NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2986 8.1233 123.5560 51.9200 20.4233 177.4780 3 T 3.8918 8.6646 119.3042 66.1891 68.3958 173.2567 4 E 4.0797 8.5394 122.1840 59.6865 30.0593 178.9590 5 K 3.7317 7.8978 123.8714 60.1390 31.6168 181.5165 6 Y 4.3213 7.5785 117.3927 60.9930 37.8362 177.7626 7 H 4.0608 8.1677 116.9612 58.9540 28.8351 177.3838 8 E 3.8767 8.3797 121.0913 59.2371 29.3386 178.9379 9 I 3.5392 7.6770 119.7914 64.2505 37.1537 178.3797 10 L 3.1873 7.6535 119.6994 57.4833 41.2712 179.7236 11 K 4.0239 8.0049 118.4045 59.4893 32.0630 179.5747 12 K 3.8868 8.0961 118.7674 59.2843 31.6585 178.7075 13 Y 3.9723 7.6944 119.2024 60.8063 39.1497 178.0166 14 F 4.2740 7.8124 118.5280 60.6506 39.0156 177.8144 15 L 4.1774 8.3814 118.7090 57.7212 40.8445 179.5920 16 S 3.7054 7.8045 115.0277 61.2836 62.2275 176.5795 17 F 4.2334 7.9834 119.1019 59.7615 38.6948 176.2092 18 E 4.3061 8.1412 119.3213 58.4729 29.9104 177.3772 19 T 4.0596 7.8675 107.4795 62.0192 69.5414 175.8902 20 G 3.7962 8.5780 109.2028 44.7803 0.0000 172.2167 21 D 4.7155 7.3830 119.1830 52.8190 41.9416 175.7155 22 F 4.5747 8.9726 124.1374 56.5264 39.4476 177.9328 23 S 4.2937 8.3228 116.9574 61.0937 62.8055 175.3853 24 Q 4.1472 7.8987 117.8297 56.5976 28.9882 175.8168 25 V 3.6216 7.3825 118.9503 62.0543 32.2230 175.3008 26 Q 4.3016 8.2661 126.2077 55.4201 29.3518 174.5187 27 F 5.5096 8.5722 122.8187 55.4526 41.9880 175.9015 28 S 4.7072 9.5612 118.0433 58.1305 63.0213 175.0346 29 C 4.2622 9.3203 120.2996 60.8542 29.5003 174.2332 30 N 4.8326 7.9172 116.6664 52.7362 38.4031 174.5180 31 L 4.2860 7.6960 121.0817 56.2264 43.2561 175.9540 32 E 5.3538 9.5051 124.2075 54.6058 34.1737 174.4085 33 F 4.8593 8.9717 124.0226 56.3845 42.8524 173.3928 34 L 4.4241 7.9229 129.4696 53.4975 41.7970 175.7875 35 S 4.6802 8.3716 121.6385 57.0312 63.1847 173.4333 36 P 4.3930 0.0000 0.0000 64.8284 31.2856 177.1558 37 I 4.4132 7.3629 109.9287 59.9970 37.6663 175.0960 38 S 4.5473 7.4768 113.2323 57.5289 65.3817 174.9209 39 G 3.6516 8.6680 115.7125 47.9244 0.0000 173.7370 40 N 4.7332 7.7610 116.7459 51.7619 39.8692 174.9777 41 T 4.2475 8.1401 112.6551 61.6319 70.0555 173.9936 42 L 4.3434 8.9587 124.2424 54.6550 43.1818 176.0731 43 K 4.8224 9.5640 122.8506 55.8702 34.2907 177.4581 44 G 4.1790 9.5955 109.9682 46.8204 0.0000 174.0795 45 T 3.5200 8.1923 109.7067 64.6664 68.5431 176.2812 46 E 3.8893 8.1540 120.9131 59.0149 29.0974 178.5136 47 E 4.2395 7.8897 117.3362 58.1451 30.2875 178.7210 48 V 3.2389 7.7596 118.4319 65.9280 31.6739 178.1566 49 I 3.1984 7.5799 119.8301 63.8568 37.0479 176.5338 50 P 4.2077 0.0000 0.0000 65.4667 31.0750 178.4070 51 F 4.0599 7.5621 119.0165 61.3032 39.2959 177.2070 52 L 3.5641 7.4971 118.4757 57.5537 41.0566 179.5607 53 K 3.9936 7.9182 117.8135 59.4325 32.0871 179.2690 54 G 3.5694 7.7259 105.5760 47.7476 0.0000 175.9704 55 V 3.1612 7.2689 121.1810 65.6056 31.3746 178.1625 56 T 4.1952 8.2066 109.6485 64.5370 68.3174 176.3699 57 T 4.1011 7.5553 112.0269 63.6452 69.0071 175.1781 58 R 4.7000 7.9474 120.4306 55.6696 30.5720 175.0442 59 V 4.9597 7.6240 117.1755 61.0546 34.0149 172.9843 60 A 4.3738 9.1646 128.9397 52.4219 19.8996 177.1082 61 E 4.7626 8.5759 115.0772 54.2532 32.0807 176.8191 62 V 4.7630 8.9008 121.6898 61.2300 34.7749 174.3222 63 N 5.0669 9.4495 125.7519 52.0724 41.8476 173.6396 64 I 4.6251 8.5051 126.6660 60.0054 39.7298 174.9601 *66 S 4.5295 8.3070 117.3194 58.6650 64.5263 172.7018 67 T 5.3516 8.4967 110.0896 60.5227 71.9933 173.2280 68 T 4.7787 9.2628 119.8650 62.0796 72.9408 172.9991 69 V 4.6102 8.4731 125.2760 61.2468 34.5327 175.2948 70 E 4.5460 9.3367 128.3873 53.4375 29.8883 172.2783 71 Y 3.9838 8.3084 123.2962 57.4671 39.4457 174.5804 72 P 3.4085 0.0000 0.0000 62.7270 32.6218 175.3239 73 R 4.8844 8.0155 119.7649 55.3111 32.9149 174.9310 74 A 5.1027 8.3766 121.9966 51.5272 23.4534 175.0724 75 S 5.4838 9.0742 112.7557 58.4177 67.0319 173.5901 76 G 4.8348 8.8889 106.1766 45.3275 0.0000 171.7329 77 V 5.2505 8.5189 123.4012 60.7767 33.3721 174.8046 78 W 5.1248 8.8583 123.6869 56.2176 32.2719 172.3807 79 Q 4.6629 9.0761 117.0979 53.7533 33.1455 173.6229 *81 R 4.4310 8.4444 118.6837 56.7782 31.4909 176.0875 82 T 4.8469 8.6110 117.2168 61.5741 70.0042 175.5418 83 T 4.1541 8.8489 112.0723 63.6005 68.9208 175.4716 84 K 4.1274 7.5377 120.1526 56.4840 32.5312 177.3925 85 G 4.0459 7.9827 106.1943 45.1205 0.0000 173.7923 86 T 3.9911 7.8051 117.5241 62.6736 69.9066 173.4930 87 L 4.5199 8.0454 128.1748 53.8713 42.8260 174.9190 88 Y 4.7067 8.0166 124.1036 56.9459 40.3971 174.5762 89 T 4.7531 8.4806 119.3567 61.7520 71.4557 173.2972 90 L 4.6884 8.7239 125.5694 53.0860 45.8230 175.3708 91 H 5.4993 8.4738 120.0344 54.6406 31.4011 171.7852 92 N 4.7722 9.3763 123.0500 52.4811 40.1935 173.7747 93 F 4.6936 8.7103 125.6244 56.6568 41.5566 174.5034 94 F 5.2467 8.5057 123.9392 55.6686 43.0416 174.1639 95 R 5.0231 8.7345 119.5449 54.4619 33.5818 174.8398 96 L 5.3258 8.4408 120.8206 53.3365 45.7816 175.9637 97 D 5.0235 9.0699 119.1184 51.1714 42.2259 175.6736 98 E 4.2324 9.0866 117.1151 59.1576 29.4581 177.4905 99 E 4.5485 8.5407 117.1870 55.5453 31.2339 175.7026 100 G 4.2232 7.8748 105.1292 44.1309 0.0000 175.4588 101 I 4.5199 9.3792 127.5027 61.2170 37.4885 176.2909 102 V 4.4707 9.1274 125.7103 61.8300 34.1691 174.7941 103 Y 5.7432 7.8556 121.7746 55.6839 42.6814 173.6451 104 V 4.4535 7.5869 124.5127 60.9083 35.5301 173.8129 105 W 5.1564 8.7983 135.0000 55.0882 33.0121 172.5515 106 P 5.2804 0.0000 0.0000 61.3873 32.5001 175.5198 *108 F 4.5673 8.2983 117.4783 56.8974 39.8959 174.9182 109 D 4.4815 8.8884 124.7906 53.8645 41.4799 175.0162 110 P 4.4827 0.0000 0.0000 65.0790 32.0702 178.6525 111 K 3.9697 8.2217 118.1687 59.5606 32.0111 178.3321 112 A 4.0449 7.9754 119.6215 55.1484 18.5203 178.8299 113 V 3.9002 7.6006 111.7245 63.9726 30.9360 177.3617 *115 E 4.2972 8.1115 119.4136 56.1813 31.1262 175.9335 116 N 4.8319 7.7193 114.0438 51.9653 40.7266 171.5927 117 P 4.5021 0.0000 0.0000 65.3349 32.2990 178.6533 118 D 4.3891 8.2957 117.3389 57.2920 40.7176 178.2753 119 A 4.1460 8.2671 121.1095 55.2649 18.2561 179.4652 120 L 4.1407 7.7756 119.7342 57.9251 42.1242 179.1146 121 I 3.7859 7.7954 118.0958 64.1835 37.9105 177.7070 122 Q 4.2695 8.4397 119.0888 58.7222 28.3357 178.5431 123 W 3.9664 8.4270 128.6016 60.3044 30.8848 177.8605 124 L 3.7225 8.3448 118.6902 57.6656 41.2142 178.9465 125 T 4.2973 8.1830 107.9952 61.5702 69.1954 176.2307 126 G 3.8133 8.5563 111.9502 45.7789 0.0000 173.6344 127 K 4.4676 7.7342 121.6540 55.0217 32.0798 181.9095 128 D 4.5928 8.9210 122.5166 54.3600 38.3941 173.3411 129 Y 4.2932 7.7633 125.2071 57.9442 38.7296 175.0800 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 A 8.12 4.30 1.21 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 0.00 0.00 0.00 3 T 8.66 3.89 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 1.34 0.00 0.00 4 E 8.54 4.08 0.00 2.07 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 2.35 2.40 0.00 5 K 7.90 3.73 0.00 1.81 1.82 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.37 7.81 6 Y 7.58 4.32 0.00 3.15 2.92 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 7 H 8.17 4.06 0.00 3.47 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.38 3.88 0.00 1.97 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 2.22 2.30 0.00 9 I 7.68 3.54 1.89 0.00 0.00 0.65 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 0.42 0.71 0.00 0.00 10 L 7.65 3.19 0.00 1.57 1.10 0.32 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.00 4.02 0.00 1.89 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.72 7.81 12 K 8.10 3.89 0.00 1.82 1.74 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.48 7.81 13 Y 7.69 3.97 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 F 7.81 4.27 0.00 3.02 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 15 L 8.38 4.18 0.00 1.72 1.72 0.94 1.27 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 16 S 7.80 3.71 0.00 2.89 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 17 F 7.98 4.23 0.00 3.49 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 18 E 8.14 4.31 0.00 2.06 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 2.36 2.49 0.00 19 T 7.87 4.06 4.18 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 0.00 0.00 1.17 0.00 0.00 20 G 8.58 3.80 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 0.00 0.00 0.00 21 D 7.38 4.72 0.00 2.62 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 22 F 8.97 4.57 0.00 3.23 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 23 S 8.32 4.29 0.00 4.03 4.09 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 24 Q 7.90 4.15 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 25 V 7.38 3.62 1.77 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 -0.07 0.00 0.00 0.97 0.00 0.00 26 Q 8.27 4.30 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 27 F 8.57 5.51 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 28 S 9.56 4.71 0.00 4.19 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 29 C 9.32 4.26 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 30 N 7.92 4.83 0.00 2.81 2.90 0.00 0.00 6.90 7.88 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 31 L 7.70 4.29 0.00 2.06 1.56 1.16 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.51 5.35 0.00 2.22 1.93 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 2.28 2.48 0.00 33 F 8.97 4.86 0.00 3.02 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 34 L 7.92 4.42 0.00 1.08 0.91 0.66 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.68 0.00 3.79 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 36 P 0.00 4.39 0.00 2.20 2.21 0.00 4.01 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 37 I 7.36 4.41 1.88 0.00 0.00 1.00 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 0.49 0.97 0.00 0.00 38 S 7.48 4.55 0.00 3.70 3.61 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 39 G 8.67 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 4.73 0.00 2.67 2.71 0.00 0.00 6.92 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 41 T 8.14 4.25 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 1.22 0.00 0.00 42 L 8.96 4.34 0.00 1.60 1.53 0.44 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.56 4.82 0.00 1.53 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.52 7.81 44 G 9.60 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.19 3.52 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 0.92 0.00 0.00 46 E 8.15 3.89 0.00 2.03 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 2.38 2.44 0.00 47 E 7.89 4.24 0.00 2.06 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 2.29 2.30 0.00 48 V 7.76 3.24 1.84 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 0.70 0.00 0.00 0.90 0.00 0.00 49 I 7.58 3.20 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.47 0.72 0.00 0.00 50 P 0.00 4.21 0.00 2.10 2.06 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 51 F 7.56 4.06 0.00 2.81 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 52 L 7.50 3.56 0.00 0.71 0.87 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.92 3.99 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.42 7.81 54 G 7.73 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.27 3.16 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 0.44 0.00 0.00 0.04 0.00 0.00 56 T 8.21 4.20 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 57 T 7.56 4.10 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 1.25 0.00 0.00 58 R 7.95 4.70 0.00 1.80 1.83 0.00 2.21 0.00 0.00 2.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.29 0.00 59 V 7.62 4.96 2.45 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 1.00 0.00 0.00 1.42 0.00 0.00 60 A 9.16 4.37 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 61 E 8.58 4.76 0.00 1.86 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 2.29 2.38 0.00 62 V 8.90 4.76 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 1.13 0.00 0.00 1.22 0.00 0.00 63 N 9.45 5.07 0.00 2.82 2.60 0.00 0.00 6.90 7.39 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 64 I 8.51 4.63 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 1.06 0.00 0.00 *66 S 8.31 4.53 0.00 3.99 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 67 T 8.50 5.35 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 1.41 0.00 0.00 68 T 9.26 4.78 4.33 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 1.27 0.00 0.00 69 V 8.47 4.61 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 0.79 0.00 0.00 0.71 0.00 0.00 70 E 9.34 4.55 0.00 1.96 1.75 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 2.22 2.25 0.00 71 Y 8.31 3.98 0.00 2.93 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 72 P 0.00 3.41 0.00 1.69 1.37 0.00 3.58 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 73 R 8.02 4.88 0.00 1.84 1.81 0.00 3.19 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 74 A 8.38 5.10 1.13 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 0.00 0.00 75 S 9.07 5.48 0.00 3.97 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 76 G 8.89 4.83 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 0.00 0.00 0.00 77 V 8.52 5.25 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 0.85 0.00 0.00 0.86 0.00 0.00 78 W 8.86 5.12 0.00 3.26 2.34 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 79 Q 9.08 4.66 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.61 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 *81 R 8.44 4.43 0.00 1.86 1.97 0.00 3.32 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 82 T 8.61 4.85 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 0.55 0.00 0.00 83 T 8.85 4.15 4.40 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 1.37 0.00 0.00 84 K 7.54 4.13 0.00 1.87 1.82 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.13 7.81 85 G 7.98 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 0.00 0.00 0.00 86 T 7.81 3.99 3.76 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 0.36 0.00 0.00 87 L 8.05 4.52 0.00 1.47 1.40 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.02 4.71 0.00 2.63 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 89 T 8.48 4.75 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 1.14 0.00 0.00 90 L 8.72 4.69 0.00 0.61 1.19 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.47 5.50 0.00 3.05 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.38 4.77 0.00 2.95 1.86 0.00 0.00 6.39 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 93 F 8.71 4.69 0.00 2.88 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 94 F 8.51 5.25 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 95 R 8.73 5.02 0.00 1.82 1.70 0.00 3.01 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 96 L 8.44 5.33 0.00 0.91 1.25 0.43 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 97 D 9.07 5.02 0.00 2.87 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 98 E 9.09 4.23 0.00 2.04 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 2.37 2.51 0.00 99 E 8.54 4.55 0.00 2.13 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 2.32 2.30 0.00 100 G 7.87 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 0.00 0.00 0.00 101 I 9.38 4.52 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 1.15 0.00 0.00 102 V 9.13 4.47 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 0.77 0.00 0.00 1.07 0.00 0.00 103 Y 7.86 5.74 0.00 3.07 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 0.00 104 V 7.59 4.45 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 0.70 0.00 0.00 1.09 0.00 0.00 105 W 8.80 5.16 0.00 3.12 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 0.00 106 P 0.00 5.28 0.00 2.20 2.34 0.00 3.54 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 *108 F 8.30 4.57 0.00 2.96 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 0.00 109 D 8.89 4.48 0.00 2.60 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 0.00 110 P 0.00 4.48 0.00 2.28 2.32 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 111 K 8.22 3.97 0.00 1.91 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 112 A 7.98 4.04 1.22 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 0.00 0.00 113 V 7.60 3.90 2.24 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 0.88 0.00 0.00 0.89 0.00 0.00 *115 E 8.11 4.30 0.00 2.17 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 2.19 2.43 0.00 116 N 7.72 4.83 0.00 2.59 2.70 0.00 0.00 7.23 8.73 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 0.00 117 P 0.00 4.50 0.00 2.23 2.10 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 118 D 8.30 4.39 0.00 2.72 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 0.00 119 A 8.27 4.15 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 0.00 120 L 7.78 4.14 0.00 1.75 1.85 0.36 0.26 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 0.00 121 I 7.80 3.79 1.90 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 1.67 1.38 1.01 0.00 0.00 122 Q 8.44 4.27 0.00 2.55 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 123 W 8.43 3.97 0.00 3.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.34 3.72 0.00 1.79 1.76 0.92 0.81 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 0.00 125 T 8.18 4.30 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 1.32 0.00 0.00 126 G 8.56 3.81 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 0.00 0.00 0.00 127 K 7.73 4.47 0.00 1.80 1.62 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.28 7.81 128 D 8.92 4.59 0.00 2.89 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 0.00 129 Y 7.76 4.29 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.