NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2093 8.3144 121.7900 55.6618 32.9784 175.1665 2 E 3.7713 8.7415 127.1840 54.7444 30.0879 174.9083 3 S 4.2826 8.9441 123.1100 58.0382 66.1525 174.6079 4 A 3.9919 8.5746 124.9175 55.3097 18.1813 179.9604 5 A 3.9443 8.0424 118.5098 55.4682 18.4702 179.6386 6 A 4.0123 8.2708 119.3645 55.0376 18.3397 179.7820 7 K 4.1248 8.4434 120.0265 59.0142 32.2647 178.8096 8 F 4.0439 8.5675 121.1733 61.3435 39.3272 176.9358 9 E 4.0212 8.4100 118.2138 59.3673 29.0611 179.2434 10 R 3.8018 8.0301 117.7819 59.7591 30.2673 178.3309 11 Q 4.0232 7.9387 116.1369 57.9597 28.8366 176.4825 12 H 4.6479 7.8343 113.3567 54.8332 30.8040 173.0245 13 M 4.5270 7.7351 119.8171 53.7298 33.4575 176.3277 14 D 4.7289 8.1977 123.1502 52.4999 41.4288 174.4805 15 S 4.1987 8.1108 116.7926 56.9874 63.8426 174.7565 16 G 4.2798 7.9809 115.4041 45.1948 0.0000 171.8814 17 N 4.5720 8.2742 117.0089 55.3090 39.4721 176.4449 18 S 4.7156 7.5683 112.8831 55.8499 63.4744 172.5416 19 P 4.2642 0.0000 0.0000 65.1859 31.5637 178.3410 20 S 4.5043 7.8177 110.5702 57.7701 64.1004 174.1126 21 S 4.1885 7.6305 117.1117 58.5881 62.7884 175.2501 22 S 4.2150 8.7475 120.2481 61.2802 62.8523 176.6284 23 S 4.2493 7.7473 114.9250 60.6899 62.9337 174.6936 24 N 4.6772 8.2181 117.5769 53.8457 39.1644 176.1315 25 Y 4.0781 8.1273 120.5884 61.2023 38.7842 177.5488 26 C 4.1351 8.4168 117.0889 59.9097 37.3149 175.7227 27 N 4.4259 8.2507 117.5723 56.4800 38.1647 177.2660 28 L 3.9368 7.8109 119.9970 58.0603 41.7111 179.5840 29 M 3.6944 7.8989 118.9328 58.5602 31.6829 178.8007 30 M 4.0985 8.2240 119.1973 58.2578 31.9355 178.4794 31 C 4.1565 7.6843 120.0982 62.1295 31.6558 175.0761 32 C 4.0043 8.1461 119.8277 62.5042 31.2117 174.4306 33 R 4.3270 8.3072 116.2588 55.7360 29.6064 176.2617 34 K 3.8668 7.7792 115.7283 58.6405 29.6915 176.2084 35 M 4.7456 8.4388 115.1726 55.3286 32.3220 177.0955 36 T 5.0599 7.6342 107.9021 60.3841 69.5262 172.9226 37 Q 4.7144 8.5309 121.6788 57.1638 29.7985 174.1907 38 G 4.1483 10.7308 114.8963 44.9598 0.0000 172.8546 39 K 4.0093 6.9402 116.5325 54.7666 35.4754 175.3763 40 C 4.8805 8.6125 117.7083 55.9462 40.6397 173.8579 41 K 4.1535 8.7147 127.1164 56.0830 32.4139 174.7595 42 P 4.7329 0.0000 0.0000 64.6959 32.4905 176.6693 43 V 4.9723 7.5993 117.3229 61.2689 34.6493 174.1995 44 N 4.7398 9.2948 125.5274 52.6218 42.7694 172.7824 45 T 4.6944 7.7807 122.1979 61.7804 70.5552 173.7248 46 F 4.7416 8.9603 125.0274 55.7032 41.7811 174.7218 47 V 4.6064 8.3932 121.9601 61.6506 33.1560 174.8462 48 H 4.8921 9.1228 124.0300 55.8342 29.3571 175.2207 49 E 4.3096 8.0383 118.2964 55.0658 30.6284 176.6646 50 S 4.1403 8.5206 113.8524 58.9835 63.9806 174.8041 51 L 3.9632 8.6846 128.8636 58.3589 41.8247 179.1697 52 A 4.0370 7.9903 120.1608 55.3582 18.1285 179.2175 53 D 4.3315 7.8832 115.9232 57.3188 41.3334 178.7590 54 V 3.7532 7.8772 118.8971 65.9556 31.5995 178.1887 55 K 3.9069 8.6331 118.3979 59.5011 31.7763 179.0578 56 A 3.9902 8.1193 120.8829 55.0191 18.1067 179.6457 57 V 3.6733 7.6412 116.4285 66.3732 31.2794 176.9937 58 C 3.6810 7.8631 114.2653 57.7606 39.9224 174.0861 59 S 4.6174 7.6513 114.3433 57.9060 63.9641 174.8077 60 Q 4.5655 7.6155 121.6655 56.1038 27.6088 177.0162 61 K 4.2540 8.6494 128.7382 56.8267 32.9891 176.4561 62 K 4.0190 8.6192 127.7747 56.6626 32.5267 176.9322 63 V 4.5039 7.9545 116.6769 59.7659 35.9824 175.3596 64 T 3.9866 8.3542 120.1624 63.4082 69.2457 175.6372 65 C 4.6644 8.6302 123.1319 56.5608 40.9617 174.9579 66 K 3.7502 9.2714 122.9053 59.7123 31.6971 177.8937 67 N 4.5903 8.1094 112.9788 52.7329 37.4235 175.9106 68 G 3.9331 8.1305 108.0630 45.5753 0.0000 174.3185 69 Q 4.2549 8.3202 119.2418 56.2861 29.2103 176.1814 70 T 4.7614 8.2160 108.3328 61.7561 69.3241 173.7143 71 N 5.0756 8.0824 117.0480 53.9236 38.8156 174.2213 72 C 5.3692 8.0934 115.9394 57.1759 44.2196 172.2632 73 Y 5.1646 8.8486 117.8304 56.6170 41.9755 173.7863 74 Q 5.1822 9.3849 125.5112 53.9819 31.5133 174.8949 75 S 4.6287 8.9143 122.2612 58.2626 63.1073 174.6996 76 K 4.0929 9.6937 123.4651 59.3385 32.5425 177.0370 77 S 5.0473 7.6386 113.1883 56.0469 65.9145 174.3224 78 T 4.0780 8.2723 111.3401 62.2317 69.6353 173.5166 79 M 5.0469 8.9715 121.8824 53.4355 36.7586 175.0544 80 R 4.6229 9.4845 121.7035 56.1915 31.2605 175.8739 81 I 5.1467 8.9412 117.1631 59.4167 42.0626 174.2238 82 T 5.0997 9.0281 119.2044 61.8680 71.8650 172.6743 83 D 4.9161 9.2899 127.2101 53.5073 43.0351 174.1783 84 C 5.6291 9.2324 123.6992 55.3738 40.6373 173.1803 85 R 5.3810 8.8660 122.0837 54.0015 33.8251 174.8101 86 E 4.1681 9.0696 123.1189 56.9775 30.8654 177.4528 87 T 4.1744 8.5944 114.2727 60.6949 69.8957 175.8755 88 G 3.7678 8.4931 110.2833 47.5868 0.0000 174.5621 89 S 4.4256 7.4186 114.4923 59.2465 63.7888 174.8184 90 S 3.9585 7.3695 114.8990 58.4377 62.4543 173.6277 91 K 4.3755 8.7034 128.2074 54.9302 34.4460 174.3684 92 Y 4.2945 8.8135 127.5110 57.9440 38.9225 174.0990 93 P 3.1395 0.0000 0.0000 62.7235 32.1378 176.9071 94 N 4.6657 7.7907 119.7102 52.1358 37.0206 173.3831 95 C 4.5699 7.8764 117.1580 56.7157 42.9269 173.3416 96 A 4.9755 8.5464 124.4927 50.5435 22.1390 174.5926 97 Y 5.1148 9.3992 119.9423 55.9129 41.7864 175.1961 98 K 4.4116 9.2603 125.0688 56.0748 33.8960 175.3374 99 T 5.0977 8.5874 124.0662 62.5598 70.1837 174.1818 100 T 4.5963 8.8754 122.8761 61.8810 72.1460 172.9360 101 Q 4.9029 8.7717 126.0305 54.9954 30.0344 175.5775 102 V 4.6183 8.7089 116.2525 59.8943 37.1741 173.9159 103 E 5.5160 8.6035 120.3488 54.0250 31.5963 175.9026 104 K 4.7379 8.3761 122.4515 54.8299 37.4088 175.3857 105 H 4.7338 9.0605 119.4857 56.0286 29.8937 174.8060 106 I 4.8315 8.6911 115.5761 59.3443 40.6009 174.3678 107 I 4.9126 8.2703 124.6976 59.6972 39.9445 175.0669 108 V 4.7212 8.5631 119.4145 59.2308 35.9295 174.7163 109 A 4.8594 8.7850 125.3454 51.6992 20.1426 175.7178 110 C 5.4559 9.2795 119.6051 55.2796 42.8002 173.7118 111 G 4.0888 9.2349 109.5270 46.1112 0.0000 172.9918 112 G 4.0654 9.1175 107.7522 44.5573 0.0000 172.3680 113 K 4.7003 8.0729 116.6914 53.7070 34.7392 175.0857 114 P 4.2923 0.0000 0.0000 62.4091 31.8687 176.1618 115 S 4.6842 8.3067 115.7096 57.9480 62.6215 173.4996 116 V 4.6146 8.5336 119.8548 58.4591 36.3023 173.4129 117 P 4.8024 0.0000 0.0000 63.4008 31.0687 176.8694 118 V 4.4861 9.1678 116.2606 61.3819 34.2381 175.3984 119 H 4.9131 8.0055 119.7369 54.5471 33.5566 171.5544 120 F 4.5016 8.6738 127.7462 57.4015 39.6100 174.3112 121 D 4.6410 8.4035 126.6474 56.0546 42.0536 175.8138 122 A 4.7366 6.8973 117.1860 51.3851 22.5053 174.7942 123 S 5.3335 8.8349 113.3105 56.6158 66.5422 174.5848 124 V 4.1489 8.7647 120.4920 62.1458 31.5472 174.9351 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 K 8.31 4.21 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 2 E 8.74 3.77 0.00 2.13 1.84 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 2.40 2.37 0.00 3 S 8.94 4.28 0.00 4.10 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 4 A 8.57 3.99 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 5 A 8.04 3.94 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.27 4.01 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 7 K 8.44 4.12 0.00 2.00 2.03 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.57 4.04 0.00 3.18 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 9 E 8.41 4.02 0.00 2.27 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 2.51 2.68 0.00 10 R 8.03 3.80 0.00 1.75 2.08 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 11 Q 7.94 4.02 0.00 1.71 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 12 H 7.83 4.65 0.00 1.91 2.73 0.00 5.63 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.74 4.53 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 14 D 8.20 4.73 0.00 2.52 2.49 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 0.00 15 S 8.11 4.20 0.00 3.91 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 16 G 7.98 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 17 N 8.27 4.57 0.00 2.73 2.89 0.00 0.00 6.67 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 18 S 7.57 4.72 0.00 3.82 3.74 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 19 P 0.00 4.26 0.00 2.17 2.26 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 20 S 7.82 4.50 0.00 3.99 4.01 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 21 S 7.63 4.19 0.00 3.84 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 22 S 8.75 4.21 0.00 4.01 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.25 0.00 3.98 4.07 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 24 N 8.22 4.68 0.00 3.05 2.90 0.00 0.00 6.44 7.06 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 25 Y 8.13 4.08 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.42 4.14 0.00 3.15 3.08 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 27 N 8.25 4.43 0.00 2.93 2.93 0.00 0.00 7.14 6.74 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 28 L 7.81 3.94 0.00 1.66 1.58 0.89 0.80 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 29 M 7.90 3.69 0.00 0.91 1.31 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.57 0.00 30 M 8.22 4.10 0.00 1.66 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.33 0.00 31 C 7.68 4.16 0.00 3.04 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 32 C 8.15 4.00 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 33 R 8.31 4.33 0.00 1.98 2.01 0.00 3.55 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 34 K 7.78 3.87 0.00 1.94 1.93 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.55 7.81 35 M 8.44 4.75 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 36 T 7.63 5.06 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 1.42 0.00 0.00 37 Q 8.53 4.71 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 38 G 10.73 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 6.94 4.01 0.00 1.69 1.63 0.00 1.44 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 40 C 8.61 4.88 0.00 3.14 3.16 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 0.00 0.00 0.00 0.00 41 K 8.71 4.15 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.43 7.81 42 P 0.00 4.73 0.00 2.15 2.10 0.00 3.91 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 2.13 1.94 0.00 43 V 7.60 4.97 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 0.77 0.00 0.00 0.97 0.00 0.00 44 N 9.29 4.74 0.00 2.63 2.27 0.00 0.00 6.76 7.55 0.00 0.00 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 T 7.78 4.69 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 0.85 0.00 0.00 46 F 8.96 4.74 0.00 3.00 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 47 V 8.39 4.61 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 0.88 0.00 0.00 1.07 0.00 0.00 48 H 9.12 4.89 0.00 3.17 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.04 4.31 0.00 1.99 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 2.35 2.27 0.00 50 S 8.52 4.14 0.00 3.89 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 51 L 8.68 3.96 0.00 1.81 1.67 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 4.04 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 53 D 7.88 4.33 0.00 2.84 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 54 V 7.88 3.75 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 1.08 0.00 0.00 1.00 0.00 0.00 55 K 8.63 3.91 0.00 1.96 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.57 7.81 56 A 8.12 3.99 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 57 V 7.64 3.67 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 1.13 0.00 0.00 1.03 0.00 0.00 58 C 7.86 3.68 0.00 2.88 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 59 S 7.65 4.62 0.00 3.87 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 60 Q 7.62 4.57 0.00 2.24 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 61 K 8.65 4.25 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.40 7.81 62 K 8.62 4.02 0.00 1.53 1.44 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.85 1.42 7.81 63 V 7.95 4.50 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 0.60 0.00 0.00 0.85 0.00 0.00 64 T 8.35 3.99 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 1.20 0.00 0.00 65 C 8.63 4.66 0.00 3.15 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 66 K 9.27 3.75 0.00 1.73 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.59 7.81 67 N 8.11 4.59 0.00 2.79 2.90 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.13 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 69 Q 8.32 4.25 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 70 T 8.22 4.76 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 1.23 0.00 0.00 71 N 8.08 5.08 0.00 2.96 3.03 0.00 0.00 6.07 7.68 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 72 C 8.09 5.37 0.00 3.03 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 73 Y 8.85 5.16 0.00 2.88 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 74 Q 9.38 5.18 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.91 4.63 0.00 3.92 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 76 K 9.69 4.09 0.00 1.86 2.01 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.44 7.81 77 S 7.64 5.05 0.00 3.76 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 78 T 8.27 4.08 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 1.00 0.00 0.00 79 M 8.97 5.05 0.00 1.93 1.99 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 2.52 2.50 0.00 80 R 9.48 4.62 0.00 1.83 1.91 0.00 3.06 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 81 I 8.94 5.15 1.96 0.00 0.00 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 1.38 0.87 1.06 0.00 0.00 82 T 9.03 5.10 4.52 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 0.00 0.00 0.00 1.40 0.00 0.00 83 D 9.29 4.92 0.00 2.70 2.56 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 84 C 9.23 5.63 0.00 2.90 2.80 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 85 R 8.87 5.38 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 86 E 9.07 4.17 0.00 1.86 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 1.77 2.07 0.00 87 T 8.59 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 1.22 0.00 0.00 88 G 8.49 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 89 S 7.42 4.43 0.00 3.85 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 90 S 7.37 3.96 0.00 3.84 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 91 K 8.70 4.38 0.00 1.80 1.59 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.81 4.29 0.00 2.96 2.91 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 93 P 0.00 3.14 0.00 1.74 1.07 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 94 N 7.79 4.67 0.00 2.89 2.75 0.00 0.00 7.01 7.18 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 95 C 7.88 4.57 0.00 3.10 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 96 A 8.55 4.98 1.11 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 0.00 0.00 97 Y 9.40 5.11 0.00 2.95 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 98 K 9.26 4.41 0.00 1.89 1.73 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.52 7.81 99 T 8.59 5.10 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 1.31 0.00 0.00 100 T 8.88 4.60 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 1.23 0.00 0.00 101 Q 8.77 4.90 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 102 V 8.71 4.62 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 0.73 0.00 0.00 0.96 0.00 0.00 103 E 8.60 5.52 0.00 1.80 1.84 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 2.20 2.14 0.00 104 K 8.38 4.74 0.00 1.71 1.87 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 105 H 9.06 4.73 0.00 3.20 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.69 4.83 1.65 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.23 1.14 0.00 0.00 107 I 8.27 4.91 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.83 0.00 0.00 108 V 8.56 4.72 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 0.44 0.00 0.00 0.91 0.00 0.00 109 A 8.78 4.86 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 0.00 110 C 9.28 5.46 0.00 2.87 2.91 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 0.00 111 G 9.23 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.12 4.07 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 0.00 0.00 0.00 113 K 8.07 4.70 0.00 1.69 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.43 7.81 114 P 0.00 4.29 0.00 2.02 1.97 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 115 S 8.31 4.68 0.00 3.85 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 0.00 116 V 8.53 4.61 2.07 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 0.74 0.00 0.00 0.98 0.00 0.00 117 P 0.00 4.80 0.00 1.95 2.00 0.00 3.61 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 2.03 2.10 0.00 118 V 9.17 4.49 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 0.73 0.00 0.00 1.00 0.00 0.00 119 H 8.01 4.91 0.00 3.21 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.67 4.50 0.00 3.04 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 0.00 121 D 8.40 4.64 0.00 2.65 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 0.00 122 A 6.90 4.74 1.20 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 0.00 123 S 8.83 5.33 0.00 4.03 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 0.00 124 V 8.76 4.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00