NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2887 8.1633 118.1874 54.8545 33.3566 174.7557 *3 L 4.3946 7.8088 118.4218 54.8264 43.0710 177.2094 4 T 4.2490 8.6379 113.4882 60.2390 71.0593 174.0179 5 P 4.2250 0.0000 0.0000 66.2863 30.9661 178.3502 6 E 3.9944 8.1462 116.8079 58.5884 29.6031 178.4961 7 E 4.0841 7.5327 119.9230 58.4759 29.7885 178.9168 8 K 3.8523 8.0109 118.5866 59.6531 32.1728 179.3502 9 S 4.1261 8.1516 115.1310 61.8195 62.3568 176.8479 10 A 4.0924 7.8329 122.6993 54.5291 18.0844 179.7955 11 V 3.3739 7.4778 116.7924 65.9154 31.8028 178.1691 12 T 3.8951 7.9299 115.1629 66.6962 68.1332 175.9198 13 A 4.0119 7.7272 121.1503 55.6936 18.7463 179.3773 14 L 3.9363 7.6887 117.7932 57.6183 42.2155 178.6860 15 W 4.5350 8.4606 128.2883 59.5480 30.4121 178.1855 16 G 3.7738 7.8317 105.4445 47.7727 0.0000 174.5205 17 K 4.3290 7.3621 115.9473 56.2462 32.0065 176.5712 18 V 3.9191 7.0496 119.9081 61.0597 32.5965 175.6864 19 N 4.4611 8.2651 125.7474 52.4558 38.8356 174.9845 20 V 3.4570 8.1822 128.5453 66.2543 31.3413 177.4002 21 D 4.3002 7.9062 117.9602 57.2194 40.5376 178.1798 22 E 3.8834 7.8925 118.9762 59.0989 29.6432 179.0671 23 V 3.5764 7.8192 118.3981 65.9249 31.7207 177.8913 24 G 4.1873 7.6216 107.1537 47.3407 0.0000 175.6664 25 G 3.6519 7.8404 107.8413 47.0162 0.0000 175.9034 26 E 3.9327 7.8834 120.4239 59.5488 29.4657 178.7938 27 A 3.9492 8.0905 120.8296 55.0627 18.4181 179.0755 28 L 3.9646 8.0544 117.5091 58.2861 41.9028 179.6970 29 G 3.6213 7.7851 105.4959 47.3998 0.0000 176.1958 30 R 3.8628 8.2157 120.6041 58.7686 29.9933 178.3915 31 L 4.1533 8.0732 120.3616 58.7304 41.8347 179.2374 32 L 3.6507 7.5902 117.7562 57.3467 41.2521 179.6992 33 V 3.6948 7.0801 117.2740 65.5630 31.8913 178.0289 34 V 3.5235 8.1678 117.3306 64.4885 32.6622 175.5678 35 Y 3.8884 8.1370 116.6390 53.7642 38.0852 173.8018 36 P 4.4675 0.0000 0.0000 64.2006 31.8707 177.7295 37 W 4.3610 7.8108 115.3747 59.3834 28.1124 178.0646 38 T 4.1141 7.7619 110.7155 64.0749 68.1011 175.8755 39 Q 4.3569 7.8775 121.0325 57.9490 28.4271 178.4128 40 R 3.7790 7.4702 116.8884 58.7131 29.4001 177.9286 41 F 4.3433 6.9838 115.4778 57.2863 40.4801 175.6338 42 F 4.5816 7.3236 116.2530 56.0072 39.0377 174.8358 43 E 4.2413 7.8934 119.8398 58.3557 30.7512 179.2843 44 S 4.3908 8.4303 113.8194 61.7013 63.5225 176.8544 45 F 4.1182 8.4187 118.5409 58.8072 39.6019 176.8860 46 G 3.9089 8.6623 107.3928 44.1905 0.0000 172.6273 47 D 4.4340 8.5919 121.9993 54.8053 41.1672 176.5947 48 L 4.8854 8.4537 124.0542 54.2066 43.7512 178.1591 49 S 4.4179 8.5967 116.6851 61.2844 62.9651 175.1858 50 T 4.7254 7.4240 109.9837 58.0809 72.9842 172.7021 51 P 4.1892 0.0000 0.0000 66.6046 31.3193 178.0661 52 D 4.3583 8.2185 116.5621 56.8770 40.5054 178.1441 53 A 3.9775 8.1263 121.8638 55.9166 18.7915 179.3297 54 V 3.5995 8.4659 116.5207 66.7292 31.2963 177.8036 55 M 4.1040 8.7944 118.9887 58.0735 32.0806 178.3134 56 G 3.9045 7.9522 102.8404 43.6186 0.0000 173.5875 57 N 4.3426 7.5626 121.3735 53.0995 39.6971 173.5748 58 P 4.2034 0.0000 0.0000 66.2177 31.2808 178.9278 59 K 3.5220 8.3005 118.4431 58.5325 31.6232 179.1614 60 V 3.5709 7.7755 118.1534 66.1707 31.1351 177.8772 61 K 3.9003 7.5211 116.7895 59.4102 32.4126 178.8170 62 A 4.0743 8.0899 121.0781 55.4740 18.3469 179.0157 63 H 4.1979 8.7319 116.8487 59.6047 29.9222 177.4267 64 G 4.2761 8.8661 109.8626 47.1049 0.0000 175.4633 65 K 3.9949 7.8812 121.1487 59.1780 32.2770 179.0415 66 K 3.9545 7.9951 118.2667 59.8070 32.0707 178.6525 67 V 3.5963 7.7686 117.9594 66.9537 31.3541 178.1320 68 L 4.4734 8.0179 117.8613 57.3486 41.5882 179.7215 69 G 3.7167 8.4965 106.2489 47.9067 0.0000 175.6337 70 A 4.1399 8.6594 124.1623 54.6665 18.4727 179.3606 71 F 3.9970 8.8673 119.6755 61.6183 39.5553 177.5607 72 S 4.1323 8.8839 114.9884 61.9056 62.5282 176.2807 73 D 4.5796 8.2673 120.3734 57.5215 40.7358 179.0069 74 G 3.8275 7.9517 106.2050 47.3696 0.0000 175.5978 75 L 3.7565 7.3915 119.8698 57.9382 41.6565 179.2759 76 A 4.0509 7.3913 118.6115 54.0738 19.4236 177.3440 77 H 4.9083 8.1765 114.0223 54.9417 29.1690 174.7269 78 L 4.0246 7.8190 119.6111 56.9407 42.4875 176.4759 79 D 4.9606 7.8627 115.7492 54.9043 41.5709 176.3905 80 N 5.0058 8.3715 117.5084 51.4613 40.3387 176.5686 81 L 3.9802 8.4612 121.2447 58.2225 41.3753 179.2370 82 K 4.1282 8.0301 117.6699 59.2783 32.0752 179.0770 83 G 3.9413 8.0477 104.2784 48.4354 0.0000 174.9569 84 T 3.8047 7.6961 117.0074 66.1663 68.6892 175.9068 85 F 4.4642 7.7067 117.2793 57.5252 38.9992 177.3182 86 A 3.9249 7.6758 123.8312 55.8700 18.2007 180.5857 87 T 3.9455 7.7695 113.5037 66.5218 68.6301 177.1343 88 L 4.1188 7.8715 120.5927 57.5733 41.7100 178.8274 89 S 4.9419 8.9407 115.7460 61.1728 62.2890 176.2711 90 E 3.8806 8.0322 120.3704 59.3095 29.1500 179.2286 91 L 3.9873 7.8142 119.9195 58.3294 42.1156 178.6713 92 H 4.2742 8.5481 116.3105 59.4498 28.3879 176.1325 93 C 3.9789 7.8034 121.4355 61.3343 30.9431 174.8460 94 D 4.4539 8.2149 124.6742 56.6917 40.8530 177.8214 95 K 4.3799 7.7106 115.2896 57.0127 34.9867 177.1695 96 L 4.0583 7.8676 117.4783 55.2721 42.5443 176.4515 97 H 4.1808 7.4512 113.7752 56.7920 26.1615 175.5109 98 V 3.8228 8.1475 118.4802 60.6156 32.7285 174.7043 99 D 4.2443 8.7679 127.5291 53.8182 41.2127 175.0178 100 P 3.0141 0.0000 0.0000 64.3985 31.9282 177.9086 101 E 3.7110 8.2797 119.4458 59.0898 29.3580 178.0261 102 N 4.2367 7.9260 116.0899 56.6959 38.6143 176.9531 103 F 4.4938 7.0762 118.3307 60.8455 38.7733 177.9199 104 R 4.1226 8.1275 117.6246 58.7095 29.9026 178.9192 105 L 3.8540 7.6689 118.4525 57.5217 41.6766 178.8903 106 L 4.1097 8.3759 120.7651 58.3867 42.2095 179.1876 107 G 3.8745 8.1475 105.4567 48.0021 0.0000 175.3859 108 N 4.4557 8.1029 118.5866 56.0995 38.5818 177.5906 109 V 3.6305 8.2035 120.0509 65.9088 31.5947 177.4856 110 L 3.8599 8.3144 120.3919 58.5219 42.0341 179.2497 111 V 3.7570 7.6693 117.3473 66.0394 31.3553 177.9159 112 C 4.1353 7.7740 116.7158 62.6492 28.0380 175.9141 113 V 3.4793 7.8249 119.9762 66.0594 31.0429 177.5387 114 L 3.7624 8.1326 118.6062 58.1260 41.2974 179.6166 115 A 3.9429 7.2337 119.6359 55.2926 18.0398 179.2555 116 H 4.1231 7.8532 115.9832 59.8062 30.0958 176.7910 117 H 3.9420 8.0790 118.7262 58.4549 30.0031 176.3182 118 F 4.4791 8.5450 118.0027 57.1324 39.8738 177.3785 119 G 3.7853 8.4017 109.2418 45.8429 0.0000 176.0131 120 K 4.0359 8.9189 123.6573 58.7752 32.2776 177.0661 121 E 4.2160 8.2582 118.5365 58.9250 29.9377 176.7920 122 F 4.6730 8.5884 122.7374 57.3050 37.9072 175.3191 123 T 4.2708 7.6232 115.7390 59.7352 71.3974 173.5503 124 P 4.1165 0.0000 0.0000 65.7846 31.4445 177.1284 125 P 4.1882 0.0000 0.0000 65.4426 31.1865 178.8121 126 V 3.6787 7.2221 115.7663 65.4047 31.3829 177.9568 127 Q 3.3082 8.0607 119.6459 58.7888 28.8858 177.6272 128 A 3.9630 8.0966 121.9273 55.5718 18.4540 179.3935 129 A 3.9068 7.8756 118.4968 55.6712 18.4291 179.4116 130 Y 4.1052 8.2696 114.8437 60.6936 37.9729 178.4110 131 Q 4.1104 8.7873 119.9713 58.7795 28.7849 178.5425 132 K 3.9104 7.8815 119.1004 59.4636 32.1307 179.4820 133 V 3.4828 7.5819 117.7797 66.0492 31.3848 178.4450 134 V 3.7671 7.9347 111.8412 64.3723 31.4609 178.1420 135 A 4.1528 8.0063 120.5490 55.4721 18.2588 179.7382 136 G 3.7230 8.3987 104.3209 48.0371 0.0000 176.0052 137 V 3.2325 7.7042 119.9250 65.4450 31.5446 177.7872 138 A 3.9993 8.5516 121.0585 55.5290 18.2816 179.2813 139 N 4.2992 8.6294 114.8861 56.5735 38.3960 177.5690 140 A 4.0746 7.7353 121.0224 54.9581 18.7825 179.1621 141 L 4.1259 7.9626 116.2922 56.4134 41.7391 178.4268 142 A 4.6687 7.8485 119.8536 53.2870 19.3048 178.2110 143 H 4.0516 7.8887 116.4961 58.9453 29.8913 175.7750 144 K 4.5159 8.5501 116.1474 56.0260 32.2407 175.9730 145 Y 4.1225 8.5280 118.3192 58.4747 38.3693 175.8410 146 H 4.3308 8.5693 117.7213 56.4545 27.9462 173.7625 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 M 8.16 4.29 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 *3 L 7.81 4.39 0.00 1.62 1.62 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.64 4.25 4.22 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 1.24 0.00 0.00 5 P 0.00 4.22 0.00 2.27 2.35 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 6 E 8.15 3.99 0.00 2.17 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 2.34 2.33 0.00 7 E 7.53 4.08 0.00 2.10 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 2.27 2.30 0.00 8 K 8.01 3.85 0.00 1.99 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.41 7.81 9 S 8.15 4.13 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 10 A 7.83 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 11 V 7.48 3.37 1.82 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 0.56 0.00 0.00 0.20 0.00 0.00 12 T 7.93 3.90 4.49 0.00 0.00 0.00 0.00 0.00 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 13 A 7.73 4.01 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 14 L 7.69 3.94 0.00 1.67 2.01 0.29 0.41 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 15 W 8.46 4.53 0.00 3.80 3.29 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 16 G 7.83 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 17 K 7.36 4.33 0.00 1.94 2.08 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.38 7.81 18 V 7.05 3.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.64 0.00 0.00 19 N 8.27 4.46 0.00 2.75 2.62 0.00 0.00 6.81 7.71 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 20 V 8.18 3.46 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 1.27 0.00 0.00 0.98 0.00 0.00 21 D 7.91 4.30 0.00 2.93 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 22 E 7.89 3.88 0.00 2.24 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 2.24 2.26 0.00 23 V 7.82 3.58 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 0.79 0.00 0.00 0.69 0.00 0.00 24 G 7.62 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 25 G 7.84 3.65 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 0.00 0.00 0.00 26 E 7.88 3.93 0.00 2.20 1.97 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 2.29 2.44 0.00 27 A 8.09 3.95 1.28 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 0.00 0.00 0.00 28 L 8.05 3.96 0.00 1.84 1.70 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.79 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 30 R 8.22 3.86 0.00 2.08 1.93 0.00 3.35 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 31 L 8.07 4.15 0.00 1.93 1.91 1.08 0.88 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 32 L 7.59 3.65 0.00 2.18 1.73 1.13 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.08 3.69 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 0.73 0.00 0.00 0.94 0.00 0.00 34 V 8.17 3.52 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 0.07 0.00 0.00 0.74 0.00 0.00 35 Y 8.14 3.89 0.00 2.41 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 36 P 0.00 4.47 0.00 2.25 2.14 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 37 W 7.81 4.36 0.00 3.53 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.11 4.42 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 1.20 0.00 0.00 39 Q 7.88 4.36 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 40 R 7.47 3.78 0.00 1.68 1.97 0.00 2.87 0.00 0.00 2.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 6.98 4.34 0.00 1.79 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 42 F 7.32 4.58 0.00 2.79 1.82 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 43 E 7.89 4.24 0.00 1.95 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 2.25 2.20 0.00 44 S 8.43 4.39 0.00 4.17 4.22 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 45 F 8.42 4.12 0.00 3.12 3.24 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 46 G 8.66 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 47 D 8.59 4.43 0.00 2.67 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 48 L 8.45 4.89 0.00 1.74 1.62 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.60 4.42 0.00 3.98 4.17 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 50 T 7.42 4.73 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 51 P 0.00 4.19 0.00 2.15 2.14 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 52 D 8.22 4.36 0.00 2.68 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 53 A 8.13 3.98 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 54 V 8.47 3.60 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 1.04 0.00 0.00 0.96 0.00 0.00 55 M 8.79 4.10 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 56 G 7.95 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 57 N 7.56 4.34 0.00 3.00 2.86 0.00 0.00 6.81 7.86 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 58 P 0.00 4.20 0.00 2.21 2.24 0.00 3.71 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 2.00 2.02 0.00 59 K 8.30 3.52 0.00 0.79 0.74 0.00 1.30 0.00 0.00 1.34 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.20 1.21 7.81 60 V 7.78 3.57 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 1.05 0.00 0.00 1.05 0.00 0.00 61 K 7.52 3.90 0.00 1.83 1.82 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 62 A 8.09 4.07 1.26 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 63 H 8.73 4.20 0.00 3.37 3.59 0.00 5.81 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 64 G 8.87 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 0.00 0.00 0.00 0.00 65 K 7.88 3.99 0.00 1.96 2.08 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 66 K 8.00 3.95 0.00 1.93 1.90 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.75 7.81 67 V 7.77 3.60 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 1.15 0.00 0.00 0.88 0.00 0.00 68 L 8.02 4.47 0.00 1.92 1.88 0.99 0.93 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 69 G 8.50 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 70 A 8.66 4.14 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.87 4.00 0.00 3.21 3.27 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 72 S 8.88 4.13 0.00 4.40 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 73 D 8.27 4.58 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 75 L 7.39 3.76 0.00 1.64 1.57 0.20 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.39 4.05 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 77 H 8.18 4.91 0.00 3.11 3.16 0.00 5.82 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.82 4.02 0.00 1.63 1.62 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.86 4.96 0.00 2.63 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 80 N 8.37 5.01 0.00 2.74 2.67 0.00 0.00 6.97 7.29 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 81 L 8.46 3.98 0.00 1.66 1.75 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.03 4.13 0.00 1.75 1.77 0.00 1.45 0.00 0.00 1.29 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 83 G 8.05 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 84 T 7.70 3.80 4.21 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 0.00 0.00 0.00 0.48 0.00 0.00 85 F 7.71 4.46 0.00 3.04 3.02 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 86 A 7.68 3.92 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 87 T 7.77 3.95 4.22 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 1.20 0.00 0.00 88 L 7.87 4.12 0.00 2.08 1.92 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.94 4.94 0.00 4.05 4.10 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 90 E 8.03 3.88 0.00 2.21 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 2.29 2.59 0.00 91 L 7.81 3.99 0.00 1.78 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.55 4.27 0.00 3.68 3.74 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.80 3.98 0.00 1.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.21 4.45 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.71 4.38 0.00 1.75 1.75 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.46 7.81 96 L 7.87 4.06 0.00 1.70 1.62 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.45 4.18 0.00 3.42 3.43 0.00 5.63 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.15 3.82 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 0.21 0.00 0.00 0.32 0.00 0.00 99 D 8.77 4.24 0.00 2.83 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 0.00 100 P 0.00 3.01 0.00 1.82 1.64 0.00 3.25 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 101 E 8.28 3.71 0.00 2.10 1.88 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 2.28 2.38 0.00 102 N 7.93 4.24 0.00 2.52 2.81 0.00 0.00 7.12 8.13 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 0.00 103 F 7.08 4.49 0.00 3.18 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 0.00 104 R 8.13 4.12 0.00 2.05 1.98 0.00 3.11 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 105 L 7.67 3.85 0.00 1.77 1.42 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.38 4.11 0.00 1.85 1.80 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.15 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 0.00 108 N 8.10 4.46 0.00 2.93 2.98 0.00 0.00 6.61 8.23 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 0.00 109 V 8.20 3.63 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 1.16 0.00 0.00 1.22 0.00 0.00 110 L 8.31 3.86 0.00 1.74 1.92 0.86 0.31 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 0.00 111 V 7.67 3.76 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 1.39 0.00 0.00 1.20 0.00 0.00 112 C 7.77 4.14 0.00 3.12 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 0.00 113 V 7.82 3.48 2.15 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 0.95 0.00 0.00 0.94 0.00 0.00 114 L 8.13 3.76 0.00 0.88 0.61 0.29 0.60 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 0.00 115 A 7.23 3.94 1.54 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 0.00 0.00 116 H 7.85 4.12 0.00 3.21 3.49 0.00 5.78 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 0.00 117 H 8.08 3.94 0.00 3.03 3.07 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.55 4.48 0.00 3.23 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 0.00 119 G 8.40 3.79 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 0.00 0.00 0.00 120 K 8.92 4.04 0.00 1.76 1.94 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 121 E 8.26 4.22 0.00 2.29 2.25 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 2.40 2.34 0.00 122 F 8.59 4.67 0.00 2.98 3.04 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 0.00 123 T 7.62 4.27 4.22 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 1.32 0.00 0.00 124 P 0.00 4.12 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.19 0.00 2.12 2.07 0.00 3.49 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 126 V 7.22 3.68 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 1.16 0.00 0.00 0.93 0.00 0.00 127 Q 8.06 3.31 0.00 1.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 128 A 8.10 3.96 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 0.00 129 A 7.88 3.91 1.29 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 0.00 0.00 130 Y 8.27 4.11 0.00 3.38 3.26 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 0.00 131 Q 8.79 4.11 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 132 K 7.88 3.91 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 133 V 7.58 3.48 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 0.97 0.00 0.00 0.73 0.00 0.00 134 V 7.93 3.77 2.25 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 1.13 0.00 0.00 1.20 0.00 0.00 135 A 8.01 4.15 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 0.00 136 G 8.40 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 0.00 137 V 7.70 3.23 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 0.02 0.00 0.00 0.33 0.00 0.00 138 A 8.55 4.00 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 0.00 139 N 8.63 4.30 0.00 2.69 2.91 0.00 0.00 7.00 7.91 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 0.00 140 A 7.74 4.07 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 0.00 141 L 7.96 4.13 0.00 1.55 1.02 -0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.85 4.67 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 0.00 143 H 7.89 4.05 0.00 3.35 3.55 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.55 4.52 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 145 Y 8.53 4.12 0.00 3.11 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 0.00 146 H 8.57 4.33 0.00 3.21 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.