NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4718 8.3049 120.3482 55.3437 33.6196 174.5570 2 K 4.5424 7.9586 125.5321 56.3292 35.5623 172.2719 3 T 3.2132 7.9755 116.2286 65.4781 72.9071 172.9252 4 Y 4.5955 8.3034 119.0708 59.6405 42.4596 174.0025 5 V 4.2836 7.6184 120.6746 60.4998 32.9875 173.5456 6 P 4.4491 0.0000 0.0000 62.2237 31.9384 176.4246 7 K 4.3176 8.3286 121.7052 54.8580 33.3009 176.3980 8 Q 3.8209 8.5057 118.2592 56.6776 28.6887 177.6107 9 V 3.9094 8.2177 122.9825 61.7380 32.4944 174.8725 10 E 4.2465 8.6904 128.4332 54.6516 29.5908 174.4596 11 P 4.5541 0.0000 0.0000 62.8220 32.4332 175.3019 12 R 4.8628 8.4916 119.8424 54.7129 32.6864 175.1946 13 W 5.1394 9.1585 124.9889 55.2443 31.5905 175.7067 14 V 4.7158 8.0543 117.8094 60.9227 33.9577 171.9369 15 L 5.3214 8.5757 124.7056 53.4974 45.4435 174.8762 16 I 4.6789 8.5381 124.6577 59.9555 41.9052 173.0458 17 D 5.4848 8.4341 126.7583 52.1622 40.3591 174.3045 18 A 4.4911 8.1955 126.7658 53.3444 19.6050 180.7550 19 E 4.0367 8.7205 120.1888 61.1402 29.6777 179.0756 20 G 3.7063 8.0012 106.5352 46.1015 0.0000 173.2628 21 K 4.4290 9.1589 120.6758 55.6352 34.7778 176.0041 22 T 5.6885 8.4681 118.1609 61.5072 69.3852 174.6834 23 L 3.9590 8.5181 127.7789 57.5200 40.8101 176.3627 24 G 4.3722 9.4503 115.8490 46.6558 0.0000 176.2692 25 R 3.9382 7.7263 119.7079 57.9784 30.4978 178.6649 26 L 4.1091 8.2544 120.1338 57.7234 42.2029 178.2117 27 A 3.9924 8.1966 120.6318 55.8105 18.1706 179.3344 28 T 3.8439 8.0167 107.6947 65.0420 68.5390 176.5587 29 K 3.8788 7.9097 120.4412 59.2566 32.0251 178.9535 30 I 3.6198 7.4784 118.3112 64.4048 37.3492 177.8518 31 A 4.1248 8.3214 121.6419 55.7742 18.0761 179.5625 32 T 3.7430 8.2261 114.3930 67.1162 68.5111 176.7218 33 L 3.9062 7.8767 120.5817 57.3932 41.5178 179.5499 34 L 3.8794 7.8734 119.1067 57.0162 41.6788 178.0639 35 R 4.5823 7.3421 115.8099 56.1182 30.8621 176.0517 36 G 4.2529 9.3194 107.6278 46.1724 0.0000 176.4219 37 K 3.3919 7.5863 122.1777 58.8450 32.1234 178.3192 38 H 4.4106 8.3800 111.7998 56.1844 28.9246 174.6267 39 R 4.5080 8.0467 122.6713 54.0318 31.4077 174.3134 40 P 4.5433 0.0000 0.0000 63.8038 31.1822 176.6868 41 D 4.5526 8.0239 118.7174 55.3720 41.3346 176.3588 42 W 4.4544 7.6549 128.6078 58.2348 31.0868 175.4632 43 T 4.0941 6.7270 120.5209 61.8675 71.6580 172.0387 44 P 3.6547 0.0000 0.0000 63.5531 32.0506 176.2333 45 N 4.8146 7.6882 115.7961 52.3864 37.4377 175.7164 46 V 4.0524 6.8895 116.9696 60.4812 33.7235 174.4312 47 A 3.5054 7.8801 122.2275 53.0461 15.1984 177.3269 48 M 4.7805 7.5464 119.9765 53.4224 30.4935 176.0879 49 G 4.6671 7.5059 106.2537 45.1107 0.0000 172.8148 50 D 4.9781 8.4719 119.5328 53.9683 41.9190 176.4822 51 F 4.0785 8.4692 119.6820 56.2604 40.5102 175.1053 52 V 4.4745 8.6923 124.4974 61.0917 33.8379 174.2349 53 V 4.7864 8.9824 129.2549 61.7046 33.3944 174.5390 54 V 5.5345 8.9723 127.9367 60.5068 33.9109 174.8701 55 V 4.6168 8.5329 126.8698 60.5930 34.0382 174.7162 56 N 4.2126 8.6212 117.8882 54.3308 36.4653 175.3945 57 A 4.3627 7.9062 127.5620 50.8764 18.6643 176.6539 58 D 3.8624 9.5920 112.9317 56.8788 40.9627 174.9059 59 K 3.9815 8.7890 119.8572 58.3608 31.3445 176.2852 60 I 3.8488 9.5077 110.0924 61.9553 37.6965 176.1926 61 R 4.6444 9.7486 125.9981 55.3626 31.8632 175.8161 62 V 4.8590 8.0815 120.9796 60.1700 34.5806 175.6826 63 T 4.1793 8.6498 113.6381 61.2167 70.5870 174.1026 64 G 3.6261 8.1837 108.4092 46.4108 0.0000 171.6071 65 K 4.4320 8.4741 120.8354 54.9288 33.0497 177.7099 66 K 4.6659 8.2209 128.6570 55.6619 33.2301 176.2902 67 L 4.6761 7.8740 118.9714 54.4498 43.2375 176.6581 68 E 3.8376 8.8888 120.2538 57.4105 27.7769 175.5444 69 Q 4.0870 8.3718 117.9626 58.0676 29.4597 176.4638 70 K 4.0088 7.7826 124.1828 56.3160 32.8560 175.2840 71 I 4.3839 7.9644 129.4536 59.9607 38.2832 176.0411 72 Y 4.2306 8.4653 126.2537 58.0920 37.1627 177.1406 73 T 3.8029 8.9244 122.0258 66.7866 69.3194 178.7778 74 R 3.0790 7.9678 113.0785 58.4992 30.6183 176.0146 75 Y 4.3160 10.2469 121.7413 56.6223 37.5012 174.7374 76 S 4.6566 8.4698 120.7862 56.2343 62.7041 173.4021 77 G 3.6607 8.6488 120.6328 46.0716 0.0000 171.8156 78 Y 4.8222 7.4841 126.9461 55.6624 40.8414 173.1886 79 P 4.8711 0.0000 0.0000 60.9511 33.0354 175.7160 80 G 5.0960 7.4247 120.8366 46.2170 0.0000 172.1366 81 G 3.9983 7.5425 110.3830 43.8278 0.0000 174.1719 82 L 4.7344 8.0967 130.3722 57.4524 40.4418 177.8493 83 K 4.4609 6.8229 118.6293 54.1613 31.9293 174.1065 84 K 5.0212 8.5487 126.5896 54.9488 35.1415 175.5562 85 I 4.6797 8.8724 117.7263 58.2164 40.4358 173.0611 86 P 4.7220 0.0000 0.0000 62.4848 32.3662 176.9014 87 L 4.0126 9.3185 125.2778 59.4538 42.2763 179.5559 88 E 3.7817 7.5628 117.6769 59.2307 29.1916 179.7337 89 K 3.8922 8.3204 118.2583 60.1073 32.3518 179.2004 90 M 3.8407 8.2465 118.1720 58.5588 31.5350 178.7460 91 L 4.0490 7.6147 117.6192 57.3471 42.0958 178.6200 92 A 4.1456 7.7600 119.6332 53.8320 18.6651 177.4801 93 T 4.1325 7.8378 111.3242 62.2636 69.2124 175.3530 94 H 4.1336 8.1590 118.0754 56.1583 27.3091 174.9823 95 P 5.4358 0.0000 0.0000 59.7702 30.3055 179.6247 96 E 3.7088 9.0548 110.2602 57.5475 29.8922 177.1048 97 R 3.8395 9.8838 118.0532 59.4808 30.2163 178.8529 98 V 3.7027 7.5331 111.7595 64.4800 31.6114 178.2800 99 L 3.9443 7.8374 119.1120 58.1911 42.1402 178.2723 100 E 4.0102 7.7128 117.4963 60.0329 29.4787 178.8469 101 H 4.1647 8.9182 116.6345 59.1218 28.6424 177.3727 102 A 4.0657 7.8444 120.6792 55.3923 18.5262 179.5387 103 V 3.7097 8.3073 116.9098 65.9768 31.6546 177.9164 104 K 4.0477 8.8222 119.9371 59.6773 31.8116 178.8157 105 G 3.8162 8.1343 103.8300 46.8911 0.0000 174.3042 106 M 4.5638 8.0239 119.2847 54.2143 32.8909 175.4132 107 L 4.6595 7.0674 119.6752 52.1400 43.7987 174.8344 108 P 4.4563 0.0000 0.0000 62.9118 31.7208 177.0309 109 K 4.2794 8.4711 117.3602 57.5428 33.7959 178.0525 110 G 4.0149 7.5112 108.0300 43.7100 0.0000 171.6563 111 P 4.1990 0.0000 0.0000 65.6440 31.7956 177.7906 112 L 4.1669 8.0033 118.6947 58.1011 41.9979 178.6935 113 G 4.4280 8.1222 106.4716 47.5835 0.0000 175.6139 114 R 4.0261 7.6675 119.1777 58.5986 30.3151 178.8952 115 R 4.0433 8.0401 118.7695 59.3845 30.0898 178.6281 116 L 3.8561 7.8315 118.3357 57.6689 41.5609 178.8862 117 F 4.2258 7.8823 118.5742 60.5202 39.5553 176.4709 118 K 4.1425 7.8616 117.2577 58.2639 32.1552 178.1229 119 R 3.7452 7.8482 117.3738 56.0470 29.7609 174.8897 120 L 4.7680 6.8967 120.1327 53.1227 43.5022 175.5649 121 K 4.2150 8.8354 128.5935 54.6349 34.4762 174.5843 122 V 4.7105 7.8429 127.5505 61.2273 33.6301 174.2629 123 Y 4.7726 9.2047 124.8128 55.7788 41.7106 175.7470 124 A 4.4020 8.7021 126.0111 51.6919 15.7399 178.6536 125 G 3.9312 7.9186 109.8516 43.9631 0.0000 169.1389 126 P 4.4231 0.0000 0.0000 63.1465 32.4690 171.7154 127 D 4.1252 8.8144 125.8493 54.9152 40.3872 174.0797 128 H 4.2348 7.9348 121.8999 52.6700 27.9622 172.8343 129 P 4.2058 0.0000 0.0000 63.2960 30.4974 176.0487 130 H 5.6914 7.3216 135.0000 57.4909 32.5031 174.1672 131 Q 4.1711 7.7491 115.2191 53.6223 32.3524 174.8370 132 A 4.2074 8.2522 124.8032 53.4020 19.9935 176.9685 133 Q 4.7107 6.8986 114.0155 54.7034 31.8050 175.2980 134 R 4.5337 8.1728 115.5742 53.4659 29.6991 172.7960 135 P 4.2360 0.0000 0.0000 64.3865 32.1025 174.8795 136 E 4.5912 8.9186 126.4807 56.1852 29.9735 175.7408 137 K 4.7413 8.8911 128.3302 54.5917 35.0549 175.0755 138 L 4.5644 8.3821 126.3806 53.4894 44.2069 177.2787 *139 E 4.1515 8.7757 118.3619 56.1657 30.3597 172.3317 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 4.47 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 K 7.96 4.54 0.00 1.50 1.52 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.54 7.81 3 T 7.98 3.21 4.05 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 1.34 0.00 0.00 4 Y 8.30 4.60 0.00 2.90 2.99 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 5 V 7.62 4.28 2.13 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 0.82 0.00 0.00 0.96 0.00 0.00 6 P 0.00 4.45 0.00 2.06 1.96 0.00 3.70 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 2.04 2.11 0.00 7 K 8.33 4.32 0.00 1.75 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 8 Q 8.51 3.82 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 9 V 8.22 3.91 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 0.81 0.00 0.00 0.99 0.00 0.00 10 E 8.69 4.25 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 11 P 0.00 4.55 0.00 2.54 2.29 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 12 R 8.49 4.86 0.00 1.99 1.90 0.00 3.24 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 13 W 9.16 5.14 0.00 3.20 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.05 4.72 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 0.76 0.00 0.00 1.04 0.00 0.00 15 L 8.58 5.32 0.00 1.86 1.59 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.54 4.68 1.88 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 1.13 1.05 0.94 0.00 0.00 17 D 8.43 5.48 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.20 4.49 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 8.72 4.04 0.00 2.08 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 2.55 2.38 0.00 20 G 8.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 4.43 0.00 1.84 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.56 7.81 22 T 8.47 5.69 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 1.26 0.00 0.00 23 L 8.52 3.96 0.00 1.68 1.72 1.01 0.63 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 24 G 9.45 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 0.00 0.00 0.00 0.00 25 R 7.73 3.94 0.00 1.96 2.01 0.00 3.37 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 26 L 8.25 4.11 0.00 1.76 1.75 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.20 3.99 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 28 T 8.02 3.84 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 1.25 0.00 0.00 29 K 7.91 3.88 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.51 1.72 7.81 30 I 7.48 3.62 1.99 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 1.43 0.59 0.86 0.00 0.00 31 A 8.32 4.12 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 32 T 8.23 3.74 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 33 L 7.88 3.91 0.00 1.92 1.62 0.66 0.52 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 34 L 7.87 3.88 0.00 1.85 1.68 0.80 0.75 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 7.34 4.58 0.00 1.71 2.12 0.00 3.23 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 36 G 9.32 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 0.00 0.00 0.00 0.00 37 K 7.59 3.39 0.00 1.53 1.61 0.00 1.14 0.00 0.00 1.41 0.00 0.00 2.56 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.80 0.21 7.81 38 H 8.38 4.41 0.00 3.27 3.36 0.00 5.48 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.05 4.51 0.00 1.68 2.02 0.00 3.11 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 40 P 0.00 4.54 0.00 2.26 2.17 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 41 D 8.02 4.55 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.45 0.00 3.45 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 43 T 6.73 4.09 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 1.04 0.00 0.00 44 P 0.00 3.65 0.00 2.14 2.26 0.00 3.49 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 45 N 7.69 4.81 0.00 2.77 2.84 0.00 0.00 5.83 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 6.89 4.05 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 0.59 0.00 0.00 0.86 0.00 0.00 47 A 7.88 3.51 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 48 M 7.55 4.78 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 49 G 7.51 4.67 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 0.00 0.00 0.00 50 D 8.47 4.98 0.00 2.56 2.58 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 51 F 8.47 4.08 0.00 1.51 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 52 V 8.69 4.47 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 0.97 0.00 0.00 0.85 0.00 0.00 53 V 8.98 4.79 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 1.15 0.00 0.00 1.31 0.00 0.00 54 V 8.97 5.53 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 55 V 8.53 4.62 2.15 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 0.95 0.00 0.00 1.03 0.00 0.00 56 N 8.62 4.21 0.00 3.06 2.81 0.00 0.00 6.87 7.35 0.00 0.00 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 7.91 4.36 1.21 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 0.00 0.00 58 D 9.59 3.86 0.00 2.92 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 59 K 8.79 3.98 0.00 2.05 2.10 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.37 7.81 60 I 9.51 3.85 1.90 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 1.30 0.83 0.96 0.00 0.00 61 R 9.75 4.64 0.00 1.75 1.88 0.00 3.24 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 62 V 8.08 4.86 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 0.79 0.00 0.00 0.94 0.00 0.00 63 T 8.65 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 64 G 8.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.47 4.43 0.00 1.70 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.37 7.81 66 K 8.22 4.67 0.00 1.79 1.67 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.59 7.81 67 L 7.87 4.68 0.00 1.70 1.76 0.92 1.05 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 68 E 8.89 3.84 0.00 2.05 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 2.24 2.52 0.00 69 Q 8.37 4.09 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 70 K 7.78 4.01 0.00 1.79 1.65 0.00 1.25 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.27 1.02 7.81 71 I 7.96 4.38 1.83 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 1.49 0.96 0.92 0.00 0.00 72 Y 8.47 4.23 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.92 3.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 74 R 7.97 3.08 0.00 2.22 1.99 0.00 3.21 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 75 Y 10.25 4.32 0.00 3.00 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 76 S 8.47 4.66 0.00 3.85 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 77 G 8.65 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 78 Y 7.48 4.82 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.87 0.00 2.31 2.56 0.00 4.19 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 80 G 7.42 5.10 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 81 G 7.54 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 0.00 0.00 0.00 82 L 8.10 4.73 0.00 1.77 1.76 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 K 6.82 4.46 0.00 1.75 1.92 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.54 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.39 7.81 84 K 8.55 5.02 0.00 1.78 1.79 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.40 7.81 85 I 8.87 4.68 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.86 0.00 0.00 86 P 0.00 4.72 0.00 2.22 2.23 0.00 3.75 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 2.09 1.97 0.00 87 L 9.32 4.01 0.00 1.88 1.94 1.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.56 3.78 0.00 2.11 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 0.00 2.35 2.43 0.00 89 K 8.32 3.89 0.00 2.03 1.86 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 90 M 8.25 3.84 0.00 1.98 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 91 L 7.61 4.05 0.00 1.72 1.73 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.76 4.15 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 93 T 7.84 4.13 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 1.20 0.00 0.00 94 H 8.16 4.13 0.00 3.45 3.72 0.00 5.58 0.00 0.00 0.00 0.00 7.02 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 5.44 0.00 2.25 1.99 0.00 4.03 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 96 E 9.05 3.71 0.00 2.20 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 0.00 2.23 2.20 0.00 97 R 9.88 3.84 0.00 1.69 1.68 0.00 3.27 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 98 V 7.53 3.70 2.13 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 0.85 0.00 0.00 0.93 0.00 0.00 99 L 7.84 3.94 0.00 1.67 1.64 0.91 0.96 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 7.71 4.01 0.00 2.23 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 0.00 2.24 2.49 0.00 101 H 8.92 4.16 0.00 3.25 3.42 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.84 4.07 1.43 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 0.00 0.00 0.00 103 V 8.31 3.71 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 1.04 0.00 0.00 1.01 0.00 0.00 104 K 8.82 4.05 0.00 1.60 1.82 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.18 0.64 7.81 105 G 8.13 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 0.00 106 M 8.02 4.56 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.55 0.00 107 L 7.07 4.66 0.00 1.79 1.62 1.10 0.87 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 0.00 108 P 0.00 4.46 0.00 2.25 2.22 0.00 3.72 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 2.12 2.04 0.00 109 K 8.47 4.28 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.42 7.81 110 G 7.51 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 0.00 111 P 0.00 4.20 0.00 2.02 2.12 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 112 L 8.00 4.17 0.00 1.73 1.66 0.90 0.93 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 0.00 113 G 8.12 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 0.00 0.00 0.00 0.00 114 R 7.67 4.03 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 115 R 8.04 4.04 0.00 2.01 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 116 L 7.83 3.86 0.00 1.85 1.66 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.88 4.23 0.00 2.98 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.86 4.14 0.00 1.99 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.75 7.81 119 R 7.85 3.75 0.00 1.13 0.66 0.00 2.32 0.00 0.00 2.80 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 120 L 6.90 4.77 0.00 1.37 1.18 0.62 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.84 4.21 0.00 1.84 1.75 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.68 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.23 1.46 7.81 122 V 7.84 4.71 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 0.81 0.00 0.00 0.80 0.00 0.00 123 Y 9.20 4.77 0.00 3.06 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.40 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 0.00 125 G 7.92 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 0.00 0.00 0.00 126 P 0.00 4.42 0.00 2.19 2.09 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 127 D 8.81 4.13 0.00 2.77 2.65 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 0.00 128 H 7.93 4.23 0.00 3.02 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.93 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 4.21 0.00 2.12 2.09 0.00 3.55 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 130 H 7.32 5.69 0.00 3.22 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.75 4.17 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 132 A 8.25 4.21 1.04 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 0.00 0.00 133 Q 6.90 4.71 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.45 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 134 R 8.17 4.53 0.00 2.03 1.98 0.00 3.24 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 135 P 0.00 4.24 0.00 2.18 2.34 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 136 E 8.92 4.59 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 137 K 8.89 4.74 0.00 1.79 1.65 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.39 7.81 138 L 8.38 4.56 0.00 1.64 1.54 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.78 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.