NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3044 8.2601 123.5948 51.9115 20.6621 177.4232 3 A 4.4768 7.8462 114.1792 50.6678 20.9776 170.4221 4 V 5.0614 8.0897 116.4204 61.2251 32.7709 171.1420 5 T 4.1771 8.1016 119.2186 64.4073 69.9392 173.2864 6 Q 5.0247 8.7868 125.1715 54.6814 30.3138 175.1104 7 S 4.9196 8.6394 119.1989 55.7267 65.0646 171.5630 8 P 4.5678 0.0000 0.0000 63.5198 31.4728 175.5174 9 R 4.2900 8.6550 118.3782 57.5537 31.7894 174.9634 10 N 5.1046 8.9402 116.1711 52.5313 41.6812 171.5754 11 K 4.7369 7.8244 127.1645 56.3999 34.2618 173.9062 12 V 4.8469 7.9062 126.8878 61.6750 33.4197 174.3180 13 A 4.8144 8.7104 127.1490 50.4472 23.5198 174.1467 14 V 4.3322 7.6090 114.4653 61.2859 34.3703 173.6219 15 T 4.2342 8.7976 125.8671 66.9588 68.3616 173.1016 16 G 3.9035 8.4213 112.9454 44.1296 0.0000 171.9836 17 E 4.2670 8.8211 120.0171 55.8366 31.7043 175.2676 18 K 4.7950 8.3157 120.7748 54.1358 33.4646 175.2898 19 V 4.2526 8.1987 127.4172 61.7688 33.8564 174.6756 20 T 4.7351 8.1837 122.6424 61.8131 71.3671 173.0918 21 L 4.3832 8.1117 127.4459 53.7454 43.5235 176.2344 22 S 5.0563 8.8130 119.7767 57.1037 65.6626 172.5330 23 C 5.0639 9.0039 123.3054 55.1989 41.8702 172.3967 24 Q 5.4718 9.0667 126.2407 54.2739 30.9739 175.0296 25 Q 4.8016 8.7292 120.2645 54.8500 31.3763 175.2935 26 T 4.1213 8.3590 110.3405 63.5745 69.5113 175.4133 27 N 4.5075 7.9020 117.1028 51.9895 38.7504 173.9632 28 N 4.0983 7.8566 115.0966 54.7095 37.3890 173.7851 29 H 4.6741 8.0909 113.1423 55.0201 29.8396 177.0803 30 N 4.2057 8.8251 120.5700 55.4742 39.1081 174.9722 31 N 5.4328 7.3355 114.2799 51.2365 41.9531 173.9593 32 M 5.0278 7.1883 118.4795 55.0115 36.8784 173.1492 33 Y 4.9856 8.6228 117.1332 56.6342 43.5346 174.1942 34 W 5.2334 9.1653 121.1467 55.5231 32.2303 173.9918 35 Y 5.5262 9.9025 123.6115 55.3323 40.4641 175.3136 36 R 4.6845 8.5698 120.1001 54.3205 31.1850 175.1423 37 Q 4.4041 9.1776 127.2480 56.4713 30.0647 175.1350 38 D 5.1859 8.6507 127.1662 52.6736 44.0516 174.5825 39 T 4.4267 8.4624 109.8196 61.3483 70.0624 174.5174 40 G 3.9554 8.7889 115.1052 47.0796 0.0000 173.5731 41 H 4.6576 8.1961 114.4537 53.7575 31.2091 174.2219 42 G 3.3613 8.2742 104.7812 45.7882 0.0000 171.5550 43 L 3.9608 8.1962 119.0877 55.3586 41.1758 177.1163 44 R 4.6656 8.3583 123.2431 54.7273 32.2517 175.8968 45 L 4.2114 8.6513 125.1374 55.2887 43.3387 175.9297 46 I 4.2345 9.6187 127.6538 62.6724 38.2073 174.8167 47 H 5.5117 8.0396 117.6281 54.4981 33.6727 171.8412 48 Y 5.2230 7.7808 119.2634 56.9723 41.6605 173.7819 49 S 4.1541 7.3599 108.6657 58.1818 66.3084 176.7407 50 Y 4.5633 9.3517 123.5170 56.3644 38.1402 175.5815 51 G 4.0001 7.2604 109.2707 44.0804 0.0000 171.8848 52 A 4.1748 8.0143 122.0514 54.2588 18.3010 178.1476 53 G 4.0027 9.2681 111.8710 44.6626 0.0000 173.2578 54 S 4.9356 7.4152 113.3409 56.7485 65.0889 173.4667 55 T 4.6758 8.0719 114.4736 60.7506 71.3199 172.5073 56 E 4.6313 8.4143 123.9965 53.7751 33.8475 175.4724 57 K 4.1735 8.7689 121.1521 56.5013 32.6368 177.7389 58 G 4.3120 8.8501 110.4004 47.1458 0.0000 174.9763 59 D 4.9021 9.7586 122.7354 54.2489 41.8001 177.0484 60 I 4.7458 7.3774 112.1354 59.4962 36.6577 174.9104 61 P 4.5916 0.0000 0.0000 63.9459 32.5250 177.3654 62 D 4.4758 7.6089 121.1395 55.7367 41.5555 175.1628 63 G 3.8269 8.9975 114.9674 46.1245 0.0000 173.2926 *65 Y 4.6438 7.5349 115.9359 57.4601 38.8635 175.3610 66 K 4.4909 8.5542 122.9991 55.8851 35.0238 174.5227 67 A 4.5555 7.4620 121.2951 51.9731 22.6169 175.3418 68 S 4.3976 8.3206 107.5787 58.1586 66.7907 176.3652 69 R 5.5678 8.4746 129.2463 53.8320 28.3813 174.3844 70 P 4.1969 0.0000 0.0000 64.3439 32.1951 177.6376 71 S 4.6431 7.6021 111.8644 55.8225 65.0771 173.4001 72 Q 4.0023 8.5148 120.7076 59.8061 28.8155 177.5003 73 E 4.1720 8.1398 116.3610 58.4398 30.6500 175.8381 74 Q 5.0561 8.2132 121.0855 54.2487 32.7391 173.4015 75 F 5.3340 9.4941 128.3091 56.8453 42.7709 173.3165 76 S 5.2157 9.0266 122.4434 56.7516 65.7573 173.0241 77 L 4.5567 7.5493 124.8896 53.3116 44.7246 175.2271 78 I 4.8660 7.7826 123.3092 59.7748 41.2537 174.3521 79 L 4.4303 8.7597 128.3164 53.3491 41.4627 176.8393 80 E 3.8061 8.0734 124.0511 59.3849 29.7587 178.5793 81 S 4.9003 7.9754 112.9110 57.8635 63.6350 171.8629 82 A 3.9791 8.3490 123.1925 50.2306 19.9018 177.0983 83 T 4.6931 8.5129 115.7644 59.9159 70.9427 172.6988 84 P 4.3592 0.0000 0.0000 66.0346 31.4594 178.7471 85 S 4.4705 8.0849 106.9554 59.1969 62.2336 174.1940 86 Q 4.7364 8.0685 117.2798 56.3673 29.2851 175.5405 87 T 4.5783 7.4597 115.6929 62.3407 69.3129 174.8745 88 S 4.5052 7.8519 117.0308 58.5833 68.2768 175.0447 89 V 4.8149 6.8604 118.0692 61.6091 34.8177 174.9014 90 Y 5.1167 8.5611 124.1410 56.2876 41.4060 174.6623 91 F 5.7627 10.4152 122.0490 55.9620 43.7811 171.5392 92 C 5.6637 9.2125 114.7225 52.9300 39.4512 172.1494 93 A 5.1210 8.1601 118.5873 50.5894 22.5135 175.4242 94 S 5.5251 7.9908 114.0161 56.6155 66.3095 173.3921 95 G 4.3423 8.3444 105.1776 45.4795 0.0000 173.4407 96 G 3.6372 8.8707 115.5216 46.7305 0.0000 175.0221 97 G 3.4213 9.1360 110.6201 46.6724 0.0000 175.2507 98 G 3.7191 9.0861 109.7276 48.0907 0.0000 174.9805 99 T 3.9443 7.7817 110.2261 61.1943 69.2999 173.1595 100 L 5.0318 8.1457 123.0491 53.5209 45.3681 176.1451 101 Y 4.2984 8.3401 117.1154 56.3208 40.1695 174.7605 *108 F 5.4148 7.8244 122.0914 57.5028 40.9382 174.1473 109 G 4.3596 8.8864 108.6901 43.9443 0.0000 173.1442 110 A 4.6196 8.5809 119.7037 52.2116 18.6773 178.4237 111 G 3.4508 8.6307 103.7364 47.4323 0.0000 174.0536 112 T 4.8083 8.0690 116.4482 60.1529 71.7148 173.6783 113 R 4.1607 8.7626 127.9570 56.3631 30.0617 174.8413 114 L 5.1890 8.5227 128.4353 53.3522 43.7577 174.9398 115 S 4.9640 8.7359 121.6024 56.6386 64.4894 172.4028 116 V 4.9001 9.0642 128.0040 61.0860 33.3883 175.4408 117 L 4.4676 8.1480 126.3489 54.9687 42.0857 176.3391 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 A 8.26 4.30 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 3 A 7.85 4.48 1.39 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 0.00 0.00 4 V 8.09 5.06 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 1.27 0.00 0.00 0.97 0.00 0.00 5 T 8.10 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 1.25 0.00 0.00 6 Q 8.79 5.02 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 7 S 8.64 4.92 0.00 3.97 3.75 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 8 P 0.00 4.57 0.00 2.38 2.08 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 R 8.65 4.29 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 10 N 8.94 5.10 0.00 2.71 2.72 0.00 0.00 6.84 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 11 K 7.82 4.74 0.00 1.97 1.77 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.23 1.18 7.81 12 V 7.91 4.85 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 0.92 0.00 0.00 0.94 0.00 0.00 13 A 8.71 4.81 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 14 V 7.61 4.33 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 0.92 0.00 0.00 0.96 0.00 0.00 15 T 8.80 4.23 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 1.19 0.00 0.00 16 G 8.42 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.82 4.27 0.00 1.98 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 2.52 2.22 0.00 18 K 8.32 4.80 0.00 1.72 1.70 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.18 7.81 19 V 8.20 4.25 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 0.88 0.00 0.00 0.86 0.00 0.00 20 T 8.18 4.74 4.17 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 0.00 0.00 1.14 0.00 0.00 21 L 8.11 4.38 0.00 0.83 1.30 0.14 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.81 5.06 0.00 3.86 3.83 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 23 C 9.00 5.06 0.00 2.42 3.04 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 24 Q 9.07 5.47 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 25 Q 8.73 4.80 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 26 T 8.36 4.12 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 1.20 0.00 0.00 27 N 7.90 4.51 0.00 2.00 2.58 0.00 0.00 6.92 8.00 0.00 0.00 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 N 7.86 4.10 0.00 2.75 2.79 0.00 0.00 7.15 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.09 4.67 0.00 3.19 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.83 4.21 0.00 2.73 3.06 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.34 5.43 0.00 2.97 2.66 0.00 0.00 6.72 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 32 M 7.19 5.03 0.00 1.65 1.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 33 Y 8.62 4.99 0.00 2.68 2.41 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 34 W 9.17 5.23 0.00 3.25 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 35 Y 9.90 5.53 0.00 3.20 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 36 R 8.57 4.68 0.00 1.38 1.78 0.00 3.05 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 37 Q 9.18 4.40 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 38 D 8.65 5.19 0.00 2.71 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 39 T 8.46 4.43 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 40 G 8.79 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 41 H 8.20 4.66 0.00 3.20 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.27 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 43 L 8.20 3.96 0.00 1.46 1.57 0.99 0.26 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 44 R 8.36 4.67 0.00 1.82 1.91 0.00 3.15 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 45 L 8.65 4.21 0.00 2.00 1.66 0.64 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.62 4.23 1.76 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.46 0.70 0.00 0.00 47 H 8.04 5.51 0.00 3.15 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.78 5.22 0.00 2.44 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 49 S 7.36 4.15 0.00 3.58 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 50 Y 9.35 4.56 0.00 2.83 2.82 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 0.00 0.00 0.00 51 G 7.26 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 52 A 8.01 4.17 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 53 G 9.27 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 54 S 7.42 4.94 0.00 3.89 3.71 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 55 T 8.07 4.68 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 1.24 0.00 0.00 56 E 8.41 4.63 0.00 1.16 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 1.68 1.71 0.00 57 K 8.77 4.17 0.00 1.67 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.50 7.81 58 G 8.85 4.31 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 0.00 59 D 9.76 4.90 0.00 2.59 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 60 I 7.38 4.75 1.96 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 1.45 1.06 0.96 0.00 0.00 61 P 0.00 4.59 0.00 2.00 2.31 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 62 D 7.61 4.48 0.00 2.57 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 63 G 9.00 3.83 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 0.00 0.00 0.00 *65 Y 7.53 4.64 0.00 2.95 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 66 K 8.55 4.49 0.00 1.68 1.70 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.40 7.81 67 A 7.46 4.56 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 68 S 8.32 4.40 0.00 3.92 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 69 R 8.47 5.57 0.00 1.93 1.77 0.00 3.52 0.00 0.00 2.91 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 70 P 0.00 4.20 0.00 2.24 2.18 0.00 4.17 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 2.02 1.98 0.00 71 S 7.60 4.64 0.00 4.11 3.93 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 72 Q 8.51 4.00 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 73 E 8.14 4.17 0.00 2.02 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 2.39 2.36 0.00 74 Q 8.21 5.06 0.00 2.41 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 75 F 9.49 5.33 0.00 2.98 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 76 S 9.03 5.22 0.00 3.79 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 77 L 7.55 4.56 0.00 0.27 0.13 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.78 4.87 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 0.84 0.00 0.00 79 L 8.76 4.43 0.00 1.53 1.56 0.76 0.55 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 80 E 8.07 3.81 0.00 1.88 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 2.33 2.22 0.00 81 S 7.98 4.90 0.00 3.83 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 82 A 8.35 3.98 1.21 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 0.00 0.00 0.00 83 T 8.51 4.69 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 1.15 0.00 0.00 84 P 0.00 4.36 0.00 2.22 2.09 0.00 3.64 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 2.12 2.12 0.00 85 S 8.08 4.47 0.00 3.99 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 86 Q 8.07 4.74 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 87 T 7.46 4.58 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 1.29 0.00 0.00 88 S 7.85 4.51 0.00 3.53 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 89 V 6.86 4.81 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 0.71 0.00 0.00 0.91 0.00 0.00 90 Y 8.56 5.12 0.00 2.98 2.82 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 0.00 0.00 0.00 91 F 10.42 5.76 0.00 3.26 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 92 C 9.21 5.66 0.00 2.59 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 93 A 8.16 5.12 0.72 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 94 S 7.99 5.53 0.00 4.01 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 95 G 8.34 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 96 G 8.87 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 97 G 9.14 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.09 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 99 T 7.78 3.94 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 1.26 0.00 0.00 100 L 8.15 5.03 0.00 1.49 1.39 0.70 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.34 4.30 0.00 2.99 2.90 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 0.00 0.00 0.00 *108 F 7.82 5.41 0.00 2.80 3.27 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 0.00 109 G 8.89 4.36 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 0.00 110 A 8.58 4.62 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 3.45 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 0.00 112 T 8.07 4.81 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 1.22 0.00 0.00 113 R 8.76 4.16 0.00 1.81 1.90 0.00 3.29 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 114 L 8.52 5.19 0.00 1.90 1.83 0.97 0.73 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 0.00 115 S 8.74 4.96 0.00 3.94 3.71 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 0.00 116 V 9.06 4.90 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 0.95 0.00 0.00 117 L 8.15 4.47 0.00 1.48 1.48 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.