NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2916 8.3149 121.7957 56.1041 34.4323 176.3813 5 T 4.2484 7.7700 115.5414 62.0941 70.8273 174.1794 6 F 4.2364 9.7613 126.8039 61.9537 39.3149 177.2767 7 E 4.1780 8.4552 117.4647 59.2398 29.1489 179.1454 8 E 4.0384 8.0547 118.3702 59.4877 29.6956 179.1186 9 L 4.0351 7.9330 118.9329 57.5621 41.7070 179.4411 10 F 4.1305 8.0186 120.4238 61.5807 38.9837 177.4648 11 T 3.7623 7.7207 114.5241 66.2927 68.1109 176.6657 12 E 3.9631 7.8961 120.9800 59.4009 29.0757 179.3347 13 L 4.0110 7.6419 118.7409 57.6772 41.3885 179.5215 14 Q 3.7733 7.3529 117.1613 58.9566 28.8462 178.0046 15 H 4.3292 7.8486 118.9831 59.1230 29.7888 177.3911 16 K 4.0224 7.7439 117.9189 58.2629 31.8105 178.0658 17 A 4.3581 7.4278 119.5204 52.2408 18.9299 178.4937 18 A 3.9818 7.7698 120.1149 53.9081 19.7661 177.6377 19 N 4.8767 6.8234 112.0500 53.6987 38.4870 175.9107 *24 T 4.3226 8.2187 123.0302 64.6083 70.2645 175.9422 25 S 4.2616 7.9820 115.7448 59.3126 63.5086 175.3971 26 R 4.1933 8.5986 119.5286 56.6610 30.9879 176.9991 27 T 4.2166 8.4686 117.1734 62.9146 70.5284 174.7034 28 A 3.9035 7.5766 127.6654 52.3093 17.6138 177.8945 29 E 4.6211 8.4751 125.2230 56.0648 28.8785 177.3331 30 L 4.0748 7.6574 121.2825 57.0502 42.1535 178.8593 31 V 3.5705 7.7765 117.4567 65.8878 31.3953 177.0922 32 D 4.4412 7.4774 116.6918 57.2977 41.2159 178.1315 33 K 4.1353 7.8552 117.4517 57.1780 32.5539 177.1737 34 G 3.8966 8.3514 104.6356 44.2799 0.0000 174.1735 35 V 3.5556 8.5242 116.7867 66.4337 31.2117 177.0994 36 H 4.0128 8.3282 116.9169 59.4522 29.2358 176.8722 37 A 4.0468 7.9882 121.8827 55.2229 18.1976 179.5545 38 I 3.8936 7.7991 118.1483 64.2992 37.1738 178.8133 39 G 3.5969 8.6695 107.0438 47.6644 0.0000 175.8111 40 K 3.9396 7.9276 120.6381 59.2180 32.0828 179.6030 41 K 3.8957 7.6555 117.4320 59.2872 31.9573 179.4467 42 V 3.5775 7.9774 118.8121 66.2192 30.9376 178.2693 43 V 3.6463 7.9205 118.0692 65.8548 31.3539 177.8180 44 E 4.0380 8.4021 117.5505 59.4922 29.6249 178.9632 45 E 4.0176 8.7748 119.8408 58.9041 29.4763 179.1063 46 A 4.0636 8.2725 120.7368 55.2676 18.2492 179.6106 47 A 4.1836 7.6280 117.3599 55.2854 18.4861 179.4576 48 E 4.1074 7.9740 116.6036 59.3417 29.7519 179.3073 49 V 3.8717 8.4150 118.7351 65.7564 31.6295 178.5776 50 W 4.4429 8.2296 124.1582 58.5277 30.4190 176.9842 *52 A 4.3104 7.9720 121.7689 51.7611 19.8987 179.6343 53 A 4.0627 8.4314 117.9798 55.2543 18.7752 178.6434 54 E 4.0289 8.4848 115.9099 58.9486 29.8318 177.0148 55 Y 4.4274 7.9073 113.3027 58.2841 39.3012 175.2891 56 E 4.5587 8.0294 118.7298 54.3466 31.9400 175.7688 57 G 3.9492 8.1774 106.6629 44.0973 0.0000 174.7083 58 K 4.0013 8.4526 118.9421 59.4092 31.9162 179.1760 59 D 4.3045 8.0985 117.5617 57.3400 41.2734 177.8929 60 A 3.9841 8.0668 120.5582 55.2406 18.3634 179.3334 61 A 4.0105 8.1066 118.9905 55.1976 18.4479 179.7775 62 A 3.9777 8.1701 119.4863 55.0421 18.5468 179.5501 63 E 3.8936 8.4786 118.1242 59.5808 29.7756 178.9047 64 E 4.0584 8.2793 118.6312 59.5185 29.4074 179.4584 65 I 3.8132 8.0940 120.2296 64.3152 37.1181 178.5900 66 S 4.2217 8.2452 115.2211 61.6379 62.7499 176.6650 67 Q 4.0946 8.1318 121.3009 58.5480 28.4720 178.4299 68 L 4.0614 8.0848 121.4218 58.2707 42.0945 179.0797 69 L 4.1523 8.4116 119.3044 57.8876 41.5290 178.8225 70 Y 4.0835 8.3560 119.6252 61.1909 38.5344 178.0041 71 H 3.9911 8.1072 115.9301 58.4472 28.8360 177.7238 72 V 3.7448 7.7725 119.5990 66.0841 31.4727 177.7383 73 Q 4.2721 8.0971 116.9357 58.2079 29.9467 178.4679 74 V 3.6442 7.3498 120.9902 63.1277 28.2605 175.9036 *77 V 3.9410 7.7344 122.0152 62.2655 33.4129 177.4677 78 A 4.0394 8.3631 121.4380 54.4698 18.2371 178.1500 79 R 4.3793 7.9676 112.0977 55.4383 30.7168 176.3878 80 G 3.9225 7.7072 105.5152 46.4814 0.0000 173.8080 81 I 4.1954 7.8030 119.8355 60.0644 38.5566 176.2596 82 S 4.9256 8.7018 119.6297 56.6913 66.5085 175.5096 83 L 3.4164 8.1077 121.8907 57.7535 41.1602 179.5742 84 D 4.4605 7.9441 118.5263 57.2399 40.5976 178.1921 85 D 4.3417 7.6226 118.0790 57.4154 41.2607 178.8672 86 V 3.7232 7.4795 118.1307 66.3644 31.4313 177.6103 87 Y 4.4877 8.3385 116.5530 61.1925 37.4256 178.5284 88 A 4.0194 8.1590 121.1040 55.4940 18.7738 178.9449 89 H 4.4576 8.1830 114.2346 58.2205 28.7807 177.2902 90 L 4.2313 7.5109 118.1967 55.9563 41.3728 177.1454 91 L 4.3143 7.6780 124.6988 54.7835 41.9086 176.1408 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 4 K 8.31 4.29 0.00 1.76 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 5 T 7.77 4.25 4.40 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 1.35 0.00 0.00 6 F 9.76 4.24 0.00 3.13 3.19 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 7 E 8.46 4.18 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 8 E 8.05 4.04 0.00 2.21 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 0.00 2.44 2.46 0.00 9 L 7.93 4.04 0.00 1.69 1.74 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.02 4.13 0.00 2.88 3.10 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 0.00 0.00 0.00 0.00 11 T 7.72 3.76 4.35 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 1.17 0.00 0.00 12 E 7.90 3.96 0.00 2.11 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 2.59 2.50 0.00 13 L 7.64 4.01 0.00 1.56 1.56 0.90 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.35 3.77 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 15 H 7.85 4.33 0.00 3.12 3.41 0.00 5.59 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 16 K 7.74 4.02 0.00 1.72 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 17 A 7.43 4.36 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 18 A 7.77 3.98 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 19 N 6.82 4.88 0.00 2.48 1.95 0.00 0.00 6.95 7.42 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 *24 T 8.22 4.32 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 25 S 7.98 4.26 0.00 3.85 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 26 R 8.60 4.19 0.00 1.71 1.72 0.00 3.15 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 27 T 8.47 4.22 4.25 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 1.23 0.00 0.00 28 A 7.58 3.90 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 29 E 8.48 4.62 0.00 2.00 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 2.49 2.28 0.00 30 L 7.66 4.07 0.00 1.70 1.73 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.78 3.57 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 0.81 0.00 0.00 0.89 0.00 0.00 32 D 7.48 4.44 0.00 2.82 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 33 K 7.86 4.14 0.00 1.91 1.88 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 34 G 8.35 3.90 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 V 8.52 3.56 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 0.85 0.00 0.00 0.94 0.00 0.00 36 H 8.33 4.01 0.00 3.30 3.30 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.99 4.05 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 38 I 7.80 3.89 1.87 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 1.46 0.81 0.91 0.00 0.00 39 G 8.67 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 0.00 0.00 0.00 40 K 7.93 3.94 0.00 1.98 1.85 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.59 7.81 41 K 7.66 3.90 0.00 1.81 1.45 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.53 7.81 42 V 7.98 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 43 V 7.92 3.65 2.23 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 1.01 0.00 0.00 0.94 0.00 0.00 44 E 8.40 4.04 0.00 2.25 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 0.00 2.44 2.35 0.00 45 E 8.77 4.02 0.00 2.19 2.12 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 2.54 2.58 0.00 46 A 8.27 4.06 1.43 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 0.00 0.00 0.00 47 A 7.63 4.18 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 48 E 7.97 4.11 0.00 2.19 2.17 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 2.38 2.49 0.00 49 V 8.42 3.87 2.34 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 1.14 0.00 0.00 1.04 0.00 0.00 50 W 8.23 4.44 0.00 3.41 3.17 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 *52 A 7.97 4.31 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.43 4.06 1.48 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 0.00 0.00 0.00 54 E 8.48 4.03 0.00 2.06 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 1.78 1.69 0.00 55 Y 7.91 4.43 0.00 2.98 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 56 E 8.03 4.56 0.00 2.14 1.94 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 2.35 2.42 0.00 57 G 8.18 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 58 K 8.45 4.00 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 59 D 8.10 4.30 0.00 2.80 2.67 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 60 A 8.07 3.98 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 61 A 8.11 4.01 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 62 A 8.17 3.98 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 63 E 8.48 3.89 0.00 2.06 2.11 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 2.33 2.36 0.00 64 E 8.28 4.06 0.00 2.23 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 2.59 2.55 0.00 65 I 8.09 3.81 2.09 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 1.62 0.90 0.96 0.00 0.00 66 S 8.25 4.22 0.00 4.13 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 0.00 67 Q 8.13 4.09 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 68 L 8.08 4.06 0.00 1.85 1.94 0.98 0.77 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 69 L 8.41 4.15 0.00 2.05 2.02 1.07 1.01 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 70 Y 8.36 4.08 0.00 3.08 3.19 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 71 H 8.11 3.99 0.00 3.24 3.34 0.00 5.71 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 72 V 7.77 3.74 2.28 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 0.86 0.00 0.00 1.05 0.00 0.00 73 Q 8.10 4.27 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.11 0.00 0.00 0.00 0.00 0.00 2.14 2.48 0.00 74 V 7.35 3.64 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 0.94 0.00 0.00 0.22 0.00 0.00 *77 V 7.73 3.94 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 0.82 0.00 0.00 0.73 0.00 0.00 78 A 8.36 4.04 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 79 R 7.97 4.38 0.00 1.80 1.96 0.00 3.49 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 80 G 7.71 3.92 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 0.00 0.00 0.00 81 I 7.80 4.20 1.88 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 1.47 0.62 0.87 0.00 0.00 82 S 8.70 4.93 0.00 4.10 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 83 L 8.11 3.42 0.00 1.56 1.18 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.94 4.46 0.00 2.78 2.75 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 0.00 0.00 0.00 0.00 85 D 7.62 4.34 0.00 2.81 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 86 V 7.48 3.72 1.77 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 0.97 0.00 0.00 0.81 0.00 0.00 87 Y 8.34 4.49 0.00 3.06 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 88 A 8.16 4.02 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 89 H 8.18 4.46 0.00 3.40 3.35 0.00 5.63 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 90 L 7.51 4.23 0.00 1.87 1.74 1.07 0.91 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 91 L 7.68 4.31 0.00 1.64 1.53 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.