NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7812 8.3027 120.6631 56.1683 31.5095 171.4148 3 V 4.7643 8.0190 124.7668 59.5676 34.6456 172.8282 4 T 5.2603 9.1224 116.6307 60.0735 73.3934 171.7820 5 L 5.3877 9.2157 124.8882 53.4668 45.3792 175.1015 6 V 4.9636 8.9883 126.0852 61.1073 34.6469 173.4580 7 E 4.8226 9.4705 129.1380 54.6223 31.8524 174.4566 8 I 4.8758 8.5016 127.2316 59.6103 40.9394 173.8853 9 N 5.1767 8.8081 124.5520 51.7857 39.8411 174.4289 10 V 4.5084 8.2724 124.4079 60.5125 33.7351 175.7735 11 K 3.9899 9.0444 127.5261 56.7239 33.0373 177.4638 12 E 3.8934 9.1361 123.1995 59.8372 29.4212 178.3141 13 D 4.7293 8.0390 113.7525 54.6146 41.4844 176.7400 14 K 4.5304 8.3879 117.0380 56.6113 32.7334 177.7967 15 V 3.6244 7.4595 119.5479 66.1590 31.4437 177.3693 16 D 4.4315 8.2203 118.2269 56.8801 38.9461 178.6074 17 Q 4.0057 8.0790 118.8836 58.4314 28.7226 178.0453 18 F 4.1403 8.5299 121.9585 61.5459 39.3836 177.2676 19 I 3.5566 8.2804 119.6840 64.2028 36.9900 178.0497 20 E 3.8517 8.1355 120.1697 59.2100 29.5081 179.0629 21 V 3.3940 7.8694 118.4398 66.1211 31.5345 178.0966 22 F 3.7732 8.0432 117.5747 59.8774 38.5487 177.7787 23 R 3.8334 8.5864 118.8871 59.4165 29.9047 178.4796 24 A 3.8921 7.7557 120.1134 54.9367 18.2585 179.1443 25 N 4.1083 8.0197 115.6096 56.8873 39.0101 176.4226 26 H 2.8805 8.4619 120.1328 58.8498 29.7189 176.6465 27 L 3.8662 7.8001 120.9217 58.2951 42.0717 178.9899 28 G 3.3163 7.8181 105.3602 47.7113 0.0000 175.9232 29 S 4.6053 8.1760 119.5215 60.6691 62.6581 176.3940 30 I 3.8873 7.4953 113.8260 62.6195 37.4996 177.2500 31 R 4.4048 7.2008 118.5623 55.1760 30.5462 175.7687 32 E 4.2457 7.8796 120.8768 55.3784 30.1597 177.4551 33 A 3.9627 8.9363 127.4673 55.1505 18.7136 178.2261 34 G 3.9401 8.0535 102.2543 46.0404 0.0000 172.5528 35 N 4.6549 7.9519 119.4451 53.2369 39.1777 174.5342 36 L 4.6969 8.5258 124.5325 55.5133 44.6850 177.1661 37 R 4.6828 7.4147 115.5824 54.8482 34.8903 174.7224 38 F 5.3085 8.8161 124.3260 57.1406 40.5408 171.5110 39 D 5.1446 9.4575 124.0532 52.0988 43.4115 175.0565 40 V 4.7872 8.5639 122.8665 61.2728 33.3080 174.5542 41 L 5.2150 9.5352 127.4284 52.9420 45.7095 175.4471 42 R 4.9206 8.3638 115.4447 54.1464 32.6316 174.5098 43 D 4.4975 8.6170 121.0008 54.4654 41.3625 176.0487 44 E 3.9979 8.9527 125.3902 58.8672 29.9261 177.2111 45 H 4.7177 8.6648 113.8019 56.5973 31.3374 174.1333 46 I 4.0631 7.8340 121.0180 59.6680 36.9873 174.8802 47 P 4.1746 0.0000 0.0000 64.8962 31.4960 177.5003 48 T 4.3439 7.6977 106.2244 60.9748 69.1899 172.7781 49 R 4.5657 7.2282 123.5250 55.0540 31.6466 175.1208 50 F 5.2125 8.8292 124.7858 55.8446 43.1053 173.9003 51 Y 5.3506 9.0531 116.9645 56.4928 42.5173 174.5654 52 I 4.8904 9.0167 123.2228 59.7028 40.7220 173.6863 53 Y 5.1320 9.0706 129.0696 56.0213 40.6380 174.1702 54 E 4.9795 8.9498 125.8789 54.4804 33.9304 174.7940 55 A 5.1106 8.2545 123.4675 50.6568 22.9333 174.6549 56 Y 5.0485 8.7761 117.3575 56.2332 41.7851 175.8175 57 T 4.1676 8.8010 112.8134 65.0991 69.8102 173.4106 58 D 4.5691 7.6166 119.0567 51.3847 41.9579 175.6443 59 E 3.9188 8.6322 117.4412 59.3515 29.1299 179.2635 60 A 3.9486 8.0336 120.4771 55.0402 18.5298 179.3721 61 A 3.9087 8.4073 119.3634 55.0655 18.5619 179.9302 62 V 2.6690 7.5407 116.2869 65.8554 31.3027 178.1507 63 A 3.8192 7.5421 119.0067 55.0834 18.4276 179.1646 64 I 3.6933 7.8169 118.5753 64.8804 37.3364 177.7949 65 H 4.2273 7.9345 118.7733 59.4162 29.3672 176.6008 66 K 2.9088 7.1712 116.1762 56.8923 31.9609 177.9837 67 T 4.3973 7.4959 109.9035 60.9817 69.8648 175.1033 68 T 4.2873 6.9472 113.1509 60.6083 71.3802 173.7660 69 P 4.2451 0.0000 0.0000 66.0533 31.2741 178.7185 70 H 4.1568 8.0209 113.5668 58.6987 28.3643 177.0126 71 Y 3.9815 7.5327 122.0585 60.5136 38.6352 177.8811 72 L 3.8407 8.0080 120.2160 57.6246 41.6730 179.4337 73 Q 3.8811 8.3607 118.1446 59.2537 28.2245 178.4672 74 C 3.7618 7.4177 120.5492 62.0729 31.3913 175.4796 75 V 3.4052 7.2204 118.6730 66.0663 31.0911 177.2507 76 E 4.0500 7.8449 116.6613 59.8589 29.5460 179.2326 77 Q 4.1725 7.7506 114.8758 57.2585 29.2107 177.7155 78 L 4.1789 7.6805 122.5295 57.5451 41.9218 178.3830 79 A 3.9637 7.9091 120.6822 54.8846 18.3803 176.9076 80 P 4.3351 0.0000 0.0000 64.9705 31.6578 177.0286 81 L 4.4011 7.8361 118.1992 55.3241 41.6664 178.2218 *83 T 4.4023 7.8216 110.0161 61.4976 70.5199 173.2878 84 G 4.0807 7.4528 107.9163 43.9147 0.0000 170.2138 85 P 4.5594 0.0000 0.0000 61.8953 32.2448 176.0635 86 R 4.3923 8.2925 116.0221 56.3055 30.7950 175.5917 87 K 4.7065 8.8121 119.2468 54.4705 35.1811 175.1270 88 K 5.0747 8.7538 125.1658 54.8724 34.9935 174.9751 89 T 4.5127 9.1559 123.5256 61.6926 71.4697 173.0911 90 V 4.5728 8.0953 125.6994 61.4307 33.0129 174.7639 91 F 5.0387 9.0286 124.8615 55.6965 43.3137 174.2494 92 I 4.3193 8.5468 122.4222 60.1280 37.6568 175.9211 93 G 3.8518 8.6944 115.4805 45.1580 0.0000 172.9706 94 L 4.4467 8.4635 123.9095 54.2268 42.6743 174.2380 *96 P 4.3567 0.0000 0.0000 61.7070 32.3860 176.8380 97 G 3.9925 8.3160 107.3076 45.2467 0.0000 173.0157 98 S 4.0663 8.2555 113.4863 61.0696 62.8920 175.2802 99 L 4.1092 7.2150 118.5269 56.6280 42.1281 176.3733 100 E 4.1512 8.1402 122.7580 57.1555 29.2991 176.5575 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 2 H 8.30 4.78 0.00 3.36 3.39 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.02 4.76 2.30 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 0.77 0.00 0.00 0.89 0.00 0.00 4 T 9.12 5.26 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 5 L 9.22 5.39 0.00 2.20 1.90 1.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.99 4.96 2.17 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 1.07 0.00 0.00 1.02 0.00 0.00 7 E 9.47 4.82 0.00 2.13 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 1.98 1.58 0.00 8 I 8.50 4.88 1.86 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 1.32 0.54 0.98 0.00 0.00 9 N 8.81 5.18 0.00 2.55 2.69 0.00 0.00 6.93 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 10 V 8.27 4.51 2.06 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 0.81 0.00 0.00 0.37 0.00 0.00 11 K 9.04 3.99 0.00 1.84 1.75 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.44 7.81 12 E 9.14 3.89 0.00 2.03 2.05 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 2.42 2.34 0.00 13 D 8.04 4.73 0.00 2.65 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 14 K 8.39 4.53 0.00 1.88 1.84 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.74 7.81 15 V 7.46 3.62 2.16 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 1.25 0.00 0.00 1.06 0.00 0.00 16 D 8.22 4.43 0.00 3.01 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 17 Q 8.08 4.01 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 18 F 8.53 4.14 0.00 3.13 3.13 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 0.00 19 I 8.28 3.56 2.06 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 1.73 0.90 0.93 0.00 0.00 20 E 8.14 3.85 0.00 2.03 2.06 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 2.26 2.29 0.00 21 V 7.87 3.39 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 0.58 0.00 0.00 0.90 0.00 0.00 22 F 8.04 3.77 0.00 2.73 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 23 R 8.59 3.83 0.00 1.88 2.06 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 24 A 7.76 3.89 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 25 N 8.02 4.11 0.00 2.59 2.68 0.00 0.00 6.83 7.41 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 26 H 8.46 2.88 0.00 3.28 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.80 3.87 0.00 1.65 1.59 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.82 3.32 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 0.00 29 S 8.18 4.61 0.00 3.29 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 30 I 7.50 3.89 1.81 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 1.58 0.42 0.81 0.00 0.00 31 R 7.20 4.40 0.00 1.84 1.97 0.00 3.10 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 32 E 7.88 4.25 0.00 2.26 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 0.00 2.43 2.63 0.00 33 A 8.94 3.96 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 34 G 8.05 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 35 N 7.95 4.65 0.00 2.86 2.91 0.00 0.00 6.94 7.11 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 36 L 8.53 4.70 0.00 1.39 1.61 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.41 4.68 0.00 1.63 1.85 0.00 3.15 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 38 F 8.82 5.31 0.00 3.01 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 39 D 9.46 5.14 0.00 2.81 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 40 V 8.56 4.79 2.21 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 0.91 0.00 0.00 1.23 0.00 0.00 41 L 9.54 5.22 0.00 1.81 1.57 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.36 4.92 0.00 1.42 1.99 0.00 3.08 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 43 D 8.62 4.50 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 44 E 8.95 4.00 0.00 1.83 1.71 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 0.00 2.00 2.21 0.00 45 H 8.66 4.72 0.00 3.11 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.83 4.06 1.78 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 1.39 1.19 0.84 0.00 0.00 47 P 0.00 4.17 0.00 2.00 2.09 0.00 3.59 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 2.00 2.04 0.00 48 T 7.70 4.34 4.44 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 1.24 0.00 0.00 49 R 7.23 4.57 0.00 1.77 1.59 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.28 0.00 50 F 8.83 5.21 0.00 2.63 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 51 Y 9.05 5.35 0.00 2.91 2.84 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 52 I 9.02 4.89 1.83 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.77 0.64 0.00 0.00 53 Y 9.07 5.13 0.00 2.89 2.79 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 54 E 8.95 4.98 0.00 1.89 1.78 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 1.47 1.90 0.00 55 A 8.25 5.11 0.95 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 56 Y 8.78 5.05 0.00 2.82 2.85 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 57 T 8.80 4.17 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 1.30 0.00 0.00 58 D 7.62 4.57 0.00 2.84 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 59 E 8.63 3.92 0.00 2.05 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 0.00 2.40 2.45 0.00 60 A 8.03 3.95 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 61 A 8.41 3.91 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 62 V 7.54 2.67 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 0.69 0.00 0.00 0.69 0.00 0.00 63 A 7.54 3.82 1.29 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 0.00 0.00 64 I 7.82 3.69 1.97 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 1.37 0.75 0.90 0.00 0.00 65 H 7.93 4.23 0.00 3.03 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.17 2.91 0.00 1.62 1.42 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.43 1.19 7.81 67 T 7.50 4.40 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 1.19 0.00 0.00 68 T 6.95 4.29 3.97 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 1.27 0.00 0.00 69 P 0.00 4.25 0.00 2.17 2.13 0.00 3.58 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 2.11 2.13 0.00 70 H 8.02 4.16 0.00 3.37 3.51 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.53 3.98 0.00 2.74 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 72 L 8.01 3.84 0.00 1.73 1.67 0.98 1.04 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 73 Q 8.36 3.88 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 74 C 7.42 3.76 0.00 2.75 2.79 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 75 V 7.22 3.41 1.82 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 0.79 0.00 0.00 0.27 0.00 0.00 76 E 7.84 4.05 0.00 2.03 1.96 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 2.31 2.31 0.00 77 Q 7.75 4.17 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 78 L 7.68 4.18 0.00 1.94 1.66 1.20 1.26 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 79 A 7.91 3.96 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 80 P 0.00 4.34 0.00 2.07 2.15 0.00 3.87 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 2.03 2.13 0.00 81 L 7.84 4.40 0.00 1.96 1.79 1.05 0.65 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 *83 T 7.82 4.40 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 1.23 0.00 0.00 84 G 7.45 4.08 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 0.00 85 P 0.00 4.56 0.00 2.21 2.07 0.00 3.77 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 86 R 8.29 4.39 0.00 1.99 2.03 0.00 3.04 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 87 K 8.81 4.71 0.00 1.72 1.74 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.50 7.81 88 K 8.75 5.07 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.47 7.81 89 T 9.16 4.51 4.14 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 0.43 0.00 0.00 90 V 8.10 4.57 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 0.76 0.00 0.00 0.89 0.00 0.00 91 F 9.03 5.04 0.00 3.03 2.87 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 92 I 8.55 4.32 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.94 0.00 0.00 93 G 8.69 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 94 L 8.46 4.45 0.00 1.71 1.68 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *96 P 0.00 4.36 0.00 2.21 2.10 0.00 3.92 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 1.90 1.98 0.00 97 G 8.32 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 0.00 0.00 0.00 98 S 8.26 4.07 0.00 4.00 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 99 L 7.22 4.11 0.00 1.61 1.85 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.14 4.15 0.00 2.04 1.86 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 2.35 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.