NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.6152 8.3644 120.5320 54.2644 43.1467 176.7257 9 D 4.3402 7.7729 117.2683 55.9846 41.5929 176.8260 10 L 4.0233 8.6222 121.8024 57.8210 42.5908 177.9737 11 E 3.9940 8.3380 118.3341 59.7695 29.4579 179.3022 12 Q 4.0573 8.0733 117.3096 58.7925 28.9089 178.0494 13 Y 4.0139 7.8348 120.4950 60.6522 38.9395 177.7740 14 L 3.9280 8.1436 119.9426 57.8254 41.6980 179.1254 15 D 4.2885 8.1118 118.6799 57.5363 40.7809 178.3709 16 E 3.8735 8.1329 119.5278 59.3967 29.4952 179.2154 17 K 3.7865 7.6373 117.8836 59.4446 32.0798 179.4976 18 I 3.6564 7.6498 120.0572 64.3642 36.9986 178.5813 19 L 3.9760 8.3294 120.2601 57.3841 41.2795 179.5488 20 R 3.8228 8.1025 119.1452 59.2003 29.8140 178.2904 21 L 3.8491 7.6070 118.9016 57.9769 42.1671 178.2456 22 K 3.8805 7.9981 118.6787 59.8537 32.2748 178.0682 23 D 4.5533 8.1089 118.8361 57.1786 40.6754 179.5960 24 E 4.3317 8.2676 118.0273 56.6873 29.4381 178.8175 *26 N 4.7863 8.1794 118.4738 53.5932 40.9349 177.0006 27 I 3.7068 8.1648 118.7119 64.4456 37.1544 178.2088 28 A 3.9744 8.3715 121.4089 55.2882 18.1879 179.5889 29 A 3.8572 8.0538 118.6823 55.1329 18.4903 179.7952 30 Q 3.9502 8.1410 116.7322 59.1391 28.8054 178.8591 31 L 3.9907 8.2502 120.3693 57.8788 41.5448 179.3826 32 D 4.3073 8.1036 118.9375 57.1916 40.7160 178.7986 33 I 3.6558 7.8354 120.3566 64.4817 37.0591 178.0028 34 D 4.3769 8.3515 119.9751 57.8311 40.6600 179.1315 35 T 3.8399 7.9976 115.9561 66.7619 68.4877 176.7472 36 L 4.0091 8.1521 120.9549 57.6292 41.5990 179.2364 37 N 4.3062 8.6144 116.9912 56.3096 38.4659 177.2897 38 K 4.0037 8.2718 121.0985 59.5090 32.0829 178.7934 39 R 3.8776 8.2035 119.1061 59.3672 29.7429 178.6469 40 I 3.7811 7.6540 118.9680 64.2300 37.1950 177.9329 41 E 4.1192 8.5607 119.2643 59.0995 29.4708 178.6679 42 T 4.3850 8.0588 107.0077 60.7486 69.6410 175.6577 43 G 3.7496 7.5122 109.2727 45.9785 0.0000 173.1886 44 D 4.5360 7.7955 120.3484 53.3364 40.4983 176.6848 45 T 4.3193 8.3539 116.6863 62.3356 69.2536 175.5357 46 S 4.2281 8.6608 116.6481 59.3278 63.0738 173.9620 47 L 4.4542 7.4416 122.5388 53.3888 41.4803 175.5821 48 I 4.4235 8.1118 123.3249 58.8194 40.5292 174.4384 49 A 4.4871 8.3392 130.0313 51.0003 20.5855 176.6244 *51 Q 4.3601 8.4266 118.8422 55.9714 31.1619 178.2771 52 K 3.2054 8.0252 117.3122 59.0007 31.5773 179.3765 53 V 3.5387 7.4481 116.7787 66.0702 31.4355 177.5843 54 K 4.0780 7.9242 116.3776 59.4671 32.4081 178.4436 55 L 4.2822 7.9069 119.5753 56.7574 42.0373 178.1520 56 L 4.2639 8.0647 120.9432 58.3037 41.9315 176.9798 57 P 4.2797 0.0000 0.0000 65.6128 31.2652 178.4807 58 K 3.9414 8.0391 117.8568 59.3334 32.0610 178.8760 59 V 3.4349 7.7923 118.1114 66.1770 31.3793 178.0489 60 V 3.5461 8.1538 118.1907 65.7993 31.1081 177.8448 61 S 4.0456 7.8313 112.0547 61.4720 62.4533 176.1133 62 V 3.6983 7.8211 120.8003 66.0335 31.0989 178.0294 63 L 3.9841 8.0535 117.9683 57.1529 41.4793 178.8339 64 S 4.6152 7.6417 112.0628 58.3610 63.7230 174.3563 65 K 4.1028 7.5952 123.4375 55.7372 31.8276 177.4440 66 A 4.0233 8.7058 128.8149 55.1007 18.4600 178.5986 67 N 4.5866 8.0898 110.7848 54.4809 37.8366 175.9923 68 L 4.4176 7.8225 118.6895 54.7449 42.0969 177.7628 69 A 3.9443 7.6886 121.8832 55.5631 18.2490 179.5338 70 D 4.2612 7.9809 116.5766 57.7236 41.0086 178.9776 71 T 3.8153 7.7862 115.7768 66.5715 68.3699 176.6064 72 I 3.5968 8.0801 122.0637 64.4279 37.0158 178.6025 73 L 3.8081 8.1240 120.1371 57.8058 41.2116 179.3107 74 D 4.3972 8.4654 118.2144 56.6795 40.7361 177.5346 75 N 4.6987 7.7440 114.3419 51.7696 39.2562 174.2500 76 N 4.0920 7.9993 118.2177 54.0843 38.2400 175.9942 77 L 3.8867 7.4815 119.8849 57.9044 42.0821 177.6383 78 L 3.9449 7.7455 118.0895 57.1843 41.4837 178.8868 79 Q 4.2864 7.8190 121.3860 58.6880 28.9420 178.3817 80 S 4.1061 7.9140 116.3674 61.2138 62.6235 176.5762 81 V 3.2973 7.4484 119.6858 65.8543 31.5884 177.5143 82 R 4.0137 8.3051 118.5846 59.6761 29.4378 178.2933 83 I 3.9373 7.7724 119.4437 64.5928 36.9116 178.4769 84 W 4.3169 8.2755 118.4745 59.5486 28.9155 178.0486 85 L 4.3971 7.7943 117.7119 55.5172 41.6672 177.2690 86 E 4.2771 7.2818 116.4037 54.7596 30.4351 174.9111 87 P 4.3956 0.0000 0.0000 62.2835 32.2194 176.2487 88 L 4.0768 7.9275 121.4466 54.3341 42.2139 176.6833 89 P 4.5286 0.0000 0.0000 65.6480 31.0083 177.8505 90 D 4.3477 8.1685 117.5369 55.2428 40.7739 178.3106 91 G 4.0097 8.4364 106.7362 45.5372 0.0000 174.2372 92 S 4.3912 7.4794 114.4876 57.8916 63.9389 173.7642 93 L 4.4884 8.1290 122.4275 52.5227 43.0810 174.4597 94 P 4.5172 0.0000 0.0000 62.1322 32.1524 176.6507 95 S 4.3512 8.4179 113.3686 58.5655 64.4708 174.8112 96 F 4.1138 9.0066 124.7123 61.7589 39.0839 177.1968 97 E 3.9594 8.3116 118.3635 59.1760 29.4553 178.7413 98 I 3.8029 7.6919 119.4530 64.4591 37.2463 178.2851 99 Q 4.0526 8.1708 118.8769 58.9535 28.5139 179.1172 100 K 3.8645 8.0291 120.6302 59.6274 32.2662 179.1015 101 S 4.1301 8.0895 115.4361 61.6086 62.6541 176.7703 102 L 3.9638 8.2393 121.9688 57.7715 41.2455 179.5710 103 F 4.0622 8.2926 117.5841 60.1805 38.5393 177.6098 104 A 3.9854 8.2145 119.8076 55.2277 18.0533 179.0740 105 A 4.0931 8.0733 119.2386 55.5227 18.1932 179.8829 106 L 4.1555 8.2374 117.3235 57.5388 41.4335 179.1556 107 N 4.4289 7.9036 116.6519 56.6578 38.9858 175.5794 108 D 4.5409 7.7276 117.5081 55.6096 41.4581 176.2219 109 L 4.2997 7.2960 121.6058 53.5769 43.2372 175.9306 110 P 4.6517 0.0000 0.0000 62.2197 29.7629 176.9642 111 V 3.5348 7.1995 117.8755 62.4953 32.6924 174.8503 112 K 4.6633 8.2607 124.5363 54.1890 35.4475 176.9743 113 T 3.8941 8.5884 116.9761 67.2432 68.0668 176.4787 114 E 3.9996 7.9616 118.3573 59.2698 29.8466 178.7579 115 H 4.2482 7.9607 117.7110 58.6063 28.6843 177.3576 116 L 3.9355 7.8016 120.3146 57.7423 41.1727 179.7681 117 K 3.9400 7.5918 117.3843 59.4682 32.2341 178.3862 118 E 4.0229 7.5794 118.4126 59.2075 29.2120 178.3790 119 S 4.5221 8.1277 112.1207 57.7744 63.8874 175.8742 120 G 4.0079 7.8961 110.6344 46.0239 0.0000 175.1457 121 L 4.2310 7.8539 122.3695 57.6869 41.8991 179.1569 122 G 3.7685 8.1422 105.5562 47.7365 0.0000 175.3837 123 R 3.9868 8.0551 120.9149 59.2430 30.1874 178.6137 124 V 3.7811 7.5602 116.6053 66.1513 31.3436 178.1680 125 V 4.0210 8.2412 117.3263 65.9681 31.5841 177.7209 126 I 3.9211 8.4484 120.1682 64.4340 37.0479 177.7161 127 F 4.0658 8.6536 121.7531 62.0330 39.2578 177.0181 128 Y 4.1323 8.6358 115.7954 60.7620 37.3305 178.5607 129 T 4.0535 7.9801 110.6719 63.9348 69.1262 176.3767 130 K 4.1358 7.6094 119.4577 56.9897 33.1581 177.3577 131 S 3.6830 7.3454 113.8181 58.7668 62.3610 175.1009 132 K 4.1120 8.3915 125.7930 58.1897 32.1668 177.9052 133 R 4.1601 7.5906 116.8143 56.8091 30.4421 176.4603 134 V 4.1409 7.0224 118.7230 61.2910 32.6348 176.0563 135 E 4.1390 8.8461 126.3685 56.4388 31.2688 178.0965 136 A 4.0038 8.6063 124.5377 55.4076 18.6201 180.1561 137 Q 3.9625 8.0836 116.1135 59.1694 28.7676 178.9413 138 L 3.8419 7.7018 118.5438 57.5507 41.6580 179.3342 139 A 4.1683 8.0172 122.0282 54.1734 18.0874 179.8123 140 R 3.6636 7.7844 117.6009 59.4388 30.2094 178.1487 141 L 3.7499 7.5821 119.7242 58.1607 42.1381 178.4941 142 A 3.7455 7.6707 120.8110 55.4349 18.2763 179.5611 143 E 3.8253 7.9612 116.6639 59.8438 29.4881 178.6544 144 K 3.6171 8.2838 119.3088 59.3909 31.8721 178.2515 145 L 3.0866 8.0462 118.3948 57.8853 41.5610 179.8302 146 I 3.6790 7.0203 115.5929 63.1789 38.1251 177.5914 147 A 4.4758 7.5274 122.9507 54.6875 18.2633 179.2672 148 E 3.9931 7.9051 115.6089 58.6839 29.6511 178.7272 149 W 4.9782 7.5430 117.3296 57.9028 30.7213 176.0111 150 T 4.2250 8.0744 120.2806 64.0957 69.4444 173.1686 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 8 D 8.36 4.62 0.00 2.66 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 9 D 7.77 4.34 0.00 2.79 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 10 L 8.62 4.02 0.00 1.73 1.65 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.34 3.99 0.00 2.19 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 2.41 2.48 0.00 12 Q 8.07 4.06 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 13 Y 7.83 4.01 0.00 3.11 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 14 L 8.14 3.93 0.00 1.90 1.71 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.11 4.29 0.00 2.84 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 16 E 8.13 3.87 0.00 2.07 2.03 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 2.24 2.27 0.00 17 K 7.64 3.79 0.00 1.79 1.65 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.62 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.84 0.95 7.81 18 I 7.65 3.66 1.92 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 1.45 0.49 0.83 0.00 0.00 19 L 8.33 3.98 0.00 1.76 1.66 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.10 3.82 0.00 2.01 2.02 0.00 3.17 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 21 L 7.61 3.85 0.00 1.60 1.77 0.84 0.39 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 22 K 8.00 3.88 0.00 1.76 1.97 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 23 D 8.11 4.55 0.00 2.91 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 24 E 8.27 4.33 0.00 2.14 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 2.35 2.47 0.00 *26 N 8.18 4.79 0.00 2.95 2.94 0.00 0.00 7.01 7.49 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 27 I 8.16 3.71 2.04 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 1.47 0.85 0.93 0.00 0.00 28 A 8.37 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.86 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 30 Q 8.14 3.95 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 31 L 8.25 3.99 0.00 1.80 1.69 0.92 1.12 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 32 D 8.10 4.31 0.00 2.71 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 33 I 7.84 3.66 1.98 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 1.50 0.51 0.90 0.00 0.00 34 D 8.35 4.38 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 35 T 8.00 3.84 4.36 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 1.22 0.00 0.00 36 L 8.15 4.01 0.00 1.66 1.70 0.89 0.70 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 37 N 8.61 4.31 0.00 2.82 3.04 0.00 0.00 6.62 7.61 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 38 K 8.27 4.00 0.00 1.95 1.91 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 39 R 8.20 3.88 0.00 1.91 2.07 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 40 I 7.65 3.78 2.00 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 1.52 0.76 0.91 0.00 0.00 41 E 8.56 4.12 0.00 1.88 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 2.34 2.37 0.00 42 T 8.06 4.39 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 1.22 0.00 0.00 43 G 7.51 3.75 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 0.00 0.00 0.00 44 D 7.80 4.54 0.00 2.78 2.58 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 45 T 8.35 4.32 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 46 S 8.66 4.23 0.00 3.98 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 0.00 47 L 7.44 4.45 0.00 1.74 1.66 0.93 0.69 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 48 I 8.11 4.42 1.86 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 1.34 0.75 0.90 0.00 0.00 49 A 8.34 4.49 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 *51 Q 8.43 4.36 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 52 K 8.03 3.21 0.00 1.12 0.74 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.52 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.95 7.81 53 V 7.45 3.54 2.03 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 0.91 0.00 0.00 0.88 0.00 0.00 54 K 7.92 4.08 0.00 1.95 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 55 L 7.91 4.28 0.00 1.88 2.20 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.06 4.26 0.00 2.20 1.94 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.28 0.00 2.23 2.13 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 58 K 8.04 3.94 0.00 1.88 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 59 V 7.79 3.43 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 0.70 0.00 0.00 0.56 0.00 0.00 60 V 8.15 3.55 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 0.94 0.00 0.00 0.99 0.00 0.00 61 S 7.83 4.05 0.00 4.00 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 62 V 7.82 3.70 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 0.90 0.00 0.00 0.91 0.00 0.00 63 L 8.05 3.98 0.00 1.57 1.66 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.64 4.62 0.00 4.02 4.10 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 65 K 7.60 4.10 0.00 1.85 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.62 1.52 7.81 66 A 8.71 4.02 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 67 N 8.09 4.59 0.00 2.82 2.95 0.00 0.00 5.96 7.79 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 68 L 7.82 4.42 0.00 1.79 1.69 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.69 3.94 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 70 D 7.98 4.26 0.00 2.68 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 71 T 7.79 3.82 4.34 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 1.25 0.00 0.00 72 I 8.08 3.60 1.99 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 1.43 1.20 0.78 0.00 0.00 73 L 8.12 3.81 0.00 1.56 1.29 0.82 0.54 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 74 D 8.47 4.40 0.00 2.60 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 75 N 7.74 4.70 0.00 2.74 2.77 0.00 0.00 7.00 7.98 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 76 N 8.00 4.09 0.00 2.84 2.77 0.00 0.00 6.82 7.17 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 77 L 7.48 3.89 0.00 1.63 1.53 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.75 3.94 0.00 1.58 1.56 0.63 0.72 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 79 Q 7.82 4.29 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 80 S 7.91 4.11 0.00 3.86 3.66 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 81 V 7.45 3.30 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 0.65 0.00 0.00 0.68 0.00 0.00 82 R 8.31 4.01 0.00 1.92 2.09 0.00 3.22 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 83 I 7.77 3.94 2.16 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 1.56 1.04 1.04 0.00 0.00 84 W 8.28 4.32 0.00 3.30 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 85 L 7.79 4.40 0.00 1.82 1.80 0.33 0.67 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 86 E 7.28 4.28 0.00 2.06 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 2.49 2.21 0.00 87 P 0.00 4.40 0.00 1.96 1.81 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 88 L 7.93 4.08 0.00 1.72 1.75 0.91 0.84 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 89 P 0.00 4.53 0.00 2.02 2.11 0.00 3.67 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 2.02 2.10 0.00 90 D 8.17 4.35 0.00 2.78 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 91 G 8.44 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 0.00 0.00 0.00 92 S 7.48 4.39 0.00 4.07 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 93 L 8.13 4.49 0.00 1.76 1.78 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.52 0.00 2.23 2.18 0.00 3.99 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 95 S 8.42 4.35 0.00 4.14 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 96 F 9.01 4.11 0.00 3.23 3.20 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 0.00 97 E 8.31 3.96 0.00 2.19 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 2.43 2.46 0.00 98 I 7.69 3.80 2.07 0.00 0.00 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 1.59 0.53 1.07 0.00 0.00 99 Q 8.17 4.05 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 100 K 8.03 3.86 0.00 1.32 1.62 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.31 7.81 101 S 8.09 4.13 0.00 3.99 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 0.00 102 L 8.24 3.96 0.00 1.57 1.49 1.01 1.30 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 0.00 103 F 8.29 4.06 0.00 3.17 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 0.00 104 A 8.21 3.99 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 0.00 105 A 8.07 4.09 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 0.00 106 L 8.24 4.16 0.00 2.01 2.14 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.90 4.43 0.00 2.88 3.04 0.00 0.00 7.22 9.28 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 0.00 108 D 7.73 4.54 0.00 2.78 2.73 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 0.00 0.00 0.00 109 L 7.30 4.30 0.00 1.59 1.70 0.86 0.82 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 0.00 110 P 0.00 4.65 0.00 2.06 2.03 0.00 3.68 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 2.00 2.07 0.00 111 V 7.20 3.53 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 -0.11 0.00 0.00 0.54 0.00 0.00 112 K 8.26 4.66 0.00 1.61 1.67 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.56 7.81 113 T 8.59 3.89 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 1.23 0.00 0.00 114 E 7.96 4.00 0.00 2.08 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 2.03 2.20 0.00 115 H 7.96 4.25 0.00 3.12 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.80 3.94 0.00 1.83 1.77 1.17 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.59 3.94 0.00 1.66 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.57 7.81 118 E 7.58 4.02 0.00 2.09 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 0.00 2.31 2.32 0.00 119 S 8.13 4.52 0.00 4.18 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 0.00 120 G 7.90 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 0.00 0.00 0.00 121 L 7.85 4.23 0.00 1.76 1.64 0.89 0.80 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 0.00 122 G 8.14 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 0.00 123 R 8.06 3.99 0.00 1.96 2.23 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 124 V 7.56 3.78 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 1.23 0.00 0.00 0.99 0.00 0.00 125 V 8.24 4.02 2.43 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 1.05 0.00 0.00 1.28 0.00 0.00 126 I 8.45 3.92 2.14 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 1.72 0.84 0.98 0.00 0.00 127 F 8.65 4.07 0.00 3.22 3.45 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 0.00 128 Y 8.64 4.13 0.00 3.43 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 0.00 129 T 7.98 4.05 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 1.32 0.00 0.00 130 K 7.61 4.14 0.00 1.59 1.78 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 131 S 7.35 3.68 0.00 2.72 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 0.00 132 K 8.39 4.11 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 133 R 7.59 4.16 0.00 1.83 1.99 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 134 V 7.02 4.14 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 0.93 0.00 0.00 0.66 0.00 0.00 135 E 8.85 4.14 0.00 2.28 1.98 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 2.62 2.42 0.00 136 A 8.61 4.00 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 0.00 137 Q 8.08 3.96 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 138 L 7.70 3.84 0.00 1.99 1.59 0.84 0.66 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 0.00 139 A 8.02 4.17 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 0.00 140 R 7.78 3.66 0.00 2.01 2.11 0.00 3.08 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 141 L 7.58 3.75 0.00 1.68 1.51 0.87 0.97 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 0.00 142 A 7.67 3.75 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.96 3.83 0.00 2.21 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 2.26 0.00 144 K 8.28 3.62 0.00 1.78 1.81 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.42 7.81 145 L 8.05 3.09 0.00 1.51 0.21 0.82 0.79 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 0.00 146 I 7.02 3.68 1.84 0.00 0.00 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 1.52 0.69 0.94 0.00 0.00 147 A 7.53 4.48 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 0.00 148 E 7.91 3.99 0.00 1.82 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 2.33 2.30 0.00 149 W 7.54 4.98 0.00 3.30 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 0.00 150 T 8.07 4.23 4.38 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 1.27 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.