NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7343 8.3493 120.5477 53.5681 42.4175 175.6592 2 S 4.1437 7.4931 108.1578 57.0205 65.5098 175.0772 3 K 4.3261 8.0572 126.7820 53.5936 32.3892 173.1541 4 P 4.2956 0.0000 0.0000 60.7354 31.6515 175.2514 5 P 4.4318 0.0000 0.0000 62.3873 32.1859 175.2350 6 Y 4.3623 7.9490 118.8245 55.9434 40.8928 175.2445 7 S 4.3296 8.1737 115.7861 58.6967 63.8096 174.9363 8 Y 4.5432 8.3707 117.9706 59.5119 37.9568 177.0481 9 A 4.6052 7.9900 121.3121 52.7233 20.5484 178.1913 10 Q 4.4752 8.1467 114.2398 57.9692 29.8008 177.6120 11 L 3.8673 7.5066 118.2886 57.6969 41.4193 179.0849 12 I 3.9552 7.5645 118.7046 63.7457 37.6684 177.2424 13 V 3.8752 7.9970 119.7242 65.5448 31.0953 177.6005 14 Q 4.2851 8.1290 119.6612 59.1365 28.6403 178.4713 15 A 4.2101 7.5298 122.2661 54.6336 18.5615 179.3810 16 I 3.7345 7.7495 117.0731 64.6631 38.0855 178.1890 17 T 4.1502 8.0109 113.7554 65.7438 68.3580 175.0700 18 M 4.3180 7.4528 117.5148 55.6519 33.1414 176.0920 19 A 4.2463 7.6066 122.5639 51.2555 19.2127 175.3378 20 P 4.8626 0.0000 0.0000 59.9711 29.6771 175.9575 21 D 5.6102 8.8296 135.0000 54.2144 37.7942 178.5135 22 K 4.1986 7.6404 119.8450 56.7668 31.1590 174.4397 23 Q 5.1724 8.3521 114.3205 53.8942 32.5193 174.7042 24 L 4.6609 8.5932 123.4771 53.7766 44.6905 175.4083 25 T 3.9355 8.0180 116.0404 60.4980 70.1649 175.5976 26 L 3.7229 8.4698 122.3578 58.4833 40.8230 177.9583 27 N 3.1400 7.7006 115.2764 53.6148 39.4742 177.1391 28 G 3.5217 7.7054 106.1806 47.8401 0.0000 175.5360 29 I 3.7571 6.8527 120.0242 64.5061 36.7460 177.9215 30 Y 5.0142 7.6191 117.3243 61.8230 37.5323 178.4815 31 T 4.4089 8.0043 115.1708 64.5917 68.2718 175.1506 32 H 4.2978 7.8979 120.4138 58.2250 30.7731 176.3743 33 I 4.0251 8.1581 120.6382 64.0058 37.5186 178.0301 34 T 4.7834 7.9140 111.5856 64.1116 68.9965 176.3244 35 K 3.7401 7.0952 122.6010 58.5468 32.1703 176.8126 36 N 4.4320 7.2877 113.4861 53.8274 39.7194 175.1721 37 Y 5.0024 7.2290 115.9352 55.9766 38.2445 173.2465 38 P 4.7433 0.0000 0.0000 63.1160 32.1014 178.6666 39 Y 3.9049 8.1187 121.6174 61.1694 37.8889 176.2747 40 Y 4.2336 8.3810 117.1857 61.2357 37.9553 176.3590 41 R 4.4351 7.4980 118.6564 57.5819 28.5690 175.1760 42 T 4.2616 8.0628 122.0100 63.6166 76.1284 175.7107 43 A 4.5044 7.9356 120.1898 52.9806 20.3443 175.9986 44 D 4.8509 7.5773 118.4602 54.0051 40.4105 175.2742 45 K 4.1399 8.2783 127.3499 55.9943 32.3864 177.8448 46 G 3.7536 7.3592 106.8333 45.2770 0.0000 176.1275 47 W 5.1190 8.4746 120.5344 57.8061 29.4894 177.8787 48 Q 2.0000 6.6871 111.5722 59.3242 27.6830 178.1051 49 N 4.9807 8.4073 126.7925 55.7290 39.3397 176.0285 50 S 3.9468 7.5443 114.6300 61.2241 62.1881 175.9189 51 I 4.3719 7.8526 123.7749 64.0542 36.9908 178.0151 52 R 3.3486 7.4628 118.1504 59.6809 29.3770 177.8426 53 H 4.1085 7.9665 118.4893 59.1088 30.1636 176.0369 54 N 4.7337 8.1295 115.1617 53.0622 37.0669 176.2830 55 L 3.5068 7.3521 120.2219 56.9663 42.3515 179.0622 56 S 4.7823 7.5931 111.1182 61.4985 62.7743 174.4989 57 L 3.9692 7.3659 119.6882 57.8559 41.4460 176.8567 58 N 4.7246 7.5998 120.2971 51.8263 38.4635 175.5732 59 R 4.6256 8.5130 121.5740 56.8369 30.1092 178.3586 60 Y 4.3688 7.2158 117.3801 59.8440 37.8552 176.5916 61 F 5.5266 8.1530 116.6028 55.5684 41.5830 176.3144 62 I 4.3968 8.4224 113.5816 58.9431 38.2912 174.0385 63 K 3.7658 7.7805 127.7573 56.1771 32.8592 177.1958 64 V 4.0701 7.9244 120.5168 59.3211 32.8009 174.6514 65 P 4.7331 0.0000 0.0000 61.5761 33.2951 176.0648 66 R 3.9748 8.5291 118.4112 56.8923 30.5872 176.8150 67 S 4.5523 7.6502 113.7621 58.8298 66.4629 175.4873 68 Q 4.7460 8.7081 113.3886 56.2027 29.3259 175.0748 69 E 4.1778 8.2122 115.2005 57.5033 31.2166 177.8487 70 E 4.3710 8.6123 121.2890 54.8402 31.8400 174.1526 71 P 4.4696 0.0000 0.0000 61.9721 32.5508 175.5901 72 G 4.1908 8.5021 105.2845 44.9352 0.0000 173.6380 73 K 4.6248 8.2836 117.9584 54.9658 32.9377 175.9679 74 G 4.1742 7.6876 105.5359 44.7100 0.0000 173.0869 75 S 5.3546 8.3425 115.0994 57.2684 64.1967 173.9729 76 F 4.6494 8.4846 124.4654 56.2239 42.2462 173.5914 77 W 4.9156 8.3183 125.8004 54.6596 30.2946 175.6277 78 R 4.7241 8.7582 125.8004 54.9564 32.4814 174.1975 79 I 4.5656 7.9329 121.4491 59.8958 38.3720 175.4602 80 D 4.7081 8.3647 128.3929 53.1815 41.4928 175.2573 81 P 4.5869 0.0000 0.0000 63.9937 31.4058 176.4437 82 A 4.8061 7.5769 121.2887 52.3251 20.0047 176.8432 83 S 4.5643 8.1108 114.1315 61.5241 66.6800 176.1772 84 E 3.0565 7.8680 112.3553 58.6614 29.4836 179.2001 85 S 3.8699 6.1868 116.5137 61.1864 64.0873 176.6747 86 K 3.9688 8.1481 123.9789 59.0988 31.9689 178.8929 87 L 3.4358 6.9873 120.3298 58.6420 40.5063 178.9909 88 I 2.8426 7.3796 113.8496 63.0441 36.6551 177.4433 89 E 3.7720 7.1697 120.7536 58.7543 29.5893 177.1364 90 Q 4.1600 7.7338 116.4194 56.9257 29.5954 175.5564 91 A 4.6074 7.8960 119.9231 53.8547 20.1408 177.8813 92 F 5.2177 7.7795 113.5660 58.0113 39.2782 176.6890 93 R 4.6655 7.6620 119.2393 54.2848 29.8004 175.2481 94 K 4.1373 7.8536 119.8649 56.4169 33.1062 176.3789 95 R 4.3956 7.6354 112.8536 53.8773 29.3771 176.5066 96 R 4.5111 7.2077 121.6663 54.7797 30.7668 172.1269 97 P 4.4660 0.0000 0.0000 63.4706 32.9141 177.0842 98 R 4.1388 7.4765 121.3030 55.7536 28.8144 174.9008 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 D 8.35 4.73 0.00 2.71 2.78 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 2 S 7.49 4.14 0.00 4.00 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 3 K 8.06 4.33 0.00 1.30 1.28 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.26 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.45 0.92 7.81 4 P 0.00 4.30 0.00 1.97 1.92 0.00 3.50 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.80 0.00 5 P 0.00 4.43 0.00 2.13 2.16 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 6 Y 7.95 4.36 0.00 2.79 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 7 S 8.17 4.33 0.00 3.93 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 8 Y 8.37 4.54 0.00 3.09 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 9 A 7.99 4.61 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 10 Q 8.15 4.48 0.00 2.42 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 11 L 7.51 3.87 0.00 1.77 1.82 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.56 3.96 1.31 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 1.44 1.04 0.36 0.00 0.00 13 V 8.00 3.88 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 0.94 0.00 0.00 1.17 0.00 0.00 14 Q 8.13 4.29 0.00 2.28 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 15 A 7.53 4.21 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 16 I 7.75 3.73 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 1.07 0.00 0.00 17 T 8.01 4.15 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 1.29 0.00 0.00 18 M 7.45 4.32 0.00 2.39 2.18 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 2.59 2.67 0.00 19 A 7.61 4.25 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 20 P 0.00 4.86 0.00 2.21 2.12 0.00 3.97 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 21 D 8.83 5.61 0.00 2.94 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 22 K 7.64 4.20 0.00 2.07 2.01 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.45 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.47 7.81 23 Q 8.35 5.17 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.28 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 24 L 8.59 4.66 0.00 1.71 1.29 0.95 0.46 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 25 T 8.02 3.94 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 1.18 0.00 0.00 26 L 8.47 3.72 0.00 1.30 1.74 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.70 3.14 0.00 2.66 2.75 0.00 0.00 7.19 7.60 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 28 G 7.71 3.52 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 0.00 0.00 0.00 0.00 29 I 6.85 3.76 1.79 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.18 0.00 0.00 30 Y 7.62 5.01 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 31 T 8.00 4.41 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 1.27 0.00 0.00 32 H 7.90 4.30 0.00 3.24 3.43 0.00 5.62 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 33 I 8.16 4.03 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.70 0.91 0.00 0.00 34 T 7.91 4.78 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 1.49 0.00 0.00 35 K 7.10 3.74 0.00 1.92 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.44 7.81 36 N 7.29 4.43 0.00 1.44 1.87 0.00 0.00 6.61 7.14 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 37 Y 7.23 5.00 0.00 3.21 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 38 P 0.00 4.74 0.00 2.27 2.36 0.00 3.80 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 2.13 1.97 0.00 39 Y 8.12 3.90 0.00 2.93 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 40 Y 8.38 4.23 0.00 3.02 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 41 R 7.50 4.44 0.00 1.98 2.03 0.00 3.44 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 42 T 8.06 4.26 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 1.09 0.00 0.00 43 A 7.94 4.50 1.23 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 0.00 0.00 44 D 7.58 4.85 0.00 2.84 3.15 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 45 K 8.28 4.14 0.00 1.67 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.21 7.81 46 G 7.36 3.75 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 0.00 0.00 0.00 47 W 8.47 5.12 0.00 3.61 3.28 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 48 Q 6.69 2.00 0.00 1.36 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 49 N 8.41 4.98 0.00 2.65 2.78 0.00 0.00 7.22 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 50 S 7.54 3.95 0.00 4.01 3.89 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 51 I 7.85 4.37 2.03 0.00 0.00 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 2.22 1.66 0.80 0.00 0.00 52 R 7.46 3.35 0.00 1.89 2.04 0.00 3.08 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 53 H 7.97 4.11 0.00 3.01 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.13 4.73 0.00 3.00 2.98 0.00 0.00 6.46 6.73 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 55 L 7.35 3.51 0.00 0.42 0.13 -0.11 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.59 4.78 0.00 4.29 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 57 L 7.37 3.97 0.00 1.74 1.68 0.92 1.00 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 58 N 7.60 4.72 0.00 3.40 2.96 0.00 0.00 7.39 7.63 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 59 R 8.51 4.63 0.00 1.88 2.00 0.00 3.20 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 60 Y 7.22 4.37 0.00 2.34 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 61 F 8.15 5.53 0.00 3.49 3.38 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 62 I 8.42 4.40 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 1.03 0.00 0.00 63 K 7.78 3.77 0.00 0.79 0.74 0.00 0.77 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.67 0.84 7.81 64 V 7.92 4.07 2.03 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 0.70 0.00 0.00 1.02 0.00 0.00 65 P 0.00 4.73 0.00 2.04 2.04 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 66 R 8.53 3.97 0.00 1.82 1.91 0.00 3.26 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 67 S 7.65 4.55 0.00 3.74 3.70 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 68 Q 8.71 4.75 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 69 E 8.21 4.18 0.00 1.92 1.72 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 2.19 2.20 0.00 70 E 8.61 4.37 0.00 1.87 1.80 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 2.17 2.28 0.00 71 P 0.00 4.47 0.00 2.16 2.06 0.00 3.67 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 1.94 1.93 0.00 72 G 8.50 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 73 K 8.28 4.62 0.00 1.73 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.39 7.81 74 G 7.69 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 0.00 0.00 0.00 75 S 8.34 5.35 0.00 3.89 3.64 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 76 F 8.48 4.65 0.00 3.10 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 77 W 8.32 4.92 0.00 3.22 3.28 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 78 R 8.76 4.72 0.00 2.19 1.97 0.00 3.26 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.77 0.00 79 I 7.93 4.57 2.01 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 1.24 0.85 0.95 0.00 0.00 80 D 8.36 4.71 0.00 3.04 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 81 P 0.00 4.59 0.00 2.18 2.16 0.00 3.72 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 1.99 1.96 0.00 82 A 7.58 4.81 1.24 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 83 S 8.11 4.56 0.00 3.80 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 84 E 7.87 3.06 0.00 2.03 1.64 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 2.23 2.36 0.00 85 S 6.19 3.87 0.00 4.04 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 86 K 8.15 3.97 0.00 1.85 1.64 0.00 1.53 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.52 7.81 87 L 6.99 3.44 0.00 1.65 0.71 0.78 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.38 2.84 1.28 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 0.52 0.72 0.72 0.00 0.00 89 E 7.17 3.77 0.00 2.04 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 2.31 2.23 0.00 90 Q 7.73 4.16 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 91 A 7.90 4.61 1.31 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 0.00 0.00 0.00 92 F 7.78 5.22 0.00 3.11 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 93 R 7.66 4.67 0.00 1.73 1.82 0.00 3.29 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 94 K 7.85 4.14 0.00 1.49 1.49 0.00 0.95 0.00 0.00 1.30 0.00 0.00 2.49 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.71 0.21 7.81 95 R 7.64 4.40 0.00 1.69 1.78 0.00 3.15 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 96 R 7.21 4.51 0.00 1.63 1.74 0.00 3.18 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 97 P 0.00 4.47 0.00 2.21 2.02 0.00 3.83 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 1.97 1.93 0.00 98 R 7.48 4.14 0.00 1.89 1.87 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00