NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4098 8.2893 120.3486 55.3881 33.0858 174.6978 2 N 4.6913 8.5771 123.9878 51.3689 39.0192 172.9979 3 I 4.6088 8.7728 120.9503 59.6197 42.0068 176.1826 4 I 4.3879 8.3473 124.0727 59.5744 38.5813 175.1553 5 K 4.4663 8.6243 124.7233 54.3946 34.2532 176.0435 6 A 4.6019 8.3990 126.1730 50.6986 21.0811 174.9867 7 N 5.0438 8.1799 116.8310 51.9446 41.4588 175.6630 8 V 3.8947 8.1694 114.1461 62.7054 32.2940 176.8819 9 A 4.1429 8.0382 123.6397 52.1441 18.5566 177.9761 10 A 4.6096 8.2985 123.2074 51.2540 21.3170 174.0054 11 P 4.7265 0.0000 0.0000 64.9053 32.1824 178.7305 12 D 4.7652 8.0825 115.8609 54.2779 40.5564 175.7292 13 A 4.6735 7.6086 124.6850 51.7210 20.3887 178.1830 14 R 4.8430 9.5534 120.7063 55.0539 32.7464 175.8552 15 V 4.9381 8.9301 124.1653 60.0024 34.8810 173.9083 16 A 4.8672 8.4559 128.5433 50.0760 21.5442 175.2087 17 I 4.7876 8.6127 123.7868 59.5932 39.5459 174.6858 18 T 4.7338 8.5338 117.8498 60.0091 70.8290 173.4505 19 I 4.6377 7.9382 126.8606 59.0074 40.3848 174.5637 20 A 5.0415 8.3029 128.5556 51.4014 18.9220 178.0968 21 R 4.4541 9.2669 119.5537 58.3531 30.2935 176.9186 22 F 4.6435 8.1780 121.4794 59.8737 39.7708 174.3093 23 N 4.6441 9.8673 123.9806 54.5511 35.5200 176.1043 24 Q 4.2132 8.3785 120.5407 59.5014 28.0603 177.9158 25 F 3.7303 8.4804 121.4011 61.2593 39.4281 176.5293 26 I 4.1906 8.1607 118.4668 63.8122 37.6727 177.8605 27 N 4.3903 8.1907 116.6663 56.1858 38.3061 176.8887 28 D 4.5897 9.1433 121.6989 57.7031 41.0230 178.9064 29 S 4.0770 7.9673 112.8846 61.0197 62.3601 175.4086 30 L 4.0581 7.8444 123.2840 58.6553 41.6487 178.3769 31 L 3.8705 8.3049 120.3516 57.6876 41.9905 178.6528 32 D 4.5026 8.4308 118.6449 57.3059 40.8751 179.6740 33 G 3.6301 8.1352 105.7914 47.8682 0.0000 175.1654 34 A 3.9389 7.8595 123.3557 54.7217 18.4389 179.2296 35 V 3.4343 7.8850 116.4202 66.3834 31.5180 177.3644 36 D 4.3279 8.1648 117.0430 57.6939 40.9514 177.9111 37 A 3.9164 8.1786 120.9056 55.7911 18.3438 178.9904 38 L 3.8462 8.5366 116.5466 59.4457 41.8359 179.8081 39 T 4.2221 8.3577 110.9030 64.0233 68.5787 176.2202 40 R 3.8591 8.1293 123.9645 58.3474 30.6933 178.1138 41 I 4.0553 8.0378 117.1436 63.5529 37.7388 177.1488 42 G 3.7401 8.0034 106.9303 45.1514 0.0000 174.1709 43 Q 3.6742 8.2155 119.9366 56.5343 28.1951 172.8028 44 V 3.8947 7.4484 116.3754 61.9441 32.3327 174.9937 45 K 4.1901 8.5523 128.7330 56.2016 32.6015 176.6272 46 D 4.6708 8.8035 124.3224 54.0166 39.1416 176.1570 47 D 4.8141 7.9955 117.0695 53.7804 40.0698 176.1261 48 N 4.8309 8.4949 117.6291 53.6649 40.1502 174.2762 49 I 4.8930 7.6788 120.8295 60.2026 38.5297 175.1776 50 T 4.7110 8.8363 117.2947 59.7054 71.9085 173.0031 51 V 4.6204 8.4123 123.6646 61.0747 34.0768 174.5575 52 V 4.3119 8.9387 128.7518 60.7994 33.6628 174.4782 53 W 4.7854 8.9898 129.0854 56.5690 29.6076 176.5731 54 V 4.3809 8.6076 118.9221 59.1360 33.7465 174.8649 55 P 4.3220 0.0000 0.0000 65.1383 31.4435 177.0209 56 G 4.4464 7.9729 108.5677 42.7661 0.0000 174.1179 57 A 4.0668 8.4933 120.6716 54.9153 18.0714 179.2647 58 Y 4.2238 8.1551 116.9331 60.5209 39.2619 177.3216 59 E 4.1449 8.2527 119.1650 58.1481 29.6586 178.5844 60 L 3.8798 7.6300 119.3298 57.9718 41.5976 177.1756 61 P 4.1754 0.0000 0.0000 64.9992 31.2042 177.9242 62 L 3.9148 7.7627 117.9310 58.4720 42.2000 179.1488 63 A 3.9872 7.8015 120.0045 55.6469 18.3118 179.8322 64 T 3.8148 8.2410 108.4692 64.5435 68.6977 176.0645 65 E 3.8461 9.0342 122.9699 59.2147 29.6452 178.3341 66 A 4.0135 7.9980 120.4937 55.6148 18.1903 179.6257 67 L 4.1159 7.6276 114.9968 57.8399 41.9534 179.5245 68 A 4.2025 8.4594 121.0864 55.2470 18.2135 179.7708 69 K 3.8955 8.1695 116.0482 59.7148 32.1396 178.9030 70 S 4.2025 8.0189 112.7970 59.5955 62.0372 175.8993 71 G 3.9630 8.5617 110.6610 46.2532 0.0000 176.0131 72 K 3.5481 7.7026 120.4001 56.3084 31.8383 182.1640 73 Y 5.1009 6.9797 113.3409 56.9222 40.6485 175.4226 74 D 4.7457 9.2146 122.0330 55.8595 41.8870 176.4315 75 A 4.5435 7.3757 117.3793 51.2039 22.5412 175.0843 76 V 4.7340 8.2425 119.8499 61.0334 34.6998 174.4866 77 V 4.3663 8.7542 128.2305 61.4802 33.3326 174.1661 78 A 4.9374 8.5625 130.3056 49.7425 20.8271 175.2287 79 L 5.2805 7.9563 123.1342 52.6825 44.4077 176.3875 80 G 4.2636 7.6973 108.3982 45.9772 0.0000 171.8515 81 T 5.0819 8.5357 116.0476 61.5134 72.0464 174.3707 82 V 4.2271 9.1299 125.0377 61.3827 34.1248 173.9011 83 I 4.7811 8.1932 128.6212 59.5815 38.7679 175.9516 84 R 3.6566 8.3692 127.4810 56.4783 30.3511 176.3637 85 G 4.4316 8.3156 115.7929 44.2585 0.0000 172.9085 86 G 3.6417 8.7789 107.6144 47.4621 0.0000 173.3753 87 T 4.5222 7.5877 108.3757 59.6968 71.4796 173.5388 88 A 4.4650 8.3705 121.3153 52.7637 18.8071 178.7123 89 H 4.2922 8.2996 120.2844 60.2566 29.6979 176.9295 90 F 4.0677 8.4796 121.9957 61.5197 38.9974 176.6010 91 E 3.5724 7.9974 118.4826 59.5005 29.3708 178.3849 92 Y 4.3045 7.4126 115.9034 60.7437 38.1773 177.5279 93 V 3.6707 7.6605 119.1661 65.8132 31.5967 177.7744 94 A 4.0866 7.8047 120.2703 55.2985 18.0649 179.5771 95 G 3.6398 8.0929 104.7152 47.6772 0.0000 175.9718 96 G 3.8626 8.6828 108.0377 45.7100 0.0000 174.6889 97 A 4.2777 7.8022 122.5189 54.2524 19.7516 179.1033 98 S 4.1580 8.2421 111.8078 61.9170 62.4049 176.2742 99 N 4.4627 8.5533 119.4320 55.8373 38.3353 177.5499 100 G 3.6846 7.7229 106.4482 47.9585 0.0000 175.5814 101 L 3.9948 7.9605 121.7741 57.3022 41.8385 179.5419 102 A 3.9829 8.0179 120.6304 55.0736 18.2600 179.5957 103 S 3.9608 8.2557 111.6530 61.5203 62.4609 176.1478 104 V 3.5498 7.7547 120.7393 66.2635 31.0694 177.7026 105 A 4.3538 7.8725 121.3305 54.8232 18.0115 179.4370 106 Q 3.8816 7.6516 116.2463 59.1765 29.1395 177.7802 107 D 4.5329 8.0390 119.4418 56.9502 41.2645 178.4583 108 S 4.3552 8.3368 112.9775 58.6638 63.4848 175.6307 109 G 3.8955 8.1967 109.6639 45.7345 0.0000 173.7815 110 V 3.9753 7.5641 120.9582 61.6221 33.1135 173.5629 111 P 4.5551 0.0000 0.0000 62.6364 32.4489 175.1415 112 V 4.9161 8.4228 123.8122 61.0174 33.9930 174.2394 113 A 4.4699 8.8192 130.1638 50.9040 20.5054 176.2661 114 F 4.8335 9.0114 126.6413 56.1822 38.4372 175.8576 115 G 3.9845 8.1212 117.9935 44.9335 0.0000 170.9380 116 V 4.6012 6.1508 117.5321 60.5976 33.9273 176.0390 117 L 4.2740 8.7590 129.4726 55.0976 42.8017 176.6228 118 T 5.2503 8.5110 112.8509 59.8530 68.9356 172.5477 119 T 4.6212 8.7160 120.9570 60.9410 72.0154 175.1449 120 E 4.1276 9.7918 120.6925 57.3494 30.5093 177.3315 121 S 4.7014 7.5935 111.9783 55.5065 67.5704 174.7444 122 I 3.6631 8.2608 123.4038 64.4355 36.6223 177.9075 123 E 3.9201 8.2123 118.7242 59.8070 29.6366 178.6999 124 Q 4.2823 8.1142 117.4059 58.7408 28.7704 178.4605 125 A 4.0004 7.8111 121.5125 55.4964 18.0584 179.6986 126 I 3.7513 7.9547 118.1336 64.7365 37.1270 178.5349 127 E 4.6379 8.0585 120.1800 58.0378 29.2559 178.3912 128 R 4.5461 8.0621 115.7769 55.6756 30.6285 176.6468 129 A 4.8247 7.1369 120.5979 52.7417 19.4807 177.1059 130 G 4.4629 7.9907 108.0774 48.1383 0.0000 175.5056 131 T 4.6540 7.5064 115.5005 60.1760 68.6651 175.6254 132 K 3.7774 9.2853 117.0958 59.2999 31.7211 177.8404 133 A 4.5889 7.8409 119.4489 52.0170 20.0692 178.8547 134 G 3.7338 8.0900 110.5132 47.3884 0.0000 174.0500 135 N 5.2754 8.2465 118.0449 50.9185 41.0090 175.5500 136 K 4.0422 8.9876 129.0194 58.9944 32.0475 179.1613 137 G 4.0711 8.3047 107.5272 47.3843 0.0000 175.6200 138 A 4.0340 7.8777 123.4531 54.3732 18.4710 179.2159 139 E 3.8567 8.4295 117.8322 59.3462 29.7187 178.9330 140 A 4.0735 8.5690 122.2594 54.3442 18.4870 179.3479 141 A 3.8973 8.2221 119.6053 55.3922 18.3776 179.9359 142 L 3.9436 8.0757 117.6581 58.1826 41.3286 179.9133 143 T 3.8423 8.0554 109.3984 64.6264 68.5282 176.0939 144 A 3.9996 7.9389 123.9640 54.9778 18.3206 179.0386 145 L 3.8643 7.8865 116.4269 58.2052 41.8134 179.3290 146 E 4.1718 8.3727 120.1703 59.1215 29.4592 178.9803 147 M 4.0482 8.0487 118.2977 58.3661 31.9123 178.4804 148 I 3.6916 7.6937 119.9166 64.8350 37.3300 178.2079 149 N 4.3271 7.9639 116.6900 56.1740 38.1477 177.5561 150 V 3.5863 7.9094 119.1108 66.2085 31.7465 177.8517 151 L 4.0751 8.4467 118.9570 57.6564 41.3577 179.2253 152 K 3.8776 8.1779 119.0050 59.5528 32.1412 177.0703 153 A 4.4834 7.9795 119.8943 51.7173 19.2986 177.2508 154 I 3.9267 7.9433 121.0670 63.1335 37.6770 174.0861 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.69 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.77 4.61 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.35 4.39 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.62 4.47 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.40 4.60 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 7 N 8.18 5.04 0.00 2.73 2.64 0.00 0.00 6.86 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 8 V 8.17 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.04 4.14 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 10 A 8.30 4.61 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 11 P 0.00 4.73 0.00 2.23 2.37 0.00 3.86 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 2.07 1.94 0.00 12 D 8.08 4.77 0.00 2.69 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 13 A 7.61 4.67 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 14 R 9.55 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.93 4.94 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.46 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.61 4.79 1.68 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 1.17 0.84 0.74 0.00 0.00 18 T 8.53 4.73 4.13 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 1.09 0.00 0.00 19 I 7.94 4.64 0.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.28 0.43 0.00 0.00 20 A 8.30 5.04 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 21 R 9.27 4.45 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.18 4.64 0.00 3.18 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 23 N 9.87 4.64 0.00 2.97 2.99 0.00 0.00 6.88 7.76 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 24 Q 8.38 4.21 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.48 3.73 0.00 3.13 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 26 I 8.16 4.19 2.11 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 1.67 0.84 0.95 0.00 0.00 27 N 8.19 4.39 0.00 2.87 2.92 0.00 0.00 7.09 8.08 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 28 D 9.14 4.59 0.00 2.57 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 29 S 7.97 4.08 0.00 3.81 3.96 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 30 L 7.84 4.06 0.00 1.92 1.64 0.96 0.53 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 31 L 8.30 3.87 0.00 1.79 1.79 0.77 1.48 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 32 D 8.43 4.50 0.00 2.88 2.70 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 33 G 8.14 3.63 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 0.00 0.00 0.00 34 A 7.86 3.94 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 35 V 7.89 3.43 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 0.98 0.00 0.00 0.93 0.00 0.00 36 D 8.16 4.33 0.00 2.83 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 37 A 8.18 3.92 1.40 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 0.00 0.00 0.00 38 L 8.54 3.85 0.00 1.84 1.72 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.36 4.22 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 1.28 0.00 0.00 40 R 8.13 3.86 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.04 4.06 2.06 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 1.23 0.96 0.91 0.00 0.00 42 G 8.00 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 0.00 0.00 0.00 43 Q 8.22 3.67 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.45 3.89 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 0.91 0.00 0.00 1.03 0.00 0.00 45 K 8.55 4.19 0.00 1.80 1.67 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.67 0.00 2.83 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 47 D 8.00 4.81 0.00 2.78 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 48 N 8.49 4.83 0.00 2.78 2.99 0.00 0.00 6.93 7.04 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 49 I 7.68 4.89 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.84 4.71 4.31 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 1.50 0.00 0.00 51 V 8.41 4.62 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 0.51 0.00 0.00 0.84 0.00 0.00 52 V 8.94 4.31 1.98 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.79 0.00 3.20 3.20 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 54 V 8.61 4.38 2.14 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 0.86 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.97 4.45 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 0.00 0.00 0.00 57 A 8.49 4.07 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 58 Y 8.16 4.22 0.00 2.91 3.09 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 59 E 8.25 4.14 0.00 2.00 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 2.64 2.58 0.00 60 L 7.63 3.88 0.00 1.77 1.70 0.83 0.97 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 61 P 0.00 4.18 0.00 2.02 1.87 0.00 3.66 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 2.07 2.10 0.00 62 L 7.76 3.91 0.00 1.63 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.80 3.99 1.35 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 0.00 0.00 0.00 64 T 8.24 3.81 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 1.20 0.00 0.00 65 E 9.03 3.85 0.00 2.04 2.19 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 2.31 2.34 0.00 66 A 8.00 4.01 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 0.00 0.00 67 L 7.63 4.12 0.00 1.78 1.69 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.46 4.20 1.40 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 0.00 0.00 0.00 69 K 8.17 3.90 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.02 4.20 0.00 3.93 4.23 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 71 G 8.56 3.96 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 0.00 0.00 0.00 72 K 7.70 3.55 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.98 5.10 0.00 2.77 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 74 D 9.21 4.75 0.00 2.55 2.74 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 75 A 7.38 4.54 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 76 V 8.24 4.73 2.04 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 0.96 0.00 0.00 0.86 0.00 0.00 77 V 8.75 4.37 1.99 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.56 4.94 1.16 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 0.00 0.00 79 L 7.96 5.28 0.00 1.38 1.40 0.80 0.62 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 80 G 7.70 4.26 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 0.00 81 T 8.54 5.08 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 82 V 9.13 4.23 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 0.95 0.00 0.00 0.88 0.00 0.00 83 I 8.19 4.78 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 1.23 0.69 0.83 0.00 0.00 84 R 8.37 3.66 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.32 4.43 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 0.00 0.00 0.00 86 G 8.78 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 0.00 0.00 0.00 87 T 7.59 4.52 4.31 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 1.24 0.00 0.00 88 A 8.37 4.47 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 89 H 8.30 4.29 0.00 3.25 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.07 0.00 3.09 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 91 E 8.00 3.57 0.00 1.95 1.12 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 2.01 2.17 0.00 92 Y 7.41 4.30 0.00 2.98 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 93 V 7.66 3.67 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.80 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 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 0.00 0.00 0.00 96 G 8.68 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 97 A 7.80 4.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.16 0.00 3.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.55 4.46 0.00 2.79 2.83 0.00 0.00 6.96 8.20 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 0.00 100 G 7.72 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.96 3.99 0.00 2.04 1.81 1.03 0.98 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 0.00 102 A 8.02 3.98 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 0.00 103 S 8.26 3.96 0.00 3.97 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 0.00 104 V 7.75 3.55 2.23 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 1.06 0.00 0.00 0.97 0.00 0.00 105 A 7.87 4.35 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 0.00 106 Q 7.65 3.88 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.53 0.00 2.70 2.70 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 0.00 108 S 8.34 4.36 0.00 4.02 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 0.00 109 G 8.20 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 0.00 110 V 7.56 3.98 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 0.96 0.00 0.00 1.03 0.00 0.00 111 P 0.00 4.56 0.00 2.12 1.97 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.42 4.92 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 0.85 0.00 0.00 0.93 0.00 0.00 113 A 8.82 4.47 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 0.00 114 F 9.01 4.83 0.00 2.99 2.99 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 0.00 115 G 8.12 3.98 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 0.00 0.00 0.00 116 V 6.15 4.60 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 0.69 0.00 0.00 -0.05 0.00 0.00 117 L 8.76 4.27 0.00 1.62 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.51 5.25 4.45 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 1.25 0.00 0.00 119 T 8.72 4.62 4.41 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 1.22 0.00 0.00 120 E 9.79 4.13 0.00 1.95 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 2.31 2.30 0.00 121 S 7.59 4.70 0.00 3.95 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 0.00 122 I 8.26 3.66 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 0.86 0.00 0.00 123 E 8.21 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.11 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 A 7.81 4.00 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 0.00 126 I 7.95 3.75 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.38 0.99 0.00 0.00 127 E 8.06 4.64 0.00 2.26 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 2.34 2.40 0.00 128 R 8.06 4.55 0.00 1.86 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.14 4.82 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 0.00 130 G 7.99 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.65 4.25 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 1.27 0.00 0.00 132 K 9.29 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.84 4.59 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 0.00 134 G 8.09 3.73 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 0.00 0.00 0.00 135 N 8.25 5.28 0.00 2.69 2.65 0.00 0.00 6.93 6.88 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 0.00 136 K 8.99 4.04 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.30 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 0.00 138 A 7.88 4.03 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 0.00 139 E 8.43 3.86 0.00 2.05 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 0.00 2.31 2.33 0.00 140 A 8.57 4.07 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 0.00 141 A 8.22 3.90 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 0.00 142 L 8.08 3.94 0.00 1.98 1.72 0.91 0.51 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 0.00 143 T 8.06 3.84 4.25 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 1.26 0.00 0.00 144 A 7.94 4.00 1.42 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 0.00 0.00 0.00 145 L 7.89 3.86 0.00 1.87 1.91 0.96 0.79 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 0.00 146 E 8.37 4.17 0.00 2.01 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 2.32 2.24 0.00 147 M 8.05 4.05 0.00 2.09 2.38 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 2.63 2.86 0.00 148 I 7.69 3.69 2.04 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 1.68 0.88 0.92 0.00 0.00 149 N 7.96 4.33 0.00 2.91 2.86 0.00 0.00 6.73 8.97 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 0.00 150 V 7.91 3.59 2.23 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.45 4.08 0.00 1.93 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.18 3.88 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 7.98 4.48 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 0.00 154 I 7.94 3.93 1.87 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 1.16 0.72 0.91 0.00 0.00