NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.6375 8.1076 122.4717 51.1477 20.7327 176.1850 17 W 6.2009 7.6315 109.4282 54.2923 31.8286 171.9656 18 R 4.6550 8.9906 117.9646 55.0450 34.6813 175.2117 19 R 5.1467 8.7136 122.7576 55.3320 31.8762 176.1374 20 A 4.5468 9.0880 128.9529 51.5643 21.4189 176.5472 21 G 3.9511 8.4038 114.2787 48.2816 0.0000 174.3346 22 D 4.3427 8.7071 123.4761 55.0347 41.4074 175.6546 23 F 5.0824 7.9312 119.0452 56.5174 41.0578 174.7772 24 I 5.1675 8.9584 122.2602 59.6202 40.7259 174.4401 25 F 5.2930 9.3749 124.8020 55.7736 41.5687 174.4723 26 L 5.4761 8.4869 123.2293 52.9006 43.7573 176.8772 27 S 4.3759 9.0704 119.0113 58.2163 63.7535 174.6027 28 G 4.1844 8.6445 109.5964 46.5641 0.0000 172.6712 29 I 4.6785 9.2339 126.6928 59.8376 39.0858 175.0058 30 I 4.7464 8.2393 119.6766 57.7130 40.3482 174.2147 31 P 4.7579 0.0000 0.0000 62.5403 29.2721 175.3984 32 V 4.6499 7.2217 113.2037 59.7340 35.0001 176.6943 33 N 4.6096 8.7732 124.8627 52.5000 39.3472 173.4379 34 P 4.7440 0.0000 0.0000 63.1225 31.9744 176.6151 *36 T 4.1758 7.8731 115.8794 63.1343 70.5083 175.8143 37 G 4.0134 8.2658 107.4479 46.0986 0.0000 172.9220 38 T 4.6469 6.9945 109.5961 59.4709 71.7740 173.8571 39 I 4.1818 8.1078 124.2531 60.9390 37.7950 176.1348 40 V 3.8970 8.1963 128.6447 62.5882 31.9709 176.1731 41 N 4.9294 8.8644 126.3376 50.4499 37.7027 174.4993 42 G 4.0172 7.9568 109.1861 46.1062 0.0000 173.9780 43 F 4.3555 7.8660 118.5229 60.6088 38.9560 178.1457 44 Q 4.1058 8.2351 117.0174 58.7600 28.3337 176.6730 45 D 4.8201 8.1937 117.3271 54.1431 41.0614 176.3878 46 V 4.6148 7.6001 112.7349 58.1994 35.1516 173.8495 47 P 4.2295 0.0000 0.0000 63.3742 31.9528 176.8016 48 E 3.7267 8.7564 123.9379 58.6754 29.8787 177.0431 49 P 4.2525 0.0000 0.0000 66.2703 30.8704 178.2626 50 V 3.1901 7.6913 117.5231 64.9705 31.2961 177.9404 51 R 3.6706 7.2367 117.0881 59.4049 29.7999 178.2238 52 E 3.7981 7.9917 118.0164 59.4473 29.3311 178.7718 53 L 3.9948 7.0338 117.5340 57.5934 41.7903 178.9360 54 L 4.3586 8.1073 117.4558 55.6347 41.6635 177.8723 55 G 4.0552 7.8563 107.4704 44.9965 0.0000 173.6371 56 A 3.9373 7.3369 121.6839 52.8028 18.5400 178.1651 57 T 4.3120 9.3233 114.8287 61.2966 69.4432 174.1214 58 G 4.3232 9.1410 110.5603 45.8616 0.0000 174.7368 59 E 4.2223 7.7716 118.9002 55.8050 31.4414 177.7572 60 F 4.2590 8.7839 124.8188 61.5530 39.8198 177.9464 61 S 3.9413 8.1458 114.2571 61.8354 62.6150 176.7149 62 T 3.8627 7.8159 117.6845 66.9686 68.3745 176.4881 63 D 4.5668 8.1703 120.1970 56.9976 40.5565 178.7174 64 A 3.7903 7.5618 121.0409 54.9525 18.3647 179.4952 65 K 3.9969 7.5865 115.7942 59.2058 32.5649 179.1145 66 Q 3.6343 8.2671 117.7525 57.9374 28.8920 178.4374 67 G 2.3089 7.4923 108.0484 46.6294 0.0000 173.6601 68 P 4.0798 0.0000 0.0000 65.4098 31.4039 178.5121 69 I 3.6052 7.3080 116.5476 63.9022 37.8955 177.7232 70 L 4.0588 7.7596 119.6135 57.7925 41.4315 179.2977 71 A 4.1842 7.9131 120.6119 55.4572 18.4276 179.7317 72 Q 4.0313 8.4657 116.8867 59.2242 28.6828 179.2791 73 S 4.2656 8.7781 116.6069 61.3758 62.9082 176.5536 74 W 4.1556 8.7763 131.4719 60.6636 30.5348 177.2862 75 Y 3.6134 8.8055 119.9412 60.5631 38.1952 178.4588 76 V 3.6256 7.7189 118.8614 65.8618 31.6508 178.0802 77 L 3.5820 7.8367 119.0584 57.4435 41.1597 179.1664 78 E 3.7522 7.6224 119.5446 59.3122 29.4584 178.7553 79 S 3.9334 7.5447 115.0905 61.8321 62.8527 177.0682 80 I 3.6209 7.5105 122.1871 64.1574 36.8685 178.1149 81 R 3.7989 7.9266 119.8325 59.6597 29.8988 178.5408 82 R 3.8292 8.0914 117.7244 59.7898 29.9159 179.2056 83 T 3.8872 7.4966 113.8616 66.5863 68.7342 176.4185 84 V 3.4781 7.6898 119.8460 65.2234 31.4682 177.9531 85 A 4.4047 8.5597 122.6373 54.5471 18.0651 179.5967 86 S 4.2576 8.0721 107.4484 59.3931 62.7967 174.3384 87 A 4.2656 7.3505 121.9863 51.0503 19.9952 176.6310 88 G 3.9196 8.1086 104.9026 45.3346 0.0000 174.7560 89 G 4.0125 7.8719 109.0841 44.0350 0.0000 174.1713 90 Q 4.1117 8.7934 117.8302 56.2417 28.6403 177.5903 *92 S 4.5537 9.1428 114.1637 57.7926 65.8041 175.2072 93 D 4.4901 8.0867 120.1802 55.3909 40.8699 175.9727 94 V 4.4264 7.7712 119.8938 62.3639 31.3193 174.8665 95 I 4.4019 8.5395 121.8472 61.2159 39.9448 175.4175 96 K 5.0245 7.9693 123.9737 54.6116 35.6630 174.5336 97 L 5.1934 8.9414 127.5164 52.9988 44.6128 175.4130 98 V 4.4213 8.7722 124.6246 61.4314 33.5880 174.3733 99 Q 4.8864 8.9731 127.2740 54.3004 31.7039 173.9431 100 Y 5.2677 9.1796 122.5594 56.2434 40.6267 174.9828 101 F 5.2550 9.0959 122.0627 55.7539 42.3659 176.6067 102 R 4.2394 8.7882 121.0832 58.7098 31.0320 176.6665 103 N 4.9393 8.2713 117.4188 51.0259 40.9223 174.5749 104 L 3.9798 9.5148 127.8868 57.5708 41.3634 179.0810 105 D 4.6716 8.5171 118.6648 57.5673 41.1249 178.0159 106 H 4.8710 8.7702 116.3103 57.5956 28.7035 177.0039 107 F 4.1308 8.4743 123.9720 61.0057 39.0754 175.0791 108 P 4.0946 0.0000 0.0000 65.7712 31.1769 178.0219 109 Y 4.1225 7.7271 114.8395 61.3644 37.8482 178.0176 110 Y 4.1717 8.0514 119.9214 60.8417 38.9813 178.0290 111 S 3.6594 8.0688 114.4605 60.9054 62.1039 176.1442 112 R 3.8234 7.5665 120.9498 59.4149 30.2473 178.4170 113 V 3.8712 7.6958 117.9436 65.9800 31.5124 178.0207 114 R 3.9754 7.9062 118.7306 59.0704 29.4084 178.2550 115 K 4.0243 8.0916 119.4072 59.3501 31.8136 178.6996 116 L 4.0706 7.7955 118.6052 57.1862 41.6061 178.4361 117 F 4.4570 8.4161 115.6912 57.4372 40.7457 175.8115 118 Y 4.7696 7.6604 115.1828 55.2945 38.0908 173.0768 119 P 4.6685 0.0000 0.0000 64.7854 32.9773 178.1048 120 D 4.1853 8.2536 117.8987 54.7750 39.8661 176.2375 121 Q 4.5777 8.6514 122.2156 53.7025 31.6702 173.0607 122 P 4.2431 0.0000 0.0000 61.8546 32.1392 173.5485 123 P 4.6137 0.0000 0.0000 61.2195 33.1883 175.7278 124 V 3.6689 8.1080 119.8982 63.9166 32.3010 174.7162 125 S 5.0982 8.5379 120.7319 56.9353 65.7205 172.8873 126 T 4.6696 8.8049 122.4365 61.7339 72.2231 173.2411 127 V 4.8566 8.2851 124.6195 61.5168 34.1627 174.5862 128 V 4.5740 8.4581 120.1955 59.5576 36.2452 174.3728 129 Q 5.0344 8.6632 124.0346 55.3339 30.0659 175.0276 130 V 4.5813 8.5018 120.1909 60.0167 34.6193 175.8267 131 S 4.3854 8.7909 116.1280 61.3722 63.2391 173.9131 132 E 4.4227 7.3910 115.4830 55.4597 32.5987 174.0999 *134 L 4.0872 8.2117 118.3610 55.0805 42.5864 175.0192 135 P 4.6647 0.0000 0.0000 62.6396 32.1597 174.0639 136 D 4.4239 7.2149 117.4797 52.8996 41.4743 175.5034 137 A 4.2304 8.5135 120.9854 53.9924 18.2486 178.3758 138 T 4.0864 9.4910 106.3353 62.5954 69.4658 175.2625 139 V 3.7735 7.3357 123.5262 62.7610 31.8574 175.2824 140 L 4.5941 9.7934 127.9844 55.3390 43.3970 176.2864 141 I 4.6428 7.3968 118.5498 59.3618 41.1896 173.4218 142 E 4.8873 9.2556 130.1008 54.3250 33.1665 174.2864 143 V 4.9044 8.5066 125.5652 61.0470 34.8504 173.4393 144 E 4.9953 9.5449 128.9252 54.4937 31.8418 174.2388 145 A 5.2982 8.6928 128.1027 50.5816 22.5141 175.1610 146 T 4.8723 8.8087 116.8909 61.8402 71.9842 173.1631 147 V 4.7639 9.3114 127.9198 60.9162 34.0906 174.3413 148 W 4.5886 9.2449 135.0000 55.8396 31.5805 175.3143 149 L 4.1415 8.4050 130.2801 52.1936 42.9195 174.4209 150 P 4.0260 0.0000 0.0000 62.2100 31.1705 176.6437 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 A 8.11 4.64 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 17 W 7.63 6.20 0.00 3.60 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 18 R 8.99 4.66 0.00 1.84 1.93 0.00 3.28 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 19 R 8.71 5.15 0.00 2.07 1.93 0.00 3.31 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 20 A 9.09 4.55 1.60 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 0.00 0.00 21 G 8.40 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 22 D 8.71 4.34 0.00 2.42 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 0.00 0.00 0.00 0.00 23 F 7.93 5.08 0.00 2.82 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 24 I 8.96 5.17 1.85 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 1.43 1.09 1.22 0.00 0.00 25 F 9.37 5.29 0.00 3.14 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 26 L 8.49 5.48 0.00 1.81 1.67 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.07 4.38 0.00 3.80 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 28 G 8.64 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 0.00 0.00 0.00 0.00 29 I 9.23 4.68 1.88 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 1.32 1.34 0.94 0.00 0.00 30 I 8.24 4.75 1.85 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 1.41 0.65 0.93 0.00 0.00 31 P 0.00 4.76 0.00 2.07 2.49 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 32 V 7.22 4.65 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 0.67 0.00 0.00 0.94 0.00 0.00 33 N 8.77 4.61 0.00 2.71 2.73 0.00 0.00 7.15 8.45 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 34 P 0.00 4.74 0.00 2.26 2.17 0.00 3.99 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 *36 T 7.87 4.18 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 37 G 8.27 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 38 T 6.99 4.65 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 39 I 8.11 4.18 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.35 0.85 0.00 0.00 40 V 8.20 3.90 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 0.75 0.00 0.00 0.19 0.00 0.00 41 N 8.86 4.93 0.00 2.77 2.75 0.00 0.00 6.87 6.41 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 42 G 7.96 4.02 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 0.00 0.00 0.00 43 F 7.87 4.36 0.00 3.12 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 44 Q 8.24 4.11 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 45 D 8.19 4.82 0.00 2.80 2.76 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 0.00 0.00 0.00 0.00 46 V 7.60 4.61 1.67 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 0.97 0.00 0.00 1.03 0.00 0.00 47 P 0.00 4.23 0.00 2.12 2.19 0.00 3.58 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 1.81 2.00 0.00 48 E 8.76 3.73 0.00 1.95 1.93 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 2.32 2.27 0.00 49 P 0.00 4.25 0.00 2.22 2.26 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 50 V 7.69 3.19 1.41 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 0.15 0.00 0.00 0.63 0.00 0.00 51 R 7.24 3.67 0.00 1.88 1.51 0.00 3.07 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 52 E 7.99 3.80 0.00 1.97 1.87 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 2.32 2.41 0.00 53 L 7.03 3.99 0.00 1.56 1.66 0.86 0.95 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 54 L 8.11 4.36 0.00 1.78 1.93 1.07 1.10 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 55 G 7.86 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.32 4.31 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 1.36 0.00 0.00 58 G 9.14 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 59 E 7.77 4.22 0.00 2.08 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 2.44 2.39 0.00 60 F 8.78 4.26 0.00 3.14 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 61 S 8.15 3.94 0.00 3.95 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 62 T 7.82 3.86 4.29 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 1.29 0.00 0.00 63 D 8.17 4.57 0.00 2.90 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 64 A 7.56 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.59 4.00 0.00 1.82 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.57 7.81 66 Q 8.27 3.63 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 67 G 7.49 2.31 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 68 P 0.00 4.08 0.00 2.00 2.00 0.00 3.44 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 69 I 7.31 3.61 1.55 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.06 0.59 0.00 0.00 70 L 7.76 4.06 0.00 1.67 1.86 1.28 1.07 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 71 A 7.91 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.03 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 73 S 8.78 4.27 0.00 4.14 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 0.00 74 W 8.78 4.16 0.00 3.60 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.81 3.61 0.00 3.57 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 76 V 7.72 3.63 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 1.01 0.00 0.00 1.03 0.00 0.00 77 L 7.84 3.58 0.00 0.68 0.13 0.62 0.80 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 78 E 7.62 3.75 0.00 1.16 1.12 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 1.66 2.01 0.00 79 S 7.54 3.93 0.00 3.99 3.87 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 80 I 7.51 3.62 1.88 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 1.38 1.03 0.88 0.00 0.00 81 R 7.93 3.80 0.00 2.02 2.01 0.00 3.07 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 82 R 8.09 3.83 0.00 1.79 1.91 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 83 T 7.50 3.89 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 1.09 0.00 0.00 84 V 7.69 3.48 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 0.95 0.00 0.00 0.85 0.00 0.00 85 A 8.56 4.40 1.27 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 0.00 0.00 86 S 8.07 4.26 0.00 4.00 4.06 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 0.00 0.00 0.00 87 A 7.35 4.27 0.26 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 88 G 8.11 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 89 G 7.87 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 90 Q 8.79 4.11 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.33 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 *92 S 9.14 4.55 0.00 4.10 4.10 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 93 D 8.09 4.49 0.00 2.85 2.88 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 94 V 7.77 4.43 2.33 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 0.96 0.00 0.00 0.96 0.00 0.00 95 I 8.54 4.40 1.91 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 1.29 0.82 1.01 0.00 0.00 96 K 7.97 5.02 0.00 1.80 1.68 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 97 L 8.94 5.19 0.00 1.63 1.59 0.97 0.81 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 98 V 8.77 4.42 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 0.43 0.00 0.00 0.93 0.00 0.00 99 Q 8.97 4.89 0.00 2.11 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 100 Y 9.18 5.27 0.00 2.88 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 0.00 101 F 9.10 5.25 0.00 3.01 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 0.00 102 R 8.79 4.24 0.00 1.82 2.06 0.00 3.15 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 103 N 8.27 4.94 0.00 2.69 2.57 0.00 0.00 7.24 6.66 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 0.00 104 L 9.51 3.98 0.00 1.57 1.52 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.52 4.67 0.00 2.72 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 0.00 106 H 8.77 4.87 0.00 3.68 3.69 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.47 4.13 0.00 2.65 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 P 0.00 4.09 0.00 1.84 1.94 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 109 Y 7.73 4.12 0.00 3.40 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 0.00 110 Y 8.05 4.17 0.00 3.44 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.07 3.66 0.00 3.05 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.57 3.82 0.00 1.84 2.20 0.00 3.46 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 113 V 7.70 3.87 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 1.33 0.00 0.00 1.17 0.00 0.00 114 R 7.91 3.98 0.00 1.27 1.63 0.00 3.11 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 115 K 8.09 4.02 0.00 2.09 1.97 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.52 7.81 116 L 7.80 4.07 0.00 2.00 1.56 1.00 0.79 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 0.00 117 F 8.42 4.46 0.00 2.98 2.80 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 0.00 118 Y 7.66 4.77 0.00 2.96 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 0.00 119 P 0.00 4.67 0.00 2.19 2.18 0.00 3.38 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 120 D 8.25 4.19 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 4.58 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 122 P 0.00 4.24 0.00 2.09 1.99 0.00 3.81 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 1.95 1.94 0.00 123 P 0.00 4.61 0.00 2.04 2.20 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 124 V 8.11 3.67 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 0.94 0.00 0.00 0.91 0.00 0.00 125 S 8.54 5.10 0.00 4.00 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 0.00 126 T 8.80 4.67 4.15 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 127 V 8.29 4.86 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 0.55 0.00 0.00 1.00 0.00 0.00 128 V 8.46 4.57 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 0.63 0.00 0.00 0.98 0.00 0.00 129 Q 8.66 5.03 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 130 V 8.50 4.58 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 0.96 0.00 0.00 1.11 0.00 0.00 131 S 8.79 4.39 0.00 3.86 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 0.00 132 E 7.39 4.42 0.00 1.88 1.82 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 2.21 2.33 0.00 *134 L 8.21 4.09 0.00 1.62 1.61 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.66 0.00 2.14 2.12 0.00 3.77 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 1.88 1.90 0.00 136 D 7.21 4.42 0.00 2.86 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 0.00 137 A 8.51 4.23 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 0.00 138 T 9.49 4.09 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 1.24 0.00 0.00 139 V 7.34 3.77 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 0.74 0.00 0.00 0.96 0.00 0.00 140 L 9.79 4.59 0.00 1.63 1.70 0.82 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.40 4.64 1.48 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.22 0.84 0.00 0.00 142 E 9.26 4.89 0.00 2.00 1.76 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 0.00 2.33 2.43 0.00 143 V 8.51 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 0.93 0.00 0.00 0.86 0.00 0.00 144 E 9.54 5.00 0.00 2.21 1.91 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 2.33 2.35 0.00 145 A 8.69 5.30 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 0.00 146 T 8.81 4.87 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 1.15 0.00 0.00 147 V 9.31 4.76 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 0.91 0.00 0.00 0.91 0.00 0.00 148 W 9.24 4.59 0.00 3.14 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 0.00 149 L 8.41 4.14 0.00 1.39 1.30 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.03 0.00 1.66 1.52 0.00 3.05 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.