28 4.61 0.00 2.22 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 0.00 0.00 0.00 4 K 8.80 4.03 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.13 7.81 5 K 8.10 4.19 0.00 1.85 1.75 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.06 7.81 6 V 7.93 3.81 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 0.98 0.00 0.00 0.93 0.00 0.00 7 A 8.23 4.03 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 8 K 8.23 4.02 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.37 4.13 0.00 2.13 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 2.33 2.59 0.00 10 T 8.02 3.84 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 1.21 0.00 0.00 11 A 8.00 4.01 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 12 I 8.06 3.97 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 1.33 1.06 0.00 0.00 13 T 8.03 3.83 4.48 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 0.00 0.00 0.00 1.21 0.00 0.00 14 L 8.47 4.09 0.00 1.86 1.78 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.46 4.42 0.00 2.42 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 16 S 8.16 4.74 0.00 3.77 3.80 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 17 A 8.68 4.22 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 18 L 7.89 3.94 0.00 1.76 1.79 0.94 0.77 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 19 T 7.83 3.88 4.41 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 1.29 0.00 0.00 20 L 7.89 3.86 0.00 1.93 1.69 0.88 0.68 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 21 Q 8.13 3.96 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 22 A 8.07 3.98 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 23 V 8.04 3.61 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 1.15 0.00 0.00 1.13 0.00 0.00 24 R 8.57 4.02 0.00 2.02 1.97 0.00 3.20 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 25 L 7.92 4.00 0.00 1.66 1.70 0.92 0.89 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 26 I 8.09 3.91 2.12 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 1.43 0.87 0.96 0.00 0.00 27 S 8.39 4.14 0.00 4.06 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 28 Q 8.51 4.19 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.50 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 29 Q 8.14 4.06 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 30 L 7.86 4.29 0.00 2.14 1.90 0.94 0.90 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 31 S 7.84 4.20 0.00 4.12 4.13 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 0.00 0.00 0.00 0.00 32 E 7.51 4.46 0.00 2.27 2.16 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 2.26 2.33 0.00 33 T 7.46 4.73 4.46 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 1.21 0.00 0.00 34 N 9.05 4.97 0.00 2.58 2.65 0.00 0.00 6.79 7.59 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 35 P 0.00 4.44 0.00 2.32 2.32 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 36 G 8.12 3.69 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 0.00 0.00 0.00 37 Q 8.11 4.03 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 38 A 8.17 4.13 1.43 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 39 I 8.05 3.77 2.19 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 1.44 1.36 1.01 0.00 0.00 40 W 8.24 4.03 0.00 3.60 3.48 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 0.00 0.00 0.00 0.00 41 L 8.48 3.85 0.00 2.08 1.80 1.07 1.05 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 42 G 7.67 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 0.00 0.00 0.00 43 E 8.00 4.00 0.00 2.25 1.80 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 2.25 2.29 0.00 44 F 7.91 3.72 0.00 1.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.44 4.58 0.00 3.91 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 46 K 7.45 4.09 0.00 1.90 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.74 4.26 0.00 1.57 1.64 0.00 3.05 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 48 H 7.31 4.51 0.00 2.77 3.23 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.11 0.00 2.19 2.22 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 50 I 8.08 3.63 0.57 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.65 0.00 0.00 51 Q 7.58 4.16 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 52 E 7.86 4.40 0.00 2.21 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 2.61 2.38 0.00 53 S 8.27 4.19 0.00 3.93 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 54 D 8.10 4.45 0.00 2.73 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 55 L 7.93 4.03 0.00 1.75 1.80 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.40 4.18 0.00 3.15 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 57 L 9.12 3.88 0.00 1.86 1.75 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.54 3.86 0.00 2.40 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 0.00 2.33 2.37 0.00 59 A 8.31 4.05 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 60 M 8.03 3.85 0.00 1.87 1.39 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.29 0.00 61 M 7.76 3.99 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 62 L 7.39 4.13 0.00 1.78 1.59 0.92 0.85 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 63 E 7.54 4.53 0.00 2.12 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 0.00 2.49 2.42 0.00 64 N 8.51 4.70 0.00 1.70 2.20 0.00 0.00 6.97 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.00 3.79 0.00 1.96 2.03 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.50 7.81 66 E 7.93 3.95 0.00 1.98 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 2.33 2.36 0.00 67 L 7.98 3.97 0.00 1.81 1.70 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.57 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 69 L 7.92 3.96 0.00 1.95 1.70 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.85 3.92 0.00 2.06 2.06 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 71 I 8.01 3.70 2.08 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 1.59 0.86 1.00 0.00 0.00 72 L 8.03 4.02 0.00 1.84 1.74 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.73 3.86 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 1.22 0.00 0.00 74 V 7.71 3.59 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 1.15 0.00 0.00 1.03 0.00 0.00 75 R 8.39 3.92 0.00 2.08 2.21 0.00 2.85 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 76 E 8.02 3.86 0.00 2.20 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 0.00 2.32 2.36 0.00 77 N 8.39 4.32 0.00 2.91 2.87 0.00 0.00 7.13 7.34 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 78 L 8.27 3.96 0.00 1.87 1.72 0.93 1.04 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 79 A 8.00 4.36 1.43 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 80 E 8.26 3.95 0.00 2.11 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 2.46 2.54 0.00 81 G 8.29 3.78 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 0.00 0.00 0.00 82 V 8.95 3.93 2.27 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 1.16 0.00 0.00 0.94 0.00 0.00 83 L 8.38 3.88 0.00 2.01 1.73 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.21 4.44 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 2.27 2.44 0.00 85 F 8.55 4.62 0.00 3.29 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 86 L 7.82 4.06 0.00 1.87 1.75 1.06 1.23 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 87 P 0.00 4.54 0.00 2.13 2.11 0.00 3.54 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 88 E 8.26 4.03 0.00 1.97 1.98 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 2.32 1.99 0.00 89 M 7.73 4.33 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.59 0.00 90 V 8.76 3.49 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 1.00 0.00 0.00 1.02 0.00 0.00 91 L 7.87 3.89 0.00 2.03 1.65 0.92 0.76 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 92 S 7.77 4.26 0.00 4.25 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 93 Q 8.88 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 94 I 7.72 3.73 2.09 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 1.53 0.65 0.91 0.00 0.00 95 K 8.59 3.91 0.00 1.75 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 96 Q 7.98 3.89 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 97 S 8.66 4.11 0.00 3.97 3.91 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 98 N 8.70 4.44 0.00 3.12 2.88 0.00 0.00 7.00 7.40 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 99 G 8.03 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 0.00 0.00 0.00 100 N 8.27 4.32 0.00 2.78 2.83 0.00 0.00 7.11 7.72 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 0.00 101 H 8.29 4.25 0.00 3.40 3.35 0.00 5.85 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 0.00 102 R 7.75 3.94 0.00 2.08 2.04 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 103 R 8.77 4.04 0.00 1.94 1.90 0.00 3.15 0.00 0.00 3.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 S 9.13 4.26 0.00 3.98 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 0.00 105 L 8.43 3.91 0.00 1.74 2.03 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.40 4.19 0.00 1.73 1.72 0.92 0.95 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 0.00 107 E 8.28 4.17 0.00 2.07 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 2.23 1.94 0.00 108 R 8.19 4.31 0.00 1.92 1.92 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 109 L 7.77 4.54 0.00 1.76 1.46 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.