NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 G 3.8912 8.2127 109.7351 45.6263 0.0000 175.5553 9 L 3.6915 7.8921 120.9303 57.4837 42.3481 176.3529 10 L 4.1765 8.7545 118.8270 58.0262 43.1124 178.1299 11 D 4.4952 8.3205 118.0871 57.4968 41.1849 179.7617 12 G 3.6441 8.4429 105.8455 46.0595 0.0000 175.3082 *14 K 4.4523 8.3213 123.7774 56.7289 33.9445 179.2230 15 K 4.0654 8.0677 123.3780 59.5850 31.4613 180.6996 16 E 4.1978 7.9740 119.1379 58.9392 29.3190 178.7513 17 F 4.5912 7.8539 116.8281 60.5972 39.0553 177.2831 18 S 4.3533 7.7782 113.6071 61.3942 62.6232 176.3460 19 Q 4.2468 7.5232 122.9125 59.0202 29.0011 178.4120 20 L 4.5029 7.7319 122.6665 57.0540 41.1518 179.4787 21 E 4.8083 8.0114 122.4625 59.2430 31.7648 178.4843 22 E 4.1789 8.3349 118.3753 61.2794 29.9093 181.5275 23 K 4.4145 8.1133 125.0708 60.7472 32.0384 183.1407 24 N 4.6282 8.3418 122.8733 58.2114 37.2965 179.7227 25 K 4.2580 8.6529 127.4122 59.9425 31.7075 180.0796 26 D 4.8398 7.6699 115.7437 55.2230 40.7962 181.0142 27 T 4.3357 7.6802 115.4858 63.7119 69.6737 173.8613 28 I 5.0687 8.4145 126.3392 59.6997 40.4984 174.2608 29 H 5.0205 9.3579 126.1406 54.6610 32.7807 172.1176 30 T 5.1567 8.4111 121.5631 61.9351 70.9096 173.8138 31 S 4.8529 9.2739 121.6344 56.6655 66.4100 173.3228 32 K 5.1926 8.6507 122.0796 54.9688 35.8237 174.9654 33 S 4.3967 8.8068 116.0735 56.8885 67.2494 173.4871 34 G 2.9020 8.6786 105.5790 46.4552 0.0000 173.7664 35 G 3.7211 8.9162 101.2334 46.1583 0.0000 174.0848 36 G 3.4634 7.3273 105.0996 45.1596 0.0000 173.6065 *38 V 4.0987 7.2261 119.6621 63.1479 33.7648 174.3044 39 S 5.1866 8.9121 120.9249 56.7698 65.9493 172.9758 40 V 4.9587 8.9342 118.9708 59.7569 36.1666 174.6323 41 S 5.2136 8.8160 118.4589 56.8994 66.8139 173.1067 42 F 5.4064 9.1713 122.6431 55.6910 42.3835 175.2582 43 N 5.8708 8.3844 120.1948 51.1425 39.2628 176.0676 44 G 3.7126 8.6870 107.2444 47.8479 0.0000 174.7149 45 L 4.1308 8.0499 118.2002 55.3492 42.0192 177.7137 46 G 4.0543 8.3345 107.1940 45.3540 0.0000 173.4727 47 E 4.2212 8.6859 120.2400 55.5451 30.1368 175.8756 48 L 4.0925 8.4315 125.3187 54.6637 42.0137 176.3694 49 V 4.3626 8.2808 119.3655 61.3692 33.4332 175.5612 50 D 4.7095 7.5771 119.4235 52.9299 44.7988 173.6343 51 L 4.9659 8.1782 125.9399 54.0387 45.4242 174.6926 52 Q 4.6116 9.3607 124.7514 54.2876 33.1997 173.8962 53 I 4.8153 8.2445 123.8153 59.0281 40.2098 175.0836 54 D 4.3922 8.7502 126.6600 54.1679 41.9688 176.4091 55 D 4.4088 8.9934 126.1236 58.0588 40.6787 179.3787 56 S 4.4600 8.5788 116.8173 60.9367 62.7685 176.4362 57 L 4.2498 8.2206 120.9258 56.7296 41.2217 178.8784 58 L 4.1292 7.6906 118.3267 56.8667 41.3499 178.2548 59 E 4.3993 8.0631 117.8028 57.0641 30.4150 175.9032 60 D 4.8978 7.8545 118.1482 52.2635 42.3500 173.9770 61 K 4.0498 8.4049 124.3777 59.0380 33.0455 177.8986 62 E 4.0367 8.2886 117.6351 59.4760 29.6597 180.0224 63 A 3.6819 7.9850 120.5751 52.3040 17.3946 179.3704 *65 Q 4.2907 8.2558 120.3511 57.7508 30.8713 178.0445 66 I 3.5166 7.6272 117.3805 64.6719 37.4268 177.2412 67 Y 4.4968 8.1090 118.3768 61.2008 37.9704 178.9730 68 L 4.2055 7.5798 116.5809 55.7404 41.6912 178.9372 *70 S 4.3404 8.2789 114.4093 58.4277 64.1836 175.7376 71 A 4.0882 8.2854 121.8785 55.1430 18.0084 179.5897 72 L 4.2570 8.1778 117.5145 58.2828 41.7142 179.6046 73 N 4.4464 8.2251 115.9324 56.2392 38.5143 176.8410 74 D 4.4531 8.4657 119.7506 57.3139 41.3346 178.6079 75 G 3.7655 8.4177 106.3329 47.7239 0.0000 175.1509 76 Y 3.3446 7.9864 122.0835 59.8598 38.7083 177.4601 77 K 3.5854 8.4070 120.8659 59.5095 32.2161 178.5124 78 A 3.8360 7.8024 120.7819 55.0488 18.3277 179.6921 79 V 3.3772 7.3369 116.7042 66.1849 31.4665 178.1752 80 E 3.7114 7.7970 118.4660 59.2629 29.2101 179.1348 81 E 3.8433 8.2370 118.9986 59.2500 29.5133 178.8810 82 N 4.2080 8.0530 116.9585 56.7278 38.9994 176.8630 83 R 3.8490 7.8198 119.3110 59.4592 30.1121 179.2873 84 K 4.0294 8.1684 118.1055 59.5343 32.1625 179.3539 85 N 4.3863 8.6339 117.2752 56.2437 38.2274 177.5904 86 L 4.1288 7.9637 119.4946 57.6083 41.7611 179.0679 87 A 4.4680 7.8817 119.8955 55.1013 18.4260 179.0829 88 F 4.1998 8.4454 118.6640 61.2478 39.6229 176.7679 89 N 4.7938 8.1656 116.9756 54.1785 39.1808 175.8150 *91 L 4.0625 8.0018 125.7949 54.5520 41.7806 179.0123 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 8 G 8.21 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 0.00 0.00 0.00 9 L 7.89 3.69 0.00 1.67 1.68 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.75 4.18 0.00 1.69 1.75 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.32 4.50 0.00 2.78 2.71 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 12 G 8.44 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *14 K 8.32 4.45 0.00 2.04 1.98 0.00 1.72 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.66 7.81 15 K 8.07 4.07 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 16 E 7.97 4.20 0.00 2.04 1.64 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 0.00 2.21 2.27 0.00 17 F 7.85 4.59 0.00 3.25 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 18 S 7.78 4.35 0.00 4.07 3.96 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 19 Q 7.52 4.25 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.67 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 20 L 7.73 4.50 0.00 1.73 1.53 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.01 4.81 0.00 2.10 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 2.58 2.33 0.00 22 E 8.33 4.18 0.00 2.06 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 2.23 1.94 0.00 23 K 8.11 4.41 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 24 N 8.34 4.63 0.00 2.72 2.87 0.00 0.00 6.86 7.02 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 25 K 8.65 4.26 0.00 1.80 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.34 7.81 26 D 7.67 4.84 0.00 2.64 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 27 T 7.68 4.34 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 1.23 0.00 0.00 28 I 8.41 5.07 1.90 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 1.25 0.64 0.94 0.00 0.00 29 H 9.36 5.02 0.00 3.17 3.19 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.41 5.16 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 1.22 0.00 0.00 31 S 9.27 4.85 0.00 3.87 3.82 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 0.00 0.00 0.00 32 K 8.65 5.19 0.00 1.57 1.64 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.37 7.81 33 S 8.81 4.40 0.00 3.94 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 34 G 8.68 2.90 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 0.00 0.00 0.00 35 G 8.92 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 36 G 7.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.23 4.10 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 0.96 0.00 0.00 0.99 0.00 0.00 39 S 8.91 5.19 0.00 3.87 3.60 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 40 V 8.93 4.96 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 0.65 0.00 0.00 1.06 0.00 0.00 41 S 8.82 5.21 0.00 3.66 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 42 F 9.17 5.41 0.00 2.97 2.95 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 43 N 8.38 5.87 0.00 3.02 3.02 0.00 0.00 6.77 6.40 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 44 G 8.69 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 45 L 8.05 4.13 0.00 1.87 1.76 0.95 0.97 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 46 G 8.33 4.05 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 0.00 0.00 0.00 47 E 8.69 4.22 0.00 2.22 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 2.38 2.31 0.00 48 L 8.43 4.09 0.00 1.28 1.46 0.26 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.28 4.36 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 0.74 0.00 0.00 0.93 0.00 0.00 50 D 7.58 4.71 0.00 2.70 2.37 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 51 L 8.18 4.97 0.00 1.55 1.42 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 9.36 4.61 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 53 I 8.24 4.82 1.88 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 1.25 0.61 0.93 0.00 0.00 54 D 8.75 4.39 0.00 2.66 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 55 D 8.99 4.41 0.00 2.72 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 56 S 8.58 4.46 0.00 3.86 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 57 L 8.22 4.25 0.00 1.88 1.77 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.69 4.13 0.00 1.71 1.74 0.92 0.73 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 59 E 8.06 4.40 0.00 2.07 1.99 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 2.33 2.32 0.00 60 D 7.85 4.90 0.00 2.60 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 61 K 8.40 4.05 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 62 E 8.29 4.04 0.00 2.07 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 2.37 2.35 0.00 63 A 7.99 3.68 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 *65 Q 8.26 4.29 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 66 I 7.63 3.52 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.70 0.00 0.00 67 Y 8.11 4.50 0.00 3.01 2.92 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 0.00 0.00 0.00 68 L 7.58 4.21 0.00 1.78 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *70 S 8.28 4.34 0.00 3.97 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 0.00 71 A 8.29 4.09 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 72 L 8.18 4.26 0.00 1.88 1.91 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.23 4.45 0.00 2.79 2.93 0.00 0.00 6.72 8.08 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 74 D 8.47 4.45 0.00 2.93 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 75 G 8.42 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 76 Y 7.99 3.34 0.00 2.80 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 77 K 8.41 3.59 0.00 1.92 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 78 A 7.80 3.84 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 79 V 7.34 3.38 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 0.87 0.00 0.00 0.73 0.00 0.00 80 E 7.80 3.71 0.00 1.72 1.71 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 1.47 1.47 0.00 81 E 8.24 3.84 0.00 2.06 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 2.33 2.39 0.00 82 N 8.05 4.21 0.00 2.76 2.91 0.00 0.00 7.23 6.98 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 83 R 7.82 3.85 0.00 1.99 1.84 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 84 K 8.17 4.03 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.52 7.81 85 N 8.63 4.39 0.00 2.73 2.84 0.00 0.00 7.05 6.52 0.00 0.00 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 7.96 4.13 0.00 1.79 1.86 1.00 0.63 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 87 A 7.88 4.47 1.56 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 88 F 8.45 4.20 0.00 3.14 3.23 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 89 N 8.17 4.79 0.00 2.86 2.89 0.00 0.00 6.92 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 *91 L 8.00 4.06 0.00 1.69 1.48 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.