NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2740 8.2531 123.5801 51.9184 20.9363 177.6051 4 G 3.8861 7.8124 101.7875 45.3483 0.0000 170.9349 5 V 4.0712 8.1160 124.6929 65.2287 32.0704 180.0243 6 A 4.2044 8.2500 118.9232 55.6910 17.8862 178.6545 7 A 4.1232 7.5820 115.0727 53.2350 18.6881 178.4806 8 W 4.6378 8.5005 117.7015 57.3248 29.9976 178.0181 9 L 4.0476 7.7076 120.5777 57.7009 41.4837 177.1347 10 P 4.1936 0.0000 0.0000 65.6946 30.7137 178.2904 11 F 4.4082 7.4569 117.0123 60.1551 38.9761 177.2314 12 A 4.2476 8.6199 123.5849 55.9581 18.5003 180.2650 13 R 3.9643 8.2067 118.2375 61.8452 28.1039 180.5412 14 A 4.2371 8.1466 119.8656 55.0839 18.1874 178.8647 15 A 3.9367 8.2013 116.8362 53.2263 18.9730 179.0790 16 A 4.3207 8.2063 122.3527 54.5987 18.5326 177.9459 17 I 3.6014 6.5445 115.3697 62.0918 35.0379 176.7682 18 G 4.0704 8.8479 116.0606 45.2330 0.0000 174.4184 *19 W 4.1654 7.8457 121.4361 57.7681 32.5077 176.7482 20 M 3.0895 8.9650 126.6721 55.8824 30.2446 175.0496 21 P 4.5063 0.0000 0.0000 63.4939 32.6432 177.0029 22 V 4.0966 8.0900 113.4519 61.5633 32.7481 175.7764 23 A 4.3556 8.0908 120.6239 54.1402 18.1266 176.5549 24 N 4.7996 7.5868 114.0093 52.9525 42.1949 178.6847 25 C 3.7412 8.4471 109.6625 59.6708 24.4582 169.1843 26 P 4.6784 0.0000 0.0000 60.6473 30.4539 177.3836 27 M 4.5163 7.0585 112.6541 54.1923 33.8492 175.1219 28 P 4.4608 0.0000 0.0000 64.5745 32.8648 176.3632 29 L 3.9326 7.9701 119.0163 53.6500 41.9161 179.3732 30 A 4.2499 8.2985 127.9265 51.4653 19.8547 176.9683 *37 R 4.2696 7.8790 115.6451 56.4555 31.1624 171.8468 38 Q 4.8943 8.3632 116.0340 56.9723 30.7414 174.2837 39 D 5.0524 8.6933 116.1439 52.7427 43.1864 176.2834 40 E 5.1016 8.6054 123.8653 54.5036 33.7232 174.8250 41 L 4.6691 8.5349 121.9101 54.2549 42.9897 176.3139 42 I 4.6863 9.1096 116.4990 59.2191 41.1058 174.4609 43 V 4.7741 8.5478 122.5767 61.3794 34.1415 174.1717 44 L 5.2007 9.4973 130.0763 52.9964 43.3645 175.3111 45 N 4.8294 9.6574 125.0486 53.5095 39.9590 173.9958 46 V 4.4555 8.7815 128.0104 61.1659 32.5057 174.7109 47 S 3.7696 8.6821 119.0020 58.0678 62.4069 171.3561 48 G 3.5921 7.6050 112.8376 46.0800 0.0000 174.9843 49 R 3.6694 7.9025 122.6603 56.1359 30.1082 176.2772 50 R 4.6515 8.1135 123.2493 54.9037 29.6853 176.0601 51 F 4.3763 9.2759 123.6747 57.3190 40.3967 174.5370 52 Q 5.1423 8.5696 120.1886 54.7330 32.2853 174.4186 53 T 4.5547 8.3338 115.4071 60.5697 71.7633 172.8342 54 W 4.8393 8.6755 125.9067 56.4081 30.2830 177.2643 55 R 4.0044 9.5492 123.9916 60.0001 29.3708 178.7285 56 T 4.0890 7.5503 109.5241 65.6872 68.1658 175.8777 57 T 4.0023 8.1331 118.2809 66.5833 68.4919 176.3732 58 L 4.1410 8.1571 120.5581 57.7024 41.6247 179.0599 59 E 4.1597 7.8265 117.2967 58.9419 29.3937 178.9067 60 R 4.1037 7.5938 118.1563 57.9729 30.9744 175.7495 61 Y 4.4244 7.7871 116.4501 54.8209 38.2121 173.0049 62 P 4.7016 0.0000 0.0000 62.3866 32.5742 176.6530 63 D 4.5811 8.8627 114.4914 53.9484 37.8798 173.3535 64 T 4.6247 6.9617 108.8335 60.8057 71.1649 175.3805 65 L 3.8264 8.0040 125.7074 60.2222 43.3602 178.9876 66 L 3.9701 7.9613 118.1017 57.6190 41.9076 179.0841 67 G 4.3854 8.2975 107.1392 47.4311 0.0000 172.8876 68 S 5.1192 7.6769 114.5415 57.2477 65.6055 173.8757 69 T 4.0709 8.4284 112.2191 65.0134 67.1600 176.6431 70 E 4.1621 8.4280 121.6336 59.5055 29.4573 178.8286 71 K 4.5182 8.0197 117.9809 59.7780 32.2263 178.2815 72 E 4.1281 8.7458 121.2862 59.2521 29.2425 178.0339 73 F 4.6420 8.3994 116.0741 58.8844 39.2780 175.4912 74 F 4.8097 8.7606 117.1322 56.9732 40.5861 174.6716 75 F 4.5166 8.2241 122.6337 57.5979 40.3249 174.2295 76 N 4.5191 7.7112 124.8286 51.7941 39.8131 174.6977 77 E 3.8456 9.0112 127.7750 59.5951 29.1737 177.4454 78 D 4.4016 7.3219 117.9972 56.6590 41.2522 177.6218 79 T 3.7474 7.8029 113.1953 62.6995 69.0140 173.8628 80 K 3.5735 7.4617 122.3990 56.4455 31.3113 173.9596 81 E 4.7717 6.7125 111.7749 54.7798 33.4129 173.6357 82 Y 4.7085 8.6530 119.5786 57.9901 39.2306 174.4491 83 F 5.2970 8.8069 126.1009 56.3416 42.4276 174.0754 84 F 4.8821 8.2871 124.0647 55.0831 42.2146 175.0873 85 D 4.8196 8.6942 124.6995 54.5713 41.4204 175.7460 86 R 4.3816 7.4066 116.7773 53.7895 32.2634 175.7822 87 D 4.4918 8.3232 118.5127 54.0676 41.5971 175.1756 88 P 4.2475 0.0000 0.0000 65.4183 32.3151 177.1898 89 E 4.1853 8.4485 119.7272 59.2692 30.0042 178.7420 90 V 3.7153 9.8983 119.1844 65.8349 32.0519 177.6337 91 F 3.4026 7.8852 121.2505 61.2010 38.8403 177.1781 92 R 3.9805 8.1348 117.6906 59.6751 29.8760 178.7089 93 C 4.1236 8.2424 116.0596 62.7477 27.9820 175.9973 94 V 3.3385 7.4634 117.9204 65.9168 31.0864 177.2239 95 L 3.7463 7.5718 119.8234 58.3263 41.8419 178.7434 96 N 4.3824 8.6720 116.2821 56.0236 37.1187 177.1475 97 F 4.4332 8.4257 124.2803 60.8675 39.2231 176.7348 98 Y 3.9594 8.2531 115.5046 61.0807 37.6545 177.1746 99 R 4.2541 7.3535 117.0367 57.2656 30.9310 176.6006 100 T 4.2538 7.5673 109.0839 60.8397 70.2912 176.2810 101 G 3.7097 8.6141 112.0196 48.4326 0.0000 174.0327 102 K 4.2594 7.5478 118.7922 55.7220 33.2146 176.0199 103 L 4.6845 8.6931 126.8713 54.2960 43.4376 174.6284 104 H 4.9234 8.8584 123.3960 54.3484 31.0804 174.1913 105 Y 4.1141 8.4966 123.4530 55.1112 38.6001 173.2197 106 P 3.8009 0.0000 0.0000 63.4796 30.3898 178.5869 107 R 3.8647 8.0211 122.0473 56.3108 28.7391 174.3350 108 Y 4.6325 7.9329 118.2737 59.2512 39.8374 176.2924 109 E 4.0940 6.6257 118.0069 55.7765 29.9932 176.6375 110 C 4.3950 8.4873 120.9609 59.4289 33.4053 173.7500 111 I 3.7776 8.6732 128.3409 65.1573 36.7520 177.9026 112 S 4.0922 8.1729 112.3487 61.9155 61.8979 176.2585 113 A 4.0673 7.7250 121.7183 54.9784 18.0433 178.1242 114 Y 4.5852 8.3630 116.2076 58.3627 39.8791 177.6099 115 D 4.1717 8.1448 119.7182 57.3907 40.9948 177.6247 116 D 4.4212 7.9852 119.4174 57.7621 40.9158 179.1608 117 E 3.9263 7.6586 118.7964 59.4639 29.4937 179.3509 118 L 3.8944 7.7223 118.7315 57.7774 41.7190 179.5003 119 A 3.9527 8.3009 121.0237 54.8941 18.0488 179.4754 120 F 3.9925 7.7140 117.9275 61.6661 39.5203 176.5187 121 Y 4.3229 7.8345 114.1647 58.1975 37.4366 176.9115 122 G 3.8155 7.5120 107.3437 45.7464 0.0000 173.1209 123 I 4.1015 7.2636 120.0105 58.9719 38.6834 175.7028 124 L 4.0965 8.3874 125.2936 54.4888 42.2173 176.4438 125 P 3.8089 0.0000 0.0000 64.9611 32.1612 176.6193 126 E 4.5239 7.5958 113.5908 55.3323 28.9842 175.8678 127 I 4.1469 7.5502 116.2664 61.9112 37.8688 177.0637 128 I 3.9338 6.7821 121.9018 60.4027 37.5155 176.7638 129 G 3.8673 8.4791 111.3515 44.6493 0.0000 174.2123 130 D 4.4505 8.5557 120.0808 57.1885 40.7882 178.5466 131 C 4.3223 8.1584 114.1582 60.8329 29.9214 174.6508 132 C 4.8655 8.0450 119.6016 61.0159 29.8351 175.8426 *133 Y 4.3877 8.0565 121.5770 60.7463 36.3630 182.0626 134 E 4.2701 8.0788 118.3451 60.6146 29.7220 178.8801 135 E 4.1657 8.1385 117.8000 59.1519 29.4713 178.5047 136 Y 3.7695 8.6107 122.0653 61.1134 38.9397 178.2766 137 K 4.0343 7.8289 123.7525 59.5573 31.7411 181.4949 138 D 4.8244 8.0058 119.2848 55.4185 40.9961 176.9868 139 R 4.6650 7.6730 117.4430 56.4217 30.1080 176.0200 140 K 4.0090 8.1733 125.9069 55.7428 32.5330 178.2147 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 3 A 8.25 4.27 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 4 G 7.81 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 5 V 8.12 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.25 4.20 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 7 A 7.58 4.12 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 8 W 8.50 4.64 0.00 3.53 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 9 L 7.71 4.05 0.00 1.78 1.84 1.00 0.86 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 10 P 0.00 4.19 0.00 1.96 2.13 0.00 3.51 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 1.54 1.81 0.00 11 F 7.46 4.41 0.00 3.26 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 12 A 8.62 4.25 1.41 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 13 R 8.21 3.96 0.00 1.83 1.99 0.00 3.26 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 14 A 8.15 4.24 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 0.00 0.00 0.00 0.00 0.00 15 A 8.20 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 16 A 8.21 4.32 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 17 I 6.54 3.60 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 1.23 0.72 0.91 0.00 0.00 18 G 8.85 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 *19 W 7.85 4.17 0.00 2.48 1.91 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 20 M 8.97 3.09 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 21 P 0.00 4.51 0.00 2.21 2.06 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 22 V 8.09 4.10 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 0.78 0.00 0.00 0.93 0.00 0.00 23 A 8.09 4.36 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 24 N 7.59 4.80 0.00 2.77 2.57 0.00 0.00 6.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.45 3.74 0.00 2.90 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 26 P 0.00 4.68 0.00 2.14 2.11 0.00 3.51 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 27 M 7.06 4.52 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 28 P 0.00 4.46 0.00 2.16 2.00 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 29 L 7.97 3.93 0.00 1.69 1.51 0.92 0.72 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 30 A 8.30 4.25 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 *37 R 7.88 4.27 0.00 1.87 1.83 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 38 Q 8.36 4.89 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 39 D 8.69 5.05 0.00 2.54 2.49 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 0.00 40 E 8.61 5.10 0.00 2.04 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 2.40 0.00 41 L 8.53 4.67 0.00 1.33 1.33 0.78 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.11 4.69 2.17 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.06 0.00 0.00 43 V 8.55 4.77 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 1.07 0.00 0.00 0.99 0.00 0.00 44 L 9.50 5.20 0.00 1.70 1.80 1.10 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.66 4.83 0.00 2.86 3.02 0.00 0.00 6.34 7.57 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 46 V 8.78 4.46 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 0.79 0.00 0.00 0.05 0.00 0.00 47 S 8.68 3.77 0.00 4.25 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 0.00 48 G 7.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 3.67 0.00 1.73 1.39 0.00 3.17 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 50 R 8.11 4.65 0.00 1.63 1.88 0.00 3.20 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 51 F 9.28 4.38 0.00 3.03 3.03 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 52 Q 8.57 5.14 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 53 T 8.33 4.55 4.29 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 1.24 0.00 0.00 54 W 8.68 4.84 0.00 3.56 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 55 R 9.55 4.00 0.00 2.14 2.08 0.00 3.19 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 56 T 7.55 4.09 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 1.25 0.00 0.00 57 T 8.13 4.00 4.50 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 1.41 0.00 0.00 58 L 8.16 4.14 0.00 1.88 1.68 0.75 0.26 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 59 E 7.83 4.16 0.00 2.11 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 0.00 2.40 2.54 0.00 60 R 7.59 4.10 0.00 2.07 2.13 0.00 3.34 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.55 0.00 61 Y 7.79 4.42 0.00 2.81 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 62 P 0.00 4.70 0.00 2.21 2.12 0.00 3.45 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 63 D 8.86 4.58 0.00 3.01 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 64 T 6.96 4.62 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 1.23 0.00 0.00 65 L 8.00 3.83 0.00 1.71 1.61 0.34 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.96 3.97 0.00 1.20 1.41 0.50 0.60 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 67 G 8.30 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 0.00 0.00 0.00 68 S 7.68 5.12 0.00 4.04 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 69 T 8.43 4.07 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 1.26 0.00 0.00 70 E 8.43 4.16 0.00 2.20 2.26 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 2.76 2.71 0.00 71 K 8.02 4.52 0.00 2.19 2.35 0.00 0.61 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.54 7.81 72 E 8.75 4.13 0.00 2.19 1.73 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 2.21 2.31 0.00 73 F 8.40 4.64 0.00 3.22 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 74 F 8.76 4.81 0.00 3.18 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 75 F 8.22 4.52 0.00 2.70 2.86 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 76 N 7.71 4.52 0.00 2.59 2.42 0.00 0.00 6.59 7.20 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 77 E 9.01 3.85 0.00 1.93 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 2.31 2.44 0.00 78 D 7.32 4.40 0.00 2.67 2.53 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 79 T 7.80 3.75 4.29 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 1.08 0.00 0.00 80 K 7.46 3.57 0.00 1.97 1.84 0.00 1.87 0.00 0.00 2.01 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.50 7.81 81 E 6.71 4.77 0.00 2.26 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 2.14 2.37 0.00 82 Y 8.65 4.71 0.00 3.19 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 83 F 8.81 5.30 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.88 0.00 2.85 2.86 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 85 D 8.69 4.82 0.00 2.94 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 86 R 7.41 4.38 0.00 1.86 2.00 0.00 3.13 0.00 0.00 2.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.00 87 D 8.32 4.49 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.36 2.45 0.00 3.90 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 2.06 2.00 0.00 89 E 8.45 4.19 0.00 2.18 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 2.57 2.57 0.00 90 V 9.90 3.72 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 1.00 0.00 0.00 1.15 0.00 0.00 91 F 7.89 3.40 0.00 3.02 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 92 R 8.13 3.98 0.00 2.33 2.09 0.00 3.33 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 93 C 8.24 4.12 0.00 3.14 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 94 V 7.46 3.34 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 0.15 0.00 0.00 0.51 0.00 0.00 95 L 7.57 3.75 0.00 1.39 1.63 0.71 0.81 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 96 N 8.67 4.38 0.00 3.03 2.94 0.00 0.00 6.75 8.02 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 97 F 8.43 4.43 0.00 2.91 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 98 Y 8.25 3.96 0.00 3.07 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 99 R 7.35 4.25 0.00 1.96 1.92 0.00 3.23 0.00 0.00 3.36 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 100 T 7.57 4.25 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 1.24 0.00 0.00 101 G 8.61 3.71 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 0.00 0.00 0.00 102 K 7.55 4.26 0.00 1.70 1.59 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.36 7.81 103 L 8.69 4.68 0.00 1.71 1.49 0.83 0.65 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 0.00 104 H 8.86 4.92 0.00 3.11 3.20 0.00 5.74 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 0.00 105 Y 8.50 4.11 0.00 2.80 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 0.00 106 P 0.00 3.80 0.00 0.70 1.70 0.00 2.97 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.54 0.00 107 R 8.02 3.86 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 7.93 4.63 0.00 2.79 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 0.00 109 E 6.63 4.09 0.00 1.39 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 110 C 8.49 4.39 0.00 3.04 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 0.00 111 I 8.67 3.78 1.84 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.81 0.00 0.00 112 S 8.17 4.09 0.00 3.90 3.92 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 0.00 113 A 7.73 4.07 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 0.00 114 Y 8.36 4.59 0.00 3.10 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 0.00 115 D 8.14 4.17 0.00 2.77 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 0.00 116 D 7.99 4.42 0.00 2.94 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 0.00 117 E 7.66 3.93 0.00 2.27 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 0.00 2.47 2.59 0.00 118 L 7.72 3.89 0.00 1.63 1.68 0.20 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.30 3.95 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 0.00 120 F 7.71 3.99 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.32 0.00 2.95 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 0.00 122 G 7.51 3.82 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 0.00 0.00 0.00 123 I 7.26 4.10 1.57 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 0.43 0.04 0.27 0.00 0.00 124 L 8.39 4.10 0.00 1.56 1.49 0.87 1.04 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 0.00 125 P 0.00 3.81 0.00 2.04 2.09 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 126 E 7.60 4.52 0.00 1.96 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 2.15 2.25 0.00 127 I 7.55 4.15 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 1.03 0.00 0.00 128 I 6.78 3.93 1.70 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.93 0.93 0.00 0.00 129 G 8.48 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 0.00 130 D 8.56 4.45 0.00 2.65 2.76 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 0.00 0.00 0.00 0.00 131 C 8.16 4.32 0.00 3.18 3.11 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 0.00 132 C 8.04 4.87 0.00 3.03 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 *133 Y 8.06 4.39 0.00 2.32 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 0.00 0.00 0.00 0.00 134 E 8.08 4.27 0.00 2.02 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 2.43 2.37 0.00 135 E 8.14 4.17 0.00 2.14 2.26 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 2.47 2.38 0.00 136 Y 8.61 3.77 0.00 2.79 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 0.00 137 K 7.83 4.03 0.00 1.85 1.75 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 8.01 4.82 0.00 2.64 2.76 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 0.00 0.00 0.00 0.00 139 R 7.67 4.67 0.00 1.89 1.93 0.00 3.08 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 140 K 8.17 4.01 0.00 1.73 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.