NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3299 8.1727 122.0512 55.4461 35.1865 174.8207 2 K 4.9955 8.0604 120.6256 53.7931 34.6645 173.7695 3 A 4.6228 9.2839 129.5396 50.1515 22.3172 174.1919 4 V 4.5154 8.6722 123.1470 61.5338 33.0016 174.8689 5 I 4.3260 8.7391 130.1059 59.3898 39.2943 174.5820 6 N 4.6952 8.7349 129.9175 52.0095 38.7861 175.0322 7 G 2.6894 8.2098 117.4876 48.1090 0.0000 174.5393 8 E 4.0714 8.2917 115.7643 57.3816 28.7818 178.0216 9 Q 4.5416 7.9980 117.4561 55.4099 30.6205 174.1104 10 I 4.5930 7.7147 117.9356 59.7189 40.1579 175.7076 11 R 4.4987 8.4598 122.4021 56.5157 32.1013 175.5565 12 S 4.6176 7.7309 109.8426 55.9701 66.3265 175.5634 13 I 3.7647 8.6085 121.5679 64.9125 36.6260 178.6944 14 S 4.2605 8.1121 114.2494 61.6365 62.9641 176.1606 15 D 4.4350 8.2115 122.5037 56.7110 40.4733 178.5275 16 L 4.0281 7.7971 120.5649 58.5947 42.2402 178.3400 17 H 4.3502 8.3303 116.1199 59.3589 28.8366 177.8417 18 Q 4.1077 8.3078 119.6284 59.2392 28.4956 179.0282 19 T 3.9635 7.8828 116.5490 66.3718 68.3707 176.7735 20 L 3.9670 8.4331 121.4094 57.6884 41.7074 179.2250 21 K 3.7381 8.2132 119.7047 59.5237 31.8905 178.6517 22 K 3.9195 7.9147 119.1605 59.6042 31.9618 178.7542 23 E 4.0428 8.5420 117.8869 59.2410 29.4564 178.1151 24 L 4.1189 8.7273 117.1704 54.5953 42.1363 176.3269 25 A 3.6416 7.3297 119.0785 53.0192 16.0869 177.8892 26 L 4.0898 7.5614 119.0945 55.1837 42.6913 177.4619 27 A 4.0893 8.4194 122.6195 52.5428 18.5893 178.5253 28 E 4.1650 9.0001 122.9370 58.7603 29.7567 177.1275 29 Y 4.4333 7.9318 113.9928 57.5996 38.3363 174.5777 30 Y 4.2928 8.5772 122.4529 58.1484 38.9958 177.8968 31 G 3.3769 8.5026 116.0323 46.6952 0.0000 172.5808 32 E 3.0323 5.9000 117.9044 56.1708 26.9247 172.5126 33 N 4.7058 6.6272 114.3623 51.5009 40.7827 175.7365 34 L 3.9994 8.5803 118.1044 58.2208 41.8085 178.8169 35 D 4.4373 8.1852 116.1966 57.3717 41.3118 177.8096 36 A 4.1246 9.1517 122.3538 55.2743 18.6233 181.0393 37 L 4.3178 8.2326 117.8169 55.3564 41.5887 178.5039 *39 D 4.5876 8.2418 118.4682 53.7590 42.8244 177.9523 40 A 4.0722 7.9811 121.4089 55.0262 18.6242 178.9883 41 L 4.1584 7.8167 115.5549 58.3311 41.7617 178.5794 42 T 4.3045 7.9132 105.0884 62.8106 68.9053 175.7016 43 G 3.9487 7.7709 109.7307 45.8010 0.0000 173.2788 *45 V 3.5093 7.7408 118.5472 62.0672 32.2590 174.0666 46 E 4.1798 8.3176 127.5879 54.7804 29.9731 175.2090 47 Y 4.6094 7.9735 123.9795 56.8789 39.1013 173.3751 48 P 4.9764 0.0000 0.0000 62.3478 32.7047 175.5373 49 L 5.0385 9.2280 123.6373 53.3547 45.6456 175.4651 50 V 4.5844 9.3442 126.1356 61.2572 33.8454 173.9018 51 L 4.7769 8.6464 131.6157 53.6062 43.6915 175.3358 52 E 5.2034 9.1248 128.0674 53.5476 33.0021 174.2113 *54 R 4.5110 8.1879 116.1921 56.5652 31.0398 175.6364 55 Q 3.5981 9.6532 119.6950 57.2390 26.5952 176.2095 56 F 4.2784 7.9752 116.1680 56.0754 38.1453 174.8569 57 E 4.4700 8.4014 127.6077 54.0397 37.4300 178.1213 58 Q 2.5200 9.1799 120.0225 57.5707 30.0202 176.8447 59 S 3.3868 7.8086 113.1385 58.6127 64.5739 172.8377 60 K 4.5286 7.5342 117.4777 54.8985 31.9146 177.4688 61 Q 4.1723 7.9601 117.1719 57.8348 29.3584 178.9709 62 L 4.3945 7.6250 117.3205 55.4685 41.1804 175.8284 63 T 3.1767 8.1131 117.2291 63.6144 65.0020 171.5724 64 E 4.2648 8.3373 123.7733 56.1121 27.6113 174.3486 65 N 3.7350 7.7215 117.5846 51.9794 39.4421 170.6819 66 G 3.8611 8.8882 119.7409 45.5040 0.0000 172.8589 67 A 5.1051 8.0249 135.0000 52.4504 19.5918 177.9380 68 E 3.9873 7.5599 116.3713 59.0621 29.1659 178.9881 69 S 4.1496 7.9820 114.3255 61.3119 63.2678 176.5006 70 V 3.6674 7.6012 121.4500 65.5468 31.3936 177.6575 71 L 4.1598 7.9011 120.3208 57.9895 41.8915 178.8165 72 Q 4.0167 8.2201 118.2716 59.0502 28.5358 178.9951 73 V 3.5605 7.4467 117.9543 66.1142 31.5090 178.1475 74 F 4.1967 7.7980 116.7723 60.5865 38.6803 177.9707 75 R 4.0543 8.2252 117.7608 59.1263 29.7540 178.9196 76 E 3.9924 8.4169 118.4260 59.0445 29.4881 178.8961 77 A 4.0158 7.8246 121.0265 55.0280 18.2313 179.6541 78 K 4.1052 8.2992 118.8397 58.9406 32.1279 178.9116 79 A 4.1026 8.1405 120.2194 53.7557 18.5906 177.0326 80 E 4.5437 8.0512 118.0237 55.7801 30.1226 176.2318 81 G 3.9099 8.0970 107.5628 44.8746 0.0000 174.5766 82 A 3.2903 7.8200 122.2639 51.8933 19.1860 177.8694 83 D 4.7909 7.9715 124.1234 53.8249 39.1604 173.8342 84 I 4.9528 7.4561 119.6582 59.6366 39.9229 175.7173 85 T 4.4850 8.8632 124.9447 62.0649 70.2884 173.7555 86 I 4.6984 8.3481 127.7841 59.9468 38.4650 175.1854 87 I 4.2823 8.8376 128.9945 59.6920 38.9667 175.0249 88 L 4.7832 8.5292 128.6864 53.2736 41.8043 177.2243 89 S 4.1910 8.3340 118.2417 58.4583 63.1917 173.8953 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 K 8.17 4.33 0.00 1.86 1.87 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.68 7.81 2 K 8.06 5.00 0.00 1.81 1.63 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.56 7.81 3 A 9.28 4.62 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 4 V 8.67 4.52 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 0.92 0.00 0.00 5 I 8.74 4.33 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 1.00 0.00 0.00 6 N 8.73 4.70 0.00 2.73 2.66 0.00 0.00 7.20 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 7 G 8.21 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 0.00 0.00 0.00 8 E 8.29 4.07 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 2.27 2.25 0.00 9 Q 8.00 4.54 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 10 I 7.71 4.59 1.77 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 1.46 0.84 0.98 0.00 0.00 11 R 8.46 4.50 0.00 1.78 1.95 0.00 3.40 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 12 S 7.73 4.62 0.00 4.03 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 13 I 8.61 3.76 1.93 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 1.74 0.80 1.00 0.00 0.00 14 S 8.11 4.26 0.00 4.08 4.16 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 15 D 8.21 4.44 0.00 3.02 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 16 L 7.80 4.03 0.00 2.00 1.80 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.33 4.35 0.00 3.48 3.56 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 18 Q 8.31 4.11 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 19 T 7.88 3.96 4.48 0.00 0.00 0.00 0.00 0.00 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 20 L 8.43 3.97 0.00 2.09 1.71 1.02 0.90 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 21 K 8.21 3.74 0.00 1.91 2.07 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 K 7.91 3.92 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 23 E 8.54 4.04 0.00 2.03 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 2.49 2.61 0.00 24 L 8.73 4.12 0.00 1.60 1.68 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.33 3.64 1.35 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 0.00 0.00 0.00 26 L 7.56 4.09 0.00 1.37 1.34 -0.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.42 4.09 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 28 E 9.00 4.16 0.00 1.95 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 0.00 2.01 2.25 0.00 29 Y 7.93 4.43 0.00 3.03 2.97 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 30 Y 8.58 4.29 0.00 3.08 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 31 G 8.50 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 0.00 0.00 0.00 32 E 5.90 3.03 0.00 1.92 1.89 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 0.00 2.32 2.31 0.00 33 N 6.63 4.71 0.00 2.81 2.74 0.00 0.00 6.11 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 34 L 8.58 4.00 0.00 1.64 1.77 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.19 4.44 0.00 2.76 2.72 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 36 A 9.15 4.12 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 37 L 8.23 4.32 0.00 1.94 1.86 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 *39 D 8.24 4.59 0.00 2.94 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 40 A 7.98 4.07 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 41 L 7.82 4.16 0.00 1.66 1.82 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.91 4.30 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 1.24 0.00 0.00 43 G 7.77 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 0.00 0.00 0.00 *45 V 7.74 3.51 1.75 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 0.29 0.00 0.00 0.90 0.00 0.00 46 E 8.32 4.18 0.00 1.87 1.76 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 2.20 2.27 0.00 47 Y 7.97 4.61 0.00 3.07 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 48 P 0.00 4.98 0.00 1.99 2.47 0.00 3.67 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 2.02 2.14 0.00 49 L 9.23 5.04 0.00 1.82 1.73 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 V 9.34 4.58 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 0.96 0.00 0.00 0.94 0.00 0.00 51 L 8.65 4.78 0.00 1.49 1.27 -0.24 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.12 5.20 0.00 2.03 1.78 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 2.22 2.07 0.00 *54 R 8.19 4.51 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 55 Q 9.65 3.60 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.22 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 56 F 7.98 4.28 0.00 3.06 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 57 E 8.40 4.47 0.00 1.89 1.72 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 2.22 2.40 0.00 58 Q 9.18 2.52 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 5.82 0.00 0.00 0.00 0.00 0.00 2.41 2.19 0.00 59 S 7.81 3.39 0.00 3.86 3.84 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 60 K 7.53 4.53 0.00 1.81 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.37 7.81 61 Q 7.96 4.17 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 62 L 7.62 4.39 0.00 1.66 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.11 3.18 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 1.24 0.00 0.00 64 E 8.34 4.26 0.00 2.06 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 2.34 2.36 0.00 65 N 7.72 3.73 0.00 2.79 2.72 0.00 0.00 7.25 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 66 G 8.89 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 67 A 8.02 5.11 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 68 E 7.56 3.99 0.00 2.08 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 2.37 2.41 0.00 69 S 7.98 4.15 0.00 4.09 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 70 V 7.60 3.67 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 1.12 0.00 0.00 0.91 0.00 0.00 71 L 7.90 4.16 0.00 1.69 1.77 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.22 4.02 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 73 V 7.45 3.56 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 0.85 0.00 0.00 0.93 0.00 0.00 74 F 7.80 4.20 0.00 3.44 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 75 R 8.23 4.05 0.00 2.01 2.00 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 76 E 8.42 3.99 0.00 2.02 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 2.33 2.61 0.00 77 A 7.82 4.02 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 78 K 8.30 4.11 0.00 1.88 2.04 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.33 7.81 79 A 8.14 4.10 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 80 E 8.05 4.54 0.00 1.86 1.85 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 2.18 2.19 0.00 81 G 8.10 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 0.00 0.00 0.00 82 A 7.82 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.97 4.79 0.00 2.67 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 84 I 7.46 4.95 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.75 0.99 0.00 0.00 85 T 8.86 4.48 4.24 0.00 0.00 0.00 0.00 0.00 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 86 I 8.35 4.70 1.85 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 1.34 0.81 0.85 0.00 0.00 87 I 8.84 4.28 1.85 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 1.20 1.31 0.91 0.00 0.00 88 L 8.53 4.78 0.00 1.53 1.64 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.33 4.19 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.