NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6193 8.1476 118.3352 55.3916 33.3042 173.9502 2 V 4.2706 8.3032 117.8013 61.2562 33.3964 173.6172 3 K 4.9709 9.9002 121.3401 54.6665 37.8921 176.1872 4 I 5.0629 8.1517 120.4302 60.5223 40.9294 174.9839 5 R 4.7704 9.1221 123.2248 55.0637 33.6267 173.5846 6 L 4.8933 8.4440 119.0935 53.8052 42.9177 176.5752 7 A 4.5163 8.6387 125.9352 49.7346 20.4725 175.7818 8 R 3.5461 8.2083 121.4704 58.3661 30.8245 175.8504 9 F 4.5543 8.1924 118.3958 58.3602 43.3659 174.6023 10 G 3.7913 9.0648 108.8609 46.7693 0.0000 170.7108 11 S 4.9544 7.5752 117.0153 56.4845 66.0629 173.0858 12 K 4.0128 8.3786 121.3576 58.1989 32.4785 177.8905 13 H 4.2515 8.8764 120.4619 56.5246 26.8331 174.5714 14 N 5.0513 7.5959 116.8391 50.9693 38.4911 171.8223 15 P 4.3168 0.0000 0.0000 63.5233 32.8028 177.2095 16 H 4.7373 8.0317 118.7949 55.5382 31.5552 172.3743 17 Y 4.8526 9.0750 121.4928 57.2431 40.3030 174.4336 18 R 5.2251 8.6340 121.2658 54.4681 33.3252 174.8178 19 I 4.3684 8.9550 128.6945 61.8225 38.2532 175.6437 20 V 4.9059 8.8833 125.0770 60.3855 35.4830 174.2605 21 V 4.9692 8.6673 122.3805 59.2600 32.1341 174.0945 22 T 4.7325 7.7801 123.8860 60.6605 71.6663 170.5130 23 D 4.5948 8.4963 120.6423 53.1923 42.0783 177.6442 24 A 3.9629 8.5771 129.8109 55.6334 18.7431 178.9517 25 R 4.0174 8.7233 114.3259 59.2308 30.2288 177.7682 26 R 4.0682 7.7035 115.6968 55.8360 30.8451 176.3338 27 K 4.2104 8.2367 118.1167 56.1592 33.3258 177.2934 28 R 3.7472 8.3238 119.0188 60.1085 30.1428 177.5294 29 D 4.5170 7.5719 117.0863 54.1291 41.5656 177.0563 30 G 3.8771 7.5875 112.2854 45.4029 0.0000 174.7447 31 K 4.2505 8.1969 118.0408 54.1168 29.9057 175.8866 32 Y 4.4114 7.6004 120.6699 56.0270 38.6022 178.4445 33 I 4.0147 7.9969 123.6849 64.4081 37.7543 175.7407 34 E 4.5028 7.1797 120.2627 55.3992 33.7465 174.7459 35 K 4.8271 8.3677 125.2005 54.6089 34.0620 175.6455 36 I 4.5006 9.6016 117.8634 59.7581 39.5426 175.6870 37 G 3.8094 7.0421 110.3978 46.0554 0.0000 169.6185 38 Y 5.3445 6.6644 116.4226 56.4752 42.2373 173.4022 39 Y 5.6053 8.9164 114.9632 58.1953 43.1697 172.5521 40 D 4.6746 8.6128 128.4233 51.9624 42.0443 175.0222 41 P 3.9882 0.0000 0.0000 63.5446 31.3474 176.8563 42 R 4.2095 7.2626 116.4112 54.9075 31.5479 176.1569 43 K 3.6417 7.5028 116.1576 57.0923 29.9902 177.4577 44 T 3.8480 7.4159 110.5454 64.1735 68.5264 173.8050 45 T 4.6098 7.2597 115.9654 59.3615 68.7142 172.8517 46 P 4.5915 0.0000 0.0000 65.0368 31.8514 176.3784 47 D 4.8245 7.6825 119.5954 52.2918 40.3393 175.1640 48 W 4.9873 7.2780 116.8184 55.0728 30.0608 177.9471 49 L 4.7918 7.0023 117.5423 55.1358 41.1692 174.7691 50 K 3.9025 7.4446 121.1961 56.5650 33.8607 177.1082 51 V 4.3551 7.9437 124.4060 61.6361 32.0312 171.8049 52 D 4.3823 8.2781 122.5449 53.0786 40.6946 177.7701 53 V 3.6228 8.4466 119.9524 64.1943 31.5407 177.4915 54 E 3.9381 8.1931 116.3087 59.7735 29.6034 179.1791 55 R 3.9940 7.8850 116.8614 59.5446 28.7352 178.7004 56 A 4.1957 7.8434 120.0770 55.7869 18.1426 179.8897 57 R 4.0964 7.9995 115.8540 59.6395 30.0708 178.1465 58 Y 3.8744 8.0874 119.4324 60.4067 38.5567 178.0419 59 W 5.0560 7.6240 118.4866 59.3421 29.5013 177.5149 60 L 4.5055 7.7897 118.7273 56.1170 41.5682 178.8234 61 S 4.0393 8.2846 114.2432 61.1219 62.9886 176.3288 62 V 4.0828 7.5707 113.8781 60.4808 31.8034 176.4448 63 G 3.8470 8.8251 106.2296 46.5141 0.0000 173.6030 64 A 4.6749 7.9739 124.4764 50.5645 20.6252 174.4029 65 Q 4.1541 8.5256 119.9312 56.3214 29.8970 174.0649 66 P 5.1352 0.0000 0.0000 61.1915 33.7008 175.6028 67 T 4.0669 8.3713 117.9114 63.7002 68.3775 175.3342 68 D 4.2789 8.6727 122.9655 57.6886 40.9318 178.3971 69 T 3.8458 7.7222 110.3601 62.7767 67.8551 175.3976 70 A 4.2377 7.6161 122.7180 54.9944 19.1235 179.2283 71 R 3.8783 8.2963 114.4889 58.6238 29.5540 178.8350 72 R 3.7289 7.2737 120.6056 59.5205 29.9727 178.0176 73 L 4.1838 7.6034 115.7841 56.1753 42.1238 178.1987 74 L 4.4476 7.2169 119.2408 56.4169 42.2944 178.7922 75 R 3.7394 7.9447 119.4492 59.3650 30.0478 177.7318 76 Q 4.2023 8.1480 115.0818 57.0884 28.7901 175.7581 77 A 4.4432 7.6814 118.0091 51.6398 20.2394 175.0816 78 G 3.8154 8.7585 108.2678 45.4529 0.0000 173.2015 79 V 4.4093 8.0412 120.9465 63.1131 34.4758 175.9934 80 F 4.4505 8.7025 115.7799 57.7618 39.4528 175.7260 81 R 4.3598 7.8525 121.3489 55.7857 30.6023 175.6100 82 Q 4.4493 8.1367 118.8651 54.5512 30.1263 175.4456 83 E 3.7808 8.3001 121.1431 57.6337 28.2326 174.0806 *84 A 4.1104 7.8030 123.5736 52.4223 18.9361 176.1927 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 M 8.15 4.62 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 V 8.30 4.27 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 0.75 0.00 0.00 0.77 0.00 0.00 3 K 9.90 4.97 0.00 1.60 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.24 7.81 4 I 8.15 5.06 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.98 0.00 0.00 5 R 9.12 4.77 0.00 1.82 2.00 0.00 2.76 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 6 L 8.44 4.89 0.00 1.53 1.95 0.82 0.23 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 7 A 8.64 4.52 1.09 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 0.00 0.00 8 R 8.21 3.55 0.00 1.07 1.52 0.00 3.11 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.00 9 F 8.19 4.55 0.00 3.20 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 10 G 9.06 3.79 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 0.00 0.00 0.00 11 S 7.58 4.95 0.00 3.85 3.79 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 12 K 8.38 4.01 0.00 1.74 1.62 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.31 7.81 13 H 8.88 4.25 0.00 3.36 3.37 0.00 5.69 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 14 N 7.60 5.05 0.00 2.74 2.66 0.00 0.00 7.17 8.90 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 15 P 0.00 4.32 0.00 2.21 2.17 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 16 H 8.03 4.74 0.00 3.11 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.07 4.85 0.00 3.28 3.07 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 18 R 8.63 5.23 0.00 2.40 2.16 0.00 3.81 0.00 0.00 3.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 19 I 8.96 4.37 2.09 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 1.50 1.17 0.95 0.00 0.00 20 V 8.88 4.91 2.51 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 1.24 0.00 0.00 1.07 0.00 0.00 21 V 8.67 4.97 1.58 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 0.54 0.00 0.00 -0.44 0.00 0.00 22 T 7.78 4.73 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 1.20 0.00 0.00 23 D 8.50 4.59 0.00 2.74 2.50 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 0.00 0.00 0.00 24 A 8.58 3.96 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.72 4.02 0.00 1.87 2.00 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 26 R 7.70 4.07 0.00 1.92 1.87 0.00 3.16 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 27 K 8.24 4.21 0.00 1.87 1.91 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.33 7.81 28 R 8.32 3.75 0.00 1.76 1.94 0.00 3.27 0.00 0.00 3.24 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 29 D 7.57 4.52 0.00 2.58 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 30 G 7.59 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 0.00 0.00 0.00 31 K 8.20 4.25 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 32 Y 7.60 4.41 0.00 3.02 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 33 I 8.00 4.01 1.64 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 1.11 0.61 0.87 0.00 0.00 34 E 7.18 4.50 0.00 2.16 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 35 K 8.37 4.83 0.00 1.22 1.44 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.65 7.81 36 I 9.60 4.50 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 1.02 0.00 0.00 37 G 7.04 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 0.00 0.00 0.00 38 Y 6.66 5.34 0.00 3.19 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 39 Y 8.92 5.61 0.00 3.25 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 40 D 8.61 4.67 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.99 0.00 2.21 2.26 0.00 3.31 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 42 R 7.26 4.21 0.00 1.61 1.85 0.00 3.27 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 43 K 7.50 3.64 0.00 1.66 1.44 0.00 0.97 0.00 0.00 1.19 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 7.42 3.85 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 1.19 0.00 0.00 45 T 7.26 4.61 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 1.37 0.00 0.00 46 P 0.00 4.59 0.00 2.28 2.24 0.00 3.83 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 2.04 2.03 0.00 47 D 7.68 4.82 0.00 2.67 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 48 W 7.28 4.99 0.00 3.63 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 49 L 7.00 4.79 0.00 1.49 0.99 1.22 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.44 3.90 0.00 1.55 0.84 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.32 7.81 51 V 7.94 4.36 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 0.81 0.00 0.00 1.00 0.00 0.00 52 D 8.28 4.38 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 3.62 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 1.07 0.00 0.00 0.92 0.00 0.00 54 E 8.19 3.94 0.00 1.92 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 2.31 2.36 0.00 55 R 7.89 3.99 0.00 2.01 2.06 0.00 3.24 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 56 A 7.84 4.20 1.45 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 57 R 8.00 4.10 0.00 2.06 1.95 0.00 3.10 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 58 Y 8.09 3.87 0.00 2.81 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 59 W 7.62 5.06 0.00 3.38 3.28 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 60 L 7.79 4.51 0.00 1.72 1.63 0.72 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.28 4.04 0.00 3.76 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 62 V 7.57 4.08 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 0.49 0.00 0.00 1.27 0.00 0.00 63 G 8.83 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 0.00 0.00 0.00 64 A 7.97 4.67 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 65 Q 8.53 4.15 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 66 P 0.00 5.14 0.00 2.13 2.10 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 67 T 8.37 4.07 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 1.19 0.00 0.00 68 D 8.67 4.28 0.00 2.67 2.69 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 0.00 0.00 0.00 0.00 69 T 7.72 3.85 4.14 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 0.00 0.00 0.00 1.13 0.00 0.00 70 A 7.62 4.24 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 71 R 8.30 3.88 0.00 2.00 2.27 0.00 2.79 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.48 0.00 72 R 7.27 3.73 0.00 2.00 2.03 0.00 3.04 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 73 L 7.60 4.18 0.00 1.54 1.64 -0.19 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.22 4.45 0.00 2.09 2.12 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.94 3.74 0.00 1.09 1.74 0.00 2.93 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.00 76 Q 8.15 4.20 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 77 A 7.68 4.44 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 78 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 79 V 8.04 4.41 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 0.80 0.00 0.00 1.13 0.00 0.00 80 F 8.70 4.45 0.00 2.93 3.12 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 0.00 0.00 0.00 81 R 7.85 4.36 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.58 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 82 Q 8.14 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.99 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 83 E 8.30 3.78 0.00 2.14 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 0.00 2.22 2.23 0.00 *84 A 7.80 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.