NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6053 8.3649 120.1936 54.4467 42.4830 175.3236 4 M 4.1193 8.3518 123.5289 56.1338 32.5609 176.4523 5 M 4.2273 9.1086 118.9106 57.4352 33.3207 175.8550 6 D 4.9326 8.0145 116.3178 54.2810 41.4685 175.0908 7 L 4.9258 7.6120 118.6185 51.8743 45.3281 174.5958 8 P 4.4491 0.0000 0.0000 62.8525 31.7523 177.0701 9 R 5.0165 8.1042 119.0366 53.2646 32.9620 175.0326 10 S 4.3479 8.6458 121.0882 58.4863 64.0899 174.0580 11 R 4.8121 8.6297 124.2170 56.1485 30.2804 175.7076 12 I 4.7394 8.6086 116.3267 59.7980 42.1346 172.9431 13 N 5.1776 8.5188 118.2309 49.9591 40.6880 174.8963 14 A 4.1846 9.3806 119.9985 55.7333 17.9809 179.9100 15 G 3.8770 8.2849 102.1961 48.2395 0.0000 174.6664 16 M 5.1863 8.2698 120.8117 56.3027 32.3467 178.5963 17 L 4.1109 7.8279 119.2132 57.8421 41.5931 179.0168 18 A 4.1778 7.9667 119.2061 53.8354 19.1179 177.6921 19 Q 4.3377 9.4361 114.7029 56.2354 29.3479 176.6442 20 F 4.7353 7.6686 117.7183 56.7722 39.7530 175.1540 21 I 3.8326 7.7293 121.7023 62.9191 37.1796 175.8996 22 D 4.6832 8.9782 123.6587 54.3445 40.5471 173.2186 23 K 4.8815 8.0579 117.4168 54.1054 34.9991 173.7701 24 P 4.8989 0.0000 0.0000 63.0676 32.7398 175.6498 25 V 5.0107 9.7216 117.6255 59.6681 36.9847 173.9259 26 C 5.1541 9.1350 120.7002 58.1233 34.2043 172.0567 27 F 4.9629 9.4354 130.2554 56.4615 40.8942 174.3963 28 V 4.5873 7.0107 123.0203 61.1460 33.7128 174.6544 29 G 4.0247 8.5255 113.3578 45.7289 0.0000 171.3413 30 R 4.9458 8.5702 120.5609 54.6241 31.6533 175.3875 31 L 4.4555 8.5142 129.1344 55.7466 42.1736 174.5405 32 E 4.6189 8.9553 125.1282 57.1761 31.5262 175.8683 33 K 4.7266 7.8636 117.3260 54.6357 36.8902 174.3540 34 I 4.7806 8.3005 124.3080 59.0823 39.8107 174.4274 35 H 4.0944 9.0150 129.9143 56.1738 30.3243 173.3578 36 P 4.4080 0.0000 0.0000 66.1226 31.2955 180.0434 37 T 4.1196 8.3854 104.9490 63.7342 68.6653 175.5335 38 G 3.8616 7.9969 109.9628 47.3361 0.0000 176.1186 39 K 4.6052 7.6460 119.1038 56.4511 35.2636 176.5922 40 M 5.2161 8.2193 121.7503 55.1657 34.2562 173.1956 41 F 5.5775 8.0761 121.3646 54.8754 41.8429 174.1471 42 I 5.1107 8.8368 111.6814 59.1338 40.7287 174.4337 43 L 5.4640 9.1477 122.9962 53.1258 46.2057 175.5340 44 S 5.2128 9.1114 118.2746 56.7420 64.6602 174.6921 45 D 4.8929 9.0670 126.4627 52.8528 40.1905 176.6089 46 G 3.8080 8.5744 106.8643 46.9877 0.0000 173.8776 47 E 4.4813 9.9955 117.7868 55.7226 30.1741 176.1115 48 G 4.0833 8.1092 107.9954 45.5517 0.0000 174.6921 49 K 4.1330 8.0377 118.0789 57.0623 33.3850 175.4794 50 N 5.4809 8.7929 119.4120 51.5750 41.0528 174.2607 51 G 3.7576 9.9321 111.1053 44.6058 0.0000 172.4066 52 T 4.7309 8.0878 120.2902 61.7856 70.4855 173.4309 53 I 4.3812 7.9317 128.6631 59.9521 38.8076 174.8899 54 E 4.8243 9.0256 127.0679 54.4496 32.1173 174.8579 55 L 5.0080 8.7570 123.8643 53.0959 43.7476 177.9392 56 M 4.0646 8.9122 122.8309 57.7120 32.3369 176.3974 57 E 4.7862 7.5331 116.7133 53.2880 33.7580 173.4295 58 P 4.6213 0.0000 0.0000 62.8183 31.7433 176.2134 59 L 4.1666 8.3206 121.8227 55.0446 41.4436 176.1272 60 D 4.4443 8.1526 125.1814 56.0209 41.3602 179.5195 61 E 4.3018 7.8766 122.8147 55.7374 32.2490 175.5718 62 E 4.3106 8.4263 118.8305 55.2589 29.7337 176.5797 63 I 4.0231 7.9989 125.2734 59.7762 38.1760 175.3775 64 S 4.9736 8.7121 120.4828 59.3483 63.9845 178.7795 65 G 3.8371 7.8525 110.4937 44.7063 0.0000 172.0484 66 I 4.2726 7.6843 118.4441 61.5349 38.1618 175.8546 67 V 4.6959 9.0154 126.2483 60.9524 35.5264 173.4447 68 E 4.9914 9.1854 127.8661 54.4392 31.8196 174.6531 69 V 5.1118 9.1741 127.0790 61.1811 34.8728 174.2794 70 V 4.8935 8.6384 125.7589 61.0426 34.7866 175.1066 71 G 4.3738 8.1834 112.0675 46.6027 0.0000 170.8445 72 R 5.2756 7.5675 119.5165 53.9946 32.7206 176.0872 73 V 4.2810 8.7593 127.2405 63.5009 32.6366 176.2081 74 T 4.5440 9.9982 118.3747 60.4926 69.9997 175.4559 75 A 4.0406 8.3727 123.8278 54.7689 18.4362 177.8896 76 K 4.3369 7.9794 113.9466 56.8315 32.4949 176.1758 77 A 3.7611 7.5106 118.9745 53.6702 16.0275 177.2751 78 T 4.6334 8.3759 108.5159 61.2255 73.2841 172.6348 79 I 4.6785 7.8820 121.5929 59.3788 39.5607 175.3949 80 L 4.6083 8.5857 130.8192 54.1700 42.4508 175.2224 81 C 4.8092 8.9999 128.9848 59.7972 31.2402 173.2754 82 T 4.5096 8.7881 117.7307 63.4406 69.7344 174.9471 83 S 4.8303 7.9790 114.4954 57.9779 65.8124 173.7472 84 Y 5.6074 7.9731 118.1356 56.0765 40.7182 174.0833 85 V 4.6338 9.0521 119.6316 60.2682 35.5890 174.0254 86 Q 4.9441 8.6257 120.9214 54.1148 30.0749 175.6944 87 F 4.2670 8.7319 123.3251 57.5344 39.8648 175.4552 88 K 4.2275 8.4074 122.1868 56.2868 32.5272 176.7121 89 E 4.9010 8.8953 120.9411 54.5551 31.0785 177.0589 90 D 4.4912 8.2522 118.8923 55.3227 39.5455 176.7429 91 S 4.4704 8.0128 112.7430 59.5802 63.6273 173.6417 92 H 4.9941 7.6084 115.6747 53.1002 32.5642 170.6718 93 P 4.8230 0.0000 0.0000 62.0529 31.9275 175.8811 94 F 4.4964 8.8647 125.7887 58.2510 39.6576 175.3695 95 D 4.4129 8.3986 127.8542 53.2557 40.2617 175.8396 96 L 3.7203 7.9607 128.3565 57.3967 42.2553 178.4237 97 G 3.5859 7.9725 105.4437 47.1194 0.0000 175.5679 98 L 3.8613 8.6384 123.0805 58.1884 42.0950 177.9971 99 Y 4.1706 7.7841 119.6010 61.0652 38.6385 177.9047 100 N 4.0223 7.9515 117.4248 56.7274 39.0126 176.7153 101 E 3.9433 8.0918 119.7579 59.0215 29.3691 179.2688 102 A 3.8533 7.8143 120.9609 55.1942 18.3656 179.6328 103 V 3.0724 7.4664 116.9629 66.2502 31.3173 178.3734 104 K 4.0836 7.9435 117.8096 59.1163 31.9141 179.5052 105 I 3.9139 7.8598 120.4076 64.3265 36.8059 178.1076 106 I 3.5876 8.1635 120.5079 65.1360 37.0390 177.9291 107 H 4.3907 7.6516 114.9012 58.7607 28.5933 177.3794 108 D 4.3029 8.3314 120.1165 55.6510 41.9983 176.5374 109 F 5.5523 8.3692 116.9666 54.2166 39.6579 174.1140 110 P 4.5244 0.0000 0.0000 65.4433 31.9691 179.1697 111 Q 4.1310 8.0464 116.5893 58.0424 28.6834 177.1187 112 F 5.1901 7.9932 116.3702 57.3976 39.5727 175.8576 113 Y 4.6776 7.5067 118.0824 56.3923 40.6658 171.7109 114 P 4.6206 0.0000 0.0000 62.5765 32.4324 177.2081 115 L 4.6906 8.2566 120.7992 54.0373 43.2286 175.7117 116 G 4.3258 7.9109 110.1607 45.7173 0.0000 174.0696 117 I 3.5558 8.4991 121.4456 61.9063 36.8368 173.2609 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 3 D 8.36 4.61 0.00 2.67 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 4 M 8.35 4.12 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 5 M 9.11 4.23 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 6 D 8.01 4.93 0.00 2.69 2.64 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 7 L 7.61 4.93 0.00 1.76 1.58 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.45 0.00 2.17 2.03 0.00 3.66 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 2.19 2.13 0.00 9 R 8.10 5.02 0.00 1.69 1.89 0.00 3.32 0.00 0.00 2.68 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 10 S 8.65 4.35 0.00 3.47 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 11 R 8.63 4.81 0.00 1.69 1.87 0.00 3.29 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 12 I 8.61 4.74 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.30 0.00 0.00 13 N 8.52 5.18 0.00 3.20 2.99 0.00 0.00 5.78 7.17 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 14 A 9.38 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 16 M 8.27 5.19 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 17 L 7.83 4.11 0.00 1.85 1.71 0.74 0.55 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 18 A 7.97 4.18 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 19 Q 9.44 4.34 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 20 F 7.67 4.74 0.00 3.10 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 21 I 7.73 3.83 1.86 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 1.53 0.65 0.94 0.00 0.00 22 D 8.98 4.68 0.00 2.79 2.82 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 23 K 8.06 4.88 0.00 2.16 1.95 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.40 7.81 24 P 0.00 4.90 0.00 2.17 2.24 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.05 0.00 25 V 9.72 5.01 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 0.74 0.00 0.00 0.98 0.00 0.00 26 C 9.13 5.15 0.00 3.01 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 27 F 9.44 4.96 0.00 3.18 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 28 V 7.01 4.59 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 0.18 0.00 0.00 0.54 0.00 0.00 29 G 8.53 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 0.00 0.00 0.00 30 R 8.57 4.95 0.00 1.90 1.80 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 31 L 8.51 4.46 0.00 1.55 1.49 0.97 0.49 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 32 E 8.96 4.62 0.00 2.03 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 2.23 2.31 0.00 33 K 7.86 4.73 0.00 1.72 1.64 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.45 7.81 34 I 8.30 4.78 1.94 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 1.28 0.96 0.90 0.00 0.00 35 H 9.02 4.09 0.00 3.46 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.90 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 4.41 0.00 2.16 2.05 0.00 3.07 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 37 T 8.39 4.12 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 1.26 0.00 0.00 38 G 8.00 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.65 4.61 0.00 1.83 2.09 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.32 1.37 7.81 40 M 8.22 5.22 0.00 1.91 1.81 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 2.48 2.19 0.00 41 F 8.08 5.58 0.00 3.24 3.12 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 42 I 8.84 5.11 1.99 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 1.51 0.81 0.90 0.00 0.00 43 L 9.15 5.46 0.00 1.90 1.79 1.27 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.11 5.21 0.00 3.89 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 45 D 9.07 4.89 0.00 2.75 3.11 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 46 G 8.57 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 0.00 0.00 0.00 47 E 10.00 4.48 0.00 1.90 2.01 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 2.50 2.23 0.00 48 G 8.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.04 4.13 0.00 2.04 1.81 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.52 7.81 50 N 8.79 5.48 0.00 2.57 2.72 0.00 0.00 6.75 7.65 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 51 G 9.93 3.76 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 0.00 0.00 0.00 52 T 8.09 4.73 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 1.09 0.00 0.00 53 I 7.93 4.38 0.63 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.10 0.15 0.00 0.00 54 E 9.03 4.82 0.00 1.76 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 0.00 2.13 2.12 0.00 55 L 8.76 5.01 0.00 1.72 1.84 0.90 1.12 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 56 M 8.91 4.06 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 57 E 7.53 4.79 0.00 1.83 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 2.26 2.40 0.00 58 P 0.00 4.62 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 L 8.32 4.17 0.00 1.72 1.85 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.15 4.44 0.00 2.70 2.58 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 61 E 7.88 4.30 0.00 2.08 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 2.30 2.43 0.00 62 E 8.43 4.31 0.00 1.96 1.92 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 2.25 2.31 0.00 63 I 8.00 4.02 1.38 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.07 0.41 0.00 0.00 64 S 8.71 4.97 0.00 4.03 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 65 G 7.85 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 0.00 0.00 0.00 66 I 7.68 4.27 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 1.35 1.48 0.44 0.00 0.00 67 V 9.02 4.70 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 1.01 0.00 0.00 0.87 0.00 0.00 68 E 9.19 4.99 0.00 1.84 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 2.30 2.25 0.00 69 V 9.17 5.11 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 1.11 0.00 0.00 1.21 0.00 0.00 70 V 8.64 4.89 2.16 0.00 0.00 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 1.01 0.00 0.00 71 G 8.18 4.37 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 0.00 72 R 7.57 5.28 0.00 1.89 1.78 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 73 V 8.76 4.28 2.41 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 1.10 0.00 0.00 1.06 0.00 0.00 74 T 10.00 4.54 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 1.22 0.00 0.00 75 A 8.37 4.04 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 76 K 7.98 4.34 0.00 1.73 1.80 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 77 A 7.51 3.76 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 78 T 8.38 4.63 4.30 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 1.19 0.00 0.00 79 I 7.88 4.68 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.89 0.00 0.00 80 L 8.59 4.61 0.00 1.78 1.58 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 81 C 9.00 4.81 0.00 3.00 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 82 T 8.79 4.51 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 1.24 0.00 0.00 83 S 7.98 4.83 0.00 3.85 3.97 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 84 Y 7.97 5.61 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.05 4.63 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 1.08 0.00 0.00 0.93 0.00 0.00 86 Q 8.63 4.94 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 87 F 8.73 4.27 0.00 2.75 2.76 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 88 K 8.41 4.23 0.00 1.65 1.72 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.45 7.81 89 E 8.90 4.90 0.00 2.02 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 2.42 2.32 0.00 90 D 8.25 4.49 0.00 2.74 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 91 S 8.01 4.47 0.00 3.79 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 92 H 7.61 4.99 0.00 3.21 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.82 0.00 2.23 2.11 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 94 F 8.86 4.50 0.00 3.05 3.13 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 95 D 8.40 4.41 0.00 2.69 2.43 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 96 L 7.96 3.72 0.00 1.64 1.55 0.91 1.01 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 97 G 7.97 3.59 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 0.00 0.00 0.00 98 L 8.64 3.86 0.00 1.87 1.82 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.78 4.17 0.00 2.88 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 0.00 100 N 7.95 4.02 0.00 3.00 2.86 0.00 0.00 7.26 7.64 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 0.00 101 E 8.09 3.94 0.00 2.12 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 2.45 0.00 102 A 7.81 3.85 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 0.00 103 V 7.47 3.07 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 0.93 0.00 0.00 0.08 0.00 0.00 104 K 7.94 4.08 0.00 1.98 1.83 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 105 I 7.86 3.91 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.10 1.01 0.00 0.00 106 I 8.16 3.59 1.73 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 0.12 -0.17 0.63 0.00 0.00 107 H 7.65 4.39 0.00 3.10 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.33 4.30 0.00 2.32 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 5.55 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.26 2.38 0.00 3.62 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 111 Q 8.05 4.13 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 112 F 7.99 5.19 0.00 3.32 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 0.00 113 Y 7.51 4.68 0.00 3.04 2.89 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 0.00 114 P 0.00 4.62 0.00 2.08 2.00 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 115 L 8.26 4.69 0.00 1.72 1.73 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.91 4.33 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 0.00 0.00 0.00 117 I 8.50 3.56 1.89 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 1.29 0.47 0.92 0.00 0.00