NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1632 7.9829 118.5496 60.0701 38.0117 178.3214 3 D 4.2376 8.1610 119.0340 55.4163 40.0024 178.3320 4 T 4.4321 8.2486 110.3000 60.7232 70.0854 176.6607 5 A 4.5287 7.6852 123.6544 55.0915 20.3845 179.2913 6 A 4.2474 8.1651 119.1274 54.7572 17.9306 180.1839 7 K 4.0135 8.1601 124.4662 59.5184 31.6833 184.7589 *8 F 4.6693 8.3865 121.2215 61.0508 38.0178 182.2593 9 I 4.8424 7.0239 117.0019 62.2490 36.3956 181.1582 10 G 4.1482 7.8036 109.5409 46.9493 0.0000 175.4921 11 A 4.2288 7.8085 120.4036 54.2883 18.3438 179.4444 12 G 3.6956 7.5840 101.5111 47.4314 0.0000 175.9629 13 A 4.0503 7.9605 121.9383 54.3818 18.6092 179.0043 14 A 4.2234 7.7930 120.6814 55.2901 18.5089 179.9908 15 T 4.1931 7.6974 114.9362 65.4897 68.4258 181.9599 16 V 4.1949 7.2935 113.8869 62.3285 31.8707 182.6371 17 G 3.8280 7.8336 109.6896 48.4144 0.0000 175.7707 18 V 4.0233 7.5455 116.9165 61.0214 31.7861 183.3590 19 A 4.2710 7.9053 123.5736 55.6397 18.4079 180.1109 20 G 3.6925 8.1476 106.3407 48.1159 0.0000 176.8251 21 S 4.5035 8.0671 120.5938 62.8551 62.2287 179.9629 22 G 3.8348 8.0040 107.9783 47.5043 0.0000 175.3238 23 A 4.2782 7.9041 121.7772 53.0577 19.0030 179.3134 24 G 3.8007 8.1269 106.7136 47.6751 0.0000 176.9540 25 I 3.9734 7.5543 121.4061 64.7595 35.3833 182.2374 26 G 3.8659 7.8777 108.8531 48.6931 0.0000 176.8114 27 T 4.0460 7.7541 117.9451 66.3835 68.2926 180.1208 28 V 4.0206 7.9900 124.1924 66.0382 31.6240 181.1870 *29 F 4.6880 7.8798 119.1322 61.1790 38.1923 182.1496 30 G 3.8498 8.4937 108.2535 48.6928 0.0000 176.5020 31 S 4.4446 8.1224 122.3366 62.5162 62.3812 178.5606 32 L 4.4348 7.5085 126.1455 60.2995 40.5636 184.9940 33 I 4.2423 7.8830 120.7539 64.9743 35.3653 181.8285 34 I 4.4250 7.6838 119.0473 64.4896 35.7182 183.2575 35 G 3.6739 8.1560 108.2207 48.2500 0.0000 175.4777 *36 Y 4.2967 7.9128 120.9570 59.8025 37.0050 180.1878 37 A 4.3561 7.4477 121.8145 55.5625 18.8997 179.6831 38 R 4.1542 7.4987 119.4077 58.2617 29.9540 181.9364 39 N 4.7160 7.1669 116.6111 52.6796 37.5538 178.3629 40 P 4.9505 0.0000 0.0000 63.1734 33.6545 177.2559 41 S 4.5933 7.9012 117.2660 59.0758 61.1147 180.9795 42 L 3.8726 7.8801 130.3419 57.8303 41.4914 179.8748 43 K 4.3009 7.9277 126.8182 54.9455 30.3181 178.3844 44 Q 3.8870 8.9143 126.0206 55.5242 27.7777 171.5526 45 Q 4.5817 9.3114 122.0771 56.3910 26.1713 176.4909 46 L 4.7175 7.5188 122.6189 58.2546 42.7990 180.9182 *47 F 4.6313 7.4644 120.8997 61.1192 37.9188 180.1480 48 S 4.5835 8.0828 119.1468 64.7095 61.8645 181.7702 *49 Y 4.3044 7.8570 122.8194 61.1914 36.6224 179.8731 50 A 4.3319 7.7424 121.3309 55.9637 17.9484 180.2757 51 I 3.9178 7.6536 120.8659 65.2955 35.4319 182.6862 52 L 4.6888 7.4783 119.9692 57.2036 40.9811 180.4514 53 G 4.1885 7.8753 108.3818 47.4661 0.0000 175.4817 *54 F 4.2513 7.8772 117.8023 58.4582 38.6178 182.7419 55 A 4.0446 7.9607 124.2241 56.1227 18.5031 179.5781 56 L 4.4575 7.9977 114.5107 55.4057 40.8757 179.7090 57 S 4.7092 7.9849 116.8156 59.7163 65.1410 179.7953 58 E 4.3906 7.9841 113.0402 56.9560 30.1515 182.9537 59 A 4.0645 7.9116 123.3826 56.5855 18.5986 179.4295 60 M 4.5612 8.0794 111.5057 54.7472 31.2111 180.4306 61 G 4.1964 7.8892 107.8364 46.2500 0.0000 175.8279 62 L 4.3825 8.0184 126.6569 59.2683 40.8300 184.7486 *63 F 4.4536 8.0270 122.7523 62.2740 38.0287 181.0742 64 C 4.2714 8.1291 119.5338 63.1686 28.0148 180.3380 65 L 4.5712 7.7812 123.9232 59.5376 40.7246 183.3493 66 M 4.4073 8.0169 121.1560 60.9824 31.4743 184.9174 67 V 3.9482 7.4735 119.7892 65.4875 31.5701 180.5318 68 A 4.3735 7.6223 120.3670 55.8567 18.5910 180.0531 *69 F 4.2647 8.1373 121.0779 62.1396 37.8940 181.0838 70 L 4.4534 7.8696 122.1522 59.4274 40.8351 183.0745 71 I 4.5813 7.2036 118.0920 62.9417 35.7729 180.9727 72 L 4.8833 7.9335 121.1762 56.2319 43.8183 181.8704 *73 F 4.3816 8.0992 119.7406 57.3508 39.0584 177.9992 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 I 7.98 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.91 0.00 0.00 3 D 8.16 4.24 0.00 2.77 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 0.00 0.00 0.00 0.00 4 T 8.25 4.43 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 1.21 0.00 0.00 5 A 7.69 4.53 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 6 A 8.17 4.25 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 7 K 8.16 4.01 0.00 1.78 1.83 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *8 F 8.39 4.67 0.00 2.29 2.31 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 9 I 7.02 4.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.91 0.00 0.00 10 G 7.80 4.15 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 0.00 0.00 0.00 11 A 7.81 4.23 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 12 G 7.58 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.05 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 14 A 7.79 4.22 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.19 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 1.21 0.00 0.00 16 V 7.29 4.19 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 17 G 7.83 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 18 V 7.55 4.02 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 19 A 7.91 4.27 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 20 G 8.15 3.69 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 21 S 8.07 4.50 0.00 3.75 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 22 G 8.00 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 23 A 7.90 4.28 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 24 G 8.13 3.80 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 0.00 0.00 0.00 25 I 7.55 3.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.91 0.00 0.00 26 G 7.88 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 27 T 7.75 4.05 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 1.21 0.00 0.00 28 V 7.99 4.02 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 *29 F 7.88 4.69 0.00 2.28 2.31 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 30 G 8.49 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 31 S 8.12 4.44 0.00 3.75 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 32 L 7.51 4.43 0.00 1.66 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.88 4.24 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.91 0.00 0.00 34 I 7.68 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.91 0.00 0.00 35 G 8.16 3.67 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 0.00 *36 Y 7.91 4.30 0.00 2.36 2.29 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 37 A 7.45 4.36 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 38 R 7.50 4.15 0.00 2.06 1.85 0.00 3.38 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 39 N 7.17 4.72 0.00 3.04 2.75 0.00 0.00 6.62 7.62 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 40 P 0.00 4.95 0.00 2.03 1.91 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 41 S 7.90 4.59 0.00 3.65 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 42 L 7.88 3.87 0.00 1.57 1.70 0.92 0.83 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 43 K 7.93 4.30 0.00 1.77 1.68 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 44 Q 8.91 3.89 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.56 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 45 Q 9.31 4.58 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.80 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 46 L 7.52 4.72 0.00 1.57 1.65 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *47 F 7.46 4.63 0.00 2.41 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 0.00 0.00 0.00 0.00 48 S 8.08 4.58 0.00 3.73 3.89 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 0.00 0.00 0.00 *49 Y 7.86 4.30 0.00 2.31 2.33 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 50 A 7.74 4.33 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 51 I 7.65 3.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.91 0.00 0.00 52 L 7.48 4.69 0.00 1.75 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.88 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 0.00 0.00 0.00 0.00 *54 F 7.88 4.25 0.00 2.17 2.30 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 55 A 7.96 4.04 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 56 L 8.00 4.46 0.00 1.68 1.56 0.92 0.68 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 57 S 7.98 4.71 0.00 3.57 3.74 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 58 E 7.98 4.39 0.00 1.84 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 2.20 2.12 0.00 59 A 7.91 4.06 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 60 M 8.08 4.56 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.10 0.00 61 G 7.89 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 62 L 8.02 4.38 0.00 1.68 1.67 0.92 1.11 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 *63 F 8.03 4.45 0.00 2.24 2.32 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 64 C 8.13 4.27 0.00 2.83 2.96 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 0.00 0.00 0.00 65 L 7.78 4.57 0.00 1.69 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.02 4.41 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 67 V 7.47 3.95 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 68 A 7.62 4.37 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 *69 F 8.14 4.26 0.00 2.29 2.30 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 70 L 7.87 4.45 0.00 1.78 1.61 0.92 0.65 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 71 I 7.20 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.15 0.91 0.00 0.00 72 L 7.93 4.88 0.00 1.61 1.55 0.92 0.66 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 *73 F 8.10 4.38 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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.