NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.5325 8.3044 120.7106 53.7848 33.6134 175.0567 2 K 4.3841 6.9730 117.7364 53.9937 35.4063 173.4710 3 K 5.0428 9.0250 129.5990 54.5312 35.0014 174.2852 4 A 4.9957 9.4162 128.7506 50.0778 22.3093 174.8973 5 V 4.8027 8.9051 120.5923 61.0701 34.7422 174.7995 6 I 4.2011 8.5765 128.1682 59.7694 39.8380 174.7311 7 N 5.0738 8.7092 126.0419 51.2503 37.6462 175.7769 8 G 4.1178 9.0608 113.9542 48.3043 0.0000 173.1686 9 E 4.1155 8.2208 116.1348 58.2903 29.8144 177.3083 10 Q 4.3503 8.2421 117.5305 55.7180 29.3928 175.4250 11 I 4.0716 7.4353 120.4854 60.8755 37.1086 175.8385 12 R 4.5336 8.7499 124.1707 55.5015 31.2410 175.8373 13 S 5.0591 7.1648 113.6131 57.5458 66.4318 175.8537 14 I 3.8711 8.1926 123.4028 64.3357 37.6756 178.3101 15 S 4.1901 8.1136 119.5154 63.4801 62.1298 180.1856 16 D 4.5793 8.1760 122.7819 56.9961 40.4542 178.7941 17 L 3.8040 7.6552 120.7252 58.4875 42.0721 178.7468 18 H 4.3027 8.3967 116.3566 59.1753 28.6722 177.9289 19 Q 4.0537 8.6773 120.2108 59.0914 28.4741 179.0051 20 T 3.8094 8.3919 117.1922 66.5788 68.5196 176.4921 21 L 3.9027 8.0864 121.1659 57.7052 41.6123 179.3862 22 K 3.4960 8.2038 119.6508 59.2982 31.9150 178.7096 23 K 3.8605 7.7656 119.1394 59.7570 32.0261 178.8132 24 E 3.9982 8.0773 117.3032 58.4410 29.3765 178.3489 25 L 4.4162 7.7029 115.9276 52.8993 43.0272 176.1453 26 A 3.7025 7.5241 120.8271 53.1908 16.3634 177.4914 27 L 3.9451 7.6885 120.6656 52.9869 43.0917 176.1666 28 P 3.7867 0.0000 0.0000 62.3933 31.2283 177.1901 29 E 3.7899 8.2969 120.4978 59.0571 29.6621 177.1953 30 Y 4.3673 7.3346 114.3369 57.3427 38.5369 174.4740 31 Y 4.0973 7.6678 122.5854 57.9311 38.8474 176.9392 32 G 3.3923 8.3244 115.2606 45.4328 0.0000 172.6250 33 E 2.9818 5.9000 118.8619 56.3721 27.3998 173.5303 34 N 4.8487 6.7211 114.1611 50.5133 42.0968 174.3096 35 L 4.0902 8.3798 119.9752 58.0688 41.7050 179.4384 36 D 4.4501 8.1972 118.1704 57.3442 40.7287 178.5565 37 A 4.0701 9.1193 121.7689 55.0290 18.3306 179.4935 38 L 4.0600 8.4804 119.3282 57.9631 42.2390 178.7668 39 W 4.1874 8.4038 128.4062 60.7341 30.6161 177.3416 40 D 4.3333 8.4631 117.5825 57.2843 40.6535 178.1375 41 A 4.0597 8.3483 121.5396 55.2816 18.2111 179.6078 42 L 3.9608 8.3225 116.7881 57.2139 41.7280 178.8191 43 T 4.5242 7.4681 106.7989 61.3632 69.5359 175.2918 44 G 4.3150 8.2007 110.5142 44.7990 0.0000 172.8842 45 W 5.0569 8.3190 128.3744 58.1581 37.5696 174.9608 46 V 3.5217 7.7469 117.2250 63.1575 31.3127 175.0588 47 E 4.1348 8.2216 126.9520 55.7076 30.3949 175.0273 48 Y 4.9441 7.9740 121.6263 55.2137 41.7465 173.6515 49 P 4.9143 0.0000 0.0000 62.7943 33.1047 175.0637 50 L 5.1589 9.0583 123.4523 53.3615 45.5210 175.1713 51 V 4.7063 8.8919 126.2670 61.1242 34.1560 173.6743 52 L 4.8833 9.2900 131.1739 53.3738 44.1280 174.4576 53 E 4.9303 9.2953 128.6911 54.4786 31.6673 174.5010 54 W 4.9695 9.8100 135.0000 55.9652 32.2878 175.0122 55 R 4.8673 9.0346 126.7243 54.5312 32.0432 176.4893 56 Q 3.4561 8.5757 117.3023 56.6226 26.5501 175.6371 57 F 3.8489 8.5394 120.1816 61.4435 39.9640 174.7725 58 E 4.0705 8.2972 118.1174 59.6501 29.4367 178.6122 59 Q 4.0244 8.1137 117.6085 59.0128 28.6151 178.8617 60 S 4.3368 7.8089 113.5243 60.8175 63.5007 176.2092 61 K 4.1830 7.7954 125.9722 58.7296 31.5309 179.8005 62 Q 4.0890 7.8949 117.6285 57.4068 28.3447 182.0545 63 L 4.7386 7.9414 116.1853 54.4762 41.9285 177.2751 64 T 4.5839 7.5225 107.0921 60.3886 70.9976 177.0329 65 E 3.7170 8.4856 123.7901 58.1767 28.1711 175.0305 66 N 4.9002 9.2124 126.6998 54.3038 39.7223 174.1577 67 G 3.6444 8.3902 108.0228 48.3043 0.0000 175.9081 68 A 4.3739 8.0266 122.8012 55.1539 18.3292 179.5062 69 E 4.1537 8.1880 116.5209 59.5871 29.8317 179.3796 70 S 4.2019 8.2397 115.2235 61.7156 63.0837 176.9306 71 V 3.8273 8.5068 121.1026 66.0328 31.2584 177.3948 72 L 4.3816 8.4731 120.1221 58.7578 41.7857 178.5804 73 Q 4.0405 8.4966 119.3088 59.4843 28.7843 178.8154 74 V 3.7817 7.9233 118.6428 66.0685 31.5845 178.0681 75 F 4.2390 8.4907 117.0979 60.7930 38.7832 177.8087 76 R 4.1360 8.6307 117.9455 59.4546 29.8426 179.0535 77 E 4.1383 8.8493 118.4532 59.1796 29.4654 178.9190 78 A 3.9311 8.7549 121.2965 55.2842 18.4027 179.6696 79 K 4.1646 8.9635 119.4520 59.1646 32.0925 178.9364 80 A 4.0888 8.2917 120.4703 54.9505 18.3925 178.6421 81 E 4.1923 8.6417 116.4446 56.9322 29.8499 176.8464 82 G 3.9093 8.0210 105.6979 45.9528 0.0000 174.4454 83 A 3.3923 7.6829 121.8912 52.6159 19.6082 176.8448 84 D 4.7750 7.5858 121.5988 52.6912 40.2479 173.2808 85 I 5.2386 7.7535 120.6311 59.2624 40.5540 174.5948 86 T 4.6570 9.5313 124.4384 61.8781 70.7922 173.4727 87 I 4.8781 8.4194 126.5149 59.5067 39.8992 174.9386 88 I 4.4575 9.0543 127.7986 59.5732 40.0593 174.4156 89 L 5.0125 8.5809 130.0184 53.4858 43.4368 177.7358 *90 S 4.2607 8.8698 119.9863 58.3224 63.0356 169.9593 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 8.30 4.53 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 K 6.97 4.38 0.00 1.71 1.62 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.67 7.81 3 K 9.02 5.04 0.00 1.74 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.45 7.81 4 A 9.42 5.00 1.16 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 5 V 8.91 4.80 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 0.97 0.00 0.00 6 I 8.58 4.20 1.29 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.23 0.45 0.00 0.00 7 N 8.71 5.07 0.00 2.71 3.09 0.00 0.00 6.97 7.61 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 8 G 9.06 4.12 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 0.00 0.00 0.00 9 E 8.22 4.12 0.00 2.15 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 0.00 2.29 2.29 0.00 10 Q 8.24 4.35 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 11 I 7.44 4.07 2.03 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 1.44 0.71 0.95 0.00 0.00 12 R 8.75 4.53 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 13 S 7.16 5.06 0.00 3.99 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 14 I 8.19 3.87 1.90 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 1.57 1.54 0.95 0.00 0.00 15 S 8.11 4.19 0.00 3.77 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 16 D 8.18 4.58 0.00 2.90 2.73 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 17 L 7.66 3.80 0.00 1.66 1.77 0.54 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.40 4.30 0.00 3.28 3.51 0.00 5.67 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 19 Q 8.68 4.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 20 T 8.39 3.81 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 1.10 0.00 0.00 21 L 8.09 3.90 0.00 1.86 1.67 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.20 3.50 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.32 7.81 23 K 7.77 3.86 0.00 1.86 1.88 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.48 7.81 24 E 8.08 4.00 0.00 1.92 1.94 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 2.39 2.56 0.00 25 L 7.70 4.42 0.00 1.71 1.59 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.52 3.70 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 27 L 7.69 3.95 0.00 1.15 0.94 -0.41 0.64 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 28 P 0.00 3.79 0.00 0.49 0.49 0.00 2.71 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 1.16 0.54 0.00 29 E 8.30 3.79 0.00 1.86 1.98 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 2.29 2.36 0.00 30 Y 7.33 4.37 0.00 2.98 3.06 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 31 Y 7.67 4.10 0.00 2.90 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 32 G 8.32 3.39 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 0.00 33 E 5.90 2.98 0.00 1.99 1.84 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 2.13 2.16 0.00 34 N 6.72 4.85 0.00 2.86 2.74 0.00 0.00 6.12 6.67 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 35 L 8.38 4.09 0.00 1.75 1.83 0.98 1.14 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 36 D 8.20 4.45 0.00 2.91 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 37 A 9.12 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.48 4.06 0.00 2.07 2.00 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 W 8.40 4.19 0.00 3.50 3.27 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 40 D 8.46 4.33 0.00 3.01 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 41 A 8.35 4.06 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 42 L 8.32 3.96 0.00 1.42 1.64 0.17 0.73 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 43 T 7.47 4.52 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 -0.12 0.00 0.00 44 G 8.20 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 0.00 0.00 0.00 0.00 45 W 8.32 5.06 0.00 3.35 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 46 V 7.75 3.52 1.98 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 -0.01 0.00 0.00 0.90 0.00 0.00 47 E 8.22 4.13 0.00 1.82 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 0.00 2.20 2.25 0.00 48 Y 7.97 4.94 0.00 2.99 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 49 P 0.00 4.91 0.00 2.13 2.16 0.00 3.57 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 2.14 2.12 0.00 50 L 9.06 5.16 0.00 1.72 1.93 0.93 0.87 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 51 V 8.89 4.71 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 0.90 0.00 0.00 0.96 0.00 0.00 52 L 9.29 4.88 0.00 1.60 1.37 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.30 4.93 0.00 2.05 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 2.25 2.26 0.00 54 W 9.81 4.97 0.00 3.34 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 55 R 9.03 4.87 0.00 2.00 1.90 0.00 3.37 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 56 Q 8.58 3.46 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 57 F 8.54 3.85 0.00 2.73 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 58 E 8.30 4.07 0.00 2.16 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 2.39 2.48 0.00 59 Q 8.11 4.02 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 60 S 7.81 4.34 0.00 4.19 4.23 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 61 K 7.80 4.18 0.00 1.96 1.82 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 0.95 7.81 62 Q 7.89 4.09 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 63 L 7.94 4.74 0.00 1.67 1.75 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.52 4.58 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 1.30 0.00 0.00 65 E 8.49 3.72 0.00 2.41 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 0.00 2.21 1.84 0.00 66 N 9.21 4.90 0.00 2.89 2.79 0.00 0.00 6.78 7.90 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 67 G 8.39 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 68 A 8.03 4.37 1.11 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 0.00 0.00 69 E 8.19 4.15 0.00 2.07 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 0.00 2.52 2.42 0.00 70 S 8.24 4.20 0.00 4.12 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 71 V 8.51 3.83 2.60 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 1.41 0.00 0.00 1.13 0.00 0.00 72 L 8.47 4.38 0.00 1.80 1.96 0.92 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.50 4.04 0.00 2.50 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 74 V 7.92 3.78 2.38 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 1.29 0.00 0.00 1.10 0.00 0.00 75 F 8.49 4.24 0.00 3.52 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 76 R 8.63 4.14 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 77 E 8.85 4.14 0.00 2.37 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 0.00 2.38 2.58 0.00 78 A 8.75 3.93 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 79 K 8.96 4.16 0.00 2.04 2.08 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 80 A 8.29 4.09 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 81 E 8.64 4.19 0.00 2.38 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 0.00 2.44 2.45 0.00 82 G 8.02 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 83 A 7.68 3.39 0.92 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 84 D 7.59 4.77 0.00 2.60 2.47 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 85 I 7.75 5.24 2.01 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.92 1.15 0.00 0.00 86 T 9.53 4.66 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 1.23 0.00 0.00 87 I 8.42 4.88 1.87 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 1.34 0.65 0.89 0.00 0.00 88 I 9.05 4.46 1.90 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 1.23 1.09 0.92 0.00 0.00 89 L 8.58 5.01 0.00 1.36 1.35 0.58 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *90 S 8.87 4.26 0.00 3.78 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 * Residues marked with a * may have inaccurate shift predictions.