NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3144 8.2644 123.5808 52.4625 19.7899 175.9812 2 S 4.2959 8.1818 109.9171 56.7617 64.8080 172.7297 3 A 3.6076 8.7271 127.0329 51.4382 16.0723 178.5789 4 A 5.7133 7.9739 132.9596 51.8197 22.0419 178.4640 5 K 4.5284 6.8674 117.2707 56.5995 31.6637 176.1711 6 G 3.7851 8.9326 118.7122 47.7307 0.0000 176.8139 7 D 3.3700 8.4490 114.8312 52.0293 43.6745 174.7167 8 H 3.9717 9.2162 117.8459 56.9467 28.2121 176.3489 9 G 3.5610 8.6603 107.4240 46.0764 0.0000 173.8915 10 G 3.7188 6.8594 105.8827 45.7466 0.0000 170.4912 *12 G 3.8690 7.5882 106.6523 45.3240 0.0000 172.7666 13 A 4.1345 8.7153 119.3969 55.4658 18.2767 179.9825 14 R 3.9290 8.0596 116.6213 59.8560 30.1423 178.7861 15 T 3.9462 7.8746 115.1297 66.5051 68.5863 176.7039 16 W 4.0258 8.3020 120.7534 59.3423 29.0031 178.7284 17 R 3.8529 8.3596 119.2157 59.1367 29.4567 178.1323 18 F 4.3794 8.3744 120.5523 61.6109 39.3081 177.1879 19 L 3.9027 8.1835 118.5963 57.8050 41.2329 179.6530 20 T 3.7813 7.9199 115.7492 66.7438 68.2128 176.5286 21 F 4.8378 8.0897 117.6317 59.2624 39.3100 177.5569 22 G 4.1213 8.5790 103.9906 45.0006 0.0000 173.4549 23 L 4.5129 7.6602 119.7967 56.2589 44.2600 177.8606 24 A 3.9736 8.2868 120.2798 55.3868 18.2409 179.5975 25 L 4.0187 8.4144 117.3380 57.4760 41.7805 178.1305 26 P 4.2867 0.0000 0.0000 65.5916 31.2904 178.8192 27 S 4.1384 8.1066 114.1482 61.6058 62.7395 176.9159 28 V 3.5938 7.8586 120.6897 65.8480 31.3013 177.9769 29 A 4.0534 8.2968 120.9491 54.9458 18.1973 179.7080 30 L 3.9009 8.0406 117.4924 58.3315 41.7510 179.6099 31 C 4.3076 8.1411 116.4192 62.9349 27.9625 176.3575 32 T 3.6780 7.9146 117.6727 65.9894 67.7578 176.7162 33 L 3.9522 7.5235 121.5927 58.1040 42.5337 177.9471 34 N 4.2868 8.4511 117.2989 56.9735 38.6238 176.9424 35 S 3.8585 7.6911 114.7996 60.7674 63.6865 176.1489 36 W 5.2851 7.6552 120.9739 55.6478 28.1636 175.8355 37 L 4.7830 7.4333 121.3619 57.2230 48.1544 176.1559 38 H 4.7936 8.1910 112.5423 56.1029 29.8068 176.8393 39 S 4.7040 7.3176 118.8002 56.0968 62.0494 173.8531 40 G 3.8480 9.2617 115.7457 44.5086 0.0000 172.4804 41 H 4.2979 8.7725 122.0185 55.9989 28.9977 175.3731 42 R 4.1165 8.4836 121.7436 55.0650 30.2940 175.7158 43 E 3.8742 8.8026 122.1360 56.1459 29.6823 176.7077 44 R 4.0207 8.5344 123.5541 55.6549 29.8133 174.9146 45 P 4.4628 0.0000 0.0000 62.0468 32.1492 175.9313 46 A 4.2199 8.4108 122.4257 52.4072 18.8850 177.2070 47 F 4.5454 8.8786 123.6163 57.7457 40.2768 175.0814 48 I 3.9948 6.9992 127.1480 58.7820 40.3999 175.0845 49 P 4.1663 0.0000 0.0000 61.8694 29.3665 176.6697 50 Y 4.1914 7.0220 116.9851 58.6959 38.7765 178.0391 51 H 4.4032 8.9344 120.5175 57.9589 29.1945 175.7626 52 H 4.7271 8.2362 113.2689 55.3062 28.8809 174.0764 53 L 4.7678 7.0889 118.5696 53.1588 45.0875 175.5605 54 R 3.8605 8.6468 115.2702 57.0791 27.6385 177.3693 55 I 3.8234 7.7452 116.5283 61.9470 37.7656 177.3441 56 R 4.3269 8.1536 123.1749 55.1080 31.3444 174.3794 57 T 4.3247 7.9010 111.8111 61.6420 70.3210 175.5114 58 K 4.3370 7.2312 121.3226 54.2346 35.0501 173.1180 59 P 4.2022 0.0000 0.0000 62.2372 32.2400 176.2623 60 F 3.8148 7.7890 119.3469 57.7972 39.1109 175.9997 61 S 4.4582 8.0108 118.8020 58.3118 62.6883 173.8089 62 W 5.3047 7.4346 116.9144 55.3880 31.9991 176.5251 63 G 3.7148 8.4521 108.5967 47.4368 0.0000 173.9402 64 D 4.6085 8.9206 124.2589 52.6074 39.6421 177.6353 65 G 3.8060 8.3712 107.9848 46.1764 0.0000 174.4456 66 N 4.9870 8.6881 116.0839 53.2211 40.1338 173.4179 67 H 4.8668 8.1487 114.4311 54.5113 31.1973 174.5476 68 T 3.5542 8.2543 113.6435 60.9619 69.5979 174.8706 69 F 3.1036 9.0020 124.7364 60.7941 39.2968 176.7496 70 F 4.7556 7.8029 117.1700 56.4077 39.3600 175.5822 71 H 4.0402 7.8988 119.7749 56.6583 30.4124 173.5783 72 N 4.8387 8.9912 125.1484 51.0413 39.8737 172.6921 73 P 4.3234 0.0000 0.0000 65.7746 31.6869 178.0573 74 R 4.0459 7.9846 116.8312 58.6877 29.9659 177.3103 75 V 4.4969 7.7669 106.7539 60.5994 33.5879 174.8567 76 N 4.8501 8.6894 118.3113 50.5966 38.8228 172.8471 77 P 4.1872 0.0000 0.0000 61.9165 32.4117 176.2770 78 L 4.3709 8.0130 120.5639 53.1190 42.6588 176.3376 79 P 4.3340 0.0000 0.0000 65.4784 31.1395 177.6391 80 T 4.1993 7.7560 105.8660 60.6215 69.4556 172.9357 81 G 2.2494 7.0729 108.4606 43.1564 0.0000 173.1120 82 Y 4.3003 7.6606 116.6247 58.0490 38.2677 176.4520 83 E 4.4262 8.4913 121.4996 55.1181 30.9401 177.0811 84 K 4.1416 8.5086 118.5392 57.0597 32.0551 177.2344 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 4.31 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 2 S 8.18 4.30 0.00 3.83 3.76 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 3 A 8.73 3.61 1.29 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 0.00 0.00 0.00 4 A 7.97 5.71 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 5 K 6.87 4.53 0.00 1.61 1.07 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.30 7.81 6 G 8.93 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 7 D 8.45 3.37 0.00 2.64 2.54 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 8 H 9.22 3.97 0.00 3.52 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.66 3.56 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 0.00 0.00 0.00 10 G 6.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 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 0.00 0.00 0.00 13 A 8.72 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 14 R 8.06 3.93 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 T 7.87 3.95 4.33 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 0.76 0.00 0.00 16 W 8.30 4.03 0.00 3.45 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 17 R 8.36 3.85 0.00 2.04 2.18 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 18 F 8.37 4.38 0.00 3.31 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 19 L 8.18 3.90 0.00 1.79 1.61 -0.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.92 3.78 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 0.75 0.00 0.00 21 F 8.09 4.84 0.00 3.14 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 22 G 8.58 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 23 L 7.66 4.51 0.00 1.63 1.75 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.29 3.97 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 25 L 8.41 4.02 0.00 1.90 1.85 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.31 2.14 0.00 3.73 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 2.27 2.25 0.00 27 S 8.11 4.14 0.00 4.10 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 28 V 7.86 3.59 2.26 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 1.03 0.00 0.00 1.02 0.00 0.00 29 A 8.30 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.90 0.00 1.87 1.71 0.92 0.70 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 31 C 8.14 4.31 0.00 2.91 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 32 T 7.91 3.68 4.43 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 1.40 0.00 0.00 33 L 7.52 3.95 0.00 1.84 1.91 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.45 4.29 0.00 2.65 2.82 0.00 0.00 7.33 7.65 0.00 0.00 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 S 7.69 3.86 0.00 3.22 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 36 W 7.66 5.29 0.00 3.37 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 37 L 7.43 4.78 0.00 2.03 1.78 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.19 4.79 0.00 3.14 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.32 4.70 0.00 4.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.26 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 41 H 8.77 4.30 0.00 3.16 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.48 4.12 0.00 1.93 1.96 0.00 3.14 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 43 E 8.80 3.87 0.00 1.96 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 2.29 2.26 0.00 44 R 8.53 4.02 0.00 1.98 1.89 0.00 2.36 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.23 0.00 45 P 0.00 4.46 0.00 2.31 2.18 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.41 4.22 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 47 F 8.88 4.55 0.00 3.02 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 48 I 7.00 3.99 1.26 0.00 0.00 0.77 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 0.62 -0.10 0.00 0.00 49 P 0.00 4.17 0.00 1.88 2.06 0.00 3.30 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 50 Y 7.02 4.19 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.93 4.40 0.00 3.24 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.24 4.73 0.00 3.27 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.09 4.77 0.00 1.62 1.59 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.65 3.86 0.00 1.95 2.03 0.00 3.35 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 55 I 7.75 3.82 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.90 0.00 0.00 56 R 8.15 4.33 0.00 1.68 1.70 0.00 3.19 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 57 T 7.90 4.32 4.19 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 0.00 0.00 1.18 0.00 0.00 58 K 7.23 4.34 0.00 1.60 1.52 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.31 7.81 59 P 0.00 4.20 0.00 2.08 1.91 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 60 F 7.79 3.81 0.00 2.34 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 61 S 8.01 4.46 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.43 5.30 0.00 3.49 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 63 G 8.45 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.92 4.61 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 66 N 8.69 4.99 0.00 2.64 2.93 0.00 0.00 6.99 7.53 0.00 0.00 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 H 8.15 4.87 0.00 3.17 3.19 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.25 3.55 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 1.32 0.00 0.00 69 F 9.00 3.10 0.00 2.53 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 70 F 7.80 4.76 0.00 3.09 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 71 H 7.90 4.04 0.00 3.34 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.99 4.84 0.00 2.73 2.81 0.00 0.00 6.83 7.64 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 73 P 0.00 4.32 0.00 2.11 2.19 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 74 R 7.98 4.05 0.00 1.80 2.00 0.00 3.31 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.77 4.50 2.18 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 0.84 0.00 0.00 0.97 0.00 0.00 76 N 8.69 4.85 0.00 2.59 2.81 0.00 0.00 6.98 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 77 P 0.00 4.19 0.00 1.61 0.53 0.00 3.72 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 78 L 8.01 4.37 0.00 1.71 1.56 0.89 0.93 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 79 P 0.00 4.33 0.00 2.05 2.16 0.00 3.64 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 2.15 2.24 0.00 80 T 7.76 4.20 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 1.20 0.00 0.00 81 G 7.07 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.66 4.30 0.00 2.94 2.86 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 83 E 8.49 4.43 0.00 2.04 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 2.31 2.39 0.00 84 K 8.51 4.14 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.