NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1694 8.2649 123.5844 51.0890 20.9671 173.3908 2 K 3.5414 7.9973 120.5500 55.0365 32.3441 174.3837 3 Q 3.9103 8.5783 125.8044 59.7674 30.0406 177.3297 4 S 3.9793 8.2496 113.8236 62.4673 62.3681 175.8770 5 M 3.9535 7.9806 123.1230 57.7036 32.0734 178.5064 6 K 4.0351 8.0484 117.9383 59.6768 32.3032 179.1889 7 A 4.0041 7.9798 120.7722 55.0403 17.9834 179.5184 8 R 3.8570 8.0148 116.7783 59.8739 30.1648 178.7351 9 E 4.0676 8.0718 118.6828 58.8204 29.4580 178.6373 10 V 3.5660 7.7338 118.6282 66.3260 31.3750 177.5853 11 K 3.7994 7.4790 117.6597 60.0566 31.9596 178.9961 12 R 3.7902 7.9769 117.0804 59.5777 29.0741 178.9118 13 V 3.5633 7.8176 117.5158 65.7856 31.3796 177.7032 14 A 4.0415 7.7249 119.8695 54.6264 18.9237 178.9544 15 L 3.6915 8.4135 117.7650 58.2287 41.5285 179.8042 16 A 4.6927 7.6684 120.1128 54.8898 18.5431 178.8112 17 D 4.6234 7.3798 113.9486 54.5620 40.8245 177.5744 18 K 4.0528 8.2497 120.7251 58.4327 31.9679 177.4948 19 Y 4.6495 5.6726 122.1904 61.9619 38.1621 177.3668 20 F 4.5460 8.5583 119.0218 59.6101 39.8883 177.2930 21 A 4.1540 7.6741 123.1780 54.9864 18.0522 178.5861 22 K 4.9957 7.7791 108.0506 54.3094 35.0691 177.5267 23 R 4.3131 8.1472 118.2376 57.2216 30.4141 177.3969 24 A 3.7075 7.1941 117.2475 52.5473 18.4891 178.5716 25 E 4.0103 7.8894 117.7002 58.2848 29.5620 178.4740 26 L 3.9820 7.3796 119.9300 58.9123 40.0382 178.5549 27 K 3.8011 7.7449 118.2117 60.4532 32.6784 178.0220 28 A 4.0943 7.8131 120.3722 52.1071 17.6256 177.1859 29 I 4.2114 6.7010 115.4892 63.2639 39.6023 177.5604 30 I 3.8797 8.1316 123.0632 64.5560 38.0103 178.5658 31 S 4.6561 7.8013 113.5651 59.2731 63.8037 174.9410 32 D 4.3100 8.7479 123.3569 55.2409 39.3613 178.5035 33 V 4.3256 5.4500 121.0049 60.9427 33.3465 173.2660 34 N 4.2355 7.7456 122.5024 53.2326 40.9456 174.5215 35 A 4.3119 8.5844 117.0485 53.1614 18.7043 179.2217 *40 R 4.1517 7.7559 119.9838 56.8848 30.3718 174.9680 41 W 5.0821 8.1952 130.8624 55.0431 34.1415 175.1807 42 N 4.1655 7.4859 122.1398 56.7039 38.9556 176.6859 43 A 3.9242 7.5174 119.6461 55.5760 18.4807 179.2803 44 V 3.4807 8.2800 115.8937 66.4178 31.1316 177.7876 45 L 4.0482 7.7408 119.0119 57.9931 42.1188 178.7253 46 K 4.3225 7.8427 117.3362 58.0342 33.0171 178.0195 47 L 4.0633 8.3373 122.4468 58.0598 43.0205 178.4044 48 Q 4.5517 7.6155 115.4028 56.6210 27.8642 177.8198 49 T 4.6983 7.1385 114.4753 60.4695 69.3938 173.5883 50 L 4.4920 7.3924 129.3650 55.7143 43.0497 174.9272 51 P 4.3424 0.0000 0.0000 63.5975 33.4644 179.4888 52 R 3.5793 8.5704 117.6217 56.8099 29.9267 177.0656 53 D 4.4064 9.2889 121.8561 56.9653 41.9089 178.3143 54 S 4.3073 7.7072 113.8101 59.3771 62.5905 174.0710 55 S 4.9490 7.3150 117.2681 57.1118 63.5386 172.8109 56 P 4.4473 0.0000 0.0000 66.1953 31.4376 178.7653 57 S 4.2522 7.8995 114.3734 58.6795 62.5655 174.8876 58 R 4.4196 7.8145 121.2595 57.2819 32.0534 176.1820 59 Q 4.6470 7.7860 114.5140 55.7591 29.0458 176.2714 60 R 4.3634 9.2677 118.1423 55.4844 29.2682 176.6119 61 N 3.9749 8.4017 113.7382 50.5170 37.9091 173.3414 62 R 4.5432 7.9364 119.8964 56.1151 30.0434 176.0695 63 C 4.2626 7.7943 120.5441 59.5765 31.9944 174.9449 64 R 4.0209 8.7400 127.0282 58.5428 29.9895 177.0649 65 Q 4.2517 7.4949 118.7505 57.8531 29.3921 175.7073 66 T 4.1684 7.8838 106.8006 59.7941 69.7953 175.4973 67 G 4.9807 8.2082 126.3292 45.5419 0.0000 170.3910 68 R 4.1164 7.6129 121.4542 55.8273 29.6893 176.1737 69 P 4.9283 0.0000 0.0000 62.8348 31.5906 176.5450 70 H 4.6462 8.5465 112.2411 56.8986 29.7481 174.7926 71 G 4.0485 9.3770 122.7972 47.1922 0.0000 172.8643 72 F 5.2105 8.5514 127.4138 56.1901 42.3665 174.7130 73 L 4.4328 7.2305 123.7286 53.9235 44.4236 176.3534 74 R 4.7077 9.2659 124.7212 59.2283 30.1384 177.7661 75 K 4.2744 8.0755 115.6353 57.0248 32.8215 176.7277 76 F 4.3609 7.6058 114.5515 56.7825 41.5987 175.8042 77 G 3.6425 9.2774 106.8121 45.6612 0.0000 172.4539 78 L 5.0021 7.1951 117.2452 52.0649 44.9350 176.9245 79 S 5.1947 8.8346 117.1431 57.7519 64.9905 175.9661 80 R 3.7386 8.1802 122.3829 59.6986 29.9079 178.2858 81 I 3.7651 7.8203 120.6743 63.7648 37.1611 178.0594 82 K 3.8223 8.0848 118.6063 59.8747 31.9164 179.2755 83 V 3.6445 7.8962 118.2739 65.9852 31.2350 178.1739 84 R 3.8866 8.2030 118.6769 59.4973 29.7880 178.3451 85 E 3.9662 8.1561 116.4927 59.0497 29.6245 178.8774 86 A 4.1257 8.2778 120.8265 55.0985 18.8255 179.2461 87 A 3.9464 8.1962 119.1336 55.9812 18.0728 179.7196 88 M 4.2464 7.7284 116.2594 57.7486 32.0731 177.9828 89 R 4.5189 8.2014 117.4195 55.2782 29.7955 177.2907 90 G 4.1647 7.6960 105.1099 46.4829 0.0000 176.2967 91 E 4.0319 7.7562 121.4715 58.1171 29.6229 177.4212 92 I 4.3637 6.8874 116.7032 58.5575 38.5712 173.8147 93 P 4.3648 0.0000 0.0000 63.5524 31.9966 176.2362 94 G 4.4071 8.7414 107.3284 46.2241 0.0000 172.7528 95 L 4.7164 7.4928 119.9121 52.6752 44.6270 175.4228 96 K 4.4608 8.3285 123.6100 55.4119 35.2384 174.5808 97 K 3.8215 8.6609 118.0642 56.9787 31.5849 176.6409 98 A 4.4438 8.4471 127.5687 51.6779 19.4327 176.6163 99 S 4.9155 8.4604 113.6252 57.6446 65.4634 175.3615 100 W 4.4976 8.4325 119.2306 57.2874 27.2602 174.0815 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 A 8.26 4.17 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 2 K 8.00 3.54 0.00 2.04 1.82 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.58 3.91 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.25 3.98 0.00 4.08 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 5 M 7.98 3.95 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 6 K 8.05 4.04 0.00 2.12 1.88 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.93 7.81 7 A 7.98 4.00 1.35 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 0.00 0.00 0.00 8 R 8.01 3.86 0.00 2.11 2.01 0.00 3.28 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 9 E 8.07 4.07 0.00 2.02 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 2.31 2.35 0.00 10 V 7.73 3.57 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 0.96 0.00 0.00 0.98 0.00 0.00 11 K 7.48 3.80 0.00 1.91 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.65 7.81 12 R 7.98 3.79 0.00 2.16 1.98 0.00 3.28 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 13 V 7.82 3.56 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 1.01 0.00 0.00 0.97 0.00 0.00 14 A 7.72 4.04 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 L 8.41 3.69 0.00 1.59 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.67 4.69 1.44 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 0.00 0.00 17 D 7.38 4.62 0.00 2.86 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 18 K 8.25 4.05 0.00 1.91 1.41 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.52 7.81 19 Y 5.67 4.65 0.00 3.12 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 20 F 8.56 4.55 0.00 3.23 3.13 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 0.00 0.00 0.00 0.00 21 A 7.67 4.15 1.44 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 0.00 0.00 22 K 7.78 5.00 0.00 1.72 1.78 0.00 1.81 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.43 7.81 23 R 8.15 4.31 0.00 2.04 1.95 0.00 3.13 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 24 A 7.19 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.89 4.01 0.00 1.95 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 2.39 2.31 0.00 26 L 7.38 3.98 0.00 1.96 1.90 0.88 0.44 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 27 K 7.74 3.80 0.00 1.95 1.98 0.00 1.27 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.59 1.36 7.81 28 A 7.81 4.09 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 29 I 6.70 4.21 1.92 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 1.27 0.85 0.88 0.00 0.00 30 I 8.13 3.88 1.89 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 1.26 0.86 0.90 0.00 0.00 31 S 7.80 4.66 0.00 3.87 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 32 D 8.75 4.31 0.00 2.78 2.46 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 0.00 33 V 5.45 4.33 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 0.89 0.00 0.00 0.94 0.00 0.00 34 N 7.75 4.24 0.00 2.82 2.77 0.00 0.00 6.27 7.26 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 35 A 8.58 4.31 1.38 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 0.00 0.00 *40 R 7.76 4.15 0.00 2.05 2.03 0.00 3.21 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 41 W 8.20 5.08 0.00 3.21 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 42 N 7.49 4.17 0.00 2.26 2.22 0.00 0.00 6.90 8.32 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 43 A 7.52 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 44 V 8.28 3.48 2.30 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 1.05 0.00 0.00 1.16 0.00 0.00 45 L 7.74 4.05 0.00 1.68 1.87 0.90 0.73 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 46 K 7.84 4.32 0.00 1.95 1.91 0.00 1.20 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.46 7.81 47 L 8.34 4.06 0.00 1.75 1.93 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.62 4.55 0.00 2.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 49 T 7.14 4.70 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 1.23 0.00 0.00 50 L 7.39 4.49 0.00 1.72 1.74 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.34 0.00 1.78 2.25 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.05 0.00 52 R 8.57 3.58 0.00 2.00 1.56 0.00 3.25 0.00 0.00 3.33 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 53 D 9.29 4.41 0.00 2.75 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 54 S 7.71 4.31 0.00 2.91 3.46 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 0.00 55 S 7.31 4.95 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.45 0.00 2.25 2.36 0.00 3.86 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 2.13 2.06 0.00 57 S 7.90 4.25 0.00 3.90 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 58 R 7.81 4.42 0.00 1.78 1.93 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 59 Q 7.79 4.65 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.15 0.00 0.00 0.00 0.00 0.00 2.52 2.25 0.00 60 R 9.27 4.36 0.00 1.80 1.95 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 61 N 8.40 3.97 0.00 2.52 2.44 0.00 0.00 7.19 7.66 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 62 R 7.94 4.54 0.00 2.04 2.10 0.00 3.28 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 63 C 7.79 4.26 0.00 3.12 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 64 R 8.74 4.02 0.00 1.86 2.00 0.00 3.36 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 65 Q 7.49 4.25 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 66 T 7.88 4.17 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 1.22 0.00 0.00 67 G 8.21 4.98 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 0.00 0.00 0.00 68 R 7.61 4.12 0.00 1.88 1.95 0.00 3.22 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 69 P 0.00 4.93 0.00 2.15 2.10 0.00 3.75 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 1.89 1.95 0.00 70 H 8.55 4.65 0.00 3.16 3.04 0.00 5.73 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 71 G 9.38 4.05 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 0.00 0.00 0.00 72 F 8.55 5.21 0.00 3.18 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 73 L 7.23 4.43 0.00 1.59 1.61 0.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 R 9.27 4.71 0.00 1.90 2.16 0.00 3.30 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 75 K 8.08 4.27 0.00 1.80 2.08 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.32 7.81 76 F 7.61 4.36 0.00 2.88 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 77 G 9.28 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 78 L 7.20 5.00 0.00 1.63 1.56 0.94 1.19 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 79 S 8.83 5.19 0.00 4.08 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 80 R 8.18 3.74 0.00 1.94 2.07 0.00 3.07 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 81 I 7.82 3.77 1.88 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 1.64 0.68 0.91 0.00 0.00 82 K 8.08 3.82 0.00 1.77 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.48 7.81 83 V 7.90 3.64 2.16 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 0.78 0.00 0.00 0.92 0.00 0.00 84 R 8.20 3.89 0.00 1.89 2.05 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 85 E 8.16 3.97 0.00 2.11 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 2.32 2.38 0.00 86 A 8.28 4.13 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 87 A 8.20 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.73 4.25 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 89 R 8.20 4.52 0.00 1.94 1.93 0.00 3.41 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.94 0.00 90 G 7.70 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.76 4.03 0.00 2.00 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 2.47 2.43 0.00 92 I 6.89 4.36 1.94 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.85 0.00 0.00 93 P 0.00 4.36 0.00 2.18 2.13 0.00 3.74 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 1.98 1.89 0.00 94 G 8.74 4.41 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 0.00 0.00 0.00 95 L 7.49 4.72 0.00 1.50 1.58 1.09 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.33 4.46 0.00 1.87 1.78 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.49 7.81 97 K 8.66 3.82 0.00 1.79 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.42 7.81 98 A 8.45 4.44 1.32 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 99 S 8.46 4.92 0.00 3.98 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 0.00 100 W 8.43 4.50 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.