NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.6490 8.3149 122.0576 56.6691 33.4165 174.7526 4 T 4.5650 8.8723 123.8305 60.8278 72.6001 167.7917 5 V 4.2773 9.2540 126.9101 62.2895 33.3589 174.6246 6 I 4.5076 8.7210 129.3309 60.2936 38.9644 175.0110 7 T 4.9463 8.2765 122.5120 62.3776 72.8195 173.3407 8 S 4.6063 9.6678 120.3319 56.5771 65.5233 174.0428 9 D 4.6710 8.7133 125.3168 54.3306 39.5932 177.1891 10 K 4.0726 8.0528 119.4762 58.1022 32.4535 176.8454 11 A 4.7328 7.3108 120.9512 49.3148 20.8789 174.8988 12 P 4.3104 0.0000 0.0000 62.3011 31.9565 176.7795 13 A 3.9136 8.5577 124.5826 52.6307 18.7093 177.7963 14 A 4.4250 8.0898 124.8926 49.9116 17.9812 175.3364 15 I 4.1000 8.6612 121.2712 60.9328 38.2197 175.3892 16 G 4.0827 8.5374 111.2267 42.8149 0.0000 171.5597 17 P 4.6782 0.0000 0.0000 61.2108 30.2935 174.4820 18 Y 4.8675 7.1749 116.0381 56.9218 41.2070 174.1288 19 S 4.7853 8.2719 115.8712 56.3806 65.9540 174.5740 20 Q 4.1884 8.6312 121.3647 59.2996 28.7999 176.9287 21 A 4.8772 7.5149 115.0786 51.0985 23.4053 175.3775 22 I 4.9076 8.7870 120.4504 59.3995 40.7535 174.5353 23 K 4.9277 9.2245 128.9348 54.9584 34.1126 174.8618 24 A 4.7516 9.2843 129.7031 49.6570 21.4411 176.2056 25 G 3.8324 8.9429 113.6681 48.0540 0.0000 174.8192 26 N 4.6234 8.7949 123.0424 53.6848 39.2416 173.7980 27 T 4.8769 7.8007 116.7338 61.8844 70.6898 173.7251 28 V 4.7433 8.8362 126.9992 61.5713 33.5886 174.8585 29 Y 4.6370 8.9932 126.2811 56.8348 40.3407 174.9910 *31 S 4.5427 8.3987 115.9340 58.0488 64.0754 174.4051 32 G 3.8726 8.4360 110.3927 45.2884 0.0000 173.0803 33 Q 4.6627 8.6409 121.5705 53.7043 31.2843 175.2094 34 I 4.5650 7.9550 114.9777 58.2575 40.6566 174.5870 35 P 4.5965 0.0000 0.0000 62.0150 29.9503 176.6650 36 L 4.7511 7.5997 117.8082 53.8073 43.1329 176.6140 37 D 4.5695 8.8770 123.6800 52.9181 41.3394 174.8791 38 P 4.3108 0.0000 0.0000 65.7931 31.4748 178.0265 39 S 4.3437 8.1664 111.3483 59.9668 64.0135 174.4932 40 T 3.9817 7.7816 108.9678 62.1003 69.4322 174.7527 *42 E 4.2206 8.4633 116.6974 55.3084 32.3256 175.8498 43 L 5.2884 8.2357 121.0652 54.2240 42.4874 177.6038 44 V 3.9685 8.3088 115.8409 61.2393 32.6104 175.6130 45 E 4.2756 8.6448 122.6718 56.7014 30.7430 177.0534 46 G 3.9402 8.7092 109.7952 46.0111 0.0000 174.2182 47 I 3.5887 8.4260 122.7875 64.0081 37.9521 178.0988 48 E 3.9767 8.1465 118.6867 59.5057 29.3315 179.0976 49 A 4.0340 7.9748 120.2334 55.1385 18.4510 179.6278 50 Q 3.9317 8.3035 116.9318 59.0920 28.8086 178.8098 51 I 3.5923 8.1282 121.2398 64.7383 37.0946 178.6539 52 T 4.0923 8.2601 116.7707 66.7568 68.2001 176.5628 53 Q 3.9788 8.5065 121.9050 59.0909 28.9940 178.4209 54 V 3.5384 7.8994 119.4146 65.9829 31.4591 178.1000 55 F 4.4589 7.9038 117.5709 60.5425 38.5901 177.5130 56 E 4.0505 8.5148 118.4758 59.4913 29.3577 179.1632 57 N 4.3832 8.5167 116.7345 56.4661 38.5672 177.5459 58 L 4.1829 8.3403 120.5142 57.5792 41.6463 179.4630 59 K 3.9006 8.7574 120.1762 59.6308 32.1842 178.9897 60 S 4.1241 8.3138 115.5193 61.6243 62.8154 176.9874 61 V 3.6284 7.8647 120.2054 65.8588 31.3415 177.8481 62 A 4.1050 8.4524 120.9026 55.4810 18.1855 179.6729 63 Q 4.1965 8.6641 117.6682 58.5486 28.5759 178.8319 64 A 4.0433 7.9149 120.2362 54.3275 18.4311 178.4368 65 A 4.4735 7.5896 117.0167 51.5910 19.0022 177.6462 66 G 3.9128 8.2285 105.9071 46.3009 0.0000 174.4195 67 G 4.1359 7.9065 110.2778 44.8479 0.0000 171.4192 68 S 4.5804 8.5406 114.1081 57.6370 66.2512 175.6404 69 F 4.4096 8.6887 118.0263 60.2275 38.6214 178.0490 70 K 4.1239 7.7739 119.8584 59.0890 32.0389 177.5259 71 D 4.6548 8.3061 117.2660 54.4984 41.2639 176.1252 72 I 4.3747 7.4959 121.4611 61.4804 37.5995 176.0470 73 V 4.2496 8.7402 118.8197 62.0075 33.7583 175.9619 74 K 5.0774 7.7728 120.7193 54.5861 36.0214 174.6508 75 L 5.1181 8.8255 128.0662 53.3520 45.4310 174.4462 76 N 5.1658 8.8734 123.6174 51.4452 40.8637 174.1141 77 I 4.1341 8.2716 124.6098 59.3446 40.0407 174.4626 78 F 5.2459 8.8768 126.4238 55.6947 41.5325 174.5057 79 L 5.3610 8.5981 123.9048 53.0711 44.6060 177.9739 80 T 4.3643 8.8064 113.0676 63.1787 70.4425 173.6693 81 D 4.7189 7.9558 120.7879 51.4567 42.6779 175.3268 82 L 4.2517 8.5206 127.5502 56.5149 41.4196 179.0763 83 G 3.6601 8.6264 105.9909 47.0603 0.0000 174.3820 84 H 4.8648 8.1109 117.4424 55.8638 29.0088 176.5797 85 F 4.4816 8.4015 124.7846 61.4595 39.1728 176.8711 86 A 3.7810 8.0461 119.9150 54.8137 18.1469 179.3777 87 K 3.9290 7.9159 117.9639 59.4259 32.1294 179.1033 88 V 3.6945 7.4588 117.5582 66.1879 31.5973 177.2752 89 N 4.2456 7.7399 114.8685 56.2377 38.3753 176.7587 90 E 4.0810 8.0129 119.4333 59.0879 30.5866 180.8560 91 I 4.1884 8.0334 122.0071 60.8644 36.0126 177.9296 *93 G 3.9230 7.9938 108.4736 45.2280 0.0000 173.7457 94 S 4.4846 8.1239 112.5632 58.3806 62.7392 173.6290 95 Y 4.3919 7.8564 114.1736 58.0460 39.9735 175.1813 96 F 5.0710 8.1385 116.6398 55.8612 42.9847 173.3747 97 S 4.5950 8.2778 115.8962 56.7037 65.9307 173.6127 98 Q 3.4927 7.7805 119.7929 54.9314 28.8244 174.5815 99 P 4.3410 0.0000 0.0000 62.2622 32.2705 175.9133 100 Y 4.4853 8.1081 120.3724 56.9678 38.6917 173.5172 101 P 4.6470 0.0000 0.0000 62.2874 32.5900 176.1414 102 A 4.4859 8.9486 124.1668 52.3206 19.8099 176.5788 103 R 5.5596 8.2587 113.1948 56.2590 32.2271 174.0188 104 A 4.8575 8.3389 120.4861 50.2150 22.9220 174.9121 105 A 4.9304 8.2531 121.2263 50.2875 22.0649 175.6281 106 I 4.5250 8.4541 115.4579 58.9968 41.7843 174.4462 107 G 4.2039 8.5894 110.9087 45.4273 0.0000 173.6748 108 V 4.4953 8.7828 118.9767 59.5347 34.2676 177.2796 109 A 3.9258 8.6232 124.5741 55.1540 18.5138 177.5271 110 A 4.5462 7.2234 114.7663 51.6172 22.1704 175.0132 111 L 4.8119 7.8556 117.9442 51.8452 45.9611 174.7126 112 P 4.2449 0.0000 0.0000 64.6958 31.6154 177.2283 113 R 3.8579 9.3825 119.2085 56.7378 27.5453 176.7632 114 G 3.8156 8.1795 104.6183 45.8589 0.0000 174.2902 115 A 4.1627 7.5306 121.2251 52.2802 19.0042 178.5443 116 Q 4.6675 9.2949 118.7015 56.1381 30.3191 176.1037 117 V 5.0942 7.4650 117.0575 60.4538 34.1792 173.2536 118 E 5.2546 9.3681 123.0380 54.1137 34.1797 172.9743 *120 D 4.5245 8.4623 119.7471 53.7519 41.2400 173.6937 121 A 5.0206 8.1411 118.3935 51.3641 22.3652 175.4986 122 I 4.5902 8.5790 119.5955 59.3965 40.6713 174.7287 123 L 5.0487 8.7969 128.7431 53.2023 44.8420 175.2298 124 V 4.7207 8.6408 125.6038 60.8585 33.6613 175.3183 125 I 4.0292 8.3299 128.2699 61.6129 36.5528 176.2955 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 K 8.31 4.65 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 4 T 8.87 4.56 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 1.23 0.00 0.00 5 V 9.25 4.28 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 0.77 0.00 0.00 0.93 0.00 0.00 6 I 8.72 4.51 2.00 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 1.27 1.36 0.97 0.00 0.00 7 T 8.28 4.95 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 1.19 0.00 0.00 8 S 9.67 4.61 0.00 3.76 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 9 D 8.71 4.67 0.00 2.83 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 10 K 8.05 4.07 0.00 1.80 1.92 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 11 A 7.31 4.73 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 12 P 0.00 4.31 0.00 2.11 2.05 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 13 A 8.56 3.91 1.24 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 0.00 0.00 0.00 14 A 8.09 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.66 4.10 1.93 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 1.36 0.93 0.93 0.00 0.00 16 G 8.54 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 0.00 0.00 0.00 17 P 0.00 4.68 0.00 2.25 2.16 0.00 3.93 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 2.06 1.99 0.00 18 Y 7.17 4.87 0.00 3.22 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 19 S 8.27 4.79 0.00 3.88 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 20 Q 8.63 4.19 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 21 A 7.51 4.88 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 22 I 8.79 4.91 1.97 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 1.17 1.14 0.97 0.00 0.00 23 K 9.22 4.93 0.00 1.85 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 24 A 9.28 4.75 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 25 G 8.94 3.83 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 26 N 8.79 4.62 0.00 2.85 2.85 0.00 0.00 6.76 7.05 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 27 T 7.80 4.88 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 0.60 0.00 0.00 28 V 8.84 4.74 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 1.10 0.00 0.00 0.94 0.00 0.00 29 Y 8.99 4.64 0.00 2.98 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 *31 S 8.40 4.54 0.00 4.15 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 32 G 8.44 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 33 Q 8.64 4.66 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.66 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 34 I 7.96 4.57 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 0.64 0.90 0.00 0.00 35 P 0.00 4.60 0.00 2.20 2.08 0.00 3.58 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 36 L 7.60 4.75 0.00 1.66 1.62 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.88 4.57 0.00 2.69 2.57 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 38 P 0.00 4.31 0.00 2.09 2.14 0.00 3.75 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 2.19 2.12 0.00 39 S 8.17 4.34 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.98 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 *42 E 8.46 4.22 0.00 1.98 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 2.30 2.56 0.00 43 L 8.24 5.29 0.00 1.54 1.60 1.00 1.07 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 44 V 8.31 3.97 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 1.05 0.00 0.00 45 E 8.64 4.28 0.00 1.96 1.87 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 2.28 2.25 0.00 46 G 8.71 3.94 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 0.00 0.00 0.00 47 I 8.43 3.59 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.79 0.00 0.00 48 E 8.15 3.98 0.00 2.12 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 2.43 2.47 0.00 49 A 7.97 4.03 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 50 Q 8.30 3.93 0.00 2.24 2.14 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 2.45 2.63 0.00 51 I 8.13 3.59 2.06 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 1.51 0.74 1.00 0.00 0.00 52 T 8.26 4.09 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 1.43 0.00 0.00 53 Q 8.51 3.98 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 54 V 7.90 3.54 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 0.94 0.00 0.00 0.95 0.00 0.00 55 F 7.90 4.46 0.00 2.71 1.88 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 56 E 8.51 4.05 0.00 2.19 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 2.68 2.60 0.00 57 N 8.52 4.38 0.00 2.90 3.09 0.00 0.00 7.07 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 58 L 8.34 4.18 0.00 2.17 1.98 0.95 1.10 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 59 K 8.76 3.90 0.00 1.33 1.96 0.00 1.20 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.16 7.81 60 S 8.31 4.12 0.00 4.13 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 61 V 7.86 3.63 2.29 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 1.08 0.00 0.00 1.02 0.00 0.00 62 A 8.45 4.11 1.58 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 0.00 0.00 63 Q 8.66 4.20 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 64 A 7.91 4.04 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 65 A 7.59 4.47 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 66 G 8.23 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 67 G 7.91 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 0.00 0.00 0.00 68 S 8.54 4.58 0.00 3.95 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 69 F 8.69 4.41 0.00 2.77 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 70 K 7.77 4.12 0.00 1.73 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.42 7.81 71 D 8.31 4.65 0.00 2.84 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 72 I 7.50 4.37 2.16 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 1.00 0.00 0.00 73 V 8.74 4.25 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 0.64 0.00 0.00 0.95 0.00 0.00 74 K 7.77 5.08 0.00 1.80 1.55 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.46 7.81 75 L 8.83 5.12 0.00 1.66 1.30 0.97 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.87 5.17 0.00 2.59 2.04 0.00 0.00 6.88 7.86 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 77 I 8.27 4.13 1.74 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.90 0.00 0.00 78 F 8.88 5.25 0.00 3.02 2.87 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 79 L 8.60 5.36 0.00 1.57 1.55 1.04 0.57 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 80 T 8.81 4.36 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 81 D 7.96 4.72 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.52 4.25 0.00 1.70 1.67 0.82 0.61 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 83 G 8.63 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 0.00 0.00 0.00 84 H 8.11 4.86 0.00 3.36 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.40 4.48 0.00 3.08 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 86 A 8.05 3.78 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 87 K 7.92 3.93 0.00 1.93 2.07 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.61 7.81 88 V 7.46 3.69 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 1.04 0.00 0.00 1.08 0.00 0.00 89 N 7.74 4.25 0.00 2.65 2.65 0.00 0.00 7.06 7.19 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 90 E 8.01 4.08 0.00 2.04 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 2.35 2.35 0.00 91 I 8.03 4.19 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.62 1.30 0.00 0.00 *93 G 7.99 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 0.00 0.00 0.00 94 S 8.12 4.48 0.00 3.76 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 95 Y 7.86 4.39 0.00 2.75 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 96 F 8.14 5.07 0.00 3.17 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 97 S 8.28 4.60 0.00 3.81 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 98 Q 7.78 3.49 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 1.83 2.10 0.00 99 P 0.00 4.34 0.00 2.16 2.02 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 100 Y 8.11 4.49 0.00 2.99 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 0.00 101 P 0.00 4.65 0.00 1.80 1.95 0.00 3.51 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 1.58 2.19 0.00 102 A 8.95 4.49 1.26 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 0.00 103 R 8.26 5.56 0.00 1.84 1.76 0.00 2.60 0.00 0.00 3.79 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 104 A 8.34 4.86 1.14 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 0.00 0.00 105 A 8.25 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.45 4.52 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 0.89 0.00 0.00 107 G 8.59 4.20 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 0.00 0.00 0.00 108 V 8.78 4.50 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 0.86 0.00 0.00 1.00 0.00 0.00 109 A 8.62 3.93 1.26 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 0.00 110 A 7.22 4.55 1.18 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 0.00 111 L 7.86 4.81 0.00 1.85 1.48 1.00 0.96 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 0.00 112 P 0.00 4.24 0.00 2.12 1.95 0.00 3.73 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 2.03 2.05 0.00 113 R 9.38 3.86 0.00 1.96 2.05 0.00 3.26 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 114 G 8.18 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 0.00 115 A 7.53 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.29 4.67 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 117 V 7.46 5.09 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 0.60 0.00 0.00 0.86 0.00 0.00 118 E 9.37 5.25 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 2.39 2.30 0.00 *120 D 8.46 4.52 0.00 2.95 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 0.00 121 A 8.14 5.02 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 0.00 122 I 8.58 4.59 1.79 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 0.94 0.78 0.60 0.00 0.00 123 L 8.80 5.05 0.00 1.71 1.45 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.64 4.72 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 0.83 0.00 0.00 0.88 0.00 0.00 125 I 8.33 4.03 1.88 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 1.09 0.93 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.