NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5564 8.1927 115.4124 57.7941 64.6884 174.1960 3 V 3.4134 9.0516 121.3994 64.8759 31.2511 177.0264 4 T 3.8837 8.6441 110.4058 64.6496 69.1383 176.0190 5 K 3.9485 8.1888 121.3724 59.2865 31.8764 179.1006 6 Q 3.9649 8.1582 118.9268 59.1159 29.0309 177.8534 7 L 4.1705 8.0551 119.5156 57.8419 41.9630 179.2363 8 L 4.1661 8.0489 118.9508 57.5197 41.4211 179.5167 9 Q 3.8274 7.8987 116.0234 57.1243 28.9868 177.6850 *11 Q 4.1853 8.0153 120.1547 55.7046 31.0024 176.9937 12 A 4.1368 8.0863 119.4517 55.4455 18.2489 179.3905 13 D 4.3552 8.5368 117.3528 57.3133 40.7973 178.7542 14 A 4.0406 8.1040 120.9184 55.4127 18.4400 178.9648 15 H 3.8188 8.3502 116.4938 59.5750 29.8800 176.7981 16 H 4.0647 8.2624 119.9523 59.5131 29.6186 177.2236 17 L 3.3763 8.1201 120.9587 56.9710 40.7442 179.1328 18 W 4.0019 8.2010 128.7818 60.4247 30.4170 178.2525 19 V 3.1762 7.7183 117.9072 65.8849 31.0208 178.1363 20 K 3.6379 7.8250 118.4456 59.4075 31.9447 179.4064 21 F 4.0104 8.2300 118.2158 60.5478 38.6746 177.4776 22 H 3.2460 7.1496 115.4027 58.0171 27.8166 177.1441 23 N 4.3863 7.1389 118.8093 57.0642 38.5736 176.4196 24 Y 4.1994 7.3192 118.0140 61.4625 37.6587 178.3053 25 H 4.4398 7.5811 119.0198 58.3895 29.9932 176.8538 26 W 4.8986 8.1694 119.6409 58.3672 29.5419 176.7211 27 N 5.3326 8.4409 113.9222 52.7712 39.7630 175.4245 28 V 4.4903 7.9976 119.5935 61.8639 32.2576 175.9050 29 K 4.7187 9.4606 122.3838 55.6014 35.8913 174.8787 30 G 3.8446 9.1078 108.1036 43.5158 0.0000 174.4478 31 L 3.9766 8.5218 120.4961 57.9411 42.2200 177.3232 32 Q 4.5403 8.0223 116.1499 55.9314 29.1550 176.8644 33 F 4.1118 8.5978 123.1412 61.8507 39.1278 177.2264 34 F 3.9543 8.3985 119.5966 61.1184 39.2913 177.1387 35 S 3.9810 8.0390 113.5478 61.4567 62.8337 176.4207 36 I 3.5639 7.7759 123.5210 64.1279 36.9128 177.8026 37 H 3.8247 8.0701 119.4742 59.2895 29.7020 177.2258 38 E 3.6887 7.9220 120.6762 59.2761 29.1718 178.7675 39 Y 3.8238 8.0130 120.0234 60.7820 39.0124 178.0155 40 T 3.7183 8.0228 110.4882 63.9492 68.9651 176.5052 41 E 2.5400 7.4108 122.1854 58.5257 29.6566 178.4781 42 K 3.6135 7.3309 118.8986 59.3229 31.9572 178.4343 43 A 4.0177 7.3133 119.9412 55.4081 18.3685 178.9861 44 Y 4.4738 7.9380 115.3375 60.2425 38.2512 177.9360 45 E 4.4196 8.0488 120.6201 59.1399 29.4742 179.9141 46 E 4.1776 8.3288 118.0841 56.3227 29.6119 179.0448 *48 A 4.2009 8.0126 123.3374 52.4095 20.8375 179.8201 49 E 4.0788 8.3933 115.4040 59.5136 29.4239 179.3607 50 L 4.1871 8.4962 120.7286 58.0210 42.2062 178.5828 51 F 4.1854 8.4225 120.2207 61.5960 39.2043 176.5399 52 D 4.1662 8.2249 117.2736 57.4466 41.0427 178.3579 53 S 4.0130 8.3599 115.8562 61.6132 62.7686 176.5454 54 C 4.0669 8.3208 119.3540 62.5818 27.8944 175.8576 55 A 3.7925 7.5938 122.2142 55.3735 17.8881 179.6704 56 E 3.8488 8.2709 117.1571 59.2919 29.4443 179.6265 57 R 3.9123 7.8538 119.1128 59.2177 30.0990 178.7040 58 V 3.5612 7.6828 118.1627 65.9474 31.4815 178.0689 59 L 4.3980 7.9097 120.0840 57.4732 41.2379 179.4839 60 Q 4.0149 8.1288 117.2780 58.6481 28.6562 177.9596 61 L 4.4113 7.6192 117.4199 54.5677 41.7038 177.6761 62 G 3.8307 8.0968 107.1784 45.3661 0.0000 172.7746 63 E 4.6229 7.9739 120.1033 53.7755 32.3346 174.4938 64 K 4.4153 8.1978 120.1270 54.7267 33.2546 177.1308 65 A 4.1838 8.1796 125.9404 51.6027 19.1588 176.8936 66 I 4.0242 8.2811 121.4640 61.3862 37.5398 176.6754 67 T 4.4993 8.4142 112.7977 61.0176 70.2408 172.9389 68 C 4.6161 7.7547 123.9393 57.5024 32.8275 174.2039 69 Q 4.0181 8.6633 125.2556 58.8158 28.5797 178.2039 70 K 4.0809 8.0412 118.9062 59.2637 32.5725 178.4241 71 V 3.9440 7.7163 118.1057 65.9101 31.0835 178.1426 72 L 3.8760 7.6611 114.7076 56.1126 41.1155 178.6363 *74 E 4.2785 8.0564 120.3482 56.3294 31.2419 176.7725 75 N 4.5496 8.1297 113.8652 54.1493 39.2424 175.6168 76 A 4.2794 7.4674 121.4982 52.3512 18.7334 177.2522 77 K 4.5079 9.3722 120.2754 55.5965 33.8222 176.8265 78 S 2.7900 7.6167 113.7064 56.3706 63.6450 172.1449 79 P 4.2145 0.0000 0.0000 62.7953 31.4705 176.7474 80 K 4.3594 8.4376 122.2147 56.0148 32.9527 176.7590 81 V 4.4939 8.2967 114.6673 59.8278 34.4078 176.0205 82 A 4.8419 8.6571 129.0057 52.1223 19.6337 176.0785 83 K 4.7614 8.0690 117.8907 56.3317 35.5410 176.2853 84 D 4.8564 7.9229 117.3173 52.2003 39.9260 174.5078 85 C 4.7050 6.7775 118.6109 59.1416 34.5131 172.8371 86 F 5.3854 8.8473 123.5982 56.0181 43.5554 174.4237 87 T 4.7484 8.9627 112.1139 60.5668 70.4498 174.1361 88 P 4.2079 0.0000 0.0000 65.8277 31.3394 179.0727 89 L 3.9573 7.8268 117.2507 57.5362 41.4482 179.2295 90 E 3.8985 8.2540 118.7341 59.2617 29.4481 179.3048 91 V 2.7536 7.5879 118.1072 65.9697 31.4127 178.0468 92 I 3.4035 7.3713 119.2633 64.2505 36.9869 178.0486 93 E 3.8170 8.0190 120.0243 59.1778 29.3623 178.9329 94 L 3.9144 7.9148 119.3092 57.8278 41.6670 179.4651 95 I 3.4760 7.7920 120.0625 63.9493 36.8884 178.1544 96 K 3.8228 8.0648 120.7182 59.9083 31.9782 178.8203 97 Q 4.1413 7.9252 117.5356 59.0657 28.6037 178.5340 98 D 4.5236 8.5250 120.2584 57.7462 40.8278 178.4788 99 Y 4.4440 8.8055 117.6849 60.9645 37.8811 178.0010 100 E 4.0720 8.9357 120.2198 59.5122 29.5891 178.7182 101 Y 4.0013 8.3388 119.5057 60.7378 38.9343 178.0778 102 L 3.7523 8.1879 119.8664 57.6710 41.6923 179.2791 103 L 4.1135 8.2782 120.3371 58.2054 42.0272 178.9132 104 A 3.9737 7.9689 120.7100 55.1705 18.2259 179.5261 105 E 3.7030 7.8589 117.1325 59.3691 29.3516 179.5171 106 F 4.1819 8.3859 118.2799 60.4846 38.9542 177.8426 107 K 4.0114 8.3222 118.1833 59.4320 31.8477 179.5757 108 K 4.0042 8.0055 118.8638 59.1557 31.8268 179.1749 109 L 3.9613 8.1159 120.8381 58.0934 41.9588 178.5013 110 N 4.3071 8.5113 117.2885 56.7477 38.9268 176.4891 111 E 3.9397 8.2572 119.6638 59.5719 29.6358 179.3182 112 A 4.0111 8.1276 120.3625 55.0717 18.3654 179.6011 113 A 3.9728 8.2627 119.5894 55.3921 18.5057 179.7761 114 E 3.9982 8.5831 117.5046 59.3948 29.2573 179.7370 115 K 4.0327 7.9569 117.8922 59.2798 32.2173 178.3662 116 E 4.2762 7.9807 115.5373 55.5175 29.7902 176.5357 117 S 3.6679 7.6623 114.1472 59.6010 61.3307 173.7418 118 D 4.7214 8.1526 120.9395 52.8912 40.1626 175.0429 119 T 3.9514 8.0837 116.8327 64.4636 69.0513 176.5882 120 T 3.8617 7.8040 118.1062 66.9695 68.6259 176.6781 121 T 4.0322 8.3412 117.4007 66.5060 68.3487 176.6310 122 A 4.0271 8.2359 122.5808 55.1540 18.4073 179.5206 123 A 3.9526 8.3256 119.4577 55.1461 18.3131 179.5774 124 F 4.2176 8.3281 118.8412 61.5249 39.4439 177.2735 125 A 3.7852 8.2685 120.3691 55.2961 18.2332 179.7003 126 Q 3.9016 8.4241 116.9328 58.9913 28.7191 178.7882 127 E 3.9069 8.2387 119.8277 59.3631 29.3558 179.1451 128 N 3.9467 7.4625 116.3945 55.8751 38.2712 177.4252 129 I 3.6553 7.7457 121.4546 64.4004 37.2055 178.3057 130 A 3.9051 7.9196 121.3880 54.8726 18.2183 179.5191 131 K 3.6070 7.6936 118.0940 59.9843 32.2152 178.6809 132 Y 3.9959 7.8917 116.9121 60.6477 37.8466 177.9770 133 E 4.1059 8.5092 120.1797 59.1269 29.3138 179.2741 134 K 4.1024 7.8412 118.7995 59.6531 32.4319 178.5745 135 S 4.3384 7.9891 112.1437 61.4781 62.5500 175.7878 136 L 4.3415 8.6907 122.2029 57.3194 41.2829 179.1620 137 W 4.3593 8.0870 124.3111 59.0018 30.3287 177.1896 *139 I 3.9220 7.7228 119.8060 61.1846 38.9428 177.9900 140 G 3.6136 8.4321 109.2958 48.5821 0.0000 175.5645 141 A 3.9531 7.5556 122.2348 54.9042 18.5307 178.9624 142 T 3.8697 7.5870 111.6501 66.2885 68.5856 175.2788 143 L 4.2423 7.2586 119.2361 55.7378 42.2596 177.1457 144 Q 4.2606 7.5790 117.1101 55.3847 29.3727 175.3383 145 G 4.0997 8.1128 107.7117 43.2437 0.0000 173.4101 146 A 4.1624 8.3345 124.8448 52.1572 19.1696 177.5522 147 C 4.3032 8.4347 115.8190 60.1135 28.3513 174.1459 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 S 8.19 4.56 0.00 4.11 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 3 V 9.05 3.41 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 1.17 0.00 0.00 1.03 0.00 0.00 4 T 8.64 3.88 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 1.20 0.00 0.00 5 K 8.19 3.95 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 6 Q 8.16 3.96 0.00 2.04 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 7 L 8.06 4.17 0.00 1.79 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.05 4.17 0.00 1.85 1.69 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.90 3.83 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 *11 Q 8.02 4.19 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 12 A 8.09 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.36 0.00 2.77 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 14 A 8.10 4.04 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 15 H 8.35 3.82 0.00 3.12 3.54 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.26 4.06 0.00 3.23 3.41 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 17 L 8.12 3.38 0.00 1.36 0.51 0.93 0.50 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 18 W 8.20 4.00 0.00 3.31 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 19 V 7.72 3.18 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 0.91 0.00 0.00 1.03 0.00 0.00 20 K 7.83 3.64 0.00 1.37 1.35 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.20 7.81 21 F 8.23 4.01 0.00 2.78 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 22 H 7.15 3.25 0.00 2.28 1.31 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.14 4.39 0.00 2.75 2.87 0.00 0.00 7.19 8.30 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 24 Y 7.32 4.20 0.00 2.93 2.60 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 0.00 0.00 0.00 0.00 25 H 7.58 4.44 0.00 3.07 3.08 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.17 4.90 0.00 3.58 3.14 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 27 N 8.44 5.33 0.00 3.27 3.03 0.00 0.00 6.70 7.73 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 28 V 8.00 4.49 2.30 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 0.75 0.00 0.00 1.09 0.00 0.00 29 K 9.46 4.72 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.53 7.81 30 G 9.11 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.52 3.98 0.00 1.62 1.74 0.95 0.71 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 32 Q 8.02 4.54 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 33 F 8.60 4.11 0.00 3.31 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 34 F 8.40 3.95 0.00 3.33 3.13 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 35 S 8.04 3.98 0.00 4.03 4.11 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 36 I 7.78 3.56 1.85 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 1.50 0.73 0.80 0.00 0.00 37 H 8.07 3.82 0.00 2.18 2.76 0.00 5.78 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 38 E 7.92 3.69 0.00 1.83 1.74 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 1.47 1.93 0.00 39 Y 8.01 3.82 0.00 3.04 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 T 8.02 3.72 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 1.24 0.00 0.00 41 E 7.41 2.54 0.00 1.87 1.74 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 1.88 1.70 0.00 42 K 7.33 3.61 0.00 1.70 1.58 0.00 1.45 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.32 7.81 43 A 7.31 4.02 1.07 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 0.00 0.00 44 Y 7.94 4.47 0.00 2.65 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 45 E 8.05 4.42 0.00 2.14 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 0.00 2.44 2.25 0.00 46 E 8.33 4.18 0.00 2.31 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 0.00 2.35 2.54 0.00 *48 A 8.01 4.20 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 49 E 8.39 4.08 0.00 2.32 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 2.40 2.55 0.00 50 L 8.50 4.19 0.00 2.08 1.88 1.40 1.32 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 51 F 8.42 4.19 0.00 3.06 3.24 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 52 D 8.22 4.17 0.00 2.95 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 53 S 8.36 4.01 0.00 3.99 3.62 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 54 C 8.32 4.07 0.00 2.94 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 55 A 7.59 3.79 1.07 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 0.00 0.00 56 E 8.27 3.85 0.00 2.00 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 2.26 2.29 0.00 57 R 7.85 3.91 0.00 1.76 1.90 0.00 3.21 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 58 V 7.68 3.56 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 0.95 0.00 0.00 59 L 7.91 4.40 0.00 1.83 1.65 0.85 0.74 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 60 Q 8.13 4.01 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 61 L 7.62 4.41 0.00 1.79 1.67 0.91 0.73 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 62 G 8.10 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 63 E 7.97 4.62 0.00 2.01 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 2.17 2.26 0.00 64 K 8.20 4.42 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 65 A 8.18 4.18 1.11 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 0.00 0.00 66 I 8.28 4.02 1.93 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 1.34 0.54 0.94 0.00 0.00 67 T 8.41 4.50 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 1.18 0.00 0.00 68 C 7.75 4.62 0.00 2.96 2.82 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 69 Q 8.66 4.02 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 K 8.04 4.08 0.00 1.77 1.87 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.49 7.81 71 V 7.72 3.94 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 1.01 0.00 0.00 0.93 0.00 0.00 72 L 7.66 3.88 0.00 1.84 1.66 0.78 1.12 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 *74 E 8.06 4.28 0.00 2.12 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 0.00 2.21 2.44 0.00 75 N 8.13 4.55 0.00 2.77 2.88 0.00 0.00 7.01 6.65 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 76 A 7.47 4.28 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 77 K 9.37 4.51 0.00 1.79 1.85 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.56 7.81 78 S 7.62 2.79 0.00 3.64 3.25 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 79 P 0.00 4.21 0.00 2.19 2.04 0.00 3.59 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 80 K 8.44 4.36 0.00 1.77 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 81 V 8.30 4.49 2.30 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 0.88 0.00 0.00 1.22 0.00 0.00 82 A 8.66 4.84 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 83 K 8.07 4.76 0.00 1.84 1.32 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.21 1.38 7.81 84 D 7.92 4.86 0.00 2.75 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 85 C 6.78 4.70 0.00 2.83 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 86 F 8.85 5.39 0.00 2.96 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 87 T 8.96 4.75 4.26 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 1.24 0.00 0.00 88 P 0.00 4.21 0.00 2.14 2.09 0.00 3.61 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 89 L 7.83 3.96 0.00 1.65 1.66 0.89 0.89 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 90 E 8.25 3.90 0.00 2.27 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 0.00 2.35 2.34 0.00 91 V 7.59 2.75 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 0.44 0.00 0.00 0.64 0.00 0.00 92 I 7.37 3.40 1.81 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 1.05 0.36 0.69 0.00 0.00 93 E 8.02 3.82 0.00 2.08 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 2.27 2.35 0.00 94 L 7.91 3.91 0.00 1.16 1.51 0.67 0.89 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 95 I 7.79 3.48 1.61 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 0.87 0.15 -0.04 0.00 0.00 96 K 8.06 3.82 0.00 1.82 2.00 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 97 Q 7.93 4.14 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 98 D 8.52 4.52 0.00 3.07 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 99 Y 8.81 4.44 0.00 3.27 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 0.00 100 E 8.94 4.07 0.00 2.22 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 0.00 2.43 2.62 0.00 101 Y 8.34 4.00 0.00 3.14 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 0.00 102 L 8.19 3.75 0.00 1.65 1.41 0.76 0.26 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 0.00 103 L 8.28 4.11 0.00 1.90 1.95 1.01 1.03 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 0.00 104 A 7.97 3.97 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 0.00 105 E 7.86 3.70 0.00 1.63 1.62 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 1.53 1.70 0.00 106 F 8.39 4.18 0.00 3.12 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 0.00 107 K 8.32 4.01 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.64 7.81 108 K 8.01 4.00 0.00 1.90 1.82 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.58 7.81 109 L 8.12 3.96 0.00 1.83 1.94 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.51 4.31 0.00 2.89 2.96 0.00 0.00 7.26 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 0.00 111 E 8.26 3.94 0.00 2.24 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 2.34 2.57 0.00 112 A 8.13 4.01 1.39 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 0.00 113 A 8.26 3.97 1.50 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 0.00 0.00 114 E 8.58 4.00 0.00 2.02 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 2.34 2.50 0.00 115 K 7.96 4.03 0.00 1.90 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.76 7.81 116 E 7.98 4.28 0.00 1.98 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 2.34 2.47 0.00 117 S 7.66 3.67 0.00 4.01 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 0.00 118 D 8.15 4.72 0.00 2.67 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 0.00 119 T 8.08 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 1.22 0.00 0.00 120 T 7.80 3.86 4.37 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 1.20 0.00 0.00 121 T 8.34 4.03 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 1.36 0.00 0.00 122 A 8.24 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 0.00 123 A 8.33 3.95 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 0.00 124 F 8.33 4.22 0.00 3.11 3.37 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 0.00 125 A 8.27 3.79 1.45 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 0.00 0.00 126 Q 8.42 3.90 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 127 E 8.24 3.91 0.00 1.90 1.90 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 2.29 2.48 0.00 128 N 7.46 3.95 0.00 1.44 1.42 0.00 0.00 6.99 8.47 0.00 0.00 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 I 7.75 3.66 1.95 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 1.50 0.74 0.91 0.00 0.00 130 A 7.92 3.91 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 0.00 131 K 7.69 3.61 0.00 1.54 1.50 0.00 1.30 0.00 0.00 0.99 0.00 0.00 2.75 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.37 1.06 7.81 132 Y 7.89 4.00 0.00 3.06 3.02 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 0.00 0.00 0.00 133 E 8.51 4.11 0.00 2.08 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 2.39 2.51 0.00 134 K 7.84 4.10 0.00 1.81 1.99 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.69 7.81 135 S 7.99 4.34 0.00 3.94 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 0.00 136 L 8.69 4.34 0.00 1.96 1.85 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.09 4.36 0.00 3.43 3.50 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 *139 I 7.72 3.92 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.84 0.00 0.00 140 G 8.43 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 0.00 0.00 0.00 141 A 7.56 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.59 3.87 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 1.04 0.00 0.00 143 L 7.26 4.24 0.00 1.67 1.66 0.90 1.32 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 0.00 144 Q 7.58 4.26 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 145 G 8.11 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 0.00 0.00 0.00 146 A 8.33 4.16 1.25 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 0.00 0.00 147 C 8.43 4.30 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.