NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9608 8.3393 107.9355 46.4626 0.0000 173.1848 1 S 4.7634 7.3004 113.5053 55.0809 66.8942 171.1086 2 F 5.2429 9.5995 124.3202 56.8932 41.7935 175.9048 3 T 4.0556 7.5020 123.0028 60.6913 70.3160 172.1002 4 P 4.2328 0.0000 0.0000 62.8891 31.7525 177.1214 5 S 4.4932 8.2363 115.5213 57.0988 64.9989 175.3651 6 G 4.1175 7.7713 111.9267 45.4005 0.0000 168.6195 7 T 4.5811 7.7434 110.3155 60.7650 71.9324 173.2042 8 T 5.1328 8.4639 117.5456 61.7472 71.0247 174.1874 9 G 4.1934 9.0838 113.5628 44.7215 0.0000 172.2053 10 T 5.0450 8.5109 120.9261 61.9995 71.0863 173.5398 11 T 4.4889 9.0238 124.2719 62.0488 70.1683 174.0031 12 K 5.1316 8.5959 125.5413 54.6101 35.5829 175.6129 13 L 4.7658 8.9614 125.0810 54.2224 46.0448 174.3347 14 T 5.0418 8.9437 123.4598 62.1922 70.6062 173.6941 15 V 4.7695 9.0948 127.7258 61.9055 33.6571 174.8772 16 T 4.8852 8.8040 117.0969 60.5254 72.8068 171.7453 17 E 4.8789 8.3944 120.6857 55.0484 31.6201 176.3163 18 K 3.8896 8.7867 118.8146 60.0554 32.0713 177.1872 19 C 4.2914 7.9176 120.3053 58.5054 30.8584 171.8802 20 Q 4.4696 8.5093 128.3362 54.0201 30.5722 174.8808 21 V 4.1546 8.2522 125.0027 61.0247 32.0681 174.5685 22 R 4.2313 8.4120 126.9273 55.2381 30.4803 176.3990 23 V 4.2380 8.3248 123.0334 61.8987 33.7966 176.6382 24 G 3.8295 8.6363 115.6293 44.8603 0.0000 172.5953 25 D 4.4824 8.4588 118.8602 53.8762 41.4823 176.0593 26 L 4.0537 8.3000 123.7671 55.7111 42.5405 176.2532 27 T 4.6408 7.9231 113.9355 59.6535 72.1915 173.1532 28 V 3.9070 8.2279 121.5251 62.8075 32.2556 174.4843 29 A 5.2495 8.4703 128.8026 50.3870 22.2896 174.9204 30 K 4.9084 9.0719 119.5130 54.8278 37.1865 176.4080 31 T 4.6112 9.1757 113.5259 60.9070 69.9441 176.2099 32 R 3.9975 8.8050 120.6441 59.3000 29.0431 179.2876 33 G 3.6180 7.4251 105.9556 47.1063 0.0000 174.8501 34 Q 4.2866 7.8824 118.3594 56.4354 30.3945 176.1687 35 L 4.3355 7.4704 122.7988 53.9941 41.0135 176.1343 36 T 4.4735 7.2723 110.3443 60.2339 70.6834 174.1562 37 D 4.4149 8.4010 121.5850 55.9195 41.3888 176.3889 38 A 3.7880 9.1074 128.1326 51.9624 17.5371 177.6467 39 A 4.3396 7.8418 119.7430 51.4273 19.4636 175.7301 40 P 4.4842 0.0000 0.0000 63.1204 31.9147 175.9679 41 I 4.1335 8.7406 123.8156 61.2126 38.8284 176.4138 42 G 4.2563 7.1058 111.1975 45.4966 0.0000 170.0074 43 P 5.1251 0.0000 0.0000 61.5839 33.6913 175.3770 44 V 4.4289 8.4857 120.6459 61.2114 34.1698 174.9122 45 T 4.5751 8.5886 118.4885 61.6596 70.1080 174.2026 46 V 4.5299 8.7563 123.0135 61.4954 35.1733 174.1221 47 Q 4.6869 8.8586 125.4768 54.3671 31.6552 174.1289 48 A 4.8937 8.7128 126.4691 50.4631 20.9515 176.1297 49 L 4.5833 8.0444 119.5439 53.5164 45.8337 176.6126 50 G 3.9280 8.9485 109.6711 47.0212 0.0000 173.5536 51 C 4.7809 8.1291 116.5691 58.6859 28.8175 176.2096 52 D 4.3578 8.4217 121.5845 55.7445 38.9025 176.7920 53 A 4.6929 7.8358 120.1597 51.4593 19.7134 175.1835 54 R 4.6653 7.7908 116.4534 55.7905 35.0294 174.6686 55 Q 4.4785 8.4595 119.7654 54.3541 30.2143 175.5723 56 V 4.1852 8.3745 124.4943 63.7957 32.8862 174.5352 57 A 5.5531 9.3855 126.8428 50.9806 23.4833 174.8662 58 L 5.4458 9.3851 119.0993 52.8291 45.6252 175.6040 59 K 4.7033 8.9138 124.7544 54.3019 34.4734 175.0966 60 A 4.8768 8.6335 129.5620 51.3008 19.6715 176.9857 61 D 4.5251 8.6628 120.2141 54.7590 41.6603 178.0201 62 T 3.6446 8.8460 117.9129 67.1110 68.5090 175.0749 63 D 4.5750 8.0021 117.4980 55.2749 41.2598 176.2144 64 N 4.6101 8.5917 116.6416 51.7010 39.1369 173.8868 65 F 4.7046 6.6825 111.8102 56.0399 41.0539 173.5175 66 E 4.6496 8.8439 117.6068 55.4466 30.9621 177.0157 *68 G 3.9138 8.0680 105.5034 44.7463 0.0000 172.3375 69 K 4.6679 8.5822 120.0741 54.4630 34.7720 175.0977 70 F 5.3308 8.4050 120.3102 56.1804 41.9948 174.4993 71 F 5.3667 8.1219 114.2862 55.8839 41.3465 173.6151 72 L 4.5883 9.0267 121.6500 54.8598 43.2043 175.7064 73 I 5.3091 8.7329 121.7594 58.9482 41.3763 175.1859 74 S 4.5115 8.6606 123.2254 57.5716 63.6447 174.9222 75 D 4.2324 8.4680 120.7080 57.4260 40.5891 177.4867 76 N 4.5039 7.9047 113.2611 52.3891 37.5465 175.1094 77 N 4.2745 8.0911 116.0093 54.3190 38.6112 174.6341 78 R 4.1348 8.4994 117.3077 58.9037 30.7984 175.9566 79 D 4.9942 8.1218 117.6819 52.6763 42.9975 175.8041 80 K 4.8778 8.5000 121.4313 54.5371 34.8677 175.8578 81 L 4.6139 8.5298 125.6003 53.0435 44.0751 174.8297 82 Y 4.8378 9.1877 125.0828 58.2976 38.9358 175.8952 83 V 5.1899 8.8525 115.7742 59.9559 36.4122 174.3488 84 N 5.1473 9.3016 119.3218 51.6829 41.5201 173.9332 85 I 4.6427 7.9698 122.6291 59.3818 39.6354 175.1740 86 R 4.6613 8.6440 127.0630 54.0141 33.6323 172.5716 87 P 4.9461 0.0000 0.0000 63.2209 31.5935 176.6181 88 T 4.2562 8.8771 112.2710 64.1971 69.5816 174.3263 89 D 4.8911 8.0717 120.9715 52.6892 41.9119 176.1080 90 N 4.9359 8.6734 119.1053 53.5693 38.7557 175.3955 91 S 4.3045 8.4308 113.1602 58.1821 63.9385 173.1081 92 A 4.7016 8.2515 124.0976 50.7104 20.4169 176.1685 93 W 4.8399 8.6253 120.9312 54.9590 33.4304 174.7100 94 T 4.3938 8.0494 117.1947 61.9441 72.1459 173.0460 95 T 5.0400 8.2313 120.3933 62.0585 70.8928 174.1102 96 D 4.3586 9.4117 125.5918 52.9102 42.9157 173.7713 97 N 4.0505 9.7950 126.2779 54.0289 37.0407 174.3915 98 G 2.2356 7.3159 107.2690 44.0996 0.0000 170.9756 99 V 4.5771 7.2422 120.3866 61.0641 33.9127 174.2139 100 F 5.4789 9.5345 131.0715 56.8464 41.0885 173.4598 101 Y 5.2752 8.2017 125.0101 54.7080 41.1806 174.8873 102 K 2.8507 7.9039 122.6942 55.6343 32.7921 177.5518 103 N 4.5250 8.3252 124.6746 55.2527 38.7988 174.6590 104 D 4.7802 7.1749 116.9269 51.0381 42.6544 175.4988 105 V 4.5768 7.3923 112.9244 60.8105 32.3209 174.6673 106 G 4.1298 8.2715 105.9682 43.8531 0.0000 174.9782 107 S 4.6165 8.1799 119.8404 57.0590 61.1901 173.3175 108 W 4.4750 8.4949 133.5018 57.1439 32.3405 174.5842 109 G 4.0362 7.5972 112.2244 44.2695 0.0000 172.1263 110 G 3.2486 7.2322 109.3049 45.8666 0.0000 171.2363 111 I 4.9909 7.8219 119.5799 59.4871 40.3238 174.9286 112 I 4.5942 8.9977 128.1393 59.5487 39.2973 175.0584 113 G 3.9816 9.1662 115.4452 45.2275 0.0000 172.3755 114 I 4.7837 7.5558 123.8086 59.4753 39.4608 174.3824 115 Y 5.1813 8.6285 124.4412 55.5559 42.1007 175.4275 116 V 3.8686 9.0022 123.1785 63.4432 32.8169 174.5364 117 D 4.8405 9.3771 129.2489 54.1885 40.9387 176.7291 118 G 4.0563 9.4544 110.5865 45.0665 0.0000 171.3119 119 Q 4.0947 8.3476 121.3959 56.3611 29.6439 176.4922 120 Q 4.6763 8.7211 127.0114 55.7265 29.8684 176.6693 121 T 4.8915 8.0697 106.1084 62.9509 69.0982 174.2915 122 N 4.7758 7.8043 118.5195 53.1889 39.1184 175.0507 123 T 3.9001 7.5733 116.3612 63.1987 68.9283 172.4673 124 P 4.4715 0.0000 0.0000 61.6680 32.1133 174.5406 125 P 4.5813 0.0000 0.0000 62.1047 32.2744 176.4084 126 G 3.9384 7.9034 108.7803 46.7859 0.0000 169.9750 127 N 5.4872 7.8097 116.8435 51.8680 40.5868 174.1405 128 Y 5.1775 9.3054 121.5296 56.5724 41.5719 174.9813 129 T 5.2023 8.8549 118.1106 61.8773 73.7225 172.6915 130 L 5.0538 8.9927 125.9757 53.7404 45.5809 174.9962 131 T 5.0714 8.9536 123.0761 61.7723 71.1583 173.2521 132 L 5.1856 8.9166 126.2765 53.1977 45.1865 175.5397 133 T 5.0236 8.9849 120.8108 61.7080 71.3595 174.3066 134 G 4.1987 9.0513 113.1649 46.1502 0.0000 173.9375 135 G 4.2630 8.3103 108.3698 45.4848 0.0000 171.5765 136 Y 5.4845 6.8595 117.4942 55.1223 41.8447 174.3681 137 W 5.2836 9.3320 130.4253 55.6375 33.7063 175.2827 138 A 3.9566 7.0738 125.8407 51.9194 18.9369 175.8561 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 8.34 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 0.00 0.00 0.00 1 S 7.30 4.76 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 2 F 9.60 5.24 0.00 3.22 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 3 T 7.50 4.06 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 0.72 0.00 0.00 4 P 0.00 4.23 0.00 1.91 2.11 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.30 0.00 5 S 8.24 4.49 0.00 3.77 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 6 G 7.77 4.12 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 0.00 7 T 7.74 4.58 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 1.25 0.00 0.00 8 T 8.46 5.13 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 1.26 0.00 0.00 9 G 9.08 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 10 T 8.51 5.04 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 11 T 9.02 4.49 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 1.15 0.00 0.00 12 K 8.60 5.13 0.00 1.60 1.69 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 13 L 8.96 4.77 0.00 1.71 1.49 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.94 5.04 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 1.29 0.00 0.00 15 V 9.09 4.77 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 0.96 0.00 0.00 0.75 0.00 0.00 16 T 8.80 4.89 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 17 E 8.39 4.88 0.00 1.87 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 2.25 2.33 0.00 18 K 8.79 3.89 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 19 C 7.92 4.29 0.00 2.93 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 20 Q 8.51 4.47 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 21 V 8.25 4.15 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 0.90 0.00 0.00 0.93 0.00 0.00 22 R 8.41 4.23 0.00 1.84 1.86 0.00 3.21 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 1.62 1.61 0.00 23 V 8.32 4.24 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 0.81 0.00 0.00 0.97 0.00 0.00 24 G 8.64 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 25 D 8.46 4.48 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 26 L 8.30 4.05 0.00 1.58 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.92 4.64 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 8.23 3.91 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 1.00 0.00 0.00 0.91 0.00 0.00 29 A 8.47 5.25 1.18 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 0.00 0.00 30 K 9.07 4.91 0.00 1.63 1.62 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81 31 T 9.18 4.61 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 1.24 0.00 0.00 32 R 8.80 4.00 0.00 2.20 2.32 0.00 2.94 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 33 G 7.43 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.88 4.29 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.53 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 35 L 7.47 4.34 0.00 1.88 1.59 0.84 0.61 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 36 T 7.27 4.47 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 1.25 0.00 0.00 37 D 8.40 4.41 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.11 3.79 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 39 A 7.84 4.34 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 40 P 0.00 4.48 0.00 2.03 2.13 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 41 I 8.74 4.13 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.84 0.00 0.00 42 G 7.11 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 0.00 0.00 0.00 0.00 43 P 0.00 5.13 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 44 V 8.49 4.43 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 0.87 0.00 0.00 0.83 0.00 0.00 45 T 8.59 4.58 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 1.18 0.00 0.00 46 V 8.76 4.53 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 1.46 0.00 0.00 1.13 0.00 0.00 47 Q 8.86 4.69 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 48 A 8.71 4.89 1.46 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 49 L 8.04 4.58 0.00 1.49 1.54 1.00 0.93 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 50 G 8.95 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 0.00 0.00 0.00 51 C 8.13 4.78 0.00 2.99 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 52 D 8.42 4.36 0.00 2.75 2.81 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 53 A 7.84 4.69 1.19 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 54 R 7.79 4.67 0.00 1.51 1.46 0.00 2.21 0.00 0.00 2.73 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.00 55 Q 8.46 4.48 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 56 V 8.37 4.19 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 1.43 0.00 0.00 1.14 0.00 0.00 57 A 9.39 5.55 1.70 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 58 L 9.39 5.45 0.00 1.64 1.55 1.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.91 4.70 0.00 0.79 0.80 0.00 1.14 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.05 7.81 60 A 8.63 4.88 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.66 4.53 0.00 2.96 2.65 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 0.00 0.00 0.00 0.00 62 T 8.85 3.64 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 1.03 0.00 0.00 63 D 8.00 4.58 0.00 2.68 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 64 N 8.59 4.61 0.00 2.92 2.72 0.00 0.00 6.71 7.74 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 65 F 6.68 4.70 0.00 2.74 2.68 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 66 E 8.84 4.65 0.00 2.30 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 2.20 2.18 0.00 *68 G 8.07 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 69 K 8.58 4.67 0.00 2.15 2.08 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.41 1.40 7.81 70 F 8.41 5.33 0.00 3.03 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 71 F 8.12 5.37 0.00 2.89 2.70 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 72 L 9.03 4.59 0.00 1.72 1.81 0.92 0.86 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 73 I 8.73 5.31 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 1.01 0.00 0.00 74 S 8.66 4.51 0.00 3.41 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 75 D 8.47 4.23 0.00 2.57 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 76 N 7.90 4.50 0.00 2.78 2.86 0.00 0.00 6.00 8.04 0.00 0.00 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 N 8.09 4.27 0.00 2.84 2.96 0.00 0.00 7.00 7.56 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 78 R 8.50 4.13 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 79 D 8.12 4.99 0.00 2.77 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 80 K 8.50 4.88 0.00 1.02 0.74 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.63 1.01 7.81 81 L 8.53 4.61 0.00 1.31 1.39 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 9.19 4.84 0.00 3.09 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 83 V 8.85 5.19 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 0.70 0.00 0.00 0.95 0.00 0.00 84 N 9.30 5.15 0.00 2.66 2.71 0.00 0.00 7.21 6.99 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 85 I 7.97 4.64 0.70 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.13 -0.18 0.00 0.00 86 R 8.64 4.66 0.00 1.83 1.79 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 87 P 0.00 4.95 0.00 2.45 1.71 0.00 3.81 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.76 0.00 88 T 8.88 4.26 4.31 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 1.35 0.00 0.00 89 D 8.07 4.89 0.00 2.97 2.93 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 90 N 8.67 4.94 0.00 2.79 2.91 0.00 0.00 6.80 7.57 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 91 S 8.43 4.30 0.00 3.89 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 92 A 8.25 4.70 1.18 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 0.00 0.00 93 W 8.63 4.84 0.00 2.43 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 0.00 0.00 0.00 94 T 8.05 4.39 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 0.81 0.00 0.00 95 T 8.23 5.04 4.31 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 1.26 0.00 0.00 96 D 9.41 4.36 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 97 N 9.79 4.05 0.00 2.85 2.81 0.00 0.00 7.41 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 98 G 7.32 2.24 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 0.00 0.00 0.00 0.00 99 V 7.24 4.58 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 0.95 0.00 0.00 0.85 0.00 0.00 100 F 9.53 5.48 0.00 2.90 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 0.00 101 Y 8.20 5.28 0.00 2.85 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 0.00 102 K 7.90 2.85 0.00 0.79 0.92 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.70 0.21 7.81 103 N 8.33 4.52 0.00 2.49 2.75 0.00 0.00 6.75 8.91 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 0.00 104 D 7.17 4.78 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.39 4.58 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 0.59 0.00 0.00 0.91 0.00 0.00 106 G 8.27 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.18 4.62 0.00 3.81 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 0.00 108 W 8.49 4.48 0.00 3.38 3.20 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 0.00 109 G 7.60 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.23 3.25 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 0.00 0.00 0.00 0.00 111 I 7.82 4.99 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.90 0.00 0.00 112 I 9.00 4.59 1.77 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.58 0.00 0.00 113 G 9.17 3.98 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 0.00 0.00 0.00 114 I 7.56 4.78 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.78 0.00 0.00 115 Y 8.63 5.18 0.00 2.81 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 0.00 116 V 9.00 3.87 2.27 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 1.08 0.00 0.00 0.97 0.00 0.00 117 D 9.38 4.84 0.00 2.76 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 0.00 118 G 9.45 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 0.00 119 Q 8.35 4.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.47 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 120 Q 8.72 4.68 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 121 T 8.07 4.89 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 1.31 0.00 0.00 122 N 7.80 4.78 0.00 2.73 2.88 0.00 0.00 7.00 7.54 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 0.00 123 T 7.57 3.90 4.13 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 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.47 0.00 2.14 2.03 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 125 P 0.00 4.58 0.00 1.97 2.10 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 126 G 7.90 3.94 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 0.00 0.00 0.00 127 N 7.81 5.49 0.00 2.87 2.71 0.00 0.00 6.64 7.48 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 0.00 128 Y 9.31 5.18 0.00 2.90 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 0.00 129 T 8.85 5.20 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 1.26 0.00 0.00 130 L 8.99 5.05 0.00 1.70 1.43 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.95 5.07 4.46 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 1.26 0.00 0.00 132 L 8.92 5.19 0.00 1.51 1.49 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.98 5.02 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 1.37 0.00 0.00 134 G 9.05 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 0.00 135 G 8.31 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 0.00 0.00 0.00 0.00 136 Y 6.86 5.48 0.00 3.06 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 0.00 137 W 9.33 5.28 0.00 3.30 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 0.00 138 A 7.07 3.96 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 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.