NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1621 8.1727 122.0493 56.2824 34.1436 174.1341 2 V 4.5848 8.1364 126.7097 60.6155 32.4159 174.4490 3 F 4.4748 9.9445 128.7650 57.6207 40.1930 174.8932 4 E 4.2341 9.3519 121.2397 55.5224 31.0388 176.6473 5 R 3.3311 9.0247 120.0726 61.1018 29.9646 179.3463 6 C 4.3336 8.0186 115.4083 59.6982 36.9719 175.7122 7 E 3.9111 8.1385 120.7749 59.2236 29.2879 178.5506 8 L 3.5049 7.9784 120.0779 57.7711 42.0802 178.4982 9 A 3.9245 7.8587 120.7442 55.5488 18.2638 179.9560 10 R 3.9103 8.0808 116.2876 59.4517 29.8423 179.4900 11 T 3.8499 7.5404 114.9882 66.6025 68.8706 176.4078 12 L 3.9709 8.2381 121.2781 57.4171 41.5873 179.3837 13 K 3.8717 8.0910 119.6171 59.6742 31.9575 178.7457 14 R 3.9099 7.9081 117.5077 59.2010 29.9894 177.4775 15 L 4.3435 7.4043 115.6405 54.4601 41.7155 177.2893 16 G 3.8916 7.9364 107.1275 46.4313 0.0000 174.8500 17 M 3.9736 7.7612 120.5432 56.3925 32.4367 175.3126 18 D 4.6133 8.0076 117.4331 55.8977 40.7903 175.5649 19 G 3.9323 9.2315 115.2742 45.4863 0.0000 171.0616 20 Y 4.2519 8.2637 121.9252 58.7278 38.9822 176.5101 21 R 3.5320 8.9324 127.1521 57.2952 27.7749 177.2030 22 G 3.7860 8.1652 102.8479 45.8241 0.0000 174.0170 23 I 4.0349 7.6839 122.3187 59.1366 37.8610 175.8812 24 S 4.5929 8.3181 120.4784 57.7399 63.9100 174.9010 25 L 4.2257 8.9881 123.1491 58.6505 41.7328 179.1615 26 A 4.1499 8.1717 120.0598 55.4000 18.3146 179.2385 27 N 4.4637 8.1962 114.5495 56.3441 38.5559 177.7510 28 W 4.3334 8.0772 119.9262 59.9467 29.1153 178.4069 29 M 4.1390 8.4510 118.9150 58.5248 31.4497 177.9234 30 C 3.2281 8.0810 118.6462 59.0545 44.5104 175.3609 31 L 3.9970 8.1520 121.6796 58.2981 41.7863 178.8446 32 A 4.2210 8.3379 122.1586 54.3438 18.2623 179.3928 33 K 2.8857 8.2519 118.2248 59.4397 32.0740 179.2041 34 W 4.1693 7.8254 117.4697 59.2556 29.0297 178.3544 35 E 4.3549 8.3626 118.7428 58.7016 29.1765 177.8283 36 S 4.5120 7.7491 107.8438 56.8203 64.9152 173.8713 37 G 3.4146 8.2200 108.8298 47.0618 0.0000 173.3272 38 Y 3.6462 7.6834 113.2892 58.7629 35.3386 168.9521 39 N 5.3524 7.8302 118.9403 51.9588 40.0169 175.2161 40 T 4.1792 9.0044 118.0156 63.7477 69.8122 175.8078 41 R 4.6482 8.1232 117.1201 55.7506 30.4772 176.6458 42 A 4.3675 7.8450 123.5937 52.7422 19.4328 177.0920 43 T 5.0802 8.2860 110.3840 60.1553 72.4654 173.0089 44 N 4.8753 8.7101 121.6612 52.2891 42.2441 172.5578 45 Y 4.6608 8.7421 127.9487 57.3821 40.8702 173.8790 46 N 4.8662 8.2640 123.9906 51.0054 39.1233 175.1040 47 A 3.5626 8.2512 127.5107 54.6697 18.9486 179.2343 48 G 3.7240 8.0524 104.3392 48.1060 0.0000 173.9253 49 D 4.7236 7.5077 115.3458 52.1286 40.0069 175.9528 50 R 4.0627 8.0781 115.7285 56.8604 28.2415 175.9113 51 S 4.9123 7.6505 113.3593 57.3920 66.1126 172.8719 52 T 5.0952 8.9589 115.6783 62.0338 72.9519 172.9144 53 D 5.4237 8.8993 125.2198 53.2839 43.1314 175.0821 54 Y 4.8623 9.1576 121.1180 57.3951 41.5674 177.5323 55 G 4.3468 8.9293 111.6212 45.1671 0.0000 173.5729 56 I 3.6175 8.2461 117.1015 63.4495 37.9902 178.0846 57 F 4.8435 7.9343 115.5449 56.3666 39.9132 175.2538 58 Q 3.5794 7.9933 119.2222 57.0951 26.6222 174.1685 59 I 4.3810 8.0984 118.8687 61.0477 39.3188 176.9927 60 N 5.3751 9.2022 126.1200 53.5067 39.7256 175.7851 61 S 4.6481 9.1419 120.4211 60.3995 63.4613 175.4760 62 R 3.8135 8.9662 122.5308 58.7939 30.2959 177.7261 63 Y 4.5793 7.9055 113.8861 57.1246 40.5889 176.7549 64 W 4.9009 8.0904 118.8794 57.5338 31.6407 173.8183 65 C 5.6087 8.1107 112.1621 53.7056 45.7083 172.4498 66 N 4.8942 8.9467 119.3449 52.1690 39.8735 174.8212 67 D 4.8021 8.7592 123.9493 52.1863 40.3307 176.9431 68 G 3.9506 8.5833 107.2526 46.2869 0.0000 174.4077 69 K 4.5172 8.1770 116.7454 56.4007 33.2441 175.8254 70 T 4.4635 7.7239 116.7950 61.3596 69.5785 171.9243 71 P 4.2757 0.0000 0.0000 64.4933 31.6307 176.1566 72 G 3.9815 8.8495 110.0249 46.1982 0.0000 172.9730 73 A 4.2747 7.6079 119.5629 51.5391 19.4450 177.8315 74 V 4.3164 8.3587 112.7435 59.4283 35.4194 176.2375 75 N 4.9319 8.0736 117.0356 52.1424 37.9744 174.5667 76 A 3.9653 8.9160 125.3363 54.6390 19.0714 178.4800 77 C 4.5500 8.5577 111.2523 57.2757 41.2392 173.1044 78 H 4.0650 7.7686 116.4817 56.4964 26.2629 173.8204 79 L 4.8075 8.4110 118.3920 52.8846 46.6134 176.5709 80 S 4.6059 8.3695 115.2381 58.0069 63.2284 176.0259 81 C 4.0773 8.6885 124.4858 59.7832 40.4003 176.4209 82 S 3.8661 7.8116 114.4153 61.2452 61.6594 175.9509 83 A 4.0409 7.8502 122.4832 54.3752 18.2093 178.4769 84 L 4.5081 7.9201 116.4768 54.8906 41.6226 177.5432 85 L 5.4547 7.5631 117.3416 53.7574 42.3062 176.6787 86 Q 4.3582 7.7953 117.6851 55.3735 29.5726 175.9890 87 D 4.4036 8.5950 120.5060 57.2257 41.1216 176.7985 88 N 4.5749 8.0226 118.1740 53.2305 39.2210 174.6672 89 I 4.2252 8.4836 118.8153 61.0399 38.0202 177.0107 90 A 3.9433 8.5608 125.0651 55.9713 18.1186 180.0376 91 D 4.2850 8.0795 116.4185 57.4664 40.9306 178.6689 92 A 4.0833 8.0207 120.8341 55.1735 18.4067 179.7496 93 V 3.3525 8.2414 116.9556 65.9440 31.6083 178.1176 94 A 3.8430 8.0094 120.5934 55.2699 18.1116 178.8593 95 C 4.2084 8.4693 116.9165 59.7236 38.5115 175.6140 96 A 3.8806 8.2756 122.8097 55.0400 17.5659 179.8168 97 K 3.8343 7.6255 116.4062 59.3286 32.2800 179.2314 98 R 4.0558 7.7572 119.0526 59.3174 30.1637 178.5022 99 V 2.3233 7.5512 118.2721 65.8243 30.8699 177.9393 100 V 3.9191 7.6437 109.3605 62.4992 31.2669 177.6560 101 R 4.3253 7.7117 117.5486 56.3974 30.7550 176.1788 102 D 4.7613 7.5176 119.6934 52.4016 41.9981 175.2953 103 P 4.2415 0.0000 0.0000 66.3940 30.9503 177.8412 104 Q 4.0103 8.1239 116.7910 56.0892 30.1993 176.7159 105 A 3.6797 7.5399 119.9055 51.9333 17.4550 180.3360 106 I 3.5704 7.8980 115.0457 65.6133 37.8109 177.7620 107 R 4.2678 7.3339 117.4530 57.7013 30.0238 177.3741 108 A 4.0741 7.7048 121.2830 54.4392 18.7322 177.8139 109 W 4.6523 8.1220 117.0380 55.6245 29.7098 177.5457 110 V 3.7402 8.7669 123.7189 65.9953 30.9121 177.5655 111 A 4.0109 8.3260 120.1688 54.9024 18.0974 179.2793 112 W 3.9685 8.3928 126.4831 60.6543 30.5893 178.4734 113 R 3.7660 8.2057 116.4452 59.3109 29.6626 178.3895 114 N 4.3642 8.2404 115.3427 55.6238 38.7127 176.8332 115 R 4.1054 7.7682 115.8038 55.8586 31.4839 175.9171 116 C 4.5333 7.1262 114.5003 57.8066 42.9350 174.2702 117 Q 3.1578 6.6791 119.7295 57.2596 28.7300 175.4487 118 N 4.1948 8.6392 120.1059 54.2542 36.2921 173.8380 119 R 4.5401 7.3103 114.6926 53.9530 33.5296 175.3448 120 D 4.5408 8.5248 118.9715 54.3043 40.6046 176.0600 121 V 4.6279 8.2407 119.1508 61.1653 32.8120 177.9738 122 R 4.0223 8.0459 121.5593 59.6229 29.4657 178.3224 123 Q 3.9435 8.2559 116.6151 60.0388 27.8744 178.8663 124 Y 4.2342 8.0113 117.1670 59.8858 38.2722 177.1952 125 V 4.3500 7.7812 110.9891 60.7008 32.9507 175.5704 126 Q 4.1535 7.6307 120.1608 57.4291 28.7251 177.1150 127 G 3.9362 8.9192 110.3137 46.1051 0.0000 174.4304 128 C 4.4620 8.1157 115.7849 56.4872 40.6140 173.9892 129 G 3.8538 8.1117 107.2849 46.7660 0.0000 174.2072 130 V 4.0029 7.8948 118.0722 61.0721 32.0091 175.8815 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 8.17 4.16 0.00 2.01 1.61 0.00 1.21 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 1.14 7.81 2 V 8.14 4.58 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 9.94 4.47 0.00 2.85 2.83 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 4 E 9.35 4.23 0.00 1.94 1.87 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 2.32 2.25 0.00 5 R 9.02 3.33 0.00 1.98 1.92 0.00 3.41 0.00 0.00 3.45 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 6 C 8.02 4.33 0.00 3.01 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 7 E 8.14 3.91 0.00 2.07 2.28 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 2.60 2.42 0.00 8 L 7.98 3.50 0.00 1.34 1.36 -0.23 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.92 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 10 R 8.08 3.91 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.54 3.85 4.21 0.00 0.00 0.00 0.00 0.00 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 12 L 8.24 3.97 0.00 1.69 1.56 0.88 0.44 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 13 K 8.09 3.87 0.00 1.95 1.94 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.91 3.91 0.00 2.04 1.93 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.40 4.34 0.00 1.69 1.55 0.88 0.75 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 16 G 7.94 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 0.00 0.00 0.00 17 M 7.76 3.97 0.00 1.29 1.94 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 18 D 8.01 4.61 0.00 2.69 2.68 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 19 G 9.23 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 20 Y 8.26 4.25 0.00 3.38 3.22 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 0.00 21 R 8.93 3.53 0.00 1.83 1.81 0.00 3.27 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 22 G 8.17 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.03 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 -0.34 0.00 0.00 24 S 8.32 4.59 0.00 4.06 4.03 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 25 L 8.99 4.23 0.00 2.04 1.81 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.15 1.52 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 27 N 8.20 4.46 0.00 2.86 2.78 0.00 0.00 7.00 6.97 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 28 W 8.08 4.33 0.00 3.54 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 29 M 8.45 4.14 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.93 0.00 30 C 8.08 3.23 0.00 2.59 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 31 L 8.15 4.00 0.00 1.90 1.92 0.60 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.34 4.22 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 33 K 8.25 2.89 0.00 1.74 1.74 0.00 0.65 0.00 0.00 0.92 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 0.52 7.81 34 W 7.83 4.17 0.00 3.35 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 35 E 8.36 4.35 0.00 2.02 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 0.00 2.59 2.57 0.00 36 S 7.75 4.51 0.00 4.02 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 37 G 8.22 3.41 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 0.00 0.00 0.00 0.00 38 Y 7.68 3.65 0.00 3.27 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 39 N 7.83 5.35 0.00 2.82 2.85 0.00 0.00 7.01 7.03 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 40 T 9.00 4.18 4.47 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 1.47 0.00 0.00 41 R 8.12 4.65 0.00 1.89 2.09 0.00 3.08 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 42 A 7.84 4.37 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 43 T 8.29 5.08 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 1.27 0.00 0.00 44 N 8.71 4.88 0.00 2.91 2.86 0.00 0.00 6.90 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 45 Y 8.74 4.66 0.00 3.00 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 46 N 8.26 4.87 0.00 2.66 2.58 0.00 0.00 6.71 7.86 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 47 A 8.25 3.56 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 48 G 8.05 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 0.00 0.00 0.00 49 D 7.51 4.72 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 50 R 8.08 4.06 0.00 2.05 2.20 0.00 3.14 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 51 S 7.65 4.91 0.00 3.97 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 52 T 8.96 5.10 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 0.62 0.00 0.00 53 D 8.90 5.42 0.00 2.72 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 54 Y 9.16 4.86 0.00 2.92 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 55 G 8.93 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 0.00 0.00 0.00 0.00 56 I 8.25 3.62 1.69 0.00 0.00 0.54 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 1.21 0.09 0.00 0.00 57 F 7.93 4.84 0.00 3.23 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 58 Q 7.99 3.58 0.00 2.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 59 I 8.10 4.38 2.14 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 1.40 1.07 1.12 0.00 0.00 60 N 9.20 5.38 0.00 3.10 3.05 0.00 0.00 6.98 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 61 S 9.14 4.65 0.00 4.07 4.39 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 62 R 8.97 3.81 0.00 1.64 1.43 0.00 2.68 0.00 0.00 2.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 63 Y 7.91 4.58 0.00 1.61 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 0.00 0.00 0.00 0.00 64 W 8.09 4.90 0.00 3.57 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 65 C 8.11 5.61 0.00 3.06 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 66 N 8.95 4.89 0.00 2.85 2.71 0.00 0.00 7.05 8.26 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 67 D 8.76 4.80 0.00 2.85 2.62 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 68 G 8.58 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 69 K 8.18 4.52 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.44 7.81 70 T 7.72 4.46 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 1.22 0.00 0.00 71 P 0.00 4.28 0.00 2.01 2.02 0.00 3.83 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 2.05 2.13 0.00 72 G 8.85 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 73 A 7.61 4.27 1.28 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 74 V 8.36 4.32 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 0.62 0.00 0.00 0.84 0.00 0.00 75 N 8.07 4.93 0.00 2.75 2.57 0.00 0.00 6.78 8.53 0.00 0.00 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 A 8.92 3.97 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 77 C 8.56 4.55 0.00 3.28 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 78 H 7.77 4.07 0.00 3.30 3.34 0.00 5.81 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 79 L 8.41 4.81 0.00 1.68 1.50 0.96 0.66 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 80 S 8.37 4.61 0.00 3.83 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 81 C 8.69 4.08 0.00 2.26 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 82 S 7.81 3.87 0.00 3.88 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 83 A 7.85 4.04 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 84 L 7.92 4.51 0.00 1.92 1.83 1.08 0.51 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 85 L 7.56 5.45 0.00 1.76 1.72 1.12 1.24 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 86 Q 7.80 4.36 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 87 D 8.60 4.40 0.00 2.62 2.67 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 0.00 0.00 0.00 0.00 88 N 8.02 4.57 0.00 2.70 2.75 0.00 0.00 6.96 7.94 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 89 I 8.48 4.23 1.78 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 1.59 0.91 0.99 0.00 0.00 90 A 8.56 3.94 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 91 D 8.08 4.29 0.00 2.75 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 92 A 8.02 4.08 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 93 V 8.24 3.35 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 0.71 0.00 0.00 0.85 0.00 0.00 94 A 8.01 3.84 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 95 C 8.47 4.21 0.00 3.12 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 96 A 8.28 3.88 0.74 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 97 K 7.63 3.83 0.00 1.63 1.44 0.00 1.26 0.00 0.00 0.76 0.00 0.00 2.44 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.85 7.81 98 R 7.76 4.06 0.00 1.98 2.14 0.00 3.29 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 1.84 1.97 0.00 99 V 7.55 2.32 1.76 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 -0.37 0.00 0.00 -0.43 0.00 0.00 100 V 7.64 3.92 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 1.15 0.00 0.00 1.39 0.00 0.00 101 R 7.71 4.33 0.00 2.02 2.04 0.00 3.24 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 102 D 7.52 4.76 0.00 3.09 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 0.00 103 P 0.00 4.24 0.00 2.15 2.20 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 104 Q 8.12 4.01 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.98 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 A 7.54 3.68 1.08 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 0.00 106 I 7.90 3.57 1.02 0.00 0.00 -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 -0.30 -0.36 -0.53 0.00 0.00 107 R 7.33 4.27 0.00 2.01 2.04 0.00 3.21 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 108 A 7.70 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.65 0.00 3.51 3.26 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 0.00 110 V 8.77 3.74 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 1.18 0.00 0.00 1.00 0.00 0.00 111 A 8.33 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 3.97 0.00 3.49 3.50 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 0.00 113 R 8.21 3.77 0.00 2.08 2.00 0.00 3.58 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.13 0.00 114 N 8.24 4.36 0.00 2.67 2.70 0.00 0.00 6.93 8.52 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 0.00 115 R 7.77 4.11 0.00 1.12 0.66 0.00 2.21 0.00 0.00 2.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.08 0.00 116 C 7.13 4.53 0.00 1.61 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 0.00 117 Q 6.68 3.16 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 118 N 8.64 4.19 0.00 2.78 2.81 0.00 0.00 6.81 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.31 4.54 0.00 1.77 1.77 0.00 3.22 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 120 D 8.52 4.54 0.00 2.64 2.62 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 0.00 121 V 8.24 4.63 2.39 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 0.96 0.00 0.00 1.05 0.00 0.00 122 R 8.05 4.02 0.00 1.96 2.04 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 123 Q 8.26 3.94 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.15 1.64 0.00 124 Y 8.01 4.23 0.00 3.21 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 0.00 125 V 7.78 4.35 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 1.02 0.00 0.00 1.06 0.00 0.00 126 Q 7.63 4.15 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.84 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 127 G 8.92 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 0.00 0.00 0.00 128 C 8.12 4.46 0.00 3.09 3.14 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 0.00 129 G 8.11 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 0.00 0.00 0.00 130 V 7.89 4.00 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 0.79 0.00 0.00 0.96 0.00 0.00