NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5015 8.3344 115.4196 58.1246 64.2706 173.1870 2 D 4.4759 9.1753 114.0784 54.7511 44.1984 173.6582 3 K 4.4186 8.7064 116.2104 56.4036 34.6620 175.9836 4 I 4.1797 7.3889 120.5226 60.5842 37.9509 175.9282 5 I 3.8165 8.4179 128.6361 61.6174 38.1211 175.1022 6 H 4.9437 8.7957 125.2550 54.5646 28.4072 175.1608 7 L 4.5272 8.6652 123.8782 54.5913 42.5876 176.5356 8 T 4.9777 8.4021 110.1476 59.5588 72.0946 174.5605 9 D 4.5195 8.5880 120.8815 56.8402 40.8726 178.3683 10 D 4.5918 8.1138 117.0503 55.9437 41.4669 177.6281 11 S 4.6481 7.9678 113.0726 58.1521 63.3438 175.7596 12 F 3.9294 8.0115 125.8427 61.6584 39.1280 176.0533 13 D 4.3973 8.4231 117.1967 57.9735 40.6615 178.6007 14 T 3.8599 7.6958 113.7077 66.8505 68.7088 176.2083 15 D 4.3625 8.1832 119.8193 56.4743 41.0219 177.5535 16 V 3.6904 7.5496 116.9504 64.4331 32.4213 177.7928 17 L 4.0823 7.3251 116.4836 56.4786 41.7707 177.8591 18 K 4.4086 7.3739 115.7663 55.6372 33.2701 176.1898 19 A 4.0674 7.5684 123.8413 52.0701 19.1598 177.6166 20 D 4.8209 8.5380 124.2066 50.6651 40.2103 175.7647 21 G 3.8281 6.8954 107.7673 45.8636 0.0000 168.2177 22 A 5.1963 7.8249 120.9633 50.6650 21.2915 176.8304 23 I 4.8879 8.8715 122.6234 59.3766 41.2549 174.3849 24 L 4.7395 8.7892 129.5132 53.6663 43.3724 174.8010 25 V 4.5065 8.9503 127.9112 61.5099 33.6545 173.9521 26 D 5.1475 9.0600 128.0888 52.7825 42.9406 174.7661 27 F 5.6987 9.2740 126.0394 55.5767 41.0010 175.1562 28 W 4.7862 8.3546 117.5906 56.2264 30.9811 172.7701 29 A 3.8676 7.7812 120.7957 49.8519 21.5782 176.7184 30 E 3.9936 8.3824 121.5659 59.1429 29.6567 178.4957 31 W 4.4029 7.4234 113.0527 57.9342 28.8608 176.9131 32 C 4.7852 7.8343 121.1965 56.2595 40.9750 173.0062 33 G 3.7742 9.1003 115.6923 47.8872 0.0000 172.7500 34 P 4.2772 0.0000 0.0000 65.0465 31.6810 179.3083 35 C 4.2001 8.2472 114.5811 60.2990 40.0119 176.3587 36 K 3.8184 7.6172 118.3583 59.6027 31.6344 179.0469 37 M 4.1877 7.8114 118.7422 57.8637 32.1064 177.9995 38 I 4.0578 7.6914 111.4890 61.7444 38.1582 177.7209 39 A 3.7290 7.5022 123.5245 54.7525 17.9720 177.7736 40 P 4.4167 0.0000 0.0000 65.4784 31.1956 178.6118 41 I 3.7695 7.4676 119.2321 64.0158 37.0902 178.0565 42 L 3.9732 8.1576 120.2561 57.5144 40.8812 179.0950 43 D 4.3241 7.7620 119.1879 57.5667 40.8286 178.8164 44 E 4.0397 7.7661 118.6673 59.4782 29.4472 179.5636 45 I 3.8811 7.8496 119.6909 64.3095 36.9341 178.1501 46 A 4.0464 7.9599 120.7098 55.5025 18.5333 179.2048 47 D 4.4120 7.9073 116.8974 57.6356 40.8170 178.7687 48 E 4.0278 8.2960 118.4303 58.8518 29.8147 178.2381 49 Y 4.4801 7.8658 114.9986 56.4261 38.5109 175.1456 50 Q 3.8251 7.4164 118.9758 57.9016 29.1652 178.2708 51 G 4.0230 8.8750 109.6029 45.7877 0.0000 174.2509 52 K 4.3347 8.1945 118.8079 58.0211 33.0854 176.3916 53 L 4.6267 7.4310 114.8860 55.3529 43.0496 174.3512 54 T 4.6476 8.3997 116.5834 61.9247 71.4958 173.6476 55 V 4.7376 8.1986 124.2129 61.4270 33.9970 174.3108 56 A 5.1631 9.0943 128.3094 50.1097 23.0940 174.8295 57 K 4.8690 8.9230 120.3734 54.4635 35.5321 174.9353 58 L 5.0046 9.2879 128.1637 53.2441 44.6107 174.6620 59 N 4.1361 8.7657 126.5372 52.3263 39.7970 174.5678 60 I 4.4395 7.8358 119.7787 60.6517 37.8529 175.9806 61 D 4.7676 8.2005 123.2188 56.3738 42.4905 177.6887 62 Q 4.2225 8.0800 115.0951 57.5729 28.9504 176.2763 63 N 4.9912 7.9190 115.3220 50.9514 39.3296 172.9070 64 P 4.5272 0.0000 0.0000 64.3621 32.6409 179.1702 65 G 3.6915 8.6343 108.7765 49.0170 0.0000 175.2555 66 T 3.8412 7.9947 116.8911 65.6858 69.0921 176.8985 67 A 3.6533 8.0962 123.0627 54.8403 18.1967 177.7172 68 P 4.1069 0.0000 0.0000 65.6018 31.1227 178.7010 69 K 3.9206 7.3615 114.6682 58.0384 30.6990 177.2545 70 Y 4.5776 7.4584 116.1262 56.9048 38.4167 176.1398 71 G 3.8749 7.6396 107.2371 46.4112 0.0000 174.4485 72 I 3.8767 7.0221 118.2476 60.8478 37.9808 174.0380 73 R 4.2808 8.4494 121.6383 55.6396 32.3980 176.6796 74 G 3.9475 8.7649 107.5752 46.6598 0.0000 172.7514 75 I 4.7392 8.0999 116.9642 57.8333 40.5825 173.5507 76 P 4.8164 0.0000 0.0000 63.4475 33.0129 174.9514 77 T 5.0915 8.8034 117.4791 61.9242 71.8556 172.9399 78 L 5.0109 8.8249 127.3924 53.6830 43.5038 175.6453 79 L 5.0734 9.1789 124.5677 52.7244 44.7102 175.3987 80 L 4.7599 8.6200 127.0802 54.5599 43.3439 175.2346 81 F 5.0506 9.8571 126.7390 56.0110 41.3745 175.1216 82 K 4.6745 9.8304 123.9722 54.4021 34.1418 176.3380 83 N 4.6545 9.2302 125.6012 53.1428 36.6147 175.8362 84 G 4.0856 8.5887 103.0549 45.3894 0.0000 172.9923 85 E 4.7634 8.1322 119.3931 54.0971 32.1750 175.3969 86 V 4.0941 8.2792 122.9035 62.5013 32.1754 175.2921 87 A 4.4219 8.8151 129.7266 54.0250 19.7971 176.9936 88 A 4.7520 7.5490 114.4000 51.2755 23.1184 175.6023 89 T 5.1432 8.5851 115.2529 62.1310 72.7198 173.4747 90 K 4.4247 9.1180 127.2655 54.4368 35.5310 174.6883 91 V 4.5483 8.7161 126.8918 62.3379 33.5253 175.8223 92 G 3.8787 8.8730 113.2712 44.5979 0.0000 172.5758 93 A 4.2896 7.9774 121.2323 51.9191 19.1342 176.8003 94 L 4.5524 7.7082 118.2170 53.2725 43.1179 175.8432 95 S 4.3756 8.7305 116.3306 57.7374 65.1311 175.0716 96 K 3.9209 8.7262 122.5103 59.9362 31.5048 178.7767 97 G 3.6168 7.9878 105.2258 47.9473 0.0000 175.6827 98 Q 4.0803 8.1417 120.6001 58.4500 28.6187 178.5338 99 L 4.0853 8.1083 121.5832 57.6162 42.0820 178.9256 100 K 4.0834 8.1355 120.0139 58.8610 32.1081 178.5718 101 E 3.9414 7.9847 119.2505 59.5034 29.5123 178.3320 102 F 4.1500 8.1122 119.9531 61.3973 39.4105 176.7783 103 L 3.6944 8.2885 118.2061 58.0796 41.2886 179.2186 104 D 4.4409 8.7935 118.5645 57.7388 40.6056 179.1283 105 A 4.1440 7.9491 119.8427 54.4053 18.4906 178.5167 106 N 4.5053 7.5103 112.7861 54.1151 39.2872 176.9447 107 L 4.1250 8.3301 120.1061 56.8032 41.8702 176.6229 108 A 4.1490 7.2653 126.0918 52.3443 18.2893 176.9415 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 S 8.33 4.50 0.00 4.02 3.33 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 2 D 9.18 4.48 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 3 K 8.71 4.42 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.42 7.81 4 I 7.39 4.18 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 0.64 0.00 0.00 5 I 8.42 3.82 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.87 0.00 0.00 6 H 8.80 4.94 0.00 3.08 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.67 4.53 0.00 1.78 1.76 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.40 4.98 4.38 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 1.26 0.00 0.00 9 D 8.59 4.52 0.00 2.75 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 10 D 8.11 4.59 0.00 2.70 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 11 S 7.97 4.65 0.00 4.07 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 12 F 8.01 3.93 0.00 3.34 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 13 D 8.42 4.40 0.00 2.85 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 14 T 7.70 3.86 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 1.18 0.00 0.00 15 D 8.18 4.36 0.00 2.52 2.57 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 0.00 0.00 0.00 0.00 16 V 7.55 3.69 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 0.00 0.00 -0.38 0.00 0.00 -0.06 0.00 0.00 17 L 7.33 4.08 0.00 1.79 1.76 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.37 4.41 0.00 1.85 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 19 A 7.57 4.07 1.25 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 20 D 8.54 4.82 0.00 2.62 2.60 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 0.00 0.00 0.00 0.00 21 G 6.90 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 22 A 7.82 5.20 1.25 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 23 I 8.87 4.89 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.13 0.75 0.00 0.00 24 L 8.79 4.74 0.00 1.74 1.51 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.95 4.51 2.20 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 0.10 0.00 0.00 0.78 0.00 0.00 26 D 9.06 5.15 0.00 2.66 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 27 F 9.27 5.70 0.00 3.12 2.95 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 0.00 0.00 0.00 28 W 8.35 4.79 0.00 3.36 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 29 A 7.78 3.87 0.14 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.38 3.99 0.00 1.81 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 2.36 2.46 0.00 31 W 7.42 4.40 0.00 3.50 3.19 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 32 C 7.83 4.79 0.00 2.35 2.77 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 33 G 9.10 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 34 P 0.00 4.28 0.00 2.19 2.15 0.00 3.68 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 2.16 2.23 0.00 35 C 8.25 4.20 0.00 3.21 3.31 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 36 K 7.62 3.82 0.00 1.88 1.88 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.35 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.57 7.81 37 M 7.81 4.19 0.00 1.99 2.29 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 2.64 2.81 0.00 38 I 7.69 4.06 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.93 0.00 0.00 39 A 7.50 3.73 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 40 P 0.00 4.42 0.00 2.23 2.28 0.00 3.90 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 2.13 1.88 0.00 41 I 7.47 3.77 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.49 0.88 0.00 0.00 42 L 8.16 3.97 0.00 1.68 1.59 0.73 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.76 4.32 0.00 2.87 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 44 E 7.77 4.04 0.00 2.18 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 2.33 2.34 0.00 45 I 7.85 3.88 1.83 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 1.61 0.77 0.68 0.00 0.00 46 A 7.96 4.05 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 47 D 7.91 4.41 0.00 2.97 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 48 E 8.30 4.03 0.00 2.06 1.89 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 2.36 2.69 0.00 49 Y 7.87 4.48 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 50 Q 7.42 3.83 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 51 G 8.87 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 52 K 8.19 4.33 0.00 2.03 2.04 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.36 7.81 53 L 7.43 4.63 0.00 1.78 1.61 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.40 4.65 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 1.16 0.00 0.00 55 V 8.20 4.74 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 0.88 0.00 0.00 0.88 0.00 0.00 56 A 9.09 5.16 1.06 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 57 K 8.92 4.87 0.00 1.65 1.73 0.00 1.36 0.00 0.00 1.35 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.17 7.81 58 L 9.29 5.00 0.00 1.81 1.68 1.10 0.64 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 59 N 8.77 4.14 0.00 2.00 2.43 0.00 0.00 6.89 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 60 I 7.84 4.44 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 1.07 0.00 0.00 61 D 8.20 4.77 0.00 2.70 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 62 Q 8.08 4.22 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.25 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 63 N 7.92 4.99 0.00 2.89 2.85 0.00 0.00 6.61 7.42 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 64 P 0.00 4.53 0.00 2.16 2.16 0.00 3.91 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 1.97 1.95 0.00 65 G 8.63 3.69 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 0.00 0.00 0.00 66 T 7.99 3.84 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 0.32 0.00 0.00 67 A 8.10 3.65 1.15 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 68 P 0.00 4.11 0.00 2.07 2.05 0.00 3.60 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 2.05 2.12 0.00 69 K 7.36 3.92 0.00 1.21 1.35 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.27 7.81 70 Y 7.46 4.58 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 71 G 7.64 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 72 I 7.02 3.88 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.03 0.87 0.00 0.00 73 R 8.45 4.28 0.00 1.77 1.71 0.00 3.41 0.00 0.00 3.22 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 74 G 8.76 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.10 4.74 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.97 0.00 0.00 76 P 0.00 4.82 0.00 2.15 2.26 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 77 T 8.80 5.09 4.51 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 1.36 0.00 0.00 78 L 8.82 5.01 0.00 1.42 1.55 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.18 5.07 0.00 1.71 1.25 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.62 4.76 0.00 1.84 1.47 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.86 5.05 0.00 3.03 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 82 K 9.83 4.67 0.00 1.51 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.36 7.81 83 N 9.23 4.65 0.00 2.82 2.86 0.00 0.00 7.09 7.24 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 84 G 8.59 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 85 E 8.13 4.76 0.00 2.15 1.85 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 2.27 2.42 0.00 86 V 8.28 4.09 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 0.62 0.00 0.00 -0.01 0.00 0.00 87 A 8.82 4.42 1.17 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 88 A 7.55 4.75 0.99 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 0.00 0.00 89 T 8.59 5.14 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 1.25 0.00 0.00 90 K 9.12 4.42 0.00 0.79 1.02 0.00 0.91 0.00 0.00 1.09 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.12 7.81 91 V 8.72 4.55 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 0.86 0.00 0.00 0.94 0.00 0.00 92 G 8.87 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 93 A 7.98 4.29 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 94 L 7.71 4.55 0.00 1.89 1.54 0.81 0.49 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 95 S 8.73 4.38 0.00 4.09 4.05 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 96 K 8.73 3.92 0.00 1.84 1.88 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.56 7.81 97 G 7.99 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 98 Q 8.14 4.08 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.11 4.09 0.00 1.74 1.79 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.14 4.08 0.00 2.11 1.97 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.62 7.81 101 E 7.98 3.94 0.00 2.28 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 0.00 2.31 2.20 0.00 102 F 8.11 4.15 0.00 3.11 3.19 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 0.00 103 L 8.29 3.69 0.00 1.71 1.49 0.31 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.79 4.44 0.00 2.83 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 0.00 105 A 7.95 4.14 1.33 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 0.00 106 N 7.51 4.51 0.00 2.31 2.54 0.00 0.00 7.06 7.89 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 0.00 107 L 8.33 4.13 0.00 1.63 1.73 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.27 4.15 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