NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2842 8.1749 110.9427 60.6494 71.0739 173.3312 3 E 4.4204 7.9461 121.7948 53.2219 32.2810 173.7581 4 L 4.4136 9.4329 129.3936 54.9538 42.4502 175.7999 5 L 4.5324 8.7096 126.8598 56.0829 43.2641 176.9186 6 F 4.5723 7.6735 118.8682 57.2226 42.9466 173.0295 7 N 4.8827 7.5462 120.7263 53.4525 40.4371 173.2920 8 K 4.5751 8.5474 125.2458 54.7006 37.1902 176.0775 9 R 4.7234 8.5323 122.8680 56.4404 31.0171 175.6525 10 L 4.5911 8.7626 121.8959 54.6824 44.3860 174.0804 11 Q 4.5376 9.1454 121.8356 56.0642 30.0441 175.3432 12 V 4.6287 8.4177 124.2149 61.3003 35.7352 173.4142 13 L 4.4876 8.8407 130.3175 54.8218 42.2178 176.6328 14 V 4.7107 8.6942 127.2853 63.5592 33.2287 176.1704 *22 R 4.1708 7.7540 119.6756 55.8950 31.6105 174.8638 23 R 4.8310 8.6353 122.6124 55.9451 30.0278 175.6714 24 S 4.7954 8.8378 120.7768 56.6755 66.0035 173.6442 25 V 4.5668 8.1828 122.7598 61.9701 32.1011 175.0903 26 I 4.6807 8.4841 120.9522 59.0237 41.6457 174.1247 27 R 4.8325 9.0100 124.4672 55.2364 31.6738 174.9362 28 V 4.9204 8.8844 127.1882 61.3345 33.9721 174.2350 29 S 5.3142 9.2073 122.2307 56.6336 65.5645 172.3671 30 I 5.2007 8.8112 128.0064 59.5455 40.1522 174.5263 31 E 5.1749 8.8902 122.8035 55.2497 34.0986 173.5807 32 L 4.9799 8.8202 120.0357 53.3387 43.4553 177.1305 33 Q 4.1686 8.8907 124.0736 56.8700 31.3660 175.1993 *44 L 4.4067 7.5165 118.3847 54.8855 44.0645 175.8668 45 V 4.7906 8.9640 125.1459 61.2665 34.3080 174.1565 46 V 4.6305 8.4898 128.7453 62.0068 33.3234 174.7998 47 R 4.9220 9.0269 127.1367 54.8238 33.8945 173.2513 48 L 5.4328 9.2510 126.8591 53.4107 44.4051 175.7561 49 T 5.6459 9.0214 113.0415 59.1035 73.5346 172.0436 50 D 4.9751 8.5882 119.4889 52.6453 43.6893 175.7281 51 D 4.5653 9.2510 126.4357 56.4225 40.9801 176.9859 52 T 4.4412 8.4880 108.1875 61.1645 69.6061 174.1195 53 D 4.5345 8.1962 122.7101 52.6357 42.3340 174.7297 54 L 3.8745 8.7984 128.8313 58.2404 41.9734 177.5558 55 Y 4.2962 8.1939 112.2579 57.9562 38.2135 174.5618 56 F 4.5589 8.4138 125.0274 57.3930 40.6972 174.3426 57 L 4.6057 7.3992 127.1158 54.1614 45.7957 173.3230 58 Y 4.8831 8.9927 123.7042 56.3840 41.3387 174.3127 59 N 5.4937 8.7451 122.1007 51.4239 41.2135 173.7123 60 L 4.7043 8.2381 119.1790 54.4158 46.3640 173.3379 61 I 4.9049 8.6382 127.2818 59.8844 38.8328 174.9027 62 I 4.4222 8.6373 128.5299 59.9355 39.1056 175.6357 *65 E 4.3675 8.7270 125.6246 56.4891 31.5474 177.7054 66 D 4.4098 8.0563 117.9955 57.3928 40.7912 178.4023 67 F 4.2973 8.2917 120.2826 60.7025 39.4445 177.2183 68 Q 3.7245 7.8657 117.9537 59.1828 28.3584 178.6570 69 S 4.0625 7.8421 114.1856 61.4452 62.9549 176.1190 70 L 3.9608 7.4385 121.9385 57.6591 41.8302 178.5764 71 K 3.6765 7.3529 119.3115 58.4599 32.2352 177.4996 72 V 3.7878 7.2111 117.9734 63.0538 32.8953 174.6171 *79 D 4.8238 7.9321 116.5058 53.4600 42.1895 174.8278 80 F 3.3249 8.8801 120.8982 60.9462 38.9388 176.5891 81 T 4.0749 7.7377 108.1366 64.6244 69.5849 176.7267 82 S 4.2743 7.9412 117.2319 60.3984 62.8656 176.0155 83 F 4.3600 7.9478 123.9429 60.9514 39.0503 174.9982 84 P 3.8461 0.0000 0.0000 65.7039 31.0544 178.3248 85 Q 3.8660 7.8504 117.4380 58.9204 29.0408 177.7317 86 K 3.8441 7.9002 120.5183 59.5142 32.1695 178.2908 87 F 4.2335 8.2035 120.8673 61.5525 39.1917 177.0089 88 I 3.1204 7.9041 119.6335 64.3935 36.8288 178.0593 89 D 4.3153 8.7540 120.0503 57.4158 40.7619 178.9671 90 L 3.9581 7.9631 119.3544 57.7067 41.6341 179.5160 91 L 4.0088 8.0243 118.9300 57.9164 41.5115 179.3834 92 E 4.0319 8.3731 118.5988 59.6534 29.3671 179.5368 93 Q 3.9184 7.8500 117.6121 58.9483 28.4458 178.4111 94 C 4.3517 7.8039 116.5660 63.0794 28.4348 175.9170 95 I 4.0979 7.8501 121.1204 64.8812 36.5382 178.4156 96 C 4.2541 8.1091 115.8566 62.2572 28.1793 175.2112 97 E 4.3187 8.0669 118.7141 57.3558 29.1202 178.2567 98 Q 4.0580 7.5818 118.2053 58.8938 28.9082 177.4233 99 D 4.7071 7.7591 115.5496 54.1025 41.0366 176.4484 100 K 4.4378 7.7373 120.0468 55.3982 33.3551 176.6164 101 E 4.1857 8.5141 118.6210 58.3405 29.7677 176.7946 102 N 4.6908 7.6655 116.0257 51.3454 39.6028 170.7709 103 P 4.4534 0.0000 0.0000 62.0124 31.8903 176.6524 104 R 4.1717 8.7548 122.4716 59.1266 30.9049 176.7435 105 F 5.2291 8.2733 115.8761 55.7398 40.9297 175.2323 106 L 4.7040 8.7501 122.1002 54.5378 44.1839 174.2115 107 L 5.0223 8.5519 122.8489 54.2598 44.2849 174.8015 108 Q 5.0782 8.7986 124.6371 54.4389 33.4957 173.2086 109 L 5.1559 9.0559 126.2319 53.4863 45.3684 175.1038 110 S 4.8457 8.9543 119.7122 57.0704 66.4134 173.0169 111 S 4.8648 8.2018 118.8747 56.7169 64.6317 172.9216 *119 S 4.3885 8.3731 112.1937 57.5716 63.9352 172.1665 120 P 4.7510 0.0000 0.0000 63.5445 31.8873 175.6182 121 S 4.8435 9.0872 117.5499 56.9277 68.0729 172.5904 122 N 5.3267 9.4994 119.7505 51.5640 40.9643 173.7305 123 L 4.8580 8.6806 127.2796 54.2204 43.8341 175.1260 124 N 5.7791 9.0622 123.1242 50.4547 42.8409 173.3828 125 I 4.1924 8.4164 124.1855 60.2890 38.5300 175.2285 126 V 4.2335 8.4322 127.1823 60.8433 34.4213 173.5716 127 E 4.5939 8.3717 128.7020 54.3587 30.8089 175.8203 128 T 4.4570 8.8214 120.5761 61.7011 69.2230 174.4827 *137 L 4.2060 7.8436 120.3222 56.2356 44.0090 176.4590 138 S 5.1547 8.1573 113.9045 57.4588 65.4600 173.0658 139 L 4.6923 9.2241 127.2441 52.9187 44.9014 176.0509 140 K 4.9331 8.6865 125.5978 55.3108 31.1965 175.3837 141 L 4.3724 8.9945 125.8064 54.2068 43.3950 175.5493 142 L 5.1522 8.6694 122.7989 52.3436 43.9064 174.3754 143 P 3.7113 0.0000 0.0000 62.0757 32.1085 176.4481 144 G 3.9095 8.5126 110.2304 46.8411 0.0000 172.9940 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 T 8.17 4.28 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 3 E 7.95 4.42 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 4 L 9.43 4.41 0.00 1.63 1.57 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.71 4.53 0.00 1.68 1.68 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.67 4.57 0.00 2.90 2.64 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 7 N 7.55 4.88 0.00 2.64 2.53 0.00 0.00 6.85 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 8 K 8.55 4.58 0.00 1.55 1.48 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.57 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.93 0.24 7.81 9 R 8.53 4.72 0.00 1.69 1.86 0.00 3.30 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 10 L 8.76 4.59 0.00 1.88 1.79 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.15 4.54 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.61 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 12 V 8.42 4.63 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 0.87 0.00 0.00 0.98 0.00 0.00 13 L 8.84 4.49 0.00 1.83 1.54 0.92 0.54 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 14 V 8.69 4.71 2.19 0.00 0.00 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 0.94 0.00 0.00 *22 R 7.75 4.17 0.00 1.96 1.82 0.00 3.22 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 23 R 8.64 4.83 0.00 1.97 1.96 0.00 3.06 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 24 S 8.84 4.80 0.00 3.72 3.70 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 25 V 8.18 4.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 26 I 8.48 4.68 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.76 0.00 0.00 27 R 9.01 4.83 0.00 1.91 1.90 0.00 3.09 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 28 V 8.88 4.92 2.28 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 0.79 0.00 0.00 1.02 0.00 0.00 29 S 9.21 5.31 0.00 3.94 3.70 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 30 I 8.81 5.20 1.79 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.30 0.80 0.00 0.00 31 E 8.89 5.17 0.00 2.14 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 2.40 2.32 0.00 32 L 8.82 4.98 0.00 1.63 1.67 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.89 4.17 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 *44 L 7.52 4.41 0.00 1.90 1.93 0.73 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.96 4.79 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 0.94 0.00 0.00 0.99 0.00 0.00 46 V 8.49 4.63 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 1.04 0.00 0.00 1.14 0.00 0.00 47 R 9.03 4.92 0.00 1.93 1.85 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 48 L 9.25 5.43 0.00 1.97 1.90 1.04 0.46 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 49 T 9.02 5.65 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 1.28 0.00 0.00 50 D 8.59 4.98 0.00 2.42 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 51 D 9.25 4.57 0.00 2.70 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 52 T 8.49 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 1.20 0.00 0.00 53 D 8.20 4.53 0.00 2.78 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 54 L 8.80 3.87 0.00 1.61 1.64 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.19 4.30 0.00 3.02 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 56 F 8.41 4.56 0.00 3.49 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 57 L 7.40 4.61 0.00 1.67 1.25 0.90 0.80 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 58 Y 8.99 4.88 0.00 2.81 2.77 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 0.00 0.00 0.00 0.00 59 N 8.75 5.49 0.00 2.86 2.92 0.00 0.00 6.04 6.16 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 60 L 8.24 4.70 0.00 1.78 1.59 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.64 4.90 1.92 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 1.40 0.81 0.98 0.00 0.00 62 I 8.64 4.42 2.15 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 1.19 0.00 0.00 *65 E 8.73 4.37 0.00 2.01 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 2.27 2.33 0.00 66 D 8.06 4.41 0.00 2.83 2.77 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 0.00 0.00 0.00 0.00 67 F 8.29 4.30 0.00 3.23 3.18 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 0.00 68 Q 7.87 3.72 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 69 S 7.84 4.06 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.44 3.96 0.00 1.71 1.58 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.35 3.68 0.00 0.83 1.57 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.13 7.81 72 V 7.21 3.79 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 0.80 0.00 0.00 0.86 0.00 0.00 *79 D 7.93 4.82 0.00 2.95 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 80 F 8.88 3.32 0.00 2.92 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 T 7.74 4.07 4.26 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 1.33 0.00 0.00 82 S 7.94 4.27 0.00 3.96 3.99 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 0.00 0.00 0.00 83 F 7.95 4.36 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 3.85 0.00 2.02 1.89 0.00 3.50 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 85 Q 7.85 3.87 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 86 K 7.90 3.84 0.00 2.01 2.15 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.62 7.81 87 F 8.20 4.23 0.00 2.56 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 88 I 7.90 3.12 1.90 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 1.04 0.43 0.99 0.00 0.00 89 D 8.75 4.32 0.00 2.80 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 90 L 7.96 3.96 0.00 2.08 1.93 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.02 4.01 0.00 1.50 1.52 -0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.37 4.03 0.00 2.10 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 0.00 2.62 2.54 0.00 93 Q 7.85 3.92 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 94 C 7.80 4.35 0.00 3.30 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 95 I 7.85 4.10 2.12 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 1.58 1.66 0.93 0.00 0.00 96 C 8.11 4.25 0.00 3.06 2.99 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 0.00 0.00 0.00 97 E 8.07 4.32 0.00 2.12 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 0.00 2.62 2.60 0.00 98 Q 7.58 4.06 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.15 0.00 0.00 0.00 0.00 0.00 2.43 2.79 0.00 99 D 7.76 4.71 0.00 2.67 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 0.00 100 K 7.74 4.44 0.00 1.91 1.77 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.56 7.81 101 E 8.51 4.19 0.00 1.94 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 2.29 2.35 0.00 102 N 7.67 4.69 0.00 2.63 2.69 0.00 0.00 7.02 7.69 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 0.00 103 P 0.00 4.45 0.00 2.14 2.10 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 104 R 8.75 4.17 0.00 2.02 2.16 0.00 3.18 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 105 F 8.27 5.23 0.00 2.85 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 0.00 106 L 8.75 4.70 0.00 1.75 1.74 0.91 0.21 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 0.00 107 L 8.55 5.02 0.00 1.86 1.76 1.05 0.62 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 0.00 108 Q 8.80 5.08 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 109 L 9.06 5.16 0.00 1.73 1.44 0.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.95 4.85 0.00 3.88 3.59 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 0.00 111 S 8.20 4.86 0.00 3.83 3.74 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 *119 S 8.37 4.39 0.00 3.98 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 0.00 120 P 0.00 4.75 0.00 1.99 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 121 S 9.09 4.84 0.00 3.21 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 0.00 122 N 9.50 5.33 0.00 2.49 2.85 0.00 0.00 6.99 6.62 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 0.00 123 L 8.68 4.86 0.00 1.77 1.54 1.06 0.45 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 0.00 124 N 9.06 5.78 0.00 2.59 2.73 0.00 0.00 6.83 8.17 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 0.00 125 I 8.42 4.19 1.93 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 1.41 0.50 1.09 0.00 0.00 126 V 8.43 4.23 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 0.84 0.00 0.00 0.87 0.00 0.00 127 E 8.37 4.59 0.00 1.16 1.50 0.00 0.00 0.00 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 2.22 0.00 128 T 8.82 4.46 4.21 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 1.16 0.00 0.00 *137 L 7.84 4.21 0.00 1.58 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.16 5.15 0.00 3.79 3.65 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 0.00 139 L 9.22 4.69 0.00 1.57 1.53 0.69 0.70 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 0.00 140 K 8.69 4.93 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.61 7.81 141 L 8.99 4.37 0.00 1.72 1.71 0.93 0.96 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 0.00 142 L 8.67 5.15 0.00 1.88 1.59 0.95 0.76 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 0.00 143 P 0.00 3.71 0.00 1.84 1.80 0.00 3.83 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 1.94 2.06 0.00 144 G 8.51 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 * Residues marked with a * may have inaccurate shift predictions.