NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.0100 8.2233 120.3170 52.7722 40.9895 176.0869 2 L 4.0971 8.5519 119.3796 56.7328 41.3259 178.1052 3 W 4.2540 9.2985 129.3533 60.7849 30.9973 177.6654 4 Q 3.7619 8.6366 117.7492 58.7682 28.1279 177.9573 5 F 4.5533 8.6041 122.1155 61.7148 39.3342 177.5367 6 G 3.3909 8.3998 105.1606 47.9693 0.0000 175.6694 7 Q 3.7656 7.5758 120.5982 58.6495 28.6819 178.7974 8 M 3.9919 8.2855 120.2122 58.3214 31.9542 178.7991 9 I 3.5320 7.6268 120.1184 64.2424 37.1755 178.2669 10 L 4.2756 7.7126 122.3965 57.6375 41.7221 179.0899 11 K 4.0246 8.0223 116.9528 58.3957 32.0865 178.1847 12 E 4.4720 7.8147 117.1476 56.7105 30.5959 177.1354 13 T 4.4452 7.8938 107.6816 60.3382 70.4772 175.5235 14 G 3.6821 7.9809 109.5109 46.0857 0.0000 173.1831 *16 K 4.5532 7.4247 117.6747 55.8778 33.1925 175.2203 17 L 4.3108 8.0252 122.1284 53.7690 42.7752 175.1867 18 P 4.4996 0.0000 0.0000 65.5696 31.4657 176.0404 19 F 5.0603 8.3806 117.9889 55.8577 40.4275 173.4753 20 P 3.8095 0.0000 0.0000 63.1949 32.0508 177.1465 21 Y 4.0838 7.7291 116.3199 60.3371 38.1629 176.8828 22 Y 4.4055 8.4739 116.6906 59.8433 39.1566 178.0828 23 T 4.0844 8.2170 109.7921 64.4544 68.9346 175.0896 24 T 4.6153 7.8454 109.5897 61.1028 69.6263 173.3591 25 Y 4.4679 8.4285 125.5493 58.7120 40.1518 175.2557 26 G 3.2586 8.2972 117.4276 47.3470 0.0000 173.8952 27 C 4.9778 9.8228 117.5332 56.8398 42.7748 174.3580 28 Y 4.2053 8.6536 119.6060 59.3451 40.0827 176.9843 29 C 4.6426 9.1640 115.4633 59.8003 40.4173 174.9855 30 G 4.2846 8.0713 105.6309 45.7729 0.0000 173.7645 31 W 4.9987 7.9339 130.2843 57.0448 31.2418 175.4779 32 G 3.9899 9.3983 101.8351 46.0640 0.0000 174.8289 33 G 2.2244 7.7076 104.9832 45.4947 0.0000 175.5774 34 Q 3.8679 7.4371 119.6290 56.2466 29.0134 175.7794 35 G 4.6168 7.8163 103.5513 43.8094 0.0000 172.8512 36 Q 4.2693 8.9957 119.9810 54.8993 29.3080 175.1607 37 P 4.5171 0.0000 0.0000 63.4273 31.2937 176.7560 38 K 3.9596 8.9370 122.9718 58.3598 32.6759 176.3966 39 D 4.6315 7.4584 116.8927 51.1189 42.9294 175.8779 40 A 4.0105 8.5919 120.9029 55.7158 18.6584 179.1960 41 T 4.2225 8.1660 113.7765 67.2524 68.3452 175.8633 42 D 4.6599 9.2894 119.9329 57.6121 41.2551 178.2590 43 R 4.1218 8.3564 118.8687 59.0251 29.9646 177.8053 44 C 4.2652 8.1735 116.7936 60.1469 39.1662 175.2370 45 C 4.3301 8.3602 117.7493 60.0177 37.2045 175.7503 46 F 3.1162 7.6515 120.9223 60.7654 38.7413 177.4592 47 V 3.2234 7.6730 118.0260 65.7499 31.2585 177.2047 48 H 3.7444 8.1928 118.4199 59.4158 29.5678 176.4447 49 D 4.2031 7.7636 120.2324 57.7105 40.7971 178.2858 50 C 3.9995 7.5838 116.4664 60.2363 39.9892 175.2389 51 C 4.0054 8.2969 118.7429 60.2191 44.5020 175.0457 52 Y 4.3158 8.1897 118.3816 61.0273 37.1649 178.6635 53 G 3.7008 8.3141 106.5582 47.4089 0.0000 175.0092 54 K 4.2495 7.6979 118.3152 57.2797 34.4456 177.6210 55 L 4.3643 7.4422 123.2958 53.4677 40.1628 176.5268 56 T 3.8040 7.3849 108.8273 61.9902 69.6837 175.2392 *59 N 4.3624 8.5982 124.1900 53.1367 40.3241 174.7184 *61 C 5.2986 7.7637 113.6897 57.1502 42.1691 173.4200 *67 K 4.5304 7.8928 118.7514 56.4087 30.2698 174.8669 68 P 4.0464 0.0000 0.0000 64.5424 31.9719 179.0505 69 K 4.3070 7.9390 117.3061 58.3452 32.2469 178.0063 70 T 4.5955 7.2214 105.3849 60.7373 70.1028 173.3719 71 D 4.6773 8.2189 122.7422 53.2548 42.1816 175.3053 72 R 4.6610 8.4444 124.9763 54.5073 32.0133 174.9423 73 Y 4.9097 7.5197 119.7999 55.1534 40.5286 174.1242 74 S 5.1381 8.5275 113.7067 57.1267 64.6498 172.3485 75 Y 5.0018 8.1991 122.6801 56.3800 40.8285 173.7664 76 S 4.2837 9.2913 114.7828 56.8465 65.3261 173.9725 77 R 4.5859 8.4900 126.3340 56.2033 30.3210 177.0862 78 E 4.2683 8.1308 112.7152 58.2963 29.0232 176.3856 79 N 4.9076 7.5480 115.2237 52.8766 40.1448 174.7811 80 G 4.3327 9.2131 113.0182 45.5829 0.0000 175.1919 81 V 4.3496 7.2996 110.8894 59.1534 33.6291 175.4117 82 I 4.2080 8.0936 123.1563 61.2458 37.9808 175.3203 83 I 4.5730 8.3928 126.6459 59.2545 40.8323 173.6265 84 C 4.7391 9.0448 127.5736 57.1422 40.7682 174.3886 85 G 4.1513 8.7757 113.0850 45.0628 0.0000 172.8711 86 E 4.5507 8.7422 119.0674 55.1309 31.2480 175.7590 87 G 3.9096 7.9241 107.6834 45.8577 0.0000 172.3457 88 T 3.9080 7.6837 109.7760 61.4469 69.2952 173.1374 *90 P 4.4018 0.0000 0.0000 62.8985 33.6097 179.9483 91 C 4.1878 8.2677 115.2276 60.1360 36.8556 175.4515 92 E 4.0369 8.0164 119.8083 59.8813 29.2590 179.9802 93 K 3.9902 7.8752 117.6702 59.3270 32.2024 179.5231 94 Q 3.9412 8.4654 118.8232 59.0873 28.5728 179.0382 95 I 3.6567 7.7865 120.7844 64.2303 37.1346 177.4881 96 C 2.9825 7.5827 119.3108 59.5355 43.9430 175.6164 97 E 3.8385 7.7925 119.4016 59.3976 28.9797 178.6780 98 C 4.1817 7.9497 116.0886 60.2217 41.5522 175.8117 99 D 4.0285 8.2573 120.5453 57.1973 40.4205 178.8685 100 K 3.8096 8.4967 120.1037 59.5616 32.2286 178.6412 101 A 4.1774 8.0868 120.2592 54.2660 18.2853 179.5900 102 A 3.5606 7.8373 119.6010 55.0311 18.5394 179.5997 103 A 3.8828 8.0932 119.6074 55.2815 18.3921 180.1342 104 V 3.5471 8.1277 118.1161 65.0465 31.0395 177.7727 105 C 4.1669 7.7361 118.0872 59.4593 41.3864 174.9430 106 F 4.5620 8.0633 119.7292 60.9364 38.4863 177.2954 107 R 3.8753 8.1342 117.7324 60.0657 29.6535 178.3926 108 E 4.1526 8.4419 116.5430 58.3852 29.6885 177.5999 109 N 5.0215 7.8607 115.0633 52.7913 39.4759 176.2469 110 L 4.1029 8.2511 124.3752 58.6347 41.8782 180.5433 111 R 4.0446 8.1896 115.9857 58.5612 29.3607 180.7109 112 T 4.6147 7.6772 104.2063 61.3228 69.1306 173.7095 113 Y 4.0685 8.1433 124.8520 58.0945 39.3325 174.9460 114 K 4.6383 8.8599 129.3156 54.8231 33.9435 177.6893 115 K 4.0779 8.9708 126.2544 57.8194 31.6730 175.3255 116 R 4.0090 7.6734 117.3294 58.8869 30.3042 176.7237 117 Y 4.4720 7.7825 115.2730 59.4091 38.1603 175.1963 118 M 4.1595 7.4349 120.5044 56.5089 32.6041 175.3815 119 A 3.7423 8.5472 127.9635 52.8751 16.9381 176.7218 120 Y 3.9164 8.1059 119.8245 58.7737 39.2258 174.1040 121 P 4.1225 0.0000 0.0000 62.1327 30.7899 176.3637 122 D 3.4470 8.2895 125.0552 55.8480 38.8191 179.0022 *124 V 3.8541 7.6265 116.3652 60.9086 32.8389 175.4158 125 L 4.6025 7.5341 118.6001 54.5853 42.7655 175.6840 126 C 4.7619 8.0417 117.7399 56.3058 39.2204 173.2596 127 K 4.7228 8.6048 122.1309 55.8192 34.1439 175.6057 128 K 5.1646 8.5331 122.0112 53.9871 35.9816 173.9496 129 P 4.3894 0.0000 0.0000 62.0673 32.0104 176.0704 130 A 4.0504 8.4374 123.6010 51.9597 18.6121 177.4269 131 E 4.0987 8.5704 124.1632 56.1516 30.3130 176.3462 132 K 4.3066 8.3473 123.7819 56.1574 33.1409 177.3566 133 C 4.4795 8.6866 123.2608 56.9110 44.5889 173.1817 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 1 D 8.22 5.01 0.00 3.20 2.95 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 2 L 8.55 4.10 0.00 1.90 1.98 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.30 4.25 0.00 3.46 3.51 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 4 Q 8.64 3.76 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.45 0.00 0.00 0.00 0.00 0.00 2.67 2.83 0.00 5 F 8.60 4.55 0.00 3.30 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 6 G 8.40 3.39 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 7 Q 7.58 3.77 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 8 M 8.29 3.99 0.00 1.93 2.20 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.10 0.00 9 I 7.63 3.53 1.69 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.14 0.60 0.00 0.00 10 L 7.71 4.28 0.00 1.63 1.80 0.88 0.49 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 11 K 8.02 4.02 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.68 7.81 12 E 7.81 4.47 0.00 1.92 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 2.53 2.39 0.00 13 T 7.89 4.45 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 1.13 0.00 0.00 14 G 7.98 3.68 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 0.00 0.00 0.00 *16 K 7.42 4.55 0.00 1.73 1.16 0.00 1.61 0.00 0.00 1.05 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.71 1.25 7.81 17 L 8.03 4.31 0.00 1.73 1.69 0.97 1.06 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 18 P 0.00 4.50 0.00 2.26 2.14 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 19 F 8.38 5.06 0.00 3.06 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 20 P 0.00 3.81 0.00 1.66 0.85 0.00 3.21 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.00 21 Y 7.73 4.08 0.00 2.84 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 22 Y 8.47 4.41 0.00 2.84 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 23 T 8.22 4.08 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 24 T 7.85 4.62 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 25 Y 8.43 4.47 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.30 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 0.00 0.00 0.00 27 C 9.82 4.98 0.00 3.06 3.23 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 28 Y 8.65 4.21 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.16 4.64 0.00 3.52 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 0.00 31 W 7.93 5.00 0.00 3.31 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 32 G 9.40 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 0.00 0.00 0.00 33 G 7.71 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.44 3.87 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 35 G 7.82 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.00 4.27 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 37 P 0.00 4.52 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.98 0.00 38 K 8.94 3.96 0.00 0.96 1.12 0.00 0.85 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.92 0.21 7.81 39 D 7.46 4.63 0.00 2.99 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 40 A 8.59 4.01 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 41 T 8.17 4.22 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 0.89 0.00 0.00 42 D 9.29 4.66 0.00 3.06 2.91 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 43 R 8.36 4.12 0.00 2.09 2.02 0.00 3.18 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 44 C 8.17 4.27 0.00 2.93 2.59 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 45 C 8.36 4.33 0.00 3.47 3.54 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 0.00 0.00 0.00 0.00 46 F 7.65 3.12 0.00 2.18 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 47 V 7.67 3.22 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 0.80 0.00 0.00 0.93 0.00 0.00 48 H 8.19 3.74 0.00 3.02 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.76 4.20 0.00 3.04 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 50 C 7.58 4.00 0.00 2.80 2.89 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 51 C 8.30 4.01 0.00 2.88 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 52 Y 8.19 4.32 0.00 3.05 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 53 G 8.31 3.70 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 0.00 0.00 0.00 54 K 7.70 4.25 0.00 1.92 2.02 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.44 7.81 55 L 7.44 4.36 0.00 1.74 1.59 0.82 0.67 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 T 7.38 3.80 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 1.19 0.00 0.00 *59 N 8.60 4.36 0.00 2.83 2.89 0.00 0.00 7.09 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 *61 C 7.76 5.30 0.00 3.04 3.01 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 *67 K 7.89 4.53 0.00 1.78 1.79 0.00 1.93 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.36 7.81 68 P 0.00 4.05 0.00 0.67 1.06 0.00 3.40 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 69 K 7.94 4.31 0.00 1.86 1.95 0.00 1.71 0.00 0.00 2.02 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.48 7.81 70 T 7.22 4.60 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 1.24 0.00 0.00 71 D 8.22 4.68 0.00 2.66 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 72 R 8.44 4.66 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 73 Y 7.52 4.91 0.00 3.10 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 74 S 8.53 5.14 0.00 4.00 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 75 Y 8.20 5.00 0.00 3.22 3.08 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 76 S 9.29 4.28 0.00 3.84 3.73 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 77 R 8.49 4.59 0.00 2.10 1.94 0.00 3.41 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 78 E 8.13 4.27 0.00 1.95 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 2.29 2.35 0.00 79 N 7.55 4.91 0.00 2.64 2.74 0.00 0.00 7.13 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 80 G 9.21 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 0.00 0.00 0.00 0.00 81 V 7.30 4.35 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 0.77 0.00 0.00 0.95 0.00 0.00 82 I 8.09 4.21 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.92 0.00 0.00 83 I 8.39 4.57 1.91 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 1.27 1.75 1.01 0.00 0.00 84 C 9.04 4.74 0.00 2.89 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 85 G 8.78 4.15 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 0.00 86 E 8.74 4.55 0.00 2.10 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 2.26 2.26 0.00 87 G 7.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.68 3.91 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 1.22 0.00 0.00 *90 P 0.00 4.40 0.00 2.21 2.16 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 91 C 8.27 4.19 0.00 2.96 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 92 E 8.02 4.04 0.00 2.36 2.16 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 2.59 2.59 0.00 93 K 7.88 3.99 0.00 2.03 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 94 Q 8.47 3.94 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.80 2.42 0.00 95 I 7.79 3.66 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.96 0.00 0.00 96 C 7.58 2.98 0.00 2.19 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 97 E 7.79 3.84 0.00 2.13 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 2.38 2.44 0.00 98 C 7.95 4.18 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.26 4.03 0.00 2.76 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 0.00 100 K 8.50 3.81 0.00 1.74 1.90 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 101 A 8.09 4.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.84 3.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.09 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.13 3.55 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 0.96 0.00 0.00 0.91 0.00 0.00 105 C 7.74 4.17 0.00 3.04 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 0.00 106 F 8.06 4.56 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.88 0.00 1.94 2.14 0.00 3.09 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 108 E 8.44 4.15 0.00 2.09 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 2.35 2.60 0.00 109 N 7.86 5.02 0.00 2.96 2.89 0.00 0.00 6.81 6.89 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 0.00 110 L 8.25 4.10 0.00 1.82 1.75 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.19 4.04 0.00 1.83 1.86 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 112 T 7.68 4.61 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 1.26 0.00 0.00 113 Y 8.14 4.07 0.00 3.12 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 0.00 114 K 8.86 4.64 0.00 1.21 1.28 0.00 1.31 0.00 0.00 1.03 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.54 7.81 115 K 8.97 4.08 0.00 1.68 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.02 7.81 116 R 7.67 4.01 0.00 1.60 1.71 0.00 3.21 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 117 Y 7.78 4.47 0.00 2.00 1.63 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 0.00 118 M 7.43 4.16 0.00 1.85 2.13 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 119 A 8.55 3.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.11 3.92 0.00 2.87 2.89 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 0.00 121 P 0.00 4.12 0.00 1.80 1.77 0.00 2.70 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 1.81 1.85 0.00 122 D 8.29 3.45 0.00 1.58 2.14 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 *124 V 7.63 3.85 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 0.63 0.00 0.00 0.85 0.00 0.00 125 L 7.53 4.60 0.00 1.34 1.64 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.76 0.00 2.42 3.08 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 0.00 127 K 8.60 4.72 0.00 1.85 1.94 0.00 1.43 0.00 0.00 1.86 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 128 K 8.53 5.16 0.00 1.82 1.97 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.45 7.81 129 P 0.00 4.39 0.00 2.23 2.11 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 130 A 8.44 4.05 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 0.00 131 E 8.57 4.10 0.00 1.84 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 0.00 2.38 2.35 0.00 132 K 8.35 4.31 0.00 1.82 1.74 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 133 C 8.69 4.48 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.