NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0005 8.3549 109.7335 44.8310 0.0000 174.0875 *2 L 4.3407 7.4862 117.9916 54.7783 44.1681 177.0839 3 Y 4.9706 8.9827 122.1858 56.8180 39.4749 174.5882 4 H 5.1487 9.3127 126.7755 55.1292 31.0020 173.4354 5 L 4.9321 8.7914 129.2621 53.1914 44.4848 175.4297 6 V 4.9928 7.7413 124.8084 59.6864 35.8556 173.7232 *8 L 4.4025 8.1658 120.8211 54.6068 42.9811 176.3405 9 E 4.8107 8.7386 124.1984 53.3684 28.7626 172.5687 10 P 4.6985 0.0000 0.0000 62.7199 32.6429 175.4484 11 E 4.5007 9.6920 124.0632 55.4267 33.1977 174.8670 12 G 4.0194 9.5400 116.0365 44.9926 0.0000 174.6960 13 E 3.9129 8.9993 116.8772 58.6444 29.7869 179.7021 14 G 4.0553 7.9301 105.9940 45.0440 0.0000 175.3415 15 A 3.8176 7.7504 120.2493 52.6888 17.8159 180.1289 *17 D 4.5170 8.2123 120.0270 56.0538 42.9993 177.5724 18 R 4.0484 7.8789 117.8231 59.4387 30.0980 179.8303 19 I 3.8235 7.6667 115.4669 61.8757 36.5019 176.8470 *21 E 4.3156 8.3103 122.3501 56.5317 31.3136 178.7930 22 A 3.9967 7.8935 119.8466 52.3292 18.0649 179.0728 *24 A 4.3136 8.1628 124.1516 53.9186 20.8927 180.1006 25 I 3.6867 7.7738 116.5164 64.6710 37.0537 178.6896 26 L 3.8303 7.8431 119.6099 57.4321 41.0667 179.2495 27 D 4.5626 8.0451 118.1739 57.2693 40.9174 178.4684 28 G 3.7065 7.7321 104.9380 47.5036 0.0000 175.3427 29 L 4.0070 7.7909 122.0730 57.7619 42.1764 178.5052 30 A 3.9586 7.8908 120.8690 55.2015 18.0538 177.7143 31 P 4.2386 0.0000 0.0000 65.7350 31.4125 177.8000 32 E 4.5339 8.3030 115.3863 56.0639 30.1736 176.2562 33 L 4.6327 7.5976 120.3860 52.0218 42.0938 175.3060 34 P 4.3179 0.0000 0.0000 65.5313 31.6037 178.0991 35 G 3.7660 8.1918 105.2493 47.7531 0.0000 172.9139 36 L 4.6451 7.7018 122.9159 54.3196 41.4255 176.1184 37 T 4.2731 8.6448 124.7317 65.6496 69.5168 175.2906 38 E 4.6967 7.5609 120.2987 54.8883 33.2929 173.7670 39 F 5.4406 8.6657 127.7312 56.6900 42.3278 173.8851 40 R 4.4207 8.7339 124.6529 54.5690 34.3047 173.9798 41 H 5.2161 8.1660 117.4095 53.7819 32.2954 172.4927 42 G 3.6831 7.5095 108.3284 44.5310 0.0000 170.6927 43 P 4.3892 0.0000 0.0000 62.2428 31.8486 176.0981 44 N 4.4443 8.5110 120.6464 52.8249 37.9804 175.2366 45 R 3.6741 8.2543 125.5809 57.0026 31.1428 176.6044 46 D 4.1779 7.5791 115.7605 55.1443 39.5646 174.1588 47 F 4.3755 7.5070 118.4101 59.8952 39.6581 176.5170 48 E 4.4544 8.2277 117.3020 55.3591 29.9705 175.3998 49 Q 3.6522 7.7823 116.9868 57.5235 26.6702 174.2315 50 K 4.6474 8.2524 112.6564 55.9927 32.9973 177.8903 51 S 4.6910 8.2511 113.6281 56.9750 63.0811 176.7749 52 E 4.0177 8.4117 122.4788 60.0453 29.5791 178.6595 53 R 3.7675 7.8886 118.2515 58.4135 29.9014 175.7971 54 Y 5.3217 7.8685 116.1952 54.6040 37.4431 174.1702 55 P 4.3203 0.0000 0.0000 64.1339 32.2298 175.9391 56 Y 4.8707 7.4239 119.1882 56.8558 42.4347 173.5221 57 G 4.2808 7.9306 109.9417 46.1282 0.0000 171.5854 58 F 5.4430 8.7103 114.1883 55.4131 42.0687 173.0688 59 L 5.0747 9.4295 121.6105 53.4967 44.8590 174.6133 60 C 5.1074 9.1756 124.2556 58.2908 30.8159 172.8598 61 T 4.6549 8.3988 121.4105 62.2056 69.7204 173.8342 62 F 5.3015 9.1861 125.4893 55.8927 41.2960 175.6606 63 T 4.2533 8.9935 121.0323 66.6181 68.9775 173.6196 64 D 4.8148 7.9063 117.9287 50.8232 42.5060 175.4365 65 K 3.7524 8.8479 118.7213 59.7319 31.8331 178.1383 66 A 3.9318 7.9869 120.1241 55.0451 18.4885 179.2732 67 A 3.9272 8.6694 119.6221 55.1921 18.4637 179.3540 68 L 2.4400 7.5478 118.7808 58.0995 41.9804 179.0274 69 D 4.2489 8.2664 118.6832 57.3075 40.4969 178.6759 70 A 4.0308 7.8008 120.4114 55.1423 18.1255 178.8473 71 Y 4.1414 7.9538 117.5629 60.6524 38.7017 177.5876 72 A 3.7864 7.9130 121.7498 55.3214 18.4940 179.1021 73 V 3.8295 7.5175 106.7823 63.1552 32.2099 177.1251 74 H 4.0107 7.7137 119.7116 55.9350 30.8284 173.7439 75 P 4.1980 0.0000 0.0000 66.2629 31.1351 178.9468 76 T 3.9151 8.0561 113.9419 66.6864 68.3301 176.1770 77 H 3.9564 8.1083 119.8285 59.2754 29.9652 177.0646 78 Q 3.7806 8.2682 120.1611 58.8887 28.2331 179.1113 79 R 3.8051 7.5636 118.3007 59.2039 30.2374 178.0817 80 A 4.1594 7.4863 119.2071 55.1000 18.7228 179.1590 81 G 4.1086 8.4912 104.8874 48.0419 0.0000 177.6025 82 G 3.8305 7.9018 107.3630 44.3204 0.0000 175.5364 *84 L 4.3049 7.8976 121.8040 54.5335 44.1198 179.4596 85 V 3.5868 7.9725 117.3347 66.1811 31.2308 177.8635 86 A 4.1803 7.9662 117.9125 54.1717 18.4813 178.7179 87 S 4.4227 7.8894 112.4466 58.4503 63.5384 173.5361 88 C 5.1601 7.1183 119.4678 57.2656 30.0690 173.0090 89 R 4.3475 8.6930 122.6194 57.3802 29.6035 176.5863 90 N 3.9768 9.8131 122.5026 54.3396 37.6213 176.1413 91 G 4.2048 7.6757 111.9992 46.2027 0.0000 178.8190 92 A 4.1334 8.6505 128.9778 54.4336 18.3356 179.6989 93 D 4.4629 7.7841 114.6278 56.8228 41.1477 177.4279 94 G 4.2297 8.1369 106.8722 45.2169 0.0000 172.5179 95 I 4.8937 7.5898 120.2631 59.0946 39.6962 174.6865 96 L 4.5442 8.3421 128.6000 53.2843 43.9944 174.7555 97 V 4.5688 8.3583 126.1486 61.0478 33.6568 174.4997 98 V 4.3351 8.6170 127.9580 61.3626 34.0996 174.1503 99 D 5.2479 8.5387 126.6224 52.2827 41.4448 173.6906 100 L 4.1453 8.9448 122.4075 54.2585 43.3645 175.4061 101 E 4.5610 8.8346 125.3817 54.9690 30.7246 176.3020 102 V 3.8722 7.9976 119.5895 61.3553 32.0159 176.0172 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 0 G 8.35 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 0.00 0.00 0.00 *2 L 7.49 4.34 0.00 1.86 1.83 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.98 4.97 0.00 2.82 2.87 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 4 H 9.31 5.15 0.00 3.53 3.56 0.00 5.73 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.79 4.93 0.00 1.66 1.35 0.89 0.69 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 6 V 7.74 4.99 0.67 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 1.22 0.00 0.00 0.53 0.00 0.00 *8 L 8.17 4.40 0.00 1.89 1.77 1.27 0.84 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 9 E 8.74 4.81 0.00 2.15 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 2.17 2.33 0.00 10 P 0.00 4.70 0.00 1.99 1.99 0.00 3.73 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 2.15 0.00 11 E 9.69 4.50 0.00 2.02 1.73 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 2.19 2.24 0.00 12 G 9.54 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 0.00 0.00 0.00 13 E 9.00 3.91 0.00 2.00 1.91 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 2.24 1.91 0.00 14 G 7.93 4.06 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 0.00 0.00 0.00 15 A 7.75 3.82 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 *17 D 8.21 4.52 0.00 2.84 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 18 R 7.88 4.05 0.00 1.99 1.96 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 19 I 7.67 3.82 1.71 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 1.32 0.60 0.75 0.00 0.00 *21 E 8.31 4.32 0.00 2.17 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 2.28 2.41 0.00 22 A 7.89 4.00 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 *24 A 8.16 4.31 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 25 I 7.77 3.69 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.11 0.87 0.00 0.00 26 L 7.84 3.83 0.00 1.06 0.70 0.45 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.05 4.56 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 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 29 L 7.79 4.01 0.00 1.80 1.71 0.61 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.89 3.96 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 31 P 0.00 4.24 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 32 E 8.30 4.53 0.00 2.01 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 2.46 0.00 33 L 7.60 4.63 0.00 1.78 1.73 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.20 2.21 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 35 G 8.19 3.77 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 0.00 0.00 0.00 36 L 7.70 4.65 0.00 1.80 1.73 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.64 4.27 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 1.20 0.00 0.00 38 E 7.56 4.70 0.00 1.91 1.57 0.00 0.00 0.00 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 2.24 0.00 39 F 8.67 5.44 0.00 2.88 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 40 R 8.73 4.42 0.00 1.52 1.52 0.00 3.13 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 41 H 8.17 5.22 0.00 3.18 3.11 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.51 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.19 2.21 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 44 N 8.51 4.44 0.00 2.62 2.82 0.00 0.00 7.21 7.69 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 45 R 8.25 3.67 0.00 0.93 1.15 0.00 3.49 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 46 D 7.58 4.18 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.38 0.00 3.13 3.05 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 48 E 8.23 4.45 0.00 1.99 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 2.31 2.41 0.00 49 Q 7.78 3.65 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.22 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 50 K 8.25 4.65 0.00 1.74 1.81 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.57 7.81 51 S 8.25 4.69 0.00 4.14 4.08 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 52 E 8.41 4.02 0.00 1.94 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 2.35 2.23 0.00 53 R 7.89 3.77 0.00 1.47 1.19 0.00 2.96 0.00 0.00 2.68 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.35 0.00 54 Y 7.87 5.32 0.00 3.07 2.83 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 55 P 0.00 4.32 0.00 2.31 2.33 0.00 4.00 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 2.17 1.99 0.00 56 Y 7.42 4.87 0.00 2.88 2.91 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 57 G 7.93 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 0.00 0.00 0.00 0.00 58 F 8.71 5.44 0.00 3.18 3.15 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 0.00 0.00 0.00 59 L 9.43 5.07 0.00 1.59 1.39 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.18 5.11 0.00 2.70 1.87 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 61 T 8.40 4.65 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 1.26 0.00 0.00 62 F 9.19 5.30 0.00 2.90 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 63 T 8.99 4.25 4.32 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 1.25 0.00 0.00 64 D 7.91 4.81 0.00 2.86 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 K 8.85 3.75 0.00 1.87 1.84 0.00 1.54 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.55 7.81 66 A 7.99 3.93 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 67 A 8.67 3.93 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.55 2.44 0.00 1.13 1.57 0.33 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.27 4.25 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 70 A 7.80 4.03 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 71 Y 7.95 4.14 0.00 3.16 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 72 A 7.91 3.79 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 73 V 7.52 3.83 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 0.65 0.00 0.00 0.97 0.00 0.00 74 H 7.71 4.01 0.00 3.40 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.20 0.00 2.15 2.05 0.00 3.16 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 76 T 8.06 3.92 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 1.17 0.00 0.00 77 H 8.11 3.96 0.00 2.75 3.29 0.00 5.68 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 78 Q 8.27 3.78 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 79 R 7.56 3.81 0.00 1.75 2.05 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 80 A 7.49 4.16 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 81 G 8.49 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 0.00 0.00 0.00 0.00 82 G 7.90 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 *84 L 7.90 4.30 0.00 1.99 1.88 1.22 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.97 3.59 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 1.03 0.00 0.00 1.00 0.00 0.00 86 A 7.97 4.18 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 87 S 7.89 4.42 0.00 4.01 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 88 C 7.12 5.16 0.00 3.12 2.87 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 89 R 8.69 4.35 0.00 1.81 1.82 0.00 3.27 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 90 N 9.81 3.98 0.00 2.94 2.87 0.00 0.00 7.02 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.68 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.65 4.13 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 93 D 7.78 4.46 0.00 2.91 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 94 G 8.14 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 0.00 0.00 0.00 95 I 7.59 4.89 2.02 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 1.20 0.79 0.93 0.00 0.00 96 L 8.34 4.54 0.00 1.43 0.92 0.87 0.44 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 97 V 8.36 4.57 2.07 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 0.80 0.00 0.00 0.91 0.00 0.00 98 V 8.62 4.34 2.02 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 1.00 0.00 0.00 0.86 0.00 0.00 99 D 8.54 5.25 0.00 2.59 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 0.00 100 L 8.94 4.15 0.00 1.64 1.54 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.83 4.56 0.00 2.04 1.82 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 2.28 2.31 0.00 102 V 8.00 3.87 1.74 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 0.40 0.00 0.00 0.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.