NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 H 4.9101 8.4449 117.8083 55.7893 30.8788 172.2545 17 M 4.3274 8.8930 118.8356 56.4684 33.2404 174.6631 18 F 5.4128 9.7802 123.8931 56.7573 44.0831 172.6893 19 M 5.1767 8.2493 123.8480 53.6207 35.3170 173.8646 20 A 4.8944 8.8302 127.1792 50.0495 22.5411 174.7745 21 E 5.2009 9.3008 120.7893 54.5876 33.5841 173.9502 22 N 5.4558 9.2039 124.1104 51.6888 41.2342 173.4919 23 R 4.7967 9.5857 125.8347 54.7215 32.2777 174.5726 24 L 5.2562 9.0222 127.4037 53.1937 44.4104 175.5445 25 Q 4.9813 8.8124 123.2304 54.8265 30.6975 174.9374 26 L 5.2866 9.1542 122.6312 52.4526 46.8639 175.6736 27 Q 4.2778 8.5549 122.4578 56.0918 30.0536 176.0594 28 K 3.9811 8.7089 127.0474 58.4447 32.5249 176.6927 29 G 4.0081 9.2490 115.0671 45.5581 0.0000 174.5265 30 S 4.5813 8.0080 113.8403 58.2098 63.3210 175.5584 31 A 3.9762 8.1204 125.4418 55.7744 18.0524 179.4128 32 E 3.9296 8.2209 116.1142 59.8235 29.4069 179.2823 33 E 4.1060 8.1200 117.0585 59.5807 29.9876 178.5319 34 T 4.0939 8.0388 115.8959 66.7029 68.4721 176.7732 35 I 3.9235 8.0102 121.7597 64.5037 36.9475 178.2847 36 E 2.5400 7.8206 119.1162 58.7608 29.0008 178.9560 37 R 4.0089 7.5703 115.8591 57.2515 30.3040 177.0159 38 F 4.7926 7.7615 117.4789 57.3366 39.5964 177.0641 39 Y 4.3272 7.6384 120.7893 60.4770 37.7755 175.5318 40 N 4.6914 7.4525 115.9827 52.3788 38.4242 175.0336 41 R 4.1448 8.6410 125.9119 56.8656 30.6340 176.9195 42 Q 3.4582 9.0173 115.3517 57.3015 27.8732 174.5550 43 G 3.9477 8.3357 102.6974 47.2610 0.0000 175.7104 44 I 3.2342 7.4868 122.9469 63.5016 37.7873 177.6465 45 E 3.7420 7.4573 115.9663 57.8751 29.5104 177.3014 46 T 4.1845 7.5313 109.2087 62.5412 69.6940 174.6390 47 I 4.2277 7.7088 125.3909 59.9742 37.9445 174.8427 48 E 4.2124 8.8898 126.7593 57.9495 29.8364 176.5515 49 G 4.3363 9.1492 113.7516 46.3570 0.0000 173.1238 50 F 3.7625 8.0839 122.2000 58.2203 39.9697 173.5336 51 Q 4.0397 6.9326 124.8124 56.9589 30.8949 175.6529 52 Q 4.1645 6.1854 115.0177 54.5200 33.6823 173.0388 53 M 5.2708 8.0556 119.5740 54.0057 35.6970 174.3171 54 F 4.8934 9.5701 123.6900 55.6546 43.3325 173.8161 55 V 4.9638 8.7493 123.0327 61.3928 33.4993 174.5143 56 T 4.8135 8.9952 118.0278 59.6680 72.3913 172.6719 57 K 5.0471 8.3743 123.0493 54.7995 34.5004 175.5553 58 T 4.1697 8.6397 125.1304 63.4466 68.8573 174.8403 59 L 4.3309 8.5606 126.0645 54.7765 42.9050 175.5160 60 N 4.2103 8.4954 114.7089 54.6095 36.0244 174.7864 61 T 4.4182 7.8478 106.0944 60.8335 70.1117 173.1221 62 E 4.3250 8.0747 121.0475 57.7843 30.7395 177.0439 63 D 4.6086 7.8038 120.4070 54.9329 40.5674 175.9109 64 T 4.7657 7.4655 108.2658 60.6521 72.2912 172.5749 65 D 5.0356 9.2117 121.9101 52.9060 43.9837 175.4456 66 E 5.1183 8.4858 120.4460 54.6608 33.1946 174.0779 67 V 5.5005 8.7219 126.1626 60.1033 34.9197 174.1440 68 K 5.0681 8.2450 124.4195 54.6457 35.8339 175.1960 69 I 4.6697 8.7840 125.5846 59.8222 39.3001 174.3075 70 L 5.3993 9.1861 128.8466 53.1037 43.9134 175.9024 71 T 5.0689 8.9790 114.0937 59.9451 71.7776 172.8347 72 I 4.7936 8.4513 126.3564 59.5155 39.3957 174.8230 73 W 5.4426 9.4987 125.6803 54.6945 33.1785 175.9940 74 E 4.1933 9.4904 123.7642 59.4489 29.4002 176.7613 75 S 4.8636 7.9848 111.5281 56.0126 65.6671 175.1430 76 E 2.5400 8.3982 121.2265 58.8382 29.0357 178.1648 77 D 4.1742 7.8851 117.7475 57.3008 40.7598 178.2991 78 S 4.1460 7.8215 115.7829 61.4823 62.9455 176.3767 79 F 2.3000 7.2850 122.5835 60.8443 38.8969 176.9175 80 N 3.8559 8.0314 116.1779 56.2249 38.0265 177.1740 81 N 4.2680 7.9810 117.4395 55.7164 38.8463 177.0020 82 W 4.4515 7.7212 129.6440 60.6270 30.6585 178.1201 83 L 2.4400 6.8257 116.7001 56.1886 40.8206 178.0424 84 N 4.7405 7.1355 114.9657 52.4810 39.5419 175.0488 85 S 4.5944 7.2027 114.7049 57.6546 65.8524 174.8018 86 D 4.3742 8.5849 123.3030 57.5498 40.4645 179.3633 87 V 4.0042 7.7943 119.6321 64.1821 31.5575 177.8862 88 F 4.2465 8.2321 120.7224 61.0012 39.1560 177.2545 89 K 4.1507 8.2879 115.9409 57.7094 31.9540 177.2386 90 E 4.4313 8.0536 115.8358 55.6488 30.5337 175.9012 91 A 4.3902 7.1243 122.6726 51.0453 21.0724 176.8753 *95 V 3.7970 7.8907 108.6443 61.3876 32.6452 175.3046 96 R 4.4473 8.2426 122.3257 55.3464 31.2501 175.7096 97 L 4.7294 8.6672 124.3648 52.7713 43.6423 178.0795 98 K 3.9643 8.5728 120.7010 59.1554 32.1107 178.1564 99 S 4.5152 7.8978 111.0115 58.3529 63.5720 173.8932 100 D 4.8210 7.8469 121.6646 54.1463 41.5966 175.7491 101 D 4.7020 8.7681 122.0011 52.7972 42.1772 175.8429 102 D 4.4251 8.4615 121.5849 56.2942 41.3062 176.7853 103 G 3.9629 8.9531 115.4709 44.9415 0.0000 173.1948 104 Q 4.0064 7.9033 121.2566 56.4868 29.5100 175.4943 105 Q 4.6402 8.2367 123.0956 53.7353 31.0169 175.4294 106 S 4.1821 8.4576 116.6597 57.8878 63.6609 173.4235 107 P 4.7044 0.0000 0.0000 62.3921 29.1292 175.4934 108 I 4.4817 7.4206 121.2215 61.7748 37.8245 177.5387 109 L 4.5073 9.1022 128.0096 56.9223 42.7595 177.2535 110 S 4.6180 7.5985 110.1805 57.4359 66.0564 174.2543 111 N 5.2863 8.8544 119.9012 52.1590 40.6889 173.0718 112 K 4.6559 9.2290 126.0157 54.4537 35.3255 175.4965 113 V 4.8779 7.9255 122.4711 61.3043 33.5783 174.7769 114 F 4.7976 9.0993 124.7962 55.6508 43.3899 173.8592 115 K 4.8866 8.2645 119.3668 54.9762 35.8799 175.2175 116 Y 4.8635 8.5017 119.6122 56.5381 42.8006 173.7353 117 D 5.1451 8.8339 121.7683 53.2825 42.5798 176.1760 118 I 4.1729 8.6445 125.4740 60.1653 36.9715 176.2627 119 G 3.8412 8.8938 117.1961 47.5281 0.0000 172.3116 120 Y 4.8129 7.5832 119.0210 56.4954 41.8184 173.2095 121 H 4.7015 7.5272 124.7890 54.6928 33.0896 171.8150 122 Y 4.3287 7.9159 126.0340 55.6461 41.6501 173.7574 123 Q 4.1958 7.3408 126.8453 53.5692 31.6112 174.6866 124 K 3.9444 8.5040 125.1167 56.6860 32.2180 176.1723 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 16 H 8.44 4.91 0.00 3.14 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.89 4.33 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 18 F 9.78 5.41 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 5.18 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 20 A 8.83 4.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.30 5.20 0.00 2.23 2.22 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 2.39 2.38 0.00 22 N 9.20 5.46 0.00 2.80 2.80 0.00 0.00 6.21 6.95 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 23 R 9.59 4.80 0.00 2.23 2.07 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 24 L 9.02 5.26 0.00 1.62 1.61 1.03 0.80 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 25 Q 8.81 4.98 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 26 L 9.15 5.29 0.00 1.51 1.52 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.55 4.28 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 28 K 8.71 3.98 0.00 1.93 1.73 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 29 G 9.25 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 0.00 0.00 0.00 30 S 8.01 4.58 0.00 4.10 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 31 A 8.12 3.98 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 32 E 8.22 3.93 0.00 2.09 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 0.00 2.44 2.48 0.00 33 E 8.12 4.11 0.00 1.96 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 2.28 2.39 0.00 34 T 8.04 4.09 4.47 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 1.46 0.00 0.00 35 I 8.01 3.92 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 1.01 0.00 0.00 36 E 7.82 2.54 0.00 2.01 1.74 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 2.26 2.44 0.00 37 R 7.57 4.01 0.00 1.49 1.55 0.00 3.03 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 38 F 7.76 4.79 0.00 3.24 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 39 Y 7.64 4.33 0.00 2.94 2.91 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 40 N 7.45 4.69 0.00 2.79 2.77 0.00 0.00 7.23 7.53 0.00 0.00 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 R 8.64 4.14 0.00 1.94 1.84 0.00 3.15 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 42 Q 9.02 3.46 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.23 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 43 G 8.34 3.95 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 0.00 0.00 0.00 44 I 7.49 3.23 1.53 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.36 -0.08 0.00 0.00 45 E 7.46 3.74 0.00 2.06 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 2.20 2.18 0.00 46 T 7.53 4.18 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 1.27 0.00 0.00 47 I 7.71 4.23 2.29 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 1.24 0.00 0.00 48 E 8.89 4.21 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 2.35 2.46 0.00 49 G 9.15 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 50 F 8.08 3.76 0.00 2.60 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 51 Q 6.93 4.04 0.00 1.59 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.45 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 52 Q 6.19 4.16 0.00 1.66 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 53 M 8.06 5.27 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 54 F 9.57 4.89 0.00 2.85 2.83 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 55 V 8.75 4.96 2.18 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 0.78 0.00 0.00 1.01 0.00 0.00 56 T 9.00 4.81 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 1.22 0.00 0.00 57 K 8.37 5.05 0.00 1.77 1.72 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.44 7.81 58 T 8.64 4.17 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 1.20 0.00 0.00 59 L 8.56 4.33 0.00 1.63 1.59 0.92 1.09 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 60 N 8.50 4.21 0.00 2.85 2.89 0.00 0.00 6.92 7.54 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 61 T 7.85 4.42 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 1.26 0.00 0.00 62 E 8.07 4.33 0.00 1.95 1.95 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 2.25 2.34 0.00 63 D 7.80 4.61 0.00 2.77 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 T 7.47 4.77 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 1.22 0.00 0.00 65 D 9.21 5.04 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 5.12 0.00 1.99 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 2.27 2.42 0.00 67 V 8.72 5.50 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 0.89 0.00 0.00 0.96 0.00 0.00 68 K 8.24 5.07 0.00 1.67 1.65 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.37 7.81 69 I 8.78 4.67 1.87 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.36 1.02 0.00 0.00 70 L 9.19 5.40 0.00 1.66 1.58 0.74 0.42 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 71 T 8.98 5.07 4.35 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 1.41 0.00 0.00 72 I 8.45 4.79 1.63 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 1.25 0.98 0.81 0.00 0.00 73 W 9.50 5.44 0.00 3.55 3.34 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 74 E 9.49 4.19 0.00 2.05 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 2.40 2.33 0.00 75 S 7.98 4.86 0.00 4.00 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 76 E 8.40 2.54 0.00 1.22 1.59 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 0.00 1.95 1.47 0.00 77 D 7.89 4.17 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.15 0.00 4.30 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 79 F 7.29 2.30 0.00 1.86 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 80 N 8.03 3.86 0.00 2.73 2.66 0.00 0.00 7.09 7.71 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 81 N 7.98 4.27 0.00 2.85 2.90 0.00 0.00 6.99 7.77 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 82 W 7.72 4.45 0.00 3.40 3.09 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 0.00 0.00 0.00 0.00 83 L 6.83 2.44 0.00 1.20 1.03 0.27 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.14 4.74 0.00 2.48 2.66 0.00 0.00 7.20 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 85 S 7.20 4.59 0.00 4.22 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 86 D 8.58 4.37 0.00 2.75 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 87 V 7.79 4.00 2.18 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 1.32 0.00 0.00 1.07 0.00 0.00 88 F 8.23 4.25 0.00 2.94 3.08 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 89 K 8.29 4.15 0.00 1.78 1.84 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.73 7.81 90 E 8.05 4.43 0.00 2.12 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 2.34 2.20 0.00 91 A 7.12 4.39 1.29 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 *95 V 7.89 3.80 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 0.59 0.00 0.00 0.78 0.00 0.00 96 R 8.24 4.45 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 97 L 8.67 4.73 0.00 1.84 1.53 0.92 1.18 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 98 K 8.57 3.96 0.00 1.75 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 99 S 7.90 4.52 0.00 3.97 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 0.00 100 D 7.85 4.82 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.70 0.00 2.70 2.56 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 0.00 0.00 0.00 0.00 102 D 8.46 4.43 0.00 2.60 2.59 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 0.00 0.00 0.00 0.00 103 G 8.95 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 0.00 104 Q 7.90 4.01 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 105 Q 8.24 4.64 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 106 S 8.46 4.18 0.00 3.82 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 0.00 107 P 0.00 4.70 0.00 2.17 2.22 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 108 I 7.42 4.48 1.91 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 1.42 0.74 1.00 0.00 0.00 109 L 9.10 4.51 0.00 1.51 1.74 0.94 0.89 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 0.00 110 S 7.60 4.62 0.00 3.88 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 0.00 111 N 8.85 5.29 0.00 2.76 2.79 0.00 0.00 6.91 6.68 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 0.00 112 K 9.23 4.66 0.00 1.91 1.49 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 113 V 7.93 4.88 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 0.90 0.00 0.00 0.98 0.00 0.00 114 F 9.10 4.80 0.00 3.12 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 0.00 115 K 8.26 4.89 0.00 1.59 1.82 0.00 1.80 0.00 0.00 1.98 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.43 7.81 116 Y 8.50 4.86 0.00 2.62 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 0.00 117 D 8.83 5.15 0.00 2.66 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 0.00 118 I 8.64 4.17 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 1.12 0.51 0.92 0.00 0.00 119 G 8.89 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 0.00 120 Y 7.58 4.81 0.00 2.86 2.81 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 0.00 121 H 7.53 4.70 0.00 2.93 2.95 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.92 4.33 0.00 2.64 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 0.00 123 Q 7.34 4.20 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 124 K 8.50 3.94 0.00 1.80 1.66 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.