NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2082 8.2745 112.9183 60.5879 70.2221 173.5630 4 D 4.7279 8.4388 125.5139 49.7078 41.4714 172.3344 5 P 4.4637 0.0000 0.0000 66.9052 31.7693 175.4742 6 I 3.9000 7.7134 118.9349 64.9135 35.5200 180.0784 7 A 4.2430 8.1512 124.5032 56.0338 18.0870 179.9317 8 D 4.4070 8.0603 121.4488 59.3236 39.8433 181.3233 9 M 4.3147 7.9855 122.7483 60.6078 31.4755 182.4245 10 L 4.3449 8.5107 126.5532 59.9203 40.8965 182.3781 11 T 4.1806 8.2540 116.1214 67.1010 68.5015 181.4959 12 R 4.2229 7.8667 126.4768 62.0245 29.0985 181.2152 13 I 4.0175 7.5785 121.8325 66.2280 35.6181 180.5381 14 R 4.2777 7.9439 125.2997 61.4852 29.1005 180.9117 15 N 4.4976 8.6224 119.8774 57.2642 37.6829 179.3708 16 A 4.2727 8.0863 123.1488 56.5842 18.5559 180.4477 17 T 4.0604 8.3909 115.8776 66.2722 68.3823 179.9141 18 R 4.0820 8.0514 120.9498 60.1046 29.4236 181.5275 19 V 3.7772 7.5499 116.2018 61.7135 32.1451 177.3504 *20 Y 3.4215 7.5054 119.2987 58.4602 33.5463 175.0400 21 K 4.7229 8.4225 127.6451 53.0244 35.1535 178.1789 22 E 4.3793 8.7018 118.3436 61.0217 30.9139 177.8339 23 S 5.1775 7.8490 116.5254 60.2165 66.8201 178.4305 24 T 4.6717 8.1748 113.6736 62.1982 72.4308 172.7332 25 D 4.9458 8.9129 130.3050 53.4854 41.0898 173.6809 26 V 4.6209 8.2316 121.7866 58.9081 36.6824 172.7097 27 P 4.6110 0.0000 0.0000 63.0898 31.0137 176.6895 28 A 4.1624 8.3191 130.1988 52.2483 18.9362 177.6479 29 S 4.5881 8.4911 118.9286 56.4586 66.5050 173.8820 30 R 4.0581 8.8368 127.2158 62.4523 29.4901 180.5811 *31 F 4.3697 8.1781 123.6725 62.0205 37.9235 180.0179 32 K 4.4318 8.1076 124.9753 60.2038 31.6296 182.9369 33 E 4.2418 8.4205 121.8549 61.8930 29.6427 181.9779 34 E 4.2375 8.0644 121.9097 61.6249 29.8405 181.4704 35 I 3.9446 7.4926 122.3001 65.8620 35.3176 180.6407 36 L 4.3211 8.0696 125.6386 59.9499 40.8192 182.1379 37 R 4.3665 8.2927 123.1151 62.1012 29.3093 182.7975 38 I 4.0465 7.9547 123.4438 65.5529 35.6468 180.6974 39 L 4.3932 7.9215 122.9377 57.9790 40.4179 180.1362 40 A 4.9827 7.4413 122.2703 54.6571 19.5505 179.7865 41 R 4.1566 7.9359 120.4527 60.9585 29.5721 182.5768 42 E 4.5858 9.0087 115.3156 61.6110 30.6403 181.1897 43 G 3.6231 8.4457 112.9964 45.4873 0.0000 174.8850 *44 F 4.1395 8.0828 121.8043 59.7505 38.2450 181.7830 45 I 4.7868 7.8906 118.8980 58.4144 39.1498 180.2505 46 K 4.0510 8.6446 124.9004 55.8655 31.8446 176.6346 47 G 4.2437 7.2357 105.0669 44.7781 0.0000 171.3635 *48 Y 5.2414 7.5744 122.2040 56.9638 41.2562 171.7871 49 E 4.8166 8.4266 112.9471 57.9981 34.1181 172.8764 50 R 4.5870 8.7931 126.2559 56.7831 30.7360 176.4263 51 V 4.4812 8.4665 123.9750 59.6685 36.3383 172.2497 52 D 5.2647 8.9533 128.9095 52.1537 40.9384 174.9590 53 V 3.8932 9.3120 126.8962 60.0924 31.3726 174.0534 54 D 4.5982 9.8367 125.3902 53.1890 36.9856 171.7383 55 G 3.9395 8.8342 110.6752 46.1209 0.0000 174.5953 56 K 4.5520 8.2049 127.1594 53.5073 33.5557 180.2655 57 P 4.9170 0.0000 0.0000 62.6677 31.9179 172.1347 *58 Y 5.2040 9.1993 126.1649 55.0420 41.8660 173.4121 59 L 5.0825 8.6558 118.0061 55.4813 40.8065 174.9251 60 R 4.1494 8.1501 124.3370 58.8489 30.8300 179.7714 61 V 4.7750 8.9064 125.3032 59.5578 35.5420 172.0628 *62 Y 4.7492 9.2552 126.9751 56.5543 38.3091 176.1584 63 L 4.5216 8.3177 131.0372 54.3883 41.4758 173.9151 64 K 4.6079 8.7820 130.4537 53.9950 33.2027 172.7737 *65 Y 4.7113 8.2883 122.7336 55.2121 41.0784 175.2505 66 G 3.9470 8.7661 111.1382 45.8009 0.0000 171.8177 67 P 4.7571 0.0000 0.0000 63.4321 31.7215 172.4070 68 R 4.3794 8.5655 116.1279 57.3740 30.5106 172.9004 69 R 4.2185 8.3496 120.0527 57.1068 30.0828 179.4104 70 Q 4.2607 8.1234 116.2855 52.8337 26.1612 174.2799 71 G 3.8151 8.5281 112.0490 43.1375 0.0000 170.3085 72 P 4.3365 0.0000 0.0000 62.9551 29.1135 173.0574 73 D 4.5699 8.0969 121.0831 51.7521 44.9351 173.4444 74 P 4.3762 0.0000 0.0000 62.3066 29.8264 178.7434 75 R 3.4783 8.5770 116.2106 55.9516 25.3867 175.4654 76 P 4.5598 0.0000 0.0000 62.8086 31.9883 174.8433 77 E 4.2091 8.6596 120.1809 57.8414 30.3732 178.4365 78 Q 4.3997 8.9453 127.9728 55.8570 28.7081 173.5532 79 V 4.0326 8.5523 118.5232 63.3708 32.8775 178.6675 80 I 4.2316 7.4365 124.3043 59.1450 33.9655 178.0668 *81 H 4.1712 8.5802 125.0062 56.4538 28.1110 174.4770 *82 H 4.6000 7.4752 116.8735 56.6114 32.9047 179.5406 83 I 4.5750 8.0158 115.1538 61.2613 37.6281 174.7297 84 R 4.8215 8.4126 131.4465 55.2025 34.1226 174.8689 85 R 4.5446 8.6047 118.9376 57.6781 32.0899 174.1671 86 I 3.9388 8.0693 119.3725 61.9705 36.8815 177.3116 87 S 4.2985 8.5711 125.5110 58.7068 62.5293 176.7675 88 K 4.7613 8.4498 128.8928 51.1826 35.8274 170.9543 89 P 4.1423 0.0000 0.0000 64.9170 30.9741 175.9516 90 G 4.2746 9.1492 119.0943 45.6940 0.0000 175.6120 91 R 4.3740 7.3782 123.3782 54.2677 28.0812 178.2565 92 R 4.1130 7.8865 121.9349 56.9055 30.6332 178.5756 93 V 4.4813 8.5198 124.2213 59.7231 34.7303 171.4681 *94 Y 5.1513 8.6266 128.6638 55.5914 38.9689 172.9059 95 V 4.5548 8.3274 118.6879 60.2086 37.0972 175.7059 96 G 4.1788 8.5103 111.6208 45.0301 0.0000 175.9172 97 V 3.5991 8.4134 118.2413 63.9250 31.5244 175.4586 98 K 4.3791 8.0841 120.3479 55.6557 32.0018 180.3746 99 E 4.6390 8.0425 114.8891 56.5422 31.0205 182.3340 100 I 3.6769 7.9047 118.4741 61.4698 35.7555 180.2960 101 P 4.5252 0.0000 0.0000 61.5932 31.5110 173.8286 102 R 4.4724 8.2762 115.5115 56.4249 31.3150 172.0477 103 V 3.8609 8.4024 123.4793 60.1310 32.1274 174.8700 104 R 4.0748 8.4907 118.9344 59.6554 27.5370 175.9672 105 R 3.6289 9.2806 128.2923 56.5704 26.8546 177.1853 106 G 4.3032 8.2613 115.2464 47.3587 0.0000 175.2166 107 L 4.3197 7.9564 120.5296 51.4524 38.2409 179.2771 108 G 4.0125 6.8876 111.8704 45.1875 0.0000 170.3592 109 I 4.6607 7.6134 117.1694 59.1053 40.2776 170.2435 110 A 4.7427 8.6639 129.8683 49.9741 19.5191 175.4302 111 I 3.7880 8.3277 122.5635 62.5492 37.0287 173.9444 112 L 5.0603 9.2013 133.3919 52.3043 43.4550 174.8288 113 S 4.7478 8.6762 128.8471 57.8556 60.4278 170.6021 114 T 4.5678 7.5887 119.6930 60.8744 69.5663 177.0036 115 S 4.5047 8.6023 115.4940 60.9265 62.6898 171.2859 116 K 4.6297 7.2279 120.1676 54.6804 32.2769 181.6540 117 G 3.9747 8.2480 108.9177 45.7454 0.0000 174.1983 118 V 3.7478 8.3055 120.0078 62.7143 31.7265 175.5645 119 L 4.8845 8.6687 132.6679 53.5402 44.9309 172.2848 120 T 4.6623 8.0309 111.7173 62.6255 71.4467 171.4725 121 D 4.4103 8.8875 117.5916 58.6873 40.5746 175.3837 122 R 4.1516 8.1969 123.3350 61.9161 29.2832 181.4619 123 E 4.3633 8.2707 118.5841 60.4523 29.4829 180.5462 124 A 4.4534 7.7732 120.3645 55.7457 18.9834 180.4067 125 R 3.9582 7.8032 121.7343 62.0976 29.2153 181.6411 126 K 4.3128 8.5957 126.3326 60.3316 31.9452 181.4781 127 L 4.4282 7.6153 120.3451 55.9641 41.9274 178.8772 128 G 4.1430 7.7820 108.6563 48.2101 0.0000 174.9361 129 V 4.5016 8.5267 113.4294 58.7437 36.3841 177.1346 130 G 4.2435 8.4486 109.5402 44.4816 0.0000 172.1160 131 G 4.1862 8.1648 110.9755 46.2361 0.0000 171.8905 132 E 4.8140 8.8531 122.4935 55.1855 32.7822 174.3486 133 L 4.7850 8.4861 129.2755 54.6660 38.2036 175.8198 134 I 3.7260 8.8914 128.4496 62.5348 36.5007 176.6105 135 C 5.1169 7.5198 122.0633 58.4074 31.6053 174.4181 136 E 4.9730 8.3256 120.0184 55.9002 31.6268 176.9805 137 V 4.6372 8.1020 126.5080 59.0970 35.1405 173.3185 *138 W 4.1416 8.1804 125.9102 56.9302 29.4940 172.2726 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 T 8.27 4.21 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 4 D 8.44 4.73 0.00 2.65 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 5 P 0.00 4.46 0.00 2.07 2.08 0.00 3.70 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 2.02 1.65 0.00 6 I 7.71 3.90 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 1.57 0.54 0.91 0.00 0.00 7 A 8.15 4.24 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 8 D 8.06 4.41 0.00 2.66 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 9 M 7.99 4.31 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 10 L 8.51 4.34 0.00 1.60 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.25 4.18 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 12 R 7.87 4.22 0.00 1.76 1.98 0.00 3.25 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 13 I 7.58 4.02 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 1.38 1.10 0.91 0.00 0.00 14 R 7.94 4.28 0.00 1.76 1.89 0.00 3.26 0.00 0.00 3.20 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 15 N 8.62 4.50 0.00 2.74 2.89 0.00 0.00 7.10 7.32 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 16 A 8.09 4.27 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 17 T 8.39 4.06 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 18 R 8.05 4.08 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 19 V 7.55 3.78 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 *20 Y 7.51 3.42 0.00 2.53 2.24 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 21 K 8.42 4.72 0.00 1.76 1.59 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.22 7.81 22 E 8.70 4.38 0.00 1.66 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 2.31 1.88 0.00 23 S 7.85 5.18 0.00 3.34 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 24 T 8.17 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 25 D 8.91 4.95 0.00 2.46 2.47 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 26 V 8.23 4.62 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 0.69 0.00 0.00 0.93 0.00 0.00 27 P 0.00 4.61 0.00 1.85 1.91 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 28 A 8.32 4.16 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 29 S 8.49 4.59 0.00 3.62 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 30 R 8.84 4.06 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *31 F 8.18 4.37 0.00 2.28 2.33 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 32 K 8.11 4.43 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 33 E 8.42 4.24 0.00 1.97 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 2.25 2.21 0.00 34 E 8.06 4.24 0.00 1.92 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 2.25 2.21 0.00 35 I 7.49 3.94 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 1.38 0.53 0.91 0.00 0.00 36 L 8.07 4.32 0.00 1.74 1.63 0.92 0.79 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 37 R 8.29 4.37 0.00 1.81 1.97 0.00 3.24 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 38 I 7.95 4.05 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 1.38 0.54 0.91 0.00 0.00 39 L 7.92 4.39 0.00 1.69 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.44 4.98 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 41 R 7.94 4.16 0.00 1.95 1.86 0.00 3.26 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 42 E 9.01 4.59 0.00 2.05 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 2.18 1.93 0.00 43 G 8.45 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 0.00 0.00 0.00 *44 F 8.08 4.14 0.00 2.31 2.24 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 45 I 7.89 4.79 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 1.16 0.66 0.91 0.00 0.00 46 K 8.64 4.05 0.00 1.78 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.26 7.81 47 G 7.24 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 0.00 0.00 0.00 0.00 *48 Y 7.57 5.24 0.00 2.05 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 0.00 0.00 0.00 49 E 8.43 4.82 0.00 1.70 1.67 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 2.11 2.08 0.00 50 R 8.79 4.59 0.00 1.59 1.74 0.00 3.18 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 51 V 8.47 4.48 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 0.65 0.00 0.00 0.93 0.00 0.00 52 D 8.95 5.26 0.00 2.44 2.51 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 53 V 9.31 3.89 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 0.64 0.00 0.00 0.93 0.00 0.00 54 D 9.84 4.60 0.00 2.83 2.62 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 55 G 8.83 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 56 K 8.20 4.55 0.00 1.43 1.70 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.24 7.81 57 P 0.00 4.92 0.00 1.76 1.95 0.00 3.64 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 2.02 1.59 0.00 *58 Y 9.20 5.20 0.00 1.90 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 0.00 0.00 0.00 59 L 8.66 5.08 0.00 1.30 1.44 0.92 0.90 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 60 R 8.15 4.15 0.00 1.49 1.88 0.00 3.17 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 61 V 8.91 4.77 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 0.65 0.00 0.00 0.93 0.00 0.00 *62 Y 9.26 4.75 0.00 1.92 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 63 L 8.32 4.52 0.00 1.41 1.50 0.92 0.77 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 64 K 8.78 4.61 0.00 1.53 1.61 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.00 7.81 *65 Y 8.29 4.71 0.00 2.03 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 0.00 0.00 0.00 66 G 8.77 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 0.00 0.00 0.00 67 P 0.00 4.76 0.00 1.77 2.00 0.00 3.72 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 2.03 1.61 0.00 68 R 8.57 4.38 0.00 1.82 1.73 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 69 R 8.35 4.22 0.00 1.82 1.77 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 70 Q 8.12 4.26 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 71 G 8.53 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 72 P 0.00 4.34 0.00 2.10 1.92 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 73 D 8.10 4.57 0.00 2.63 2.42 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 74 P 0.00 4.38 0.00 2.08 1.22 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 75 R 8.58 3.48 0.00 1.89 2.08 0.00 3.26 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.00 76 P 0.00 4.56 0.00 1.84 1.89 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 77 E 8.66 4.21 0.00 1.60 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 2.24 2.14 0.00 78 Q 8.95 4.40 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 79 V 8.55 4.03 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 0.89 0.00 0.00 0.93 0.00 0.00 80 I 7.44 4.23 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 1.27 0.58 0.91 0.00 0.00 *81 H 8.58 4.17 0.00 2.92 3.00 0.00 7.21 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 H 7.48 4.60 0.00 2.42 2.88 0.00 7.21 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.02 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 1.20 0.85 0.91 0.00 0.00 84 R 8.41 4.82 0.00 1.35 1.79 0.00 3.18 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 85 R 8.60 4.54 0.00 1.55 1.69 0.00 3.21 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 86 I 8.07 3.94 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 1.16 1.17 0.91 0.00 0.00 87 S 8.57 4.30 0.00 3.57 3.72 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 88 K 8.45 4.76 0.00 1.61 1.63 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.23 7.81 89 P 0.00 4.14 0.00 2.07 1.92 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 90 G 9.15 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 0.00 0.00 0.00 0.00 91 R 7.38 4.37 0.00 1.71 1.85 0.00 3.28 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 92 R 7.89 4.11 0.00 1.82 1.77 0.00 3.17 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 1.55 1.20 0.00 93 V 8.52 4.48 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 0.70 0.00 0.00 0.93 0.00 0.00 *94 Y 8.63 5.15 0.00 2.06 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 0.00 0.00 0.00 95 V 8.33 4.55 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 0.66 0.00 0.00 0.93 0.00 0.00 96 G 8.51 4.18 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 0.00 97 V 8.41 3.60 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 0.74 0.00 0.00 0.93 0.00 0.00 98 K 8.08 4.38 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 0.99 7.81 99 E 8.04 4.64 0.00 1.95 1.82 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 2.15 2.08 0.00 100 I 7.90 3.68 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 1.27 1.09 0.91 0.00 0.00 101 P 0.00 4.53 0.00 2.08 1.92 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 102 R 8.28 4.47 0.00 1.76 1.71 0.00 3.25 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 103 V 8.40 3.86 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 0.86 0.00 0.00 0.93 0.00 0.00 104 R 8.49 4.07 0.00 1.82 1.80 0.00 3.37 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 105 R 9.28 3.63 0.00 1.80 1.91 0.00 3.31 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 106 G 8.26 4.30 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 0.00 107 L 7.96 4.32 0.00 1.63 1.52 0.92 0.88 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 0.00 108 G 6.89 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 0.00 109 I 7.61 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 1.16 0.68 0.91 0.00 0.00 110 A 8.66 4.74 1.22 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 0.00 111 I 8.33 3.79 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 1.09 0.70 0.91 0.00 0.00 112 L 9.20 5.06 0.00 1.24 1.54 0.92 0.79 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 0.00 113 S 8.68 4.75 0.00 3.42 3.81 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 0.00 114 T 7.59 4.57 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 0.00 115 S 8.60 4.50 0.00 3.62 3.78 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 0.00 116 K 7.23 4.63 0.00 1.85 1.62 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.21 7.81 117 G 8.25 3.97 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 0.00 118 V 8.31 3.75 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 0.71 0.00 0.00 0.93 0.00 0.00 119 L 8.67 4.88 0.00 1.32 1.57 0.92 0.71 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 0.00 120 T 8.03 4.66 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 0.00 121 D 8.89 4.41 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 0.00 122 R 8.20 4.15 0.00 1.81 1.95 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.25 0.00 123 E 8.27 4.36 0.00 1.96 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 2.32 1.96 0.00 124 A 7.77 4.45 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 0.00 125 R 7.80 3.96 0.00 1.78 1.95 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 126 K 8.60 4.31 0.00 1.80 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 127 L 7.62 4.43 0.00 1.78 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.78 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 0.00 129 V 8.53 4.50 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 0.00 130 G 8.45 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 0.00 0.00 0.00 0.00 131 G 8.16 4.19 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 0.00 132 E 8.85 4.81 0.00 1.65 1.81 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 2.22 1.85 0.00 133 L 8.49 4.79 0.00 1.37 1.61 0.92 0.77 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 0.00 134 I 8.89 3.73 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 1.09 0.53 0.91 0.00 0.00 135 C 7.52 5.12 0.00 2.47 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 0.00 136 E 8.33 4.97 0.00 1.63 1.83 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 2.14 2.10 0.00 137 V 8.10 4.64 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 0.65 0.00 0.00 0.93 0.00 0.00 *138 W 8.18 4.14 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.