NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5858 8.3231 116.7912 57.7829 66.1107 172.6456 9 G 3.8378 6.8515 114.6029 43.1895 0.0000 172.1175 10 K 4.6285 10.7800 130.6650 57.0722 30.8836 175.9079 11 R 3.9494 8.2425 120.2302 55.9044 27.7947 175.9409 12 P 4.3677 0.0000 0.0000 65.9767 32.1049 176.6144 13 I 3.7406 7.5318 117.7642 59.4336 37.6746 175.0693 14 V 4.6451 7.7904 119.3259 59.8661 32.4919 172.1614 15 A 4.2869 7.8331 125.0574 51.8549 19.4132 176.1322 16 N 5.1516 8.3282 112.3401 51.3832 40.5055 174.0406 17 S 4.7138 7.8321 114.0849 56.9846 66.0868 172.6815 18 I 4.7116 8.1317 119.9930 59.8256 38.7351 175.6473 19 Q 4.7508 8.9390 125.3966 54.0607 32.4004 175.5796 20 R 4.5721 8.5863 121.0777 56.4989 31.1698 176.5123 21 R 4.0312 8.8832 119.2937 58.2179 30.7735 176.5760 22 G 3.6914 8.0955 114.9458 45.7883 0.0000 172.0251 23 K 4.3989 8.1793 124.2675 55.0949 32.1035 175.4218 24 A 4.7455 8.2536 126.1719 51.3293 20.1336 176.3883 25 K 4.6958 9.2946 121.3333 53.6658 36.1467 176.0939 26 R 5.0209 8.1547 123.2527 55.6009 30.4012 172.9830 27 E 3.8963 8.2382 120.1588 56.5948 28.5844 177.0494 28 G 4.4325 6.7916 119.2329 45.4816 0.0000 174.9517 29 G 4.0432 9.3456 109.0530 45.6696 0.0000 174.7502 30 V 4.3418 7.3749 117.5640 58.3429 32.2635 174.6330 31 G 4.1951 7.6628 114.1243 44.0057 0.0000 172.7285 32 K 4.9050 8.5114 127.2892 54.6736 35.0651 174.4720 33 K 4.3656 8.4671 121.3695 59.3887 34.9136 175.4307 34 T 4.4390 7.9064 109.6935 62.2654 70.4157 173.9292 35 T 4.5187 8.3362 118.4968 59.5285 71.5622 173.2526 36 G 4.0295 8.6388 112.6587 45.9537 0.0000 173.0740 37 I 3.9513 8.9631 129.2679 63.1710 39.0636 175.7778 38 S 4.5965 7.5583 111.1242 57.1903 65.2250 175.9352 39 K 4.5260 8.8637 128.0677 56.5378 32.7684 176.8368 40 R 4.6756 8.3079 123.6447 54.7350 33.8521 173.9768 41 R 4.4593 8.6882 125.4160 56.3630 30.8129 175.6465 42 Q 4.7450 9.5021 124.6165 54.3681 33.1944 173.0177 43 Y 5.0546 8.7198 124.6432 55.3807 41.1573 173.3117 44 P 4.7385 0.0000 0.0000 61.0815 32.3118 173.8902 45 N 4.6268 8.4723 123.6932 52.6960 39.2596 175.4028 46 L 4.1074 8.3398 122.8900 55.8313 41.5318 177.5044 47 Q 4.3669 8.1324 122.0190 54.1903 29.0359 176.3426 48 K 3.9997 7.6362 124.5781 55.3245 31.9401 179.7090 49 V 3.9209 9.0516 112.3235 62.9118 31.6822 168.6360 50 R 4.9336 8.2193 124.4940 54.7490 32.3142 175.6530 51 V 4.2960 9.0403 125.0559 61.4045 34.4580 174.7062 52 R 5.1043 8.7634 128.7063 55.1249 30.6467 176.1691 53 V 4.4445 9.2898 123.9949 59.7212 35.2524 175.0307 54 A 5.2861 7.9206 122.7032 49.4507 19.0697 175.7926 55 G 3.9112 8.5180 110.2846 47.7917 0.0000 172.3135 56 Q 4.5047 8.4426 115.3356 56.2218 28.8132 175.5265 57 E 4.8357 9.2692 110.7776 53.8075 30.6808 173.3838 58 I 4.4661 8.9214 122.4965 59.4040 40.6168 174.4497 59 T 4.9218 8.3472 123.0366 61.9753 70.2872 173.7629 60 F 4.4272 9.4788 126.2415 56.1790 41.0701 175.7024 61 R 4.7703 8.5375 124.1480 54.7038 28.2367 175.0472 62 V 4.3300 7.9547 121.9599 59.0048 34.0830 177.6153 63 A 4.3032 8.7649 124.6900 54.6998 16.8834 179.1188 64 A 3.8793 7.3847 120.0853 52.3284 15.1382 176.7591 65 S 5.6097 7.4552 125.4686 59.5223 61.7176 176.2695 66 H 4.9553 7.6225 116.0350 55.2468 29.9632 175.1574 67 I 3.7315 8.2690 122.9233 64.1318 36.8556 175.8897 68 P 4.2790 0.0000 0.0000 66.1878 30.8221 177.6472 69 K 3.7586 7.8301 119.5335 58.9449 31.7474 178.2505 70 V 3.0402 7.4224 117.1390 66.3951 31.5423 177.3331 71 Y 4.0234 7.8240 115.3369 61.0933 37.8977 177.8897 72 E 3.9788 8.7303 120.5568 59.3543 29.3242 178.9810 73 L 4.0383 7.6995 118.2343 57.8057 41.9859 179.1366 74 V 3.7208 7.6066 118.1049 65.5800 31.8797 176.2652 75 E 4.5516 7.6409 117.0276 56.2263 28.8458 178.1392 76 R 4.3919 8.1245 117.0964 54.7839 32.9681 176.8270 77 A 4.4958 8.1957 129.8350 50.9369 17.5209 176.9530 78 K 4.0672 8.2259 116.8467 55.8424 32.6318 179.0088 79 G 3.6397 7.7679 101.9983 47.0244 0.0000 174.5529 80 L 4.3407 7.9944 128.8556 52.8543 44.9850 176.5955 81 K 4.0583 8.5687 124.1361 55.8841 32.2790 176.0642 82 L 4.0427 8.1324 120.5858 56.6283 42.1542 175.9002 83 E 4.6094 8.7705 122.0040 55.5682 34.4750 176.4136 84 G 4.3448 8.6626 111.2591 46.0963 0.0000 174.3191 85 L 3.8178 7.5803 119.4069 52.4939 41.2090 176.6458 86 S 4.4992 8.7348 112.9296 57.7258 62.8840 172.4619 87 P 4.6221 0.0000 0.0000 65.2664 31.9607 176.6885 88 K 4.0081 7.9300 117.2153 60.0143 32.2747 177.6044 89 E 3.8187 8.6074 116.2956 60.0216 28.9887 178.9000 90 I 3.5601 7.7034 118.2445 64.1058 37.5085 177.7029 91 K 4.2905 10.4728 119.6354 58.4477 32.3795 177.9236 92 K 4.4686 8.0459 116.4756 57.9581 35.2779 178.2784 93 E 4.3325 9.2721 115.9030 56.6083 30.3827 177.0742 94 L 4.0393 8.3063 126.1659 55.4655 40.1040 178.7295 95 L 4.1808 8.8054 115.5206 55.1381 45.5718 174.6842 *96 K 4.1215 8.6390 120.2382 55.0732 32.3453 174.3331 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 8 S 8.32 4.59 0.00 3.88 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 9 G 6.85 3.84 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 0.00 0.00 0.00 10 K 10.78 4.63 0.00 2.14 2.15 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.19 7.81 11 R 8.24 3.95 0.00 2.08 1.82 0.00 3.44 0.00 0.00 3.25 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 12 P 0.00 4.37 0.00 2.09 2.13 0.00 3.70 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 1.96 2.03 0.00 13 I 7.53 3.74 1.60 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 0.83 0.00 0.00 14 V 7.79 4.65 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 0.67 0.00 0.00 0.92 0.00 0.00 15 A 7.83 4.29 1.25 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 16 N 8.33 5.15 0.00 2.68 2.64 0.00 0.00 5.77 7.64 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 17 S 7.83 4.71 0.00 3.93 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 18 I 8.13 4.71 1.90 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 1.43 0.68 0.96 0.00 0.00 19 Q 8.94 4.75 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 20 R 8.59 4.57 0.00 1.70 1.87 0.00 3.37 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 21 R 8.88 4.03 0.00 1.86 1.97 0.00 3.48 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 22 G 8.10 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 23 K 8.18 4.40 0.00 1.67 1.78 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.54 7.81 24 A 8.25 4.75 1.22 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 0.00 0.00 0.00 25 K 9.29 4.70 0.00 1.80 1.59 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 R 8.15 5.02 0.00 2.21 2.09 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 27 E 8.24 3.90 0.00 2.24 1.82 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 2.30 2.36 0.00 28 G 6.79 4.43 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 29 G 9.35 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 30 V 7.37 4.34 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 0.82 0.00 0.00 0.93 0.00 0.00 31 G 7.66 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 0.00 0.00 0.00 0.00 32 K 8.51 4.91 0.00 1.99 1.74 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 33 K 8.47 4.37 0.00 1.83 1.93 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 T 7.91 4.44 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 35 T 8.34 4.52 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 36 G 8.64 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 37 I 8.96 3.95 2.03 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 1.11 1.13 0.92 0.00 0.00 38 S 7.56 4.60 0.00 3.89 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 39 K 8.86 4.53 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.44 7.81 40 R 8.31 4.68 0.00 1.81 1.71 0.00 3.35 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 41 R 8.69 4.46 0.00 1.75 1.89 0.00 3.39 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 42 Q 9.50 4.74 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 43 Y 8.72 5.05 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 44 P 0.00 4.74 0.00 2.08 2.57 0.00 3.89 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 45 N 8.47 4.63 0.00 2.63 2.77 0.00 0.00 7.19 7.85 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 46 L 8.34 4.11 0.00 1.69 1.63 0.91 0.56 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 47 Q 8.13 4.37 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 48 K 7.64 4.00 0.00 1.87 0.92 0.00 1.88 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.52 1.53 7.81 49 V 9.05 3.92 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 0.88 0.00 0.00 1.01 0.00 0.00 50 R 8.22 4.93 0.00 1.87 1.80 0.00 3.25 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 51 V 9.04 4.30 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 0.79 0.00 0.00 0.98 0.00 0.00 52 R 8.76 5.10 0.00 1.76 1.90 0.00 3.22 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 53 V 9.29 4.44 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 0.95 0.00 0.00 0.75 0.00 0.00 54 A 7.92 5.29 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 55 G 8.52 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 0.00 0.00 0.00 56 Q 8.44 4.50 0.00 2.07 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 57 E 9.27 4.84 0.00 1.93 1.82 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 2.19 2.22 0.00 58 I 8.92 4.47 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.56 0.00 0.00 59 T 8.35 4.92 4.18 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 1.20 0.00 0.00 60 F 9.48 4.43 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.54 4.77 0.00 1.81 1.85 0.00 3.22 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 62 V 7.95 4.33 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 0.78 0.00 0.00 0.95 0.00 0.00 63 A 8.76 4.30 1.24 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 64 A 7.38 3.88 1.46 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 0.00 0.00 0.00 65 S 7.46 5.61 0.00 3.97 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 0.00 66 H 7.62 4.96 0.00 3.19 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.27 3.73 1.96 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 1.75 0.54 1.07 0.00 0.00 68 P 0.00 4.28 0.00 2.25 2.34 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 69 K 7.83 3.76 0.00 1.87 1.90 0.00 1.51 0.00 0.00 1.50 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 70 V 7.42 3.04 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 0.20 0.00 0.00 0.68 0.00 0.00 71 Y 7.82 4.02 0.00 3.21 2.96 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 72 E 8.73 3.98 0.00 1.98 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 0.00 2.31 2.37 0.00 73 L 7.70 4.04 0.00 1.82 1.63 0.89 0.74 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 74 V 7.61 3.72 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 1.07 0.00 0.00 0.89 0.00 0.00 75 E 7.64 4.55 0.00 2.07 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 0.00 2.35 2.31 0.00 76 R 8.12 4.39 0.00 1.79 1.83 0.00 3.31 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 77 A 8.20 4.50 1.27 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 0.00 0.00 78 K 8.23 4.07 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.44 7.81 79 G 7.77 3.64 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 0.00 0.00 0.00 80 L 7.99 4.34 0.00 1.60 1.56 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.57 4.06 0.00 1.74 1.81 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 L 8.13 4.04 0.00 1.57 1.60 0.91 0.79 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 83 E 8.77 4.61 0.00 1.87 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 2.10 2.26 0.00 84 G 8.66 4.34 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 0.00 85 L 7.58 3.82 0.00 1.62 1.48 0.87 0.86 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 86 S 8.73 4.50 0.00 4.08 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 87 P 0.00 4.62 0.00 2.07 2.07 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 88 K 7.93 4.01 0.00 1.74 1.94 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 E 8.61 3.82 0.00 2.17 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 0.00 2.49 2.38 0.00 90 I 7.70 3.56 2.23 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 1.82 0.92 1.15 0.00 0.00 91 K 10.47 4.29 0.00 1.86 1.95 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.68 1.84 7.81 92 K 8.05 4.47 0.00 2.08 1.77 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 93 E 9.27 4.33 0.00 1.84 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 2.42 2.40 0.00 94 L 8.31 4.04 0.00 1.88 1.20 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.81 4.18 0.00 1.62 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.64 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.