NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.7699 8.4545 109.7353 45.5482 0.0000 173.8087 4 I 3.8520 8.3292 121.4320 58.7888 35.1673 169.9197 5 N 4.9488 8.2020 124.0216 50.5910 42.0765 174.9663 6 T 4.3049 8.0131 109.9860 61.2929 71.1052 175.4255 7 D 4.3442 8.5239 121.4827 57.9030 40.8814 179.1575 8 T 3.8504 7.8883 115.5771 66.8072 68.5947 176.2866 9 E 3.9808 7.9333 120.3097 59.5781 29.4922 179.2772 10 N 4.3935 8.2094 116.5352 56.1306 38.5432 177.6983 11 I 3.7304 8.3682 121.6625 64.5097 37.1587 178.6348 12 S 4.1816 8.2601 118.4657 62.1851 62.6254 177.3427 13 E 3.9530 8.1095 120.8320 60.9773 29.5122 180.8563 14 L 3.9494 7.9482 121.6767 57.8918 42.0904 179.1935 15 L 4.1953 8.1456 118.9887 57.7396 41.6383 179.4256 16 K 4.0173 8.2992 118.6317 59.8575 31.9785 179.5522 17 T 3.9486 7.9947 115.8616 66.9286 68.3517 176.4157 18 Y 4.4411 8.1032 118.6884 60.8461 37.8623 178.4743 19 W 4.1605 8.6599 129.3955 60.6882 30.8476 178.0168 20 S 4.0236 8.5266 113.0630 61.2633 61.7186 176.2435 21 I 3.7025 8.0002 122.6552 64.4212 36.9137 178.1215 22 Q 3.8865 8.2152 120.5394 59.0358 28.5822 178.2982 23 R 3.5332 7.3694 118.7547 59.3353 30.2558 178.2569 24 I 3.7044 7.5147 119.5041 64.5610 37.1254 178.6012 25 S 4.3189 8.4613 116.0624 61.6139 62.6108 176.6389 26 A 4.1698 8.1283 123.5290 54.6535 18.0987 179.9270 27 G 3.3624 7.7568 104.4277 48.0231 0.0000 175.6419 28 Y 4.2869 7.7422 118.1384 60.4134 37.8980 177.8522 29 A 4.0420 8.0094 122.2008 55.1370 18.4758 179.4230 30 D 4.2159 8.0021 117.3621 57.6077 40.9163 178.9314 31 Q 3.7262 7.6677 118.0447 58.8443 28.6462 178.5833 32 N 4.2300 8.0784 117.7105 56.5224 39.0917 176.7311 33 A 3.9450 8.2623 122.2953 55.1098 18.3870 179.4337 34 A 3.9081 8.0188 119.4618 55.3647 18.2769 180.0587 35 S 4.1062 7.9699 111.3331 61.0329 63.0787 175.7667 36 L 4.4307 7.7139 120.3756 54.0232 41.7803 177.2820 37 G 3.9325 8.0636 107.0796 45.8392 0.0000 173.3583 38 L 4.9540 7.5682 118.0581 52.2701 44.9378 177.2592 39 T 4.2928 8.8101 112.8470 61.1196 71.1885 176.0186 40 I 3.7037 8.1689 121.8106 64.5326 36.7851 178.5122 41 Q 3.9823 7.9175 119.3051 59.0496 29.0894 177.4967 42 Q 4.1472 7.9296 118.2222 59.1150 29.1022 178.6475 43 L 4.1842 8.1021 119.6830 57.3879 41.5654 179.5620 44 A 4.2435 7.8452 117.8709 52.8084 18.0294 179.1863 *46 I 4.0598 7.6851 122.8877 63.0294 39.1534 178.1386 47 N 4.4747 8.6530 117.9138 56.0487 37.9783 177.7382 48 V 3.6492 7.6596 119.1097 66.2184 31.5388 177.9403 49 I 3.8865 7.7761 119.0260 64.3255 36.7180 177.6788 50 Y 4.2956 7.9707 120.1328 60.5346 38.8390 177.5103 51 S 4.3906 7.6596 111.6698 58.8104 65.1851 174.6334 52 T 4.6664 7.4230 118.8946 61.4470 69.4383 171.4865 53 P 4.4349 0.0000 0.0000 64.1854 32.2770 177.7477 54 G 3.8945 9.1408 109.6717 45.4060 0.0000 173.5883 55 I 3.7976 7.4137 120.0377 60.7930 38.7860 175.3365 56 S 5.1047 8.2666 120.7529 57.3823 65.8991 175.4915 57 V 3.6445 8.2788 122.6689 66.0439 31.0993 178.2979 58 A 3.9826 7.9891 120.1026 55.5035 18.2291 179.2248 59 D 4.3250 7.9905 116.7727 57.0560 40.8314 178.7856 60 L 3.9618 8.4100 121.4715 58.3235 42.1559 178.9727 61 T 3.8614 8.4292 115.9880 66.7750 68.2290 176.6288 62 K 3.9584 7.5260 118.7682 59.3691 32.1533 178.9486 63 R 4.0419 8.1212 118.1963 59.6213 30.1249 178.2029 64 L 4.1325 8.1121 116.3685 54.7883 42.3218 176.7066 65 I 3.2529 7.5675 118.7028 62.6445 34.8813 172.8306 66 I 4.6568 7.3676 110.7073 58.4920 41.0257 175.7863 67 T 4.2333 7.8153 117.4122 63.2490 70.2077 176.3660 68 G 3.6718 8.6308 110.0839 47.5513 0.0000 176.3200 69 S 4.0906 7.9933 116.5673 61.6374 63.1752 176.5762 70 S 4.1076 8.0494 118.2869 60.5142 62.6900 175.9928 71 A 3.9397 8.2079 124.1549 54.9788 18.1727 179.5251 72 A 3.9269 8.0801 119.0804 54.9769 18.3778 179.7827 73 A 3.9228 7.9875 119.3488 55.5416 18.5265 179.6752 74 N 4.2846 8.3681 115.2259 56.2953 38.5678 177.8732 75 V 3.6306 8.1428 122.2289 66.6358 31.6627 178.1909 76 D 4.5073 8.1882 120.9907 58.6603 39.5956 180.6935 77 G 3.8775 8.2131 107.3966 47.7310 0.0000 175.7858 78 L 4.1103 8.1742 121.1893 57.3149 41.6730 179.6763 79 I 3.7553 7.8411 120.2060 64.3107 36.8079 178.5097 80 S 4.1721 7.9105 115.1847 61.4716 62.8096 176.0441 81 L 4.3269 7.7996 118.4866 54.3983 41.5384 177.1999 82 G 3.8956 7.6210 106.5024 46.7643 0.0000 174.6212 83 L 4.5629 8.1084 119.9848 54.8694 43.2656 176.9861 84 V 4.8828 7.6042 111.1691 59.7482 36.0502 174.6248 85 V 4.4473 9.1563 120.8094 59.8374 33.9739 176.1339 86 K 4.5416 8.6587 129.1821 55.5271 31.6659 174.2206 87 L 4.1011 9.0515 127.5416 54.8371 42.6722 174.4314 88 N 3.9811 8.3416 123.1830 52.4554 35.6922 178.6423 *95 S 4.3972 7.9348 123.2787 57.2743 63.3217 172.1702 *97 D 4.6487 8.5858 115.6133 55.3690 42.8284 175.4757 98 L 4.1169 7.6905 122.5319 55.7692 43.0431 175.6918 99 T 5.1461 8.5834 116.2155 60.1332 71.3709 173.4009 100 L 5.4125 8.7440 124.1490 52.9417 45.8722 175.4548 101 K 4.9693 8.5880 119.3772 55.3516 36.6619 175.1666 102 L 4.9465 8.4862 120.4968 54.1776 43.0315 177.0559 103 S 4.5038 8.5106 119.3212 58.0335 64.8353 175.8951 104 K 3.8863 8.8426 124.5313 60.1536 31.2064 178.2680 105 K 4.2511 8.0906 120.5146 59.2053 32.0752 179.0437 106 G 3.5879 7.9131 105.7151 47.4843 0.0000 175.7411 107 E 3.6580 8.3868 123.3966 59.8092 29.5525 179.4681 108 D 4.3472 8.2700 121.5001 58.7602 39.9554 180.7270 109 L 4.1746 7.8638 120.6077 57.3127 41.3907 179.6487 110 S 3.9374 7.9971 113.3342 61.2681 62.3106 176.2554 111 K 3.8544 8.1316 121.5273 59.7296 31.5908 179.5720 112 R 4.1754 7.7004 116.8061 58.8859 29.9850 178.7003 113 S 4.2600 7.7051 112.5031 60.9230 62.4040 175.4935 114 T 4.2827 7.5832 111.3603 62.5993 70.5697 175.6020 115 A 4.3728 7.9781 126.4333 50.2595 17.2885 175.8705 116 N 4.4608 8.0166 117.0993 52.6343 38.8894 174.2595 117 A 4.0154 8.5991 130.1515 55.1644 18.7149 178.9824 118 F 4.0607 8.5140 113.6810 58.4284 38.5426 177.0714 *120 Y 4.1822 8.1038 122.7392 58.6322 39.6370 177.6341 121 K 4.0198 7.9881 119.8673 57.4904 32.2453 180.2805 122 A 4.2305 7.1480 124.5900 52.0123 15.8592 177.5059 *125 K 4.2704 7.9768 121.3419 55.8642 34.9737 178.9597 126 V 3.7578 7.8912 118.4334 66.0304 31.6179 178.1763 127 F 4.4528 8.2894 117.7774 60.2963 38.9083 176.8478 128 E 4.2067 7.8635 117.7805 58.1010 29.3601 177.1467 129 N 4.9745 8.0622 115.2134 52.5759 39.0692 174.2110 130 L 4.9098 7.3566 117.9999 52.4857 45.1643 177.1891 131 T 4.3134 9.2807 115.4075 61.7815 70.9937 176.4927 132 E 3.9704 8.5274 120.2273 61.1588 29.6197 178.8943 133 N 4.5640 7.9958 115.7751 56.2322 38.7900 177.2385 134 E 3.8861 8.1748 119.9983 59.3862 29.5859 179.2024 135 I 3.2797 7.4277 119.7503 64.5405 37.1695 178.2944 136 E 3.9531 7.7984 118.9940 59.5398 29.2866 179.3797 137 E 4.0261 8.3850 118.6762 58.8663 29.6043 179.1321 138 L 3.9440 8.4170 120.9387 58.1849 42.2475 179.0784 139 I 3.7268 7.7108 119.6750 64.4186 37.1032 178.4379 140 R 3.8905 8.0253 119.4229 59.4162 29.9053 178.6235 141 L 4.0273 8.0580 118.7335 57.9674 41.6411 179.2192 142 N 4.4661 8.1303 116.0985 56.1329 38.3636 177.4302 143 K 3.9380 8.1041 121.1109 59.2581 32.2214 178.7568 144 K 3.9977 8.0339 121.2912 58.8907 32.0285 178.8928 145 V 3.5993 7.9845 118.4915 65.9481 31.4282 177.4763 146 E 3.9072 8.3683 119.3617 59.5478 29.5926 178.9134 147 T 3.8587 8.2569 110.1115 64.9814 68.6016 176.4855 148 L 4.1333 8.0907 121.2323 57.2156 41.6421 179.2121 149 L 4.1534 7.9505 118.7002 57.7477 41.6695 179.3423 150 K 4.0618 8.0878 117.3997 59.1091 31.9824 177.7175 151 K 4.2993 7.5147 121.2909 56.6044 32.2011 176.6023 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 G 8.45 3.77 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 0.00 0.00 0.00 4 I 8.33 3.85 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 1.41 0.66 0.91 0.00 0.00 5 N 8.20 4.95 0.00 2.82 2.94 0.00 0.00 7.20 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 6 T 8.01 4.30 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 1.21 0.00 0.00 7 D 8.52 4.34 0.00 2.71 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 8 T 7.89 3.85 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 1.20 0.00 0.00 9 E 7.93 3.98 0.00 2.09 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 2.32 2.34 0.00 10 N 8.21 4.39 0.00 2.95 2.84 0.00 0.00 7.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.37 3.73 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.93 0.00 0.00 12 S 8.26 4.18 0.00 3.99 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 13 E 8.11 3.95 0.00 2.01 1.95 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 2.24 2.19 0.00 14 L 7.95 3.95 0.00 1.74 1.79 0.29 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.15 4.20 0.00 1.77 1.78 0.96 0.98 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 16 K 8.30 4.02 0.00 2.09 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.36 7.81 17 T 7.99 3.95 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 1.19 0.00 0.00 18 Y 8.10 4.44 0.00 3.21 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 19 W 8.66 4.16 0.00 3.55 3.48 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 0.00 20 S 8.53 4.02 0.00 4.29 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 21 I 8.00 3.70 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.97 0.00 0.00 22 Q 8.22 3.89 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 23 R 7.37 3.53 0.00 0.93 1.63 0.00 3.14 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.00 24 I 7.51 3.70 2.03 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 1.46 1.20 1.00 0.00 0.00 25 S 8.46 4.32 0.00 3.99 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 26 A 8.13 4.17 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 27 G 7.76 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 0.00 0.00 0.00 28 Y 7.74 4.29 0.00 3.19 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 29 A 8.01 4.04 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 30 D 8.00 4.22 0.00 2.80 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 31 Q 7.67 3.73 0.00 1.80 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 32 N 8.08 4.23 0.00 3.21 3.00 0.00 0.00 7.12 8.25 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 33 A 8.26 3.94 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 34 A 8.02 3.91 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 35 S 7.97 4.11 0.00 4.26 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 0.00 36 L 7.71 4.43 0.00 1.81 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.06 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 38 L 7.57 4.95 0.00 1.62 1.53 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.81 4.29 4.23 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 1.20 0.00 0.00 40 I 8.17 3.70 1.86 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 1.50 0.82 0.90 0.00 0.00 41 Q 7.92 3.98 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 42 Q 7.93 4.15 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 43 L 8.10 4.18 0.00 1.69 1.70 0.91 0.52 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 44 A 7.85 4.24 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 *46 I 7.69 4.06 2.05 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 1.40 0.63 0.86 0.00 0.00 47 N 8.65 4.47 0.00 2.71 2.92 0.00 0.00 6.71 7.63 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 48 V 7.66 3.65 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 0.85 0.00 0.00 1.02 0.00 0.00 49 I 7.78 3.89 2.04 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 1.55 0.81 0.95 0.00 0.00 50 Y 7.97 4.30 0.00 2.97 3.19 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 51 S 7.66 4.39 0.00 4.00 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 7.42 4.67 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 1.21 0.00 0.00 53 P 0.00 4.43 0.00 2.16 2.05 0.00 3.74 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 1.95 1.91 0.00 54 G 9.14 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 55 I 7.41 3.80 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.95 0.00 0.00 56 S 8.27 5.10 0.00 4.08 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 57 V 8.28 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 58 A 7.99 3.98 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 59 D 7.99 4.33 0.00 2.82 2.72 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 60 L 8.41 3.96 0.00 1.83 1.86 0.93 0.79 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 61 T 8.43 3.86 4.42 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 1.29 0.00 0.00 62 K 7.53 3.96 0.00 2.10 1.88 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.32 7.81 63 R 8.12 4.04 0.00 1.96 2.11 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 64 L 8.11 4.13 0.00 1.70 1.71 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.57 3.25 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.92 0.00 0.00 66 I 7.37 4.66 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 1.42 0.67 1.06 0.00 0.00 67 T 7.82 4.23 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 1.21 0.00 0.00 68 G 8.63 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 69 S 7.99 4.09 0.00 4.06 4.13 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 70 S 8.05 4.11 0.00 4.07 4.17 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 71 A 8.21 3.94 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 72 A 8.08 3.93 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 73 A 7.99 3.92 1.38 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 0.00 0.00 74 N 8.37 4.28 0.00 2.89 2.88 0.00 0.00 6.73 8.12 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 75 V 8.14 3.63 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 1.01 0.00 0.00 76 D 8.19 4.51 0.00 2.74 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 77 G 8.21 3.88 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 0.00 0.00 0.00 78 L 8.17 4.11 0.00 1.71 1.73 0.92 0.66 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 79 I 7.84 3.76 2.03 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 1.68 1.09 0.91 0.00 0.00 80 S 7.91 4.17 0.00 4.00 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 81 L 7.80 4.33 0.00 1.63 1.70 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.62 3.90 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 0.00 0.00 0.00 83 L 8.11 4.56 0.00 1.60 1.69 0.91 1.02 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 84 V 7.60 4.88 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 0.70 0.00 0.00 0.91 0.00 0.00 85 V 9.16 4.45 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 0.86 0.00 0.00 0.99 0.00 0.00 86 K 8.66 4.54 0.00 1.54 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 87 L 9.05 4.10 0.00 1.52 1.75 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.34 3.98 0.00 2.91 2.75 0.00 0.00 6.52 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 *95 S 7.93 4.40 0.00 3.67 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 0.00 *97 D 8.59 4.65 0.00 2.69 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 98 L 7.69 4.12 0.00 1.90 1.64 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.58 5.15 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 1.24 0.00 0.00 100 L 8.74 5.41 0.00 1.60 1.57 0.93 0.47 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 0.00 101 K 8.59 4.97 0.00 1.83 1.86 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 102 L 8.49 4.95 0.00 1.66 1.67 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.51 4.50 0.00 3.94 4.01 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 0.00 0.00 0.00 104 K 8.84 3.89 0.00 1.78 1.88 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.09 7.81 105 K 8.09 4.25 0.00 1.85 1.82 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.55 7.81 106 G 7.91 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 0.00 107 E 8.39 3.66 0.00 2.18 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 2.55 2.59 0.00 108 D 8.27 4.35 0.00 2.65 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 0.00 109 L 7.86 4.17 0.00 1.77 1.70 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.00 3.94 0.00 3.64 3.30 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 0.00 111 K 8.13 3.85 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 112 R 7.70 4.18 0.00 1.78 1.98 0.00 3.12 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 113 S 7.71 4.26 0.00 3.98 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 0.00 114 T 7.58 4.28 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 0.00 115 A 7.98 4.37 1.15 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 0.00 0.00 116 N 8.02 4.46 0.00 2.79 2.93 0.00 0.00 7.25 7.96 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 0.00 117 A 8.60 4.02 1.10 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 0.00 0.00 118 F 8.51 4.06 0.00 3.30 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 *120 Y 8.10 4.18 0.00 2.96 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 0.00 121 K 7.99 4.02 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 122 A 7.15 4.23 0.87 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 *125 K 7.98 4.27 0.00 2.10 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.01 7.81 126 V 7.89 3.76 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 1.13 0.00 0.00 0.99 0.00 0.00 127 F 8.29 4.45 0.00 3.00 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 0.00 128 E 7.86 4.21 0.00 2.50 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 2.34 2.15 0.00 129 N 8.06 4.97 0.00 2.90 2.82 0.00 0.00 6.74 7.78 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 0.00 130 L 7.36 4.91 0.00 1.38 1.39 0.82 0.95 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 0.00 131 T 9.28 4.31 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 1.23 0.00 0.00 132 E 8.53 3.97 0.00 2.00 2.00 0.00 0.00 0.00 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 1.97 0.00 133 N 8.00 4.56 0.00 2.69 2.85 0.00 0.00 7.17 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 0.00 134 E 8.17 3.89 0.00 2.07 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 2.31 0.00 135 I 7.43 3.28 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.43 0.50 0.00 0.00 136 E 7.80 3.95 0.00 2.05 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 2.30 2.44 0.00 137 E 8.38 4.03 0.00 2.14 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 2.38 2.43 0.00 138 L 8.42 3.94 0.00 1.78 1.85 0.96 0.97 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 0.00 139 I 7.71 3.73 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.94 0.00 0.00 140 R 8.03 3.89 0.00 1.99 1.92 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 141 L 8.06 4.03 0.00 1.83 1.72 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.13 4.47 0.00 2.96 2.94 0.00 0.00 6.70 7.21 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 0.00 143 K 8.10 3.94 0.00 2.15 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 144 K 8.03 4.00 0.00 2.05 1.98 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.32 7.81 145 V 7.98 3.60 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 1.14 0.00 0.00 1.06 0.00 0.00 146 E 8.37 3.91 0.00 2.13 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 0.00 2.30 2.30 0.00 147 T 8.26 3.86 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 1.28 0.00 0.00 148 L 8.09 4.13 0.00 1.81 1.79 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.95 4.15 0.00 1.78 1.73 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.09 4.06 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 151 K 7.51 4.30 0.00 1.92 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.66 7.81 * Residues marked with a * may have inaccurate shift predictions.