NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7157 8.3549 109.6962 45.0835 0.0000 174.5004 2 F 4.2448 7.4241 118.2516 54.4235 39.5483 172.7929 3 P 4.4159 0.0000 0.0000 62.9972 32.6373 175.4561 4 I 4.5060 8.1572 121.2363 59.1282 37.9879 174.1286 5 P 4.3345 0.0000 0.0000 63.3075 31.6614 176.0213 6 D 4.6505 8.4697 121.6807 52.4335 42.5606 173.1057 7 P 4.5232 0.0000 0.0000 63.1075 31.6334 176.3567 8 Y 4.6109 8.8433 121.2599 57.3343 37.4049 174.3193 9 V 4.3526 7.4737 124.0183 60.0905 35.0469 174.5458 10 W 2.5400 8.0163 134.1088 56.7955 31.2613 174.8997 11 D 4.5534 6.7570 121.5231 50.5530 42.2766 174.3906 12 P 3.6690 0.0000 0.0000 65.3176 31.3955 178.4524 13 S 4.0754 7.7026 111.3051 59.8720 63.0088 174.8088 14 F 4.3666 7.3797 118.9909 57.0497 39.1569 176.0185 15 R 4.2214 7.2775 122.0602 57.1962 29.9666 176.1186 16 T 4.0719 9.2107 114.7071 61.4004 69.9372 175.6409 17 F 3.8577 7.7986 119.7783 58.0983 36.9730 174.3405 18 Y 4.6077 7.5562 119.6865 56.0544 39.4273 176.1772 19 S 4.1335 8.8332 122.1408 61.8201 62.9608 176.5900 20 I 3.6021 7.8000 120.1474 64.2276 37.7944 177.4669 21 I 3.7292 7.8733 119.9330 64.8258 37.1654 177.9635 22 D 4.5183 8.3188 119.4136 57.5508 40.3828 178.7510 23 D 4.0687 7.7477 118.5674 57.1629 40.5404 178.3347 24 E 4.0637 8.2935 119.4055 59.7121 29.5813 178.9859 25 H 4.3376 8.5478 116.6520 58.9760 28.6882 177.9212 26 K 3.9718 7.7186 120.1048 59.5625 31.7756 179.4321 27 T 3.9920 7.8320 110.1835 64.5112 68.7457 176.9224 28 L 4.0164 7.8137 121.4707 57.6276 41.7073 179.1983 29 F 4.0499 8.2387 117.2853 60.6679 38.7930 177.3021 30 N 4.5177 8.3267 116.5234 56.4687 38.6213 177.2005 31 G 3.6569 8.2488 107.3303 48.0263 0.0000 175.8936 32 I 3.8716 8.0618 122.6148 63.5325 37.1878 178.2033 33 F 4.1651 8.6085 121.9572 61.9881 39.2637 177.0612 34 H 4.4127 8.3755 115.3270 58.5180 28.2545 177.4434 35 L 4.1125 7.6955 121.1746 58.2934 41.9451 178.7249 36 A 4.1378 7.8338 119.5756 54.7696 18.2742 179.4275 37 I 4.1369 6.9101 116.7537 62.6441 37.7134 175.9850 38 D 4.5831 8.2765 121.0899 52.4595 42.9606 175.0764 39 D 4.7693 8.4697 129.9776 52.8724 39.8411 173.8367 40 N 5.4839 7.5821 120.1982 49.9107 41.1308 176.1295 41 A 3.9643 8.5238 118.6691 55.4286 18.2257 179.4134 42 D 4.2609 7.9830 116.8391 57.7427 41.1520 178.7081 43 N 4.3212 8.0422 116.4537 56.1229 38.5479 177.1688 44 L 3.8246 8.0364 122.0722 57.6490 42.0769 179.2186 45 G 3.5083 8.2851 106.2798 47.6936 0.0000 175.1079 46 E 3.8848 8.2272 122.3819 58.9291 29.6128 178.7578 47 L 3.8996 7.7043 119.8491 58.0457 42.1060 178.8122 48 R 3.7315 8.2026 119.1499 59.2650 29.8860 178.3661 49 R 3.8048 8.3168 118.8231 59.8116 30.0939 178.2521 50 C 4.0622 8.0234 116.3943 63.1665 28.0390 176.4941 51 T 3.6251 8.3494 117.9206 66.2053 67.9995 177.1685 52 G 3.5299 8.0704 107.7577 47.5483 0.0000 175.6868 53 K 3.9342 8.1861 122.6209 59.3574 32.3017 178.2079 54 H 4.4348 8.2620 119.9652 58.9285 29.8293 177.0603 55 F 4.4029 8.2296 119.5716 60.5025 38.6224 177.5023 56 L 4.0446 8.1670 119.7916 58.3816 42.0267 178.6757 57 N 4.3127 8.6203 116.8476 56.4132 38.4000 177.0594 58 E 3.8748 8.8015 120.9488 59.3427 29.6516 178.8490 59 Q 4.2554 8.3685 118.1993 58.9628 28.7619 178.9962 60 V 3.5454 8.1142 119.5199 65.9159 31.1700 177.8698 61 L 3.8471 7.9455 120.0693 58.3169 41.8325 178.8631 62 M 4.0705 8.2000 118.8978 58.5535 31.8682 178.8259 63 Q 3.8408 8.3706 118.1921 58.6101 28.5332 178.4243 64 A 3.9219 7.7654 122.4062 54.7061 18.5531 178.3175 65 S 4.6210 7.6462 110.1203 57.5755 63.6820 174.2967 66 Q 3.1556 8.0739 118.0453 56.2905 26.6224 174.1021 67 Y 4.3122 8.2664 117.6591 58.1720 39.4398 176.5949 68 Q 3.6219 8.5676 128.2878 58.4611 29.1817 176.9089 69 F 4.9140 5.4600 115.6705 57.1230 40.0792 177.3414 70 Y 4.2711 7.7516 123.1541 61.0063 38.6543 176.6820 71 D 4.3042 8.2569 119.5174 57.4424 40.8945 178.5313 72 E 3.9981 8.2122 117.5352 59.6464 29.6569 178.5272 73 H 4.0972 8.1083 118.8415 58.9179 30.0037 177.1193 74 K 3.7798 8.2685 124.3257 60.0038 32.0239 179.4311 75 K 4.3071 7.8804 125.2469 59.3340 31.4674 181.0464 76 E 4.4366 8.0437 119.7131 59.6542 29.3276 179.1853 77 H 3.7935 8.0025 115.9884 58.8810 28.2436 177.6962 78 E 4.1348 8.5807 122.8456 60.3395 29.3634 180.2732 *79 T 3.9555 8.0084 114.3593 65.9687 68.5581 178.9060 80 F 4.2359 8.0082 123.5106 60.9356 39.2671 177.3758 81 I 3.5980 8.1684 119.6772 64.6405 36.7199 177.6881 82 H 4.0551 8.3765 117.8854 59.2602 29.9824 176.7579 83 A 4.0280 7.8475 121.9954 55.2590 18.0382 179.6407 84 L 3.8014 7.4223 116.0990 57.8143 41.7009 178.9703 85 D 4.5656 7.9977 116.8257 55.2727 41.8387 176.0053 86 N 5.0353 7.5986 115.9019 51.7157 39.3362 175.0347 87 W 4.3970 8.3817 130.0819 58.4839 31.5709 175.8137 88 K 4.1358 7.5493 124.9723 53.8813 32.4675 173.8958 89 G 3.9180 5.5822 105.9349 46.5231 0.0000 175.3172 90 D 4.5646 6.3474 122.8886 53.4980 38.4120 177.2290 91 V 4.0695 7.7995 124.4529 65.4525 32.2900 178.1545 92 K 4.1323 8.0908 119.2781 59.2846 32.0323 178.6189 93 W 4.1702 8.6324 128.3806 60.3646 30.6901 177.8448 94 A 4.0643 8.5171 120.5394 55.1359 17.8335 179.5787 95 K 3.5325 8.1697 118.5440 59.0588 32.1281 179.5390 96 S 4.1549 7.9209 112.7568 60.7848 62.1763 175.9476 97 W 3.5409 7.9542 131.5436 60.0434 30.3683 177.7515 98 L 3.6897 7.8919 120.2065 58.0000 41.5618 178.8271 99 V 3.7340 7.4150 117.8622 66.4939 31.5069 177.8446 100 N 4.4399 8.1074 115.8565 56.1854 38.2536 177.0838 101 H 3.5494 7.7106 120.1187 58.8951 29.8004 177.4420 102 I 3.7000 7.3833 121.4526 64.4641 36.8564 178.6886 103 K 2.4800 7.2545 117.2527 57.7432 31.6185 178.4894 104 T 4.4012 7.3173 108.3663 61.8907 70.5851 175.5601 105 I 4.0132 6.9291 120.9565 63.2040 38.1924 177.5938 106 D 3.9298 7.9343 119.9888 57.2528 40.6520 178.8397 107 F 4.2932 8.1983 117.9480 60.2430 38.5679 177.7641 108 K 4.2233 7.5745 117.4420 58.7944 32.0558 177.7640 109 Y 4.4808 7.5452 116.4902 55.8082 38.2141 175.3961 110 K 4.2866 7.4096 121.0566 58.6184 32.4749 177.1696 111 G 4.0426 9.1479 111.3751 45.9225 0.0000 173.8972 112 K 4.6694 8.5648 117.3585 55.8167 33.7271 176.3269 113 I 4.4103 7.5474 116.8476 59.8447 37.5978 174.9153 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 1 G 8.35 3.72 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 0.00 0.00 0.00 2 F 7.42 4.24 0.00 3.14 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 3 P 0.00 4.42 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 4 I 8.16 4.51 2.00 0.00 0.00 1.00 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 0.95 1.15 0.00 0.00 5 P 0.00 4.33 0.00 2.06 2.00 0.00 4.06 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 6 D 8.47 4.65 0.00 2.68 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 7 P 0.00 4.52 0.00 2.45 2.31 0.00 3.88 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 2.06 2.05 0.00 8 Y 8.84 4.61 0.00 3.13 3.26 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 9 V 7.47 4.35 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 0.75 0.00 0.00 0.82 0.00 0.00 10 W 8.02 2.54 0.00 2.59 2.63 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 11 D 6.76 4.55 0.00 2.66 2.48 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 12 P 0.00 3.67 0.00 2.04 2.10 0.00 3.38 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 13 S 7.70 4.08 0.00 3.66 3.72 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 14 F 7.38 4.37 0.00 2.26 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 15 R 7.28 4.22 0.00 1.77 1.55 0.00 2.85 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.44 0.00 16 T 9.21 4.07 4.75 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 1.68 0.00 0.00 17 F 7.80 3.86 0.00 2.92 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 18 Y 7.56 4.61 0.00 3.07 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 19 S 8.83 4.13 0.00 3.89 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 20 I 7.80 3.60 1.89 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 1.65 1.60 0.95 0.00 0.00 21 I 7.87 3.73 2.22 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.63 1.05 0.00 0.00 22 D 8.32 4.52 0.00 2.63 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 23 D 7.75 4.07 0.00 2.72 2.60 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 24 E 8.29 4.06 0.00 2.13 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 2.33 2.51 0.00 25 H 8.55 4.34 0.00 3.41 3.70 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.72 3.97 0.00 1.75 1.64 0.00 1.15 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.48 0.46 7.81 27 T 7.83 3.99 4.23 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 1.22 0.00 0.00 28 L 7.81 4.02 0.00 1.83 1.72 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.24 4.05 0.00 3.23 2.92 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 30 N 8.33 4.52 0.00 2.82 3.00 0.00 0.00 7.15 9.28 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 31 G 8.25 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.06 3.87 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.71 0.00 0.00 33 F 8.61 4.17 0.00 3.62 3.28 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 34 H 8.38 4.41 0.00 3.37 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.70 4.11 0.00 1.89 1.75 0.41 1.46 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 36 A 7.83 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.91 4.14 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.91 0.00 0.00 38 D 8.28 4.58 0.00 2.54 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 39 D 8.47 4.77 0.00 2.97 2.65 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 40 N 7.58 5.48 0.00 2.91 3.05 0.00 0.00 5.99 7.32 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 41 A 8.52 3.96 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 42 D 7.98 4.26 0.00 2.76 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 43 N 8.04 4.32 0.00 2.72 2.87 0.00 0.00 6.72 6.74 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 44 L 8.04 3.82 0.00 1.56 1.68 0.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.29 3.51 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 0.00 46 E 8.23 3.88 0.00 2.17 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 2.30 2.36 0.00 47 L 7.70 3.90 0.00 1.77 1.62 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.20 3.73 0.00 1.85 2.00 0.00 3.08 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 49 R 8.32 3.80 0.00 1.83 2.02 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 50 C 8.02 4.06 0.00 2.99 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 51 T 8.35 3.63 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 0.59 0.00 0.00 52 G 8.07 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.19 3.93 0.00 1.82 1.91 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.52 7.81 54 H 8.26 4.43 0.00 3.32 3.32 0.00 5.89 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 55 F 8.23 4.40 0.00 3.09 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 56 L 8.17 4.04 0.00 1.92 1.86 1.00 0.57 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 57 N 8.62 4.31 0.00 3.05 2.87 0.00 0.00 6.75 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 58 E 8.80 3.87 0.00 2.07 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 2.19 2.34 0.00 59 Q 8.37 4.26 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 60 V 8.11 3.55 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 0.97 0.00 0.00 0.99 0.00 0.00 61 L 7.95 3.85 0.00 1.66 1.56 0.78 0.39 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 62 M 8.20 4.07 0.00 2.44 2.45 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.15 0.00 63 Q 8.37 3.84 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.46 2.10 0.00 64 A 7.77 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.62 0.00 4.08 3.85 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 66 Q 8.07 3.16 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 67 Y 8.27 4.31 0.00 3.01 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 68 Q 8.57 3.62 0.00 1.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.31 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 69 F 5.46 4.91 0.00 2.85 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 70 Y 7.75 4.27 0.00 3.20 3.01 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 71 D 8.26 4.30 0.00 2.78 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 72 E 8.21 4.00 0.00 2.25 2.25 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 2.47 2.79 0.00 73 H 8.11 4.10 0.00 3.57 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.27 3.78 0.00 1.16 1.65 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 75 K 7.88 4.31 0.00 1.83 1.81 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.22 7.81 76 E 8.04 4.44 0.00 2.22 2.32 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 2.59 2.51 0.00 77 H 8.00 3.79 0.00 3.28 3.04 0.00 5.64 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 78 E 8.58 4.13 0.00 2.24 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 2.39 2.57 0.00 *79 T 8.01 3.96 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 80 F 8.01 4.24 0.00 1.51 3.03 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 81 I 8.17 3.60 2.11 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 2.00 0.98 0.93 0.00 0.00 82 H 8.38 4.06 0.00 3.22 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.85 4.03 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 84 L 7.42 3.80 0.00 1.45 1.48 0.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.00 4.57 0.00 2.58 2.67 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 86 N 7.60 5.04 0.00 2.60 2.62 0.00 0.00 6.90 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 87 W 8.38 4.40 0.00 3.37 2.97 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 88 K 7.55 4.14 0.00 1.77 1.61 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.96 7.81 89 G 5.58 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 0.00 0.00 0.00 90 D 6.35 4.56 0.00 2.45 2.39 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 0.00 91 V 7.80 4.07 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 0.76 0.00 0.00 0.93 0.00 0.00 92 K 8.09 4.13 0.00 1.85 2.07 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.53 7.81 93 W 8.63 4.17 0.00 3.69 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 94 A 8.52 4.06 1.84 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 95 K 8.17 3.53 0.00 1.82 1.60 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.48 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.10 7.81 96 S 7.92 4.15 0.00 3.94 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 97 W 7.95 3.54 0.00 2.32 2.68 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 98 L 7.89 3.69 0.00 1.64 1.46 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.42 3.73 2.21 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 1.28 0.00 0.00 1.27 0.00 0.00 100 N 8.11 4.44 0.00 2.66 2.72 0.00 0.00 6.73 7.45 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 0.00 101 H 7.71 3.55 0.00 1.40 2.63 0.00 5.78 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 I 7.38 3.70 1.90 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 1.56 0.74 1.01 0.00 0.00 103 K 7.25 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.50 7.81 104 T 7.32 4.40 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 1.43 0.00 0.00 105 I 6.93 4.01 1.45 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.54 0.00 0.00 106 D 7.93 3.93 0.00 2.72 2.67 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 0.00 107 F 8.20 4.29 0.00 2.95 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 0.00 108 K 7.57 4.22 0.00 2.01 2.10 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.56 7.81 109 Y 7.55 4.48 0.00 2.53 2.20 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 0.00 110 K 7.41 4.29 0.00 1.91 1.89 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.43 7.81 111 G 9.15 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 0.00 112 K 8.56 4.67 0.00 2.04 2.05 0.00 2.19 0.00 0.00 2.08 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.68 7.81 113 I 7.55 4.41 1.70 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.11 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.