NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2882 8.1744 117.3717 63.7905 69.7586 173.8896 3 N 4.6782 8.2521 123.8403 52.0051 40.2432 170.3727 4 R 4.7542 8.4673 123.1219 54.2831 33.7716 172.7103 5 L 4.7862 9.2843 129.2790 53.2435 44.8215 175.1989 6 V 4.9582 8.4018 118.9722 59.4942 34.2743 174.8540 7 L 4.7862 9.1631 127.4843 53.5660 45.6727 175.1339 8 S 5.1270 8.7034 120.0313 56.5400 65.5433 173.4523 9 G 4.0052 7.7201 107.0229 47.0586 0.0000 171.1143 10 T 5.0993 7.9708 116.4107 61.2242 71.4174 174.5706 11 V 4.1555 8.9567 127.5411 63.3955 32.2839 175.7122 12 C 5.0151 9.0347 121.8967 58.0152 30.5166 174.0471 13 R 4.5650 7.8954 117.4562 54.4003 33.7439 174.4883 14 A 3.8694 8.8300 124.3858 52.1668 18.6190 175.2987 15 P 4.5958 0.0000 0.0000 62.7936 32.1648 175.8623 16 L 4.3890 9.6104 128.8417 54.2451 42.9059 175.2217 17 R 5.2035 8.3690 125.9192 54.6366 32.2319 175.7337 18 K 4.5223 8.5722 121.2127 56.3548 36.6738 174.1018 19 V 5.0071 8.1585 119.4839 60.7738 34.2156 175.4836 20 S 4.3747 9.1206 122.7412 57.3621 63.4533 173.5588 21 P 4.3935 0.0000 0.0000 65.1516 31.0082 177.0525 22 S 4.4944 8.1046 112.3110 57.9711 63.1434 174.6124 23 G 3.8235 8.7577 108.5827 45.8657 0.0000 173.4161 24 I 4.2456 8.8650 122.6335 59.0591 38.3951 173.6116 25 P 5.0148 0.0000 0.0000 62.9863 32.9297 175.0245 26 H 5.4897 9.5315 117.6393 54.3850 32.5374 171.6283 27 C 5.3387 9.1949 121.1879 57.8536 34.3716 172.4667 28 Q 5.0883 8.9023 125.5642 54.3898 31.8431 174.6477 29 F 4.8573 7.8854 116.1906 56.6024 42.0955 172.3176 30 V 4.6299 8.5022 118.0957 60.9669 34.0119 173.6642 31 L 4.9024 8.4753 129.3210 53.4456 44.1398 174.2681 32 E 4.7389 9.2043 129.0725 55.4291 31.1912 174.1079 33 H 5.2219 9.3167 127.3530 54.4825 32.7499 172.9955 34 R 5.4535 8.0607 123.0889 54.8915 33.9939 174.2542 35 S 4.5945 8.9251 116.5936 57.7733 67.0029 173.3556 36 V 4.7223 8.3263 120.3444 61.5819 32.8760 174.8546 37 Q 4.7014 9.5642 126.0095 54.0690 32.9952 173.6559 38 E 4.9560 8.7568 123.4412 54.5659 31.3285 174.7505 39 E 4.4614 9.2704 127.5193 55.2401 32.0453 174.9715 40 A 3.9234 9.9942 129.5597 53.2017 16.2244 177.8496 41 G 3.8245 8.6561 108.7351 46.6431 0.0000 174.5362 42 F 4.6463 8.1905 118.4814 56.5282 40.5644 174.3979 43 H 5.4331 8.8527 120.6040 54.5157 29.6493 174.4417 44 R 4.8251 9.1896 120.1730 54.2795 33.2369 174.0525 45 Q 5.0072 8.7192 120.6821 55.0377 30.7441 174.3065 46 A 4.9869 8.9296 127.4738 50.0992 21.6919 175.2663 47 W 6.1458 8.6399 130.5345 56.6257 34.0835 173.3181 48 C 3.3246 6.9846 117.4465 57.2759 31.6580 172.4277 49 Q 5.0085 7.5522 118.3332 52.6783 32.0202 173.1404 *51 P 4.2337 0.0000 0.0000 62.4875 33.3422 175.8863 52 V 4.5698 8.3956 123.2051 60.8591 34.9933 173.8934 53 I 4.6637 8.4656 127.1848 59.0141 41.3920 174.0468 54 V 4.4668 8.6865 129.1770 61.5582 33.1734 174.2869 55 S 5.1335 8.8918 123.6115 57.5342 65.5773 175.2591 56 G 4.0349 8.5814 107.7441 45.8438 0.0000 173.8261 57 H 4.3400 8.6290 116.6642 58.6253 29.1994 177.8956 58 E 3.9846 8.4498 118.0924 59.7121 29.2980 177.6906 59 N 4.7726 8.0331 113.2267 53.5872 39.0391 177.1287 60 Q 4.0560 7.7973 118.9123 58.7585 28.9478 178.1239 61 A 3.8070 7.8174 121.2481 55.2945 18.6569 179.2713 62 I 3.6185 7.8955 118.0903 65.1267 36.9898 178.4795 63 T 4.0215 7.6618 108.8344 64.8339 68.4247 176.1424 64 H 3.6593 8.0029 118.8587 58.7351 28.7885 176.5317 65 S 4.4542 7.5315 112.1049 57.7007 63.6637 173.6949 66 I 4.2927 7.9497 117.8686 59.6624 39.1934 174.6384 67 T 4.4047 7.7232 116.1504 60.3824 70.4288 172.3147 68 V 3.8299 8.1431 123.0031 64.6028 31.4337 175.4126 69 G 4.0701 8.7328 115.9295 45.4085 0.0000 173.8276 70 S 4.2253 8.4006 116.2088 58.3860 63.5411 172.9829 71 R 5.1928 8.5008 125.9284 54.6576 31.6326 175.3956 72 I 4.9002 8.8085 116.5696 59.7545 42.3341 173.9441 73 T 4.9811 8.6648 118.0876 61.8730 71.7685 173.4879 74 V 4.9335 9.1694 126.7290 61.0455 34.8138 173.9582 75 Q 4.9930 8.6153 127.3884 54.4801 32.2316 175.1782 76 G 4.2970 8.2573 112.1250 45.9502 0.0000 171.5138 77 F 5.3638 7.7303 113.6617 55.0712 40.9267 174.6810 78 I 4.9000 8.2551 113.3640 60.0897 39.6203 174.5622 79 S 4.6491 8.3700 116.1823 57.6310 65.6568 173.1432 80 C 4.8121 8.5102 125.4051 58.5367 33.0092 172.3801 81 H 4.9747 9.0294 121.5652 54.0211 32.9587 173.1262 82 K 4.5723 8.7809 121.7013 55.1634 32.1167 176.5662 83 A 4.2868 8.3547 129.4620 51.1024 19.3044 178.2101 84 K 4.0206 8.4042 119.4038 59.5385 32.2473 177.4716 85 N 4.4836 8.0492 113.9643 53.9233 38.8096 174.6243 86 G 4.3215 8.2763 110.2918 45.5730 0.0000 174.4303 87 L 4.1132 7.5403 118.8474 54.5951 42.2313 176.1163 88 S 4.7641 8.2962 115.8338 57.8276 64.1656 173.9154 89 K 4.7603 8.9673 127.1216 54.7639 35.7837 174.7733 *91 V 4.1804 8.1636 110.2953 61.4125 33.6163 174.3955 92 L 4.6405 8.7233 126.1175 54.2640 43.6525 175.1362 93 H 4.7953 8.6617 124.9557 54.0601 29.4182 174.7178 94 A 4.4067 8.5262 126.5664 52.2250 18.3239 176.7225 95 E 4.6359 9.3779 120.0524 56.8892 32.6594 176.7022 96 Q 4.7525 7.9332 116.2324 54.2426 33.4271 174.6381 97 I 5.1345 8.2740 121.6519 60.0126 41.5066 174.1176 98 E 4.7742 8.9920 125.7523 54.5953 32.3829 176.7916 99 L 4.3673 8.7056 122.2283 55.0083 42.3511 176.9847 100 I 4.1270 7.4617 117.8147 60.9152 37.6551 175.1907 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 4.29 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 3 N 8.25 4.68 0.00 2.77 2.69 0.00 0.00 6.75 6.77 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 4 R 8.47 4.75 0.00 1.82 1.76 0.00 3.25 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 5 L 9.28 4.79 0.00 1.72 1.46 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.40 4.96 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 0.76 0.00 0.00 0.93 0.00 0.00 7 L 9.16 4.79 0.00 1.64 1.41 0.64 0.53 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 8 S 8.70 5.13 0.00 4.02 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 9 G 7.72 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 10 T 7.97 5.10 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 1.26 0.00 0.00 11 V 8.96 4.16 2.12 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 0.92 0.00 0.00 0.53 0.00 0.00 12 C 9.03 5.02 0.00 3.03 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 13 R 7.90 4.56 0.00 1.83 1.86 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 14 A 8.83 3.87 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 15 P 0.00 4.60 0.00 1.96 2.07 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.94 0.00 16 L 9.61 4.39 0.00 1.70 1.69 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.37 5.20 0.00 1.73 1.85 0.00 3.31 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 18 K 8.57 4.52 0.00 1.81 1.86 0.00 1.07 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.12 0.84 7.81 19 V 8.16 5.01 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 0.89 0.00 0.00 0.96 0.00 0.00 20 S 9.12 4.37 0.00 3.94 3.81 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 21 P 0.00 4.39 0.00 2.20 2.24 0.00 3.75 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 1.99 1.96 0.00 22 S 8.10 4.49 0.00 3.98 3.98 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 0.00 0.00 0.00 23 G 8.76 3.82 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 0.00 0.00 0.00 24 I 8.87 4.25 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.83 0.00 0.00 25 P 0.00 5.01 0.00 2.10 2.14 0.00 3.45 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 1.99 1.67 0.00 26 H 9.53 5.49 0.00 3.12 3.32 0.00 5.22 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.19 5.34 0.00 3.04 2.87 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 0.00 0.00 0.00 0.00 28 Q 8.90 5.09 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.32 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 29 F 7.89 4.86 0.00 3.13 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 30 V 8.50 4.63 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 1.03 0.00 0.00 0.94 0.00 0.00 31 L 8.48 4.90 0.00 1.99 1.54 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.20 4.74 0.00 2.13 1.96 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 2.43 2.36 0.00 33 H 9.32 5.22 0.00 3.21 2.97 0.00 5.59 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.06 5.45 0.00 1.71 1.83 0.00 3.38 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 35 S 8.93 4.59 0.00 3.91 3.89 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 0.00 0.00 0.00 0.00 36 V 8.33 4.72 2.12 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 0.89 0.00 0.00 0.97 0.00 0.00 37 Q 9.56 4.70 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 38 E 8.76 4.96 0.00 1.85 1.81 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 2.18 2.17 0.00 39 E 9.27 4.46 0.00 1.97 1.80 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 2.25 2.26 0.00 40 A 9.99 3.92 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.66 3.82 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 0.00 0.00 0.00 42 F 8.19 4.65 0.00 3.24 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 43 H 8.85 5.43 0.00 3.03 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.19 4.83 0.00 1.83 2.03 0.00 2.77 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 45 Q 8.72 5.01 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 46 A 8.93 4.99 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 47 W 8.64 6.15 0.00 3.30 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 48 C 6.98 3.32 0.00 2.56 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 49 Q 7.55 5.01 0.00 1.76 1.97 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 2.24 2.08 0.00 *51 P 0.00 4.23 0.00 1.99 1.91 0.00 3.44 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 2.02 0.00 52 V 8.40 4.57 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.75 0.00 0.00 53 I 8.47 4.66 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.45 0.49 0.00 0.00 54 V 8.69 4.47 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 1.03 0.00 0.00 1.02 0.00 0.00 55 S 8.89 5.13 0.00 3.78 3.73 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 56 G 8.58 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 57 H 8.63 4.34 0.00 3.28 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.45 3.98 0.00 1.97 2.04 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 2.34 2.38 0.00 59 N 8.03 4.77 0.00 2.76 2.84 0.00 0.00 7.03 7.68 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 60 Q 7.80 4.06 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 61 A 7.82 3.81 1.28 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 0.00 0.00 62 I 7.90 3.62 1.87 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 1.69 1.11 0.91 0.00 0.00 63 T 7.66 4.02 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 1.32 0.00 0.00 64 H 8.00 3.66 0.00 3.27 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.53 4.45 0.00 4.06 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 66 I 7.95 4.29 1.57 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.81 0.00 0.00 67 T 7.72 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 1.17 0.00 0.00 68 V 8.14 3.83 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 0.83 0.00 0.00 0.92 0.00 0.00 69 G 8.73 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.40 4.23 0.00 3.83 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 71 R 8.50 5.19 0.00 1.71 1.83 0.00 3.21 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 72 I 8.81 4.90 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 0.84 0.00 0.00 73 T 8.66 4.98 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 1.23 0.00 0.00 74 V 9.17 4.93 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 1.10 0.00 0.00 1.04 0.00 0.00 75 Q 8.62 4.99 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 76 G 8.26 4.30 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 0.00 77 F 7.73 5.36 0.00 3.24 3.22 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 78 I 8.26 4.90 1.87 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 1.28 0.72 0.89 0.00 0.00 79 S 8.37 4.65 0.00 4.09 3.77 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 80 C 8.51 4.81 0.00 2.98 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 81 H 9.03 4.97 0.00 3.03 3.11 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.78 4.57 0.00 1.65 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 83 A 8.35 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 84 K 8.40 4.02 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 85 N 8.05 4.48 0.00 2.74 2.85 0.00 0.00 7.04 7.65 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 86 G 8.28 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 0.00 0.00 0.00 0.00 87 L 7.54 4.11 0.00 1.77 1.64 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.30 4.76 0.00 3.85 3.78 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 89 K 8.97 4.76 0.00 1.75 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 *91 V 8.16 4.18 2.04 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 0.82 0.00 0.00 0.87 0.00 0.00 92 L 8.72 4.64 0.00 1.60 1.51 0.88 0.99 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 93 H 8.66 4.80 0.00 1.46 2.62 0.00 5.87 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 94 A 8.53 4.41 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 95 E 9.38 4.64 0.00 1.99 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 2.36 2.33 0.00 96 Q 7.93 4.75 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 97 I 8.27 5.13 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.94 0.00 0.00 98 E 8.99 4.77 0.00 1.91 1.81 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 2.22 2.25 0.00 99 L 8.71 4.37 0.00 1.62 1.68 0.87 0.82 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 0.00 100 I 7.46 4.13 1.87 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 1.27 0.54 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.