NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2931 8.3049 120.3405 55.3709 33.2745 175.3219 2 K 3.9200 7.9637 121.7362 55.0313 34.2890 175.4774 3 T 4.0674 8.4493 125.3185 61.7470 68.1820 176.2457 4 Y 4.3853 5.9524 126.9172 57.2217 37.1901 177.2843 5 V 4.0801 7.5381 119.4325 61.2804 32.9249 173.5311 6 P 4.8261 0.0000 0.0000 61.6935 33.9973 174.1861 7 K 4.6801 8.1895 115.4837 55.6044 36.1488 174.6983 8 Q 4.1140 8.0355 121.0205 56.3193 27.6265 179.6505 9 V 4.1318 8.1076 130.4608 62.4077 32.0723 174.8510 10 E 4.7376 8.4703 118.1961 53.3099 32.7087 173.5751 11 P 4.6637 0.0000 0.0000 63.6580 31.6763 175.7139 12 R 4.7077 8.3983 116.8537 56.0185 29.9513 174.9051 13 W 4.4824 8.7863 116.8628 56.6191 29.4535 176.2457 14 V 4.5566 8.0908 131.3813 62.4316 31.1020 176.0789 15 L 4.8443 7.7903 116.9220 54.7666 44.1618 173.2906 16 I 4.7948 7.7416 126.6269 59.6699 40.2160 174.3119 17 D 5.1693 8.6304 125.5979 53.9683 41.9400 177.3090 18 A 4.4793 7.9037 119.9758 51.1822 17.6791 180.0272 19 E 3.9059 9.9176 120.8845 60.6272 29.4794 178.9693 20 G 3.7777 8.1013 106.3196 46.7045 0.0000 173.1749 21 K 4.5234 7.8118 119.5318 54.2543 34.3274 176.3566 22 T 3.7990 8.3736 117.7304 63.7622 68.4909 174.4488 23 L 4.3790 7.7304 126.9979 56.4740 39.9332 175.1867 24 G 3.9933 8.2423 109.2584 46.3464 0.0000 175.9917 25 R 4.5457 7.7669 120.8653 58.1687 30.5354 178.4017 26 L 4.0337 8.3139 119.7445 57.8937 42.7142 178.2772 27 A 4.0009 8.4930 119.9501 57.2544 18.2398 179.7040 28 T 3.4129 9.3646 111.0432 66.0944 68.3771 175.9601 29 K 3.7935 8.1957 119.7709 59.9840 32.5596 179.4288 30 I 3.6057 7.6633 118.8777 63.7660 37.0280 177.0698 31 A 4.2961 8.2432 122.1109 53.9204 19.1606 179.1872 32 T 3.6449 7.5261 113.2554 66.8188 68.6656 176.0790 33 L 3.9610 8.1182 120.7040 57.1011 41.4419 179.0563 34 L 3.9635 7.1452 118.7366 57.6630 42.2859 176.8573 35 R 4.2971 8.2705 114.4240 54.4383 31.7289 175.1149 36 G 3.8990 7.9667 106.7948 43.6261 0.0000 173.2902 37 K 3.7871 8.1251 123.9048 55.6463 35.4364 176.1562 38 H 4.4521 8.1347 112.6040 57.4253 29.5461 175.5366 39 R 3.9399 6.7829 127.5762 54.0406 29.2693 173.2341 40 P 4.9023 0.0000 0.0000 63.3366 28.9531 175.1145 41 D 4.5777 8.2143 122.9167 55.2294 44.5476 176.4586 42 W 4.7918 7.6674 126.5806 56.6767 30.3273 176.3577 43 T 4.2083 8.4486 122.8989 67.5257 68.9733 175.1075 44 P 2.9700 0.0000 0.0000 64.4582 32.8572 177.7522 45 N 4.4863 7.6576 109.8772 53.8566 38.4646 174.7583 46 V 3.9672 9.0202 120.9840 61.7167 29.6618 176.6478 47 A 5.3169 8.9421 130.6776 52.7424 20.3304 177.4962 48 M 4.4705 7.8090 117.4085 54.8473 32.5500 175.6978 49 G 4.4718 8.1984 115.9919 45.2463 0.0000 172.1382 50 D 4.5762 7.5832 121.8291 54.4061 41.3175 177.4450 51 F 3.5660 9.1858 119.7526 59.1495 38.0937 177.1453 52 V 2.9482 6.7611 117.2085 61.4354 29.2584 173.5577 53 V 4.6185 7.8537 130.4464 60.9377 32.6184 174.2411 54 V 4.7323 8.0017 126.7182 62.2189 32.8555 174.4954 55 V 4.8701 8.0331 125.1560 61.3829 35.2648 174.3497 56 N 4.1099 8.5900 118.9593 54.6547 37.7689 174.7357 57 A 4.6692 7.7851 135.0000 49.1133 17.4070 180.0146 58 D 3.8553 9.7845 119.3036 57.2532 39.9698 175.2624 59 K 3.9498 8.0179 118.7162 58.0986 31.1861 176.0767 60 I 4.1489 9.2122 117.4920 62.1306 35.8304 174.9169 61 R 3.9140 8.2546 125.0211 55.4114 30.9575 177.4767 62 V 4.2336 7.8135 116.8298 60.1369 34.0523 176.6518 63 T 3.0988 7.5712 114.3252 65.0758 68.2399 172.2286 64 G 3.6155 7.8428 104.3546 45.0697 0.0000 178.0033 65 K 4.5974 8.5637 118.2178 54.7578 33.6885 176.5425 66 K 4.4043 7.6779 124.4296 55.3731 32.2430 178.0712 67 L 4.7046 7.0804 118.5825 54.1828 45.3124 177.7547 68 E 3.8607 9.0263 120.9288 57.1875 28.1077 174.9122 69 Q 4.3755 8.1976 116.6751 56.9052 30.6640 175.9675 70 K 4.3670 7.9030 120.2402 56.0284 33.1778 175.8247 71 I 5.3394 8.5199 127.5253 59.7765 41.0623 174.5464 72 Y 4.5345 9.8176 124.0335 56.8799 39.6380 177.0107 73 T 3.7639 8.8640 121.7744 66.7348 69.0452 177.0680 74 R 3.3546 8.0872 114.0406 57.8994 30.0094 176.2132 75 Y 4.7376 10.0667 112.4285 56.1707 41.3949 174.5031 76 S 4.3524 8.4730 117.3469 55.3852 62.1725 173.6149 77 G 3.7014 7.6138 111.8244 46.7319 0.0000 172.1752 78 Y 5.6664 7.1985 130.2426 57.0825 35.9499 172.1084 79 P 4.4696 0.0000 0.0000 65.0568 31.8228 175.7881 80 G 4.1182 7.5961 106.8179 45.4939 0.0000 173.7805 81 G 3.8747 7.7327 109.9802 44.3111 0.0000 173.8377 82 L 4.7047 8.3658 122.2958 53.7176 41.8184 175.3769 83 K 3.6168 7.9739 118.2649 56.8833 28.9285 174.2148 84 K 4.7073 8.2034 121.4674 55.7062 33.6165 176.6418 85 I 4.6972 8.9894 123.7353 58.9474 40.2233 173.0372 86 P 4.6633 0.0000 0.0000 62.3658 32.6563 176.6191 87 L 3.5236 8.8783 125.1326 59.1531 41.9852 179.0018 88 E 3.7253 7.5557 116.0715 59.8058 29.3888 179.2637 89 K 3.7499 7.7942 119.3203 60.1693 32.0666 178.6314 90 M 3.8529 7.5792 117.5574 58.7106 31.9349 178.3175 91 L 4.0030 7.6488 117.1789 57.8098 41.9054 178.8381 92 A 4.1128 7.8961 119.8853 54.4984 19.6103 178.0670 93 T 3.9678 7.8141 113.4927 61.4627 65.7101 171.7676 94 H 3.9216 8.0836 117.7658 54.8587 28.2309 173.7098 95 P 4.3925 0.0000 0.0000 65.0683 32.2349 178.4310 96 E 3.8639 8.6050 117.9735 59.9979 28.4788 179.5601 97 R 4.0020 8.1299 119.0970 59.8228 30.0122 178.1833 98 V 3.4518 8.0587 114.5249 66.4006 31.8603 177.3668 99 L 4.1196 7.9898 117.4569 58.7827 41.7474 178.8752 100 E 3.7807 8.1983 116.7917 60.9426 29.2252 178.6341 101 H 4.7436 9.8580 113.6915 56.6063 28.7670 175.7874 102 A 4.7786 8.3132 122.2909 51.6687 19.8030 177.3607 103 V 4.2747 8.2760 117.7535 64.3207 33.7083 177.6993 104 K 4.1504 8.7527 120.6879 59.7051 31.9275 178.4310 105 G 3.9189 8.1325 102.1873 46.7823 0.0000 173.2686 106 M 4.3301 8.5676 120.8872 56.4532 33.3740 176.6030 107 L 4.4516 7.2072 116.2761 54.4525 42.8211 175.8234 108 P 4.9782 0.0000 0.0000 61.6690 29.8602 179.4834 109 K 4.4372 8.2396 106.2664 53.8881 32.4563 173.6181 110 G 3.9416 7.6392 114.0434 43.4836 0.0000 169.4036 111 P 4.4842 0.0000 0.0000 65.7650 31.3490 177.6850 112 L 4.0034 8.2994 118.3995 58.6076 41.6986 178.8212 113 G 3.7193 8.1126 104.2185 48.1858 0.0000 174.7701 114 R 3.8477 8.6343 121.3424 59.4256 30.2650 177.9961 115 R 4.0095 8.8486 117.7260 59.5511 30.0415 178.7959 116 L 3.7853 8.5214 118.1324 58.2509 41.5173 179.3600 117 F 3.7647 8.5692 120.7241 61.6399 39.2832 177.3999 118 K 4.1699 8.6643 117.9810 59.0788 31.8979 178.5142 119 R 3.3648 7.6713 118.0667 58.9356 30.0985 176.6367 120 L 3.8641 7.3894 118.4326 55.7333 42.4691 175.9125 121 K 4.2614 8.0496 125.7013 54.7239 34.7201 175.8334 122 V 4.7713 7.6856 124.2103 60.7683 34.5122 173.8239 123 Y 4.8316 8.0592 120.5805 57.1230 43.0008 173.2470 124 A 4.4099 8.7809 121.0703 51.4600 20.5626 175.5206 125 G 3.9786 9.0713 109.9176 46.6716 0.0000 172.5460 126 P 4.4632 0.0000 0.0000 61.8359 32.6224 173.5863 127 D 4.4364 7.6043 114.9125 53.2741 42.1730 176.9339 128 H 4.5710 7.6529 121.3219 53.3567 28.6196 171.5182 129 P 4.2635 0.0000 0.0000 62.8069 29.8050 176.1250 130 H 5.5801 7.8780 133.4593 56.9381 28.3610 175.3771 131 Q 3.8102 8.1187 123.7736 56.0942 29.5665 176.7150 132 A 4.3512 7.8454 128.5470 49.3158 19.5724 173.9089 133 Q 3.8742 7.0483 118.1902 54.4044 30.3516 173.4777 134 R 4.7586 7.8667 126.5042 54.0261 29.6857 174.7785 135 P 4.2926 0.0000 0.0000 63.8774 32.4278 176.6187 136 E 4.4705 8.7670 126.5943 56.2177 30.4059 175.5078 137 K 4.5688 8.9327 127.8196 54.6796 35.5348 176.5369 138 L 4.3237 8.2954 123.4394 53.6343 40.2456 177.4273 *139 E 4.1515 8.0460 117.3557 55.9101 30.3597 176.5613 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 M 8.30 4.29 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 K 7.96 3.92 0.00 1.41 1.01 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.47 7.81 3 T 8.45 4.07 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 1.17 0.00 0.00 4 Y 5.95 4.39 0.00 2.90 3.04 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 0.00 0.00 0.00 5 V 7.54 4.08 2.17 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 0.84 0.00 0.00 0.96 0.00 0.00 6 P 0.00 4.83 0.00 2.26 2.13 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 7 K 8.19 4.68 0.00 1.80 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.47 7.81 8 Q 8.04 4.11 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 9 V 8.11 4.13 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 0.76 0.00 0.00 1.02 0.00 0.00 10 E 8.47 4.74 0.00 1.92 1.78 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 2.20 2.38 0.00 11 P 0.00 4.66 0.00 2.47 2.21 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 12 R 8.40 4.71 0.00 1.83 2.15 0.00 3.51 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 13 W 8.79 4.48 0.00 3.22 3.31 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 14 V 8.09 4.56 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 1.18 0.00 0.00 0.99 0.00 0.00 15 L 7.79 4.84 0.00 1.68 1.60 0.95 1.12 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 16 I 7.74 4.79 1.87 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 1.30 1.58 0.91 0.00 0.00 17 D 8.63 5.17 0.00 2.75 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 18 A 7.90 4.48 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 19 E 9.92 3.91 0.00 2.22 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 0.00 2.66 2.72 0.00 20 G 8.10 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 0.00 0.00 0.00 21 K 7.81 4.52 0.00 1.80 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.50 7.81 22 T 8.37 3.80 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 23 L 7.73 4.38 0.00 1.88 1.72 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.24 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 25 R 7.77 4.55 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 26 L 8.31 4.03 0.00 1.71 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.49 4.00 1.36 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 0.00 0.00 0.00 28 T 9.36 3.41 4.43 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 0.00 0.00 0.00 1.18 0.00 0.00 29 K 8.20 3.79 0.00 1.89 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 I 7.66 3.61 1.89 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 1.41 1.38 0.81 0.00 0.00 31 A 8.24 4.30 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 32 T 7.53 3.64 4.12 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 1.08 0.00 0.00 33 L 8.12 3.96 0.00 1.66 1.56 0.85 0.34 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 34 L 7.15 3.96 0.00 1.82 1.61 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.27 4.30 0.00 1.78 1.85 0.00 2.96 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.00 36 G 7.97 3.90 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 0.00 0.00 0.00 37 K 8.13 3.79 0.00 1.24 1.55 0.00 0.74 0.00 0.00 1.32 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 1.20 7.81 38 H 8.13 4.45 0.00 3.26 3.30 0.00 5.58 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 6.78 3.94 0.00 1.69 1.50 0.00 3.29 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 40 P 0.00 4.90 0.00 2.24 2.11 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 41 D 8.21 4.58 0.00 2.70 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 42 W 7.67 4.79 0.00 3.11 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 43 T 8.45 4.21 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 1.16 0.00 0.00 44 P 0.00 2.97 0.00 1.71 1.64 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.28 0.00 45 N 7.66 4.49 0.00 2.74 2.82 0.00 0.00 5.96 7.68 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 46 V 9.02 3.97 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 0.90 0.00 0.00 1.03 0.00 0.00 47 A 8.94 5.32 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 48 M 7.81 4.47 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.75 0.00 49 G 8.20 4.47 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 0.00 50 D 7.58 4.58 0.00 2.90 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 51 F 9.19 3.57 0.00 1.51 1.56 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 52 V 6.76 2.95 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 0.83 0.00 0.00 0.86 0.00 0.00 53 V 7.85 4.62 2.27 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 1.33 0.00 0.00 1.27 0.00 0.00 54 V 8.00 4.73 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 1.04 0.00 0.00 0.94 0.00 0.00 55 V 8.03 4.87 2.19 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 1.02 0.00 0.00 1.18 0.00 0.00 56 N 8.59 4.11 0.00 2.90 3.23 0.00 0.00 7.14 7.85 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 57 A 7.79 4.67 1.06 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 0.00 0.00 58 D 9.78 3.86 0.00 2.91 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 59 K 8.02 3.95 0.00 2.22 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 9.21 4.15 1.89 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 1.32 0.91 0.98 0.00 0.00 61 R 8.25 3.91 0.00 1.98 1.85 0.00 3.25 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 62 V 7.81 4.23 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 0.73 0.00 0.00 0.96 0.00 0.00 63 T 7.57 3.10 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 64 G 7.84 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 65 K 8.56 4.60 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 66 K 7.68 4.40 0.00 1.81 1.83 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.44 7.81 67 L 7.08 4.70 0.00 1.64 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.03 3.86 0.00 2.12 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 2.21 2.48 0.00 69 Q 8.20 4.38 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 70 K 7.90 4.37 0.00 1.96 1.78 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.75 1.98 7.81 71 I 8.52 5.34 1.93 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 1.57 1.10 0.98 0.00 0.00 72 Y 9.82 4.53 0.00 2.79 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 73 T 8.86 3.76 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 1.22 0.00 0.00 74 R 8.09 3.35 0.00 2.05 1.83 0.00 3.07 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 75 Y 10.07 4.74 0.00 3.02 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 76 S 8.47 4.35 0.00 3.79 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 77 G 7.61 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 78 Y 7.20 5.67 0.00 3.16 3.21 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 0.00 79 P 0.00 4.47 0.00 2.10 2.05 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 80 G 7.60 4.12 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 0.00 0.00 0.00 81 G 7.73 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 82 L 8.37 4.70 0.00 1.82 1.79 0.93 0.59 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 83 K 7.97 3.62 0.00 1.93 1.87 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.41 7.81 84 K 8.20 4.71 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.48 7.81 85 I 8.99 4.70 2.03 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 1.33 1.27 0.74 0.00 0.00 86 P 0.00 4.66 0.00 2.09 2.17 0.00 3.68 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 2.02 1.94 0.00 87 L 8.88 3.52 0.00 1.71 1.93 0.90 0.89 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 88 E 7.56 3.73 0.00 2.06 1.94 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 2.33 2.36 0.00 89 K 7.79 3.75 0.00 1.93 1.88 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.62 7.81 90 M 7.58 3.85 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.29 0.00 91 L 7.65 4.00 0.00 1.71 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.90 4.11 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 93 T 7.81 3.97 4.13 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 1.21 0.00 0.00 94 H 8.08 3.92 0.00 3.58 3.46 0.00 5.58 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.39 0.00 2.25 2.34 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 96 E 8.60 3.86 0.00 2.15 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 0.00 2.52 2.42 0.00 97 R 8.13 4.00 0.00 1.96 2.28 0.00 3.24 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 98 V 8.06 3.45 2.19 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 0.91 0.00 0.00 0.96 0.00 0.00 99 L 7.99 4.12 0.00 1.83 1.67 0.89 0.89 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 0.00 100 E 8.20 3.78 0.00 2.18 2.17 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 2.23 2.48 0.00 101 H 9.86 4.74 0.00 3.43 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.31 4.78 1.36 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 0.00 0.00 0.00 103 V 8.28 4.27 2.27 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 0.91 0.00 0.00 0.92 0.00 0.00 104 K 8.75 4.15 0.00 1.69 1.75 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 0.87 7.81 105 G 8.13 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 0.00 106 M 8.57 4.33 0.00 1.95 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 107 L 7.21 4.45 0.00 1.80 1.75 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.98 0.00 2.23 1.24 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 109 K 8.24 4.44 0.00 1.80 1.79 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.19 7.81 110 G 7.64 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 0.00 111 P 0.00 4.48 0.00 2.18 2.11 0.00 3.63 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 2.11 2.19 0.00 112 L 8.30 4.00 0.00 1.78 1.66 1.04 1.25 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 0.00 113 G 8.11 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 0.00 0.00 0.00 114 R 8.63 3.85 0.00 1.73 2.15 0.00 3.27 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 115 R 8.85 4.01 0.00 2.21 1.92 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 116 L 8.52 3.79 0.00 1.80 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.57 3.76 0.00 2.95 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 0.00 118 K 8.66 4.17 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.80 7.81 119 R 7.67 3.36 0.00 1.52 1.08 0.00 2.21 0.00 0.00 2.48 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 120 L 7.39 3.86 0.00 1.33 1.32 0.59 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.05 4.26 0.00 1.84 1.67 0.00 1.59 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.54 7.81 122 V 7.69 4.77 1.84 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 1.11 0.00 0.00 0.82 0.00 0.00 123 Y 8.06 4.83 0.00 2.97 2.88 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 0.00 124 A 8.78 4.41 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 0.00 125 G 9.07 3.98 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 0.00 0.00 0.00 126 P 0.00 4.46 0.00 2.21 2.16 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 127 D 7.60 4.44 0.00 2.68 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 0.00 128 H 7.65 4.57 0.00 3.46 3.51 0.00 5.48 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 0.00 129 P 0.00 4.26 0.00 2.14 2.08 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 130 H 7.88 5.58 0.00 3.47 3.52 0.00 5.52 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.12 3.81 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 132 A 7.85 4.35 1.01 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 0.00 133 Q 7.05 3.87 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.42 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 134 R 7.87 4.76 0.00 1.81 1.79 0.00 3.02 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 135 P 0.00 4.29 0.00 2.17 2.31 0.00 3.86 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 2.26 2.03 0.00 136 E 8.77 4.47 0.00 2.01 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 2.30 2.49 0.00 137 K 8.93 4.57 0.00 1.73 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 138 L 8.30 4.32 0.00 1.66 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.05 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.