NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4665 8.1076 122.4618 50.6939 21.2575 175.9084 3 Q 4.7316 7.5059 114.6073 56.1023 30.2496 170.9337 4 K 4.5585 8.9271 120.4651 55.1497 37.0468 176.0670 5 T 5.0102 7.9917 121.0257 61.9391 71.4678 173.1519 6 F 5.1134 9.4748 122.9917 56.1410 44.5376 173.3708 7 T 5.0829 8.5775 109.1886 59.9179 71.1859 173.9436 8 V 3.9253 8.6875 120.9044 61.8134 31.9466 176.7554 9 T 4.2400 9.3923 121.1358 62.8702 69.0453 175.1638 10 A 4.0135 7.3831 121.9646 52.6121 18.7229 178.2078 11 D 4.3836 8.7428 122.8113 57.1337 41.0996 177.5583 12 S 4.3670 8.0807 112.5404 57.7590 63.6590 175.8696 13 G 3.8347 7.6058 109.7824 45.4784 0.0000 174.3842 14 I 4.0418 7.6733 118.4108 60.2423 35.5839 174.3611 15 H 4.6529 7.9446 120.4200 54.3056 33.7668 173.9006 16 A 3.5333 8.5536 121.1012 53.0473 17.6228 177.3443 17 R 3.9186 8.7730 110.0431 59.8155 30.0342 176.9691 18 P 4.4150 0.0000 0.0000 64.8632 31.3786 178.1224 19 A 4.1092 8.3532 120.1527 54.7305 18.8356 179.6147 20 T 3.9234 7.6657 113.8108 66.7665 68.5685 177.0978 21 T 3.8926 8.3378 118.5209 66.4744 68.4060 176.6896 22 L 3.9887 7.6885 122.3310 57.6413 42.0112 179.3356 23 V 3.7868 7.6158 119.5157 65.3635 31.3554 177.3852 24 Q 3.9351 7.9198 117.7886 59.3747 29.0584 178.3461 25 A 4.1468 8.0914 120.9841 55.4128 18.3814 179.4943 26 A 4.2009 7.8982 118.8219 55.5063 18.2108 179.9545 27 S 4.2326 8.1335 112.6340 61.0486 62.8424 175.4522 28 K 4.1768 7.6172 119.3925 56.4528 31.4557 175.8933 29 F 4.9204 7.6380 118.1458 55.9394 42.1578 174.3976 30 D 4.6987 9.1755 119.8922 56.2203 41.7758 177.4672 31 S 4.4110 8.1590 113.8777 59.2139 64.1492 174.0180 32 D 4.8193 9.0762 120.7707 53.2036 42.1538 175.8053 33 I 5.4495 8.0754 124.8096 59.5078 39.1310 174.9584 34 N 5.6092 8.4326 120.8169 51.5185 43.5776 172.7725 35 L 4.7848 9.0691 122.1612 53.3266 45.2268 174.4547 36 E 5.1334 8.8923 127.4361 54.5322 31.8467 174.4097 37 F 5.1320 9.5570 129.2960 57.6280 43.3404 173.5331 38 N 3.8637 9.6721 123.4826 54.3248 37.1711 174.1195 39 G 3.8611 8.2484 101.1844 44.9828 0.0000 173.8816 40 K 4.6533 8.3475 118.8693 54.5027 35.7346 175.3562 41 T 5.7477 8.6090 120.8982 61.2726 71.0519 173.6160 42 V 4.5359 8.1009 123.8726 60.8749 36.2534 173.4459 43 N 5.3314 8.6277 122.1493 52.2584 38.6806 174.5753 44 L 4.0573 8.8665 129.0155 55.9373 42.8331 177.2156 45 K 4.5102 7.7993 119.4702 56.1161 31.1538 175.9586 *47 I 4.2373 7.4122 123.8682 61.7563 39.8842 178.6669 48 M 4.1443 8.1441 119.2737 58.3773 31.5423 178.7551 49 G 3.6299 7.9944 103.8540 48.0024 0.0000 175.1963 50 V 3.7310 7.7536 120.9496 65.7155 31.2158 177.5112 51 M 4.2950 8.5070 117.7497 56.9136 31.7881 177.9466 52 S 4.1642 7.8453 113.3073 59.7377 63.6509 174.9780 53 L 4.2189 7.6416 121.0372 55.1973 42.3540 176.8584 54 G 3.9331 7.2635 105.8502 46.4828 0.0000 173.1695 55 I 3.3187 6.8740 119.3015 60.2340 37.5436 176.6204 56 Q 4.6608 8.1276 124.3242 54.5670 29.9388 175.0945 57 K 4.0857 8.2075 119.4157 57.6668 32.5898 176.9054 58 G 3.9441 8.9812 114.4810 45.0173 0.0000 173.5754 59 A 4.5359 7.4871 120.6756 52.0393 20.0260 176.2702 60 T 5.2702 8.5914 109.6230 59.9797 70.6757 173.7476 61 I 5.0735 8.7717 118.8001 59.4089 41.9006 174.8689 62 T 5.1783 8.7955 119.1675 61.8616 72.0258 173.0656 63 I 4.7390 8.6779 121.6929 60.3670 39.1548 175.2704 64 S 5.3109 9.1688 120.8426 56.4287 66.2434 172.7883 65 A 5.0747 8.7268 122.4118 50.4796 22.0853 175.8730 66 E 4.5148 9.0009 120.7716 55.8241 33.0132 174.8649 67 G 3.9855 7.9908 111.4024 46.3858 0.0000 171.4823 68 S 4.5404 9.0831 113.6751 59.8626 63.5413 173.6902 69 D 4.9221 7.8074 122.1810 51.9079 39.1738 177.3433 70 E 3.7465 8.0918 118.8193 61.2259 29.3747 178.0874 71 A 3.9828 7.9485 119.7710 55.7001 18.4640 179.4564 72 D 4.2518 7.9716 116.3833 57.3809 40.9789 178.5206 73 A 2.0000 7.4918 121.1710 54.3567 18.4113 179.2565 74 L 3.8003 7.9842 118.7666 58.3592 42.0599 179.2037 75 A 4.0320 8.2365 120.5623 54.9748 18.4174 179.5050 76 A 4.0677 8.2728 119.6334 55.2637 18.4095 179.9048 77 L 4.0224 8.3204 118.0477 57.8608 41.3321 179.4844 78 E 4.0560 8.2353 118.4027 59.2606 29.2630 178.8247 79 D 4.3835 7.9493 117.9336 57.4495 41.2083 178.4468 80 T 3.8922 7.9381 116.4799 66.3435 68.3437 176.3080 81 M 3.7980 8.4893 121.0038 58.8121 32.1993 178.3937 82 S 4.2012 7.7541 113.4140 60.8002 63.3412 176.1780 83 K 3.9793 8.2026 122.7747 58.7345 31.9947 177.5950 84 E 4.4698 8.2914 116.4080 55.1377 28.8806 176.4471 85 G 3.9687 7.8856 107.4871 46.4444 0.0000 176.2856 86 L 3.8797 8.4505 122.2201 55.7486 41.7168 177.4965 87 G 4.3099 7.4320 102.6310 46.3600 0.0000 172.3452 88 E 4.9697 8.0015 116.2398 57.2545 28.9873 175.7334 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 A 8.11 4.47 1.34 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 0.00 0.00 0.00 3 Q 7.51 4.73 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.38 0.00 4 K 8.93 4.56 0.00 1.79 1.59 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.02 0.42 7.81 5 T 7.99 5.01 4.11 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 1.24 0.00 0.00 6 F 9.47 5.11 0.00 2.89 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 7 T 8.58 5.08 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 1.25 0.00 0.00 8 V 8.69 3.93 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 0.60 0.00 0.00 1.08 0.00 0.00 9 T 9.39 4.24 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 1.29 0.00 0.00 10 A 7.38 4.01 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 11 D 8.74 4.38 0.00 2.66 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 12 S 8.08 4.37 0.00 3.85 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 13 G 7.61 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.67 4.04 1.65 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 0.79 0.00 0.00 15 H 7.94 4.65 0.00 3.07 3.15 0.00 5.85 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 16 A 8.55 3.53 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 17 R 8.77 3.92 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 18 P 0.00 4.41 0.00 2.12 2.07 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 19 A 8.35 4.11 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 20 T 7.67 3.92 4.36 0.00 0.00 0.00 0.00 0.00 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 21 T 8.34 3.89 4.37 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 1.22 0.00 0.00 22 L 7.69 3.99 0.00 1.77 1.61 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.62 3.79 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 1.17 0.00 0.00 1.00 0.00 0.00 24 Q 7.92 3.94 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 25 A 8.09 4.15 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 26 A 7.90 4.20 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.23 0.00 4.04 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 28 K 7.62 4.18 0.00 1.59 1.47 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 29 F 7.64 4.92 0.00 3.14 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 30 D 9.18 4.70 0.00 2.98 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 31 S 8.16 4.41 0.00 3.74 3.97 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 32 D 9.08 4.82 0.00 2.76 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 33 I 8.08 5.45 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.97 0.00 0.00 34 N 8.43 5.61 0.00 2.58 2.75 0.00 0.00 6.08 6.62 0.00 0.00 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 9.07 4.78 0.00 1.69 1.50 0.95 0.89 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 36 E 8.89 5.13 0.00 2.18 1.90 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 2.24 2.39 0.00 37 F 9.56 5.13 0.00 2.99 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 38 N 9.67 3.86 0.00 1.44 2.05 0.00 0.00 7.29 7.98 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 39 G 8.25 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 0.00 0.00 0.00 40 K 8.35 4.65 0.00 1.78 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.29 7.81 41 T 8.61 5.75 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 1.28 0.00 0.00 42 V 8.10 4.54 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 0.96 0.00 0.00 0.98 0.00 0.00 43 N 8.63 5.33 0.00 2.77 2.74 0.00 0.00 7.29 7.78 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 44 L 8.87 4.06 0.00 1.77 1.65 0.93 0.38 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 45 K 7.80 4.51 0.00 1.94 1.77 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.31 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 *47 I 7.41 4.24 1.87 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 0.97 0.91 0.00 0.00 48 M 8.14 4.14 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 49 G 7.99 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.75 3.73 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 1.00 0.00 0.00 0.95 0.00 0.00 51 M 8.51 4.30 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 52 S 7.85 4.16 0.00 4.06 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 0.00 53 L 7.64 4.22 0.00 1.81 1.86 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.26 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 0.00 0.00 0.00 55 I 6.87 3.32 1.52 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.05 0.48 0.00 0.00 56 Q 8.13 4.66 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.10 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 57 K 8.21 4.09 0.00 1.91 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.43 1.62 7.81 58 G 8.98 3.94 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 0.00 0.00 0.00 59 A 7.49 4.54 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 60 T 8.59 5.27 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 1.26 0.00 0.00 61 I 8.77 5.07 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.92 0.00 0.00 62 T 8.80 5.18 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 1.30 0.00 0.00 63 I 8.68 4.74 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.82 0.92 0.00 0.00 64 S 9.17 5.31 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.73 5.07 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 0.00 0.00 0.00 0.00 0.00 66 E 9.00 4.51 0.00 1.85 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 2.21 2.39 0.00 67 G 7.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.08 4.54 0.00 4.01 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 69 D 7.81 4.92 0.00 2.91 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 70 E 8.09 3.75 0.00 2.00 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 2.43 2.61 0.00 71 A 7.95 3.98 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 72 D 7.97 4.25 0.00 2.96 2.98 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 73 A 7.49 2.00 0.58 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 0.00 0.00 0.00 0.00 0.00 74 L 7.98 3.80 0.00 1.66 1.62 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.24 4.03 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 76 A 8.27 4.07 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 0.00 0.00 0.00 0.00 0.00 77 L 8.32 4.02 0.00 1.66 1.67 0.87 0.87 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 78 E 8.24 4.06 0.00 2.32 2.15 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 2.85 2.77 0.00 79 D 7.95 4.38 0.00 2.91 2.84 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 80 T 7.94 3.89 4.35 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 1.19 0.00 0.00 81 M 8.49 3.80 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.20 0.00 82 S 7.75 4.20 0.00 4.11 4.13 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 83 K 8.20 3.98 0.00 1.99 1.98 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.52 7.81 84 E 8.29 4.47 0.00 2.00 1.92 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 2.39 2.42 0.00 85 G 7.89 3.97 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 0.00 86 L 8.45 3.88 0.00 1.72 1.61 0.82 1.14 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 87 G 7.43 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 88 E 8.00 4.97 0.00 2.20 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 2.21 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.