NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8456 8.1976 109.7419 45.7724 0.0000 175.4178 *2 T 4.3894 9.0062 114.3332 61.2373 71.2663 175.5070 3 T 4.3052 7.3716 109.1482 61.3740 69.6745 174.8806 4 F 4.0757 8.2648 124.5249 59.1770 39.6594 173.9881 5 T 4.1695 7.2233 123.5526 61.0541 70.0667 173.8844 6 L 3.9420 7.9834 129.0115 54.2432 43.0242 176.5180 7 D 4.3488 9.4628 125.5919 54.5760 42.7839 177.3750 8 E 3.9418 8.8030 124.5274 59.7423 29.4349 179.6851 9 R 3.9879 8.5724 119.2526 58.9147 30.1517 178.8707 10 L 4.0347 7.9573 118.5066 57.3610 41.4323 178.7203 11 E 3.8688 8.0313 118.7219 59.3938 29.6416 178.7543 12 R 4.0078 7.7102 116.9685 59.5010 30.3694 177.6835 13 D 4.6209 8.4663 116.5529 54.4358 41.4879 176.4396 14 G 4.1915 7.3645 106.4789 44.3038 0.0000 173.0474 15 I 4.5115 8.7016 124.4504 58.5824 38.8737 173.6082 16 P 4.6745 0.0000 0.0000 62.9117 31.4788 176.2146 17 I 4.3378 9.5192 114.8586 59.7719 38.5892 174.8220 18 G 4.3696 7.0184 107.4328 44.0152 0.0000 172.4000 19 T 4.8096 7.6737 115.9626 61.6644 72.4156 175.0039 20 L 4.5772 8.6546 129.2230 54.7907 42.1509 177.5604 21 G 3.6707 8.8908 110.0474 49.6259 0.0000 174.3000 22 L 4.1758 9.2567 123.6293 56.6820 43.5047 175.7142 23 C 5.1251 8.3584 116.3112 58.2324 30.4667 175.2001 24 Q 4.1014 8.5104 123.3479 55.7670 30.9850 175.1645 *26 R 4.4001 8.4817 118.6542 57.0604 31.8677 175.1538 27 L 4.5193 8.4061 128.2207 54.6201 44.5442 176.8306 *29 N 4.8581 8.3449 107.4465 52.9525 39.0520 174.0822 30 D 4.5881 7.7523 118.6667 53.0214 42.8795 175.1988 31 R 2.8841 8.5993 127.5644 57.0855 30.2103 177.6698 32 R 3.5805 7.8069 115.8170 58.8440 30.0979 176.9267 33 W 5.1472 7.5325 115.2782 53.8793 33.1566 172.9725 34 P 4.7334 0.0000 0.0000 62.8286 31.8986 175.3516 35 W 5.7863 9.2144 134.8936 56.1640 33.3995 173.8174 36 L 5.3594 9.6862 128.0098 52.9894 44.3638 175.5715 37 I 5.2283 9.1425 115.5624 59.2267 40.3499 174.5646 38 L 4.8870 9.1628 125.6033 53.0914 44.0851 175.4689 39 V 4.5912 8.7705 124.4792 60.2666 33.6581 172.9519 40 P 4.4843 0.0000 0.0000 62.1192 31.7397 177.6896 41 Q 2.5200 7.7134 125.5293 54.4504 26.3019 176.1894 42 R 4.5399 6.8094 116.5515 53.7684 34.0131 176.1449 43 A 4.2268 8.7598 125.5146 53.5323 19.2328 176.8547 44 D 4.4019 8.6483 120.6032 55.6688 38.5186 174.1158 45 I 4.4343 7.6021 118.9815 59.4630 39.2858 176.8872 46 K 4.7664 9.2028 123.9849 56.1560 34.5187 176.3298 47 E 4.4618 7.6082 117.8652 53.6817 32.0941 176.8894 48 V 3.5012 8.1828 122.0614 65.9316 31.6796 177.8665 49 F 4.5231 7.6536 112.7240 58.6568 38.0060 175.9422 50 E 4.1498 7.5659 120.7258 58.3577 29.5796 177.3693 51 L 4.1995 7.3941 118.4287 54.1331 42.3696 177.5866 52 T 4.0804 8.2199 111.4799 61.2797 70.5908 173.4799 53 P 4.2221 0.0000 0.0000 65.7885 31.1985 178.6609 54 L 3.9699 7.8613 117.2927 58.4525 42.1195 178.3711 55 D 4.4925 8.2056 117.7967 57.3324 40.9569 178.4232 56 Q 4.1699 8.3567 118.8055 58.6520 28.7421 178.5996 57 A 3.9521 7.8741 120.0781 52.5322 18.4369 178.9780 *59 L 4.1641 7.9061 124.6706 57.0459 44.1811 178.8508 60 T 3.6665 7.7645 115.1510 66.9322 68.3222 176.5816 61 F 4.2730 7.6898 118.7289 60.1074 38.9232 177.8703 62 E 3.9962 8.2282 118.0069 59.8182 29.3777 179.2140 63 T 3.8925 8.2386 116.0334 66.8686 68.4745 176.4450 64 N 4.4623 8.2891 118.3415 55.8103 38.6064 177.1993 65 L 3.9707 8.4529 122.2981 58.3065 42.1337 179.3352 66 V 3.5723 8.0058 117.7853 65.8258 31.4962 177.6040 67 A 4.0225 8.6366 120.6507 55.3613 18.2620 179.5205 68 A 4.0948 8.3037 119.3396 55.2548 18.4025 180.1725 69 G 3.5275 8.3472 104.4018 47.7219 0.0000 175.6207 70 L 4.0376 8.6880 123.3364 57.8439 42.1376 179.0539 71 K 3.9692 8.1819 119.4742 59.4310 31.9534 178.7141 72 K 3.9577 7.8711 118.4404 59.5049 32.2079 178.3417 73 A 4.2016 8.4226 120.7855 54.5201 18.4260 178.6919 74 T 4.5940 8.0165 105.5621 60.6028 69.8805 175.2356 75 G 3.9073 8.0582 108.9446 46.1973 0.0000 173.7322 76 A 4.1224 7.5893 122.0485 52.1695 18.7985 178.8908 77 E 4.2161 8.6413 121.1599 58.9989 30.4083 177.3137 78 K 4.6720 8.3162 119.5047 55.1751 36.1288 174.9577 79 I 4.9009 8.4028 126.9804 60.2867 39.0011 174.6562 80 N 5.1235 9.2204 123.0470 51.5087 41.5845 173.5659 81 I 5.1684 8.5526 123.2684 59.6104 40.5249 175.1408 82 G 4.1165 9.3574 112.2497 44.6845 0.0000 171.6129 83 A 4.5817 8.5225 124.6217 50.8767 20.1723 174.7763 84 L 3.9881 8.6861 120.5256 52.0821 43.9256 177.2977 85 G 4.2673 8.2579 107.8231 46.6290 0.0000 174.3460 86 N 4.4225 8.1476 119.1776 55.8478 38.2117 176.2752 87 I 3.9068 7.1923 118.2604 61.9155 38.2847 175.4017 88 V 4.1933 7.3959 121.0331 61.3859 32.5623 177.3745 89 R 4.0923 8.5509 127.4058 58.8402 30.3774 177.0729 90 Q 4.3633 8.0549 118.6688 55.9368 29.3605 175.5229 91 L 4.2143 8.5590 128.5052 55.8504 42.4541 175.8362 92 H 5.1375 8.5305 120.4378 54.3039 31.8924 172.7793 93 V 4.4905 8.8082 121.4910 61.3756 33.8044 174.3727 94 H 5.2309 9.4088 126.6987 55.9681 30.2216 174.9092 95 V 4.8836 9.5696 122.6500 61.4408 34.5006 174.0007 96 I 5.1142 8.9249 129.0900 59.3697 40.5190 174.6189 97 A 4.8599 9.2065 129.4013 51.1513 19.8220 176.7922 98 R 5.2179 9.2076 121.4505 54.6152 34.7010 174.8063 99 R 4.4695 9.2106 116.5793 54.2350 33.2706 174.1534 100 E 2.0000 7.5501 122.0401 57.5163 29.7316 177.5127 101 G 3.8913 8.4596 114.5617 45.0827 0.0000 173.0030 102 D 4.6134 7.8464 119.6169 51.6900 40.4190 173.9164 103 P 4.4639 0.0000 0.0000 63.9474 31.7636 176.1000 104 N 3.7998 8.9050 119.0657 53.6116 37.3121 173.1514 105 W 4.2585 8.0558 126.5152 56.9630 31.0564 173.7981 106 P 2.9700 0.0000 0.0000 61.7699 30.8367 175.7217 107 G 3.6429 7.7049 109.5434 44.1850 0.0000 171.8954 108 P 4.0281 0.0000 0.0000 62.1860 32.1575 177.1274 109 V 2.6521 6.5622 112.4431 63.1360 31.5030 176.8909 110 W 4.3731 6.9771 120.1662 57.8666 29.0467 176.4135 111 G 3.9848 9.3238 111.4310 45.4665 0.0000 172.4880 112 F 4.5847 8.3569 122.7124 57.3153 40.0612 176.4612 113 G 3.4247 8.1430 119.1682 45.4281 0.0000 171.2303 114 K 4.4803 8.2557 120.7418 53.8679 34.4948 176.7394 115 A 4.5256 8.6164 128.2940 52.2173 19.0205 176.4326 116 E 4.6174 8.7292 121.9234 53.5890 31.1497 173.9203 117 P 4.7967 0.0000 0.0000 62.6078 31.9864 176.3854 118 W 4.1778 9.5127 123.2929 56.1325 29.7113 174.7749 119 P 4.4895 0.0000 0.0000 62.3708 31.9857 176.9500 120 E 3.7240 8.8389 120.9850 59.5919 29.5389 178.8252 121 E 3.8992 8.1013 118.6842 59.1804 29.7133 178.0159 122 E 4.0843 8.3637 119.1304 59.8773 29.6317 178.4758 123 H 3.8153 8.4267 114.9428 58.3793 28.6244 177.8369 124 R 3.9004 7.8070 120.6563 59.2902 29.8705 179.0896 125 T 3.8662 8.2313 115.8413 66.6418 68.4728 176.5302 126 F 4.2825 8.6272 122.7224 61.1766 39.1537 176.8787 127 A 3.6647 7.9173 119.3279 55.1447 18.2495 179.1351 128 A 4.0007 7.6888 117.9864 55.2263 18.4606 179.5380 129 R 4.2601 7.6260 117.8211 58.9084 30.4142 179.1847 130 I 3.5078 7.1680 115.7683 62.3628 36.5340 177.5035 *132 E 4.3114 8.1617 121.1084 55.8792 31.1866 176.8033 133 N 4.8449 7.7819 113.5916 52.8576 40.2235 174.7292 134 L 4.1646 7.8672 122.7308 55.0256 41.6552 176.7678 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 0 G 8.20 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 *2 T 9.01 4.39 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 1.23 0.00 0.00 3 T 7.37 4.31 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 1.23 0.00 0.00 4 F 8.26 4.08 0.00 2.97 3.05 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 5 T 7.22 4.17 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 1.05 0.00 0.00 6 L 7.98 3.94 0.00 1.59 1.50 1.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.46 4.35 0.00 2.71 2.50 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 8 E 8.80 3.94 0.00 2.30 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 0.00 2.36 1.98 0.00 9 R 8.57 3.99 0.00 2.01 2.01 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 10 L 7.96 4.03 0.00 1.80 1.68 0.81 0.66 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 11 E 8.03 3.87 0.00 2.03 2.12 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 2.30 2.35 0.00 12 R 7.71 4.01 0.00 1.96 2.07 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 13 D 8.47 4.62 0.00 2.66 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 14 G 7.36 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 15 I 8.70 4.51 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.69 0.00 0.00 16 P 0.00 4.67 0.00 2.06 2.06 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 17 I 9.52 4.34 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.89 0.00 0.00 18 G 7.02 4.37 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 0.00 19 T 7.67 4.81 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 1.25 0.00 0.00 20 L 8.65 4.58 0.00 1.70 1.52 0.93 0.92 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 21 G 8.89 3.67 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 0.00 0.00 0.00 22 L 9.26 4.18 0.00 1.72 1.89 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.36 5.13 0.00 3.00 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 24 Q 8.51 4.10 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 *26 R 8.48 4.40 0.00 1.79 1.93 0.00 3.13 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 27 L 8.41 4.52 0.00 1.66 1.27 1.19 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *29 N 8.34 4.86 0.00 2.79 2.86 0.00 0.00 6.51 8.47 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 30 D 7.75 4.59 0.00 2.73 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 31 R 8.60 2.88 0.00 0.77 1.27 0.00 2.89 0.00 0.00 2.48 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 32 R 7.81 3.58 0.00 0.86 0.66 0.00 2.79 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.37 0.00 33 W 7.53 5.15 0.00 3.22 3.06 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 34 P 0.00 4.73 0.00 2.34 2.12 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 35 W 9.21 5.79 0.00 3.61 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 36 L 9.69 5.36 0.00 1.88 1.65 0.99 0.63 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 37 I 9.14 5.23 1.96 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 1.38 0.71 1.10 0.00 0.00 38 L 9.16 4.89 0.00 1.63 1.62 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.77 4.59 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 1.31 0.00 0.00 0.99 0.00 0.00 40 P 0.00 4.48 0.00 1.85 1.87 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 41 Q 7.71 2.52 0.00 1.70 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.58 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 42 R 6.81 4.54 0.00 1.68 1.77 0.00 3.35 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 43 A 8.76 4.23 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 44 D 8.65 4.40 0.00 2.84 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 45 I 7.60 4.43 1.87 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 1.66 1.03 0.87 0.00 0.00 46 K 9.20 4.77 0.00 1.78 1.92 0.00 1.51 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.29 7.81 47 E 7.61 4.46 0.00 1.16 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 1.98 1.68 0.00 48 V 8.18 3.50 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 0.99 0.00 0.00 0.88 0.00 0.00 49 F 7.65 4.52 0.00 3.10 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 50 E 7.57 4.15 0.00 1.96 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 2.27 1.81 0.00 51 L 7.39 4.20 0.00 1.75 1.59 0.88 0.66 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 52 T 8.22 4.08 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 1.21 0.00 0.00 53 P 0.00 4.22 0.00 2.19 2.16 0.00 3.62 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 2.13 2.17 0.00 54 L 7.86 3.97 0.00 1.63 1.71 0.95 1.20 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 55 D 8.21 4.49 0.00 2.79 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 56 Q 8.36 4.17 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 57 A 7.87 3.95 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 *59 L 7.91 4.16 0.00 1.79 1.90 0.90 0.76 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 60 T 7.76 3.67 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 0.54 0.00 0.00 61 F 7.69 4.27 0.00 3.14 3.10 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 0.00 0.00 0.00 62 E 8.23 4.00 0.00 2.02 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 2.43 2.45 0.00 63 T 8.24 3.89 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 1.22 0.00 0.00 64 N 8.29 4.46 0.00 2.79 2.91 0.00 0.00 6.67 6.25 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 65 L 8.45 3.97 0.00 1.93 1.92 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.01 3.57 2.31 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 1.01 0.00 0.00 0.97 0.00 0.00 67 A 8.64 4.02 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 68 A 8.30 4.09 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 69 G 8.35 3.53 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 0.00 70 L 8.69 4.04 0.00 1.92 1.98 1.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.18 3.97 0.00 1.93 2.00 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.64 7.81 72 K 7.87 3.96 0.00 1.94 1.99 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 73 A 8.42 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 74 T 8.02 4.59 4.37 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 1.56 0.00 0.00 75 G 8.06 3.91 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 0.00 0.00 0.00 76 A 7.59 4.12 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 77 E 8.64 4.22 0.00 1.72 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 2.23 2.20 0.00 78 K 8.32 4.67 0.00 2.00 1.77 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.53 7.81 79 I 8.40 4.90 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 1.00 0.00 0.00 80 N 9.22 5.12 0.00 2.36 2.59 0.00 0.00 6.74 7.05 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 81 I 8.55 5.17 1.91 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 1.34 0.66 0.95 0.00 0.00 82 G 9.36 4.12 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 0.00 0.00 0.00 83 A 8.52 4.58 1.14 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 84 L 8.69 3.99 0.00 1.36 1.23 -0.49 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.26 4.27 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 0.00 86 N 8.15 4.42 0.00 2.72 2.88 0.00 0.00 7.13 7.45 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 87 I 7.19 3.91 1.94 0.00 0.00 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 1.34 0.52 0.96 0.00 0.00 88 V 7.40 4.19 2.13 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 1.04 0.00 0.00 0.94 0.00 0.00 89 R 8.55 4.09 0.00 1.88 1.96 0.00 3.34 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 90 Q 8.05 4.36 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 91 L 8.56 4.21 0.00 1.72 1.57 0.90 1.23 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 92 H 8.53 5.14 0.00 3.16 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.81 4.49 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 0.95 0.00 0.00 0.91 0.00 0.00 94 H 9.41 5.23 0.00 3.52 3.63 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 9.57 4.88 2.22 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 1.16 0.00 0.00 1.02 0.00 0.00 96 I 8.92 5.11 1.48 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.30 0.51 0.00 0.00 97 A 9.21 4.86 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 98 R 9.21 5.22 0.00 2.00 2.17 0.00 3.20 0.00 0.00 2.79 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 0.00 99 R 9.21 4.47 0.00 1.56 1.83 0.00 2.73 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 100 E 7.55 2.00 0.00 1.25 1.45 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 2.05 1.91 0.00 101 G 8.46 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 0.00 102 D 7.85 4.61 0.00 2.99 2.88 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 0.00 103 P 0.00 4.46 0.00 1.86 2.12 0.00 3.35 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.89 0.00 104 N 8.91 3.80 0.00 1.44 2.25 0.00 0.00 6.85 7.95 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 0.00 105 W 8.06 4.26 0.00 3.75 3.04 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 0.00 106 P 0.00 2.97 0.00 1.40 0.83 0.00 3.56 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 107 G 7.70 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 0.00 108 P 0.00 4.03 0.00 2.22 2.12 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 109 V 6.56 2.65 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 -1.10 0.00 0.00 -1.58 0.00 0.00 110 W 6.98 4.37 0.00 3.42 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 0.00 111 G 9.32 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 0.00 112 F 8.36 4.58 0.00 3.07 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 0.00 113 G 8.14 3.42 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 0.00 114 K 8.26 4.48 0.00 1.90 1.62 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 0.96 7.81 115 A 8.62 4.53 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 0.00 116 E 8.73 4.62 0.00 1.76 1.74 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 2.14 2.28 0.00 117 P 0.00 4.80 0.00 2.12 2.11 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 118 W 9.51 4.18 0.00 3.35 3.36 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 0.00 119 P 0.00 4.49 0.00 2.26 2.01 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 120 E 8.84 3.72 0.00 2.09 1.94 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 2.37 2.39 0.00 121 E 8.10 3.90 0.00 2.08 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 2.41 2.38 0.00 122 E 8.36 4.08 0.00 2.24 2.47 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 2.83 2.56 0.00 123 H 8.43 3.82 0.00 2.84 3.37 0.00 5.52 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 0.00 124 R 7.81 3.90 0.00 2.03 2.00 0.00 3.12 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 125 T 8.23 3.87 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 126 F 8.63 4.28 0.00 3.10 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 0.00 127 A 7.92 3.66 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 0.00 128 A 7.69 4.00 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 0.00 129 R 7.63 4.26 0.00 1.96 1.92 0.00 3.27 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 130 I 7.17 3.51 1.71 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 0.63 0.40 0.79 0.00 0.00 *132 E 8.16 4.31 0.00 2.19 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 2.28 2.40 0.00 133 N 7.78 4.84 0.00 2.77 2.93 0.00 0.00 7.00 7.16 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 0.00 134 L 7.87 4.16 0.00 1.62 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.