NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7918 8.2833 118.1139 52.6562 40.5015 176.2011 2 F 4.0455 8.2068 119.2546 60.0347 39.1752 175.9745 3 N 4.5791 8.5795 117.6058 55.4446 40.0140 174.6396 4 R 4.5285 9.1023 118.0972 57.0111 30.7243 175.7141 5 F 4.7757 8.1951 116.0984 57.3796 40.0137 175.6668 6 T 4.0770 8.6329 114.7348 61.1229 69.6508 175.4043 7 Q 3.9494 8.6128 122.5078 59.4478 28.9443 178.5386 8 R 3.9060 8.0006 118.3316 59.1892 30.1557 178.7031 9 A 4.1099 8.3769 120.7580 55.1781 18.3676 179.7462 10 K 3.7030 8.6028 117.4310 59.5856 32.1341 179.5406 11 K 3.9089 8.4855 119.9341 59.1015 32.0637 178.6781 12 A 4.1701 8.2120 121.3795 55.3217 18.3248 179.7156 13 I 3.7708 7.7890 118.2207 64.4950 37.1446 178.1608 14 D 4.3334 8.2922 120.1541 57.7096 40.7297 179.1962 15 L 4.0212 8.4883 119.2356 57.4745 41.4702 179.4538 16 A 4.1364 8.1581 120.9104 55.3500 18.3136 179.6775 17 F 3.7772 8.4502 116.2520 60.6341 38.9368 177.6157 18 E 3.9697 8.5423 119.0129 59.2252 29.5016 178.9587 19 S 4.1553 8.8425 116.7802 60.9247 62.9519 176.4344 20 A 3.7748 8.0074 123.3885 54.9538 18.1021 179.2949 21 K 3.7571 8.1453 118.4303 59.9350 32.3732 178.9131 22 S 4.3105 8.2181 114.3043 61.2797 62.7184 175.5397 23 L 4.4031 7.8807 120.1936 54.0747 41.3448 177.8129 24 G 4.0947 7.6566 106.4929 47.1324 0.0000 172.8698 25 H 4.8452 8.2871 117.1924 54.2159 29.4181 175.5791 26 N 4.6010 8.7551 121.7180 55.3584 39.7549 174.8795 27 I 4.7831 7.4453 118.3981 59.2243 40.7639 175.4997 28 V 3.6060 8.8037 128.0044 62.1819 32.1872 175.7442 29 G 4.6894 8.9170 116.3703 44.2792 0.0000 173.3666 30 S 4.3191 8.7296 114.1744 61.4296 62.4765 176.3434 31 E 3.9217 8.0603 120.7897 59.5526 29.3570 178.7401 32 H 4.2368 7.9785 116.7206 58.4837 28.7741 177.5605 33 I 3.7208 7.7997 121.7862 64.2224 36.9798 178.0531 34 L 3.8784 8.1120 121.3234 58.2088 41.8274 178.8408 35 L 4.0921 8.1024 120.2882 58.0482 42.1348 179.1253 36 G 3.6316 8.5064 106.1304 47.8201 0.0000 175.6412 37 L 4.0473 8.0076 120.7658 57.4643 41.9603 179.1264 38 L 4.1181 8.0594 120.2942 58.1752 41.8706 179.1503 39 R 4.0770 8.2079 117.0729 58.5962 30.0471 178.2165 40 E 3.9564 7.9366 118.2650 57.0889 29.5868 177.5181 41 E 4.1941 7.8665 122.6709 57.4312 28.9723 175.4369 42 E 4.2166 8.1115 115.3503 58.0409 30.4590 177.6747 43 G 3.9201 8.6330 105.9462 43.6826 0.0000 174.4420 44 I 3.6742 8.3548 120.9876 64.4120 36.9649 178.5126 45 A 3.9089 8.0553 120.9677 55.1390 18.1671 179.4418 46 A 3.9181 7.9687 118.7243 55.3644 18.5035 179.8339 47 K 3.9135 8.0035 116.8723 59.5566 32.2188 179.8526 48 V 3.5976 8.1590 118.9019 65.9778 31.4954 178.1080 49 L 3.9564 8.1271 118.9689 57.8509 41.3739 179.6816 50 S 4.4862 8.3671 116.7824 61.1120 62.5609 176.7560 51 K 3.9821 7.8920 120.0369 59.2494 31.8032 178.6758 52 V 4.2366 7.4742 109.6971 61.1089 31.7164 176.9401 53 G 3.9388 8.1536 107.1995 45.0483 0.0000 174.1927 54 F 4.1444 8.5481 119.8002 57.1209 39.8809 174.7892 55 T 4.8129 8.2511 114.5293 59.2897 72.9034 174.9706 56 E 4.0290 8.7504 120.3744 59.6553 29.6002 179.1009 57 A 3.9562 8.0289 121.2492 54.9501 18.4833 178.8002 58 Y 3.8944 7.9905 117.9063 60.7471 38.8572 178.1098 59 L 3.6091 8.0966 121.2200 57.9280 42.2640 178.3735 60 E 3.9390 8.4063 119.6277 59.2906 29.5595 178.9539 61 G 3.5360 8.0357 105.7462 47.6737 0.0000 175.5827 62 K 3.7086 7.7298 121.3588 58.9619 32.2102 178.5811 63 I 3.7664 7.4989 119.3788 64.6026 37.2965 178.2697 64 V 3.9615 7.8329 118.8025 65.8710 31.0183 178.0480 65 D 4.5261 7.7327 114.5255 55.1186 40.4987 177.1646 *67 E 4.0848 8.1877 119.1446 54.8041 31.3514 176.9845 68 G 3.9718 8.3179 108.4535 44.2862 0.0000 172.5416 69 K 4.7695 8.2911 116.5110 55.1581 35.3688 176.3914 70 G 4.1166 8.7396 110.5447 44.3939 0.0000 172.1825 71 E 4.4021 8.5436 120.3332 55.4513 30.3764 176.5416 72 E 4.2702 8.7799 123.6345 57.1122 30.3235 177.3311 73 I 4.4058 7.7576 122.3286 59.6915 39.7969 173.8324 *76 D 4.3678 8.3899 119.5650 54.9806 41.8261 175.4749 77 I 4.6468 8.3217 126.8623 60.4833 38.7738 175.3658 78 V 4.8138 8.1008 117.4220 59.3085 36.3572 174.9077 79 L 4.6049 8.6049 122.3545 54.5408 42.4245 177.4625 80 S 4.3034 8.8780 117.8018 57.7240 64.1599 173.5176 81 P 4.2519 0.0000 0.0000 65.9798 31.0743 179.0187 82 R 3.9601 7.9582 116.8852 59.3777 30.1381 178.5103 83 S 4.2148 8.3471 115.2999 61.5678 62.7550 176.8176 84 K 4.1510 8.2242 121.1523 59.5246 31.7686 179.4891 85 Q 4.1712 8.1021 118.4422 58.8753 28.5424 178.7055 86 I 3.7580 8.3543 121.1952 64.5552 37.0862 178.4120 87 L 4.2099 8.3924 120.0721 57.8130 41.2032 179.3938 88 E 4.0401 8.2307 117.6878 59.6638 29.5777 179.1349 89 L 4.1572 8.2479 117.6799 57.9491 41.9262 179.4296 90 S 4.7630 8.7593 115.7425 61.4812 62.7324 177.6200 91 G 3.4325 7.7165 106.0385 45.2445 0.0000 175.3179 *93 F 4.5925 8.0827 121.0992 57.1469 41.1496 177.4339 94 A 4.1269 8.1287 122.6228 54.7514 18.4586 179.3926 95 N 4.3117 8.4483 113.4312 56.4540 38.8182 177.8372 96 K 3.9765 7.9809 116.0914 59.1934 32.2571 177.9920 97 L 4.1833 8.2695 116.6109 54.5176 42.4909 176.3618 98 K 3.8026 7.4883 117.6157 57.7685 29.5904 175.1708 99 T 4.6662 7.9646 109.4732 59.4238 71.8568 175.7280 100 N 4.0605 8.6904 121.2683 55.9301 38.6596 174.7298 101 Y 5.0549 7.1503 112.3269 55.9755 42.2093 175.4890 102 I 3.7493 8.8223 123.1836 60.6325 38.3485 175.9253 103 G 4.5175 8.4823 114.7080 44.3867 0.0000 173.7660 104 T 4.0609 8.6664 109.7999 64.8520 68.3290 175.9806 105 E 3.8934 8.1788 119.8359 59.7244 29.4753 178.8442 106 H 4.0175 8.0999 116.5770 58.4355 28.8193 177.7395 107 I 4.3362 7.5969 123.2891 63.6916 36.9296 178.2149 108 L 3.8971 7.9823 121.2472 58.1247 41.8528 178.9940 109 L 3.6781 7.8200 118.7393 57.4929 41.3006 179.3253 110 A 4.2400 7.8874 120.7202 55.2302 18.2898 179.6124 111 I 3.6576 7.7490 118.2417 64.7027 36.9957 178.6694 112 I 3.6974 7.4308 119.0719 64.4692 37.0124 177.9675 113 Q 4.1906 8.2692 119.5399 59.0116 28.9779 177.4674 114 E 4.1046 8.1304 119.6716 59.3312 29.8009 176.6687 115 G 4.2231 8.2827 104.7853 45.0612 0.0000 173.7767 116 E 4.5544 7.8569 114.8738 55.6597 30.9677 176.8580 117 G 3.9733 7.8245 106.7366 43.8413 0.0000 173.9275 118 I 3.7325 8.3385 119.3903 64.4247 36.9294 178.1354 119 A 4.0113 8.1376 121.5030 55.5014 18.1007 179.5205 120 N 4.3477 8.1278 114.3162 56.3270 38.6959 177.6989 121 K 4.0986 8.0950 120.0729 59.4759 32.1361 179.5344 122 I 3.9203 8.1338 120.2943 64.2941 37.0297 178.3970 123 L 4.3067 8.2973 120.0195 57.9535 41.3821 179.4385 124 N 4.3696 8.6681 116.6373 56.6069 38.3887 176.5698 125 Y 4.1506 8.3923 119.6638 61.0456 38.9219 177.8642 126 A 4.2756 8.2058 118.8386 52.8798 18.7941 178.1059 127 G 3.9685 8.2297 105.7768 44.8922 0.0000 173.8292 128 V 3.8503 7.7730 120.1669 62.1254 32.3325 175.4393 129 N 4.6714 8.6469 125.4229 52.8006 40.3453 175.0689 130 D 4.4179 8.8524 127.9451 57.7819 40.9203 179.2767 131 R 3.9208 8.0453 117.6664 59.5976 30.1891 178.8985 132 T 3.8458 8.3340 115.5738 66.7107 68.4683 176.3958 133 L 3.9262 8.0628 121.8217 57.9902 42.1097 178.8251 134 A 3.9168 8.0582 120.7974 55.0338 18.2408 179.3590 135 Q 3.8435 8.2828 118.1999 59.4159 28.9714 178.3308 136 L 3.9537 7.7438 118.5031 58.2538 41.7125 179.4047 137 T 3.9593 7.6706 114.6058 66.8129 68.5494 176.5244 138 I 3.8324 7.5549 113.7824 63.3882 38.8912 176.8970 139 D 4.6519 7.9579 121.9257 54.2872 37.0347 176.6309 *142 G 3.7367 7.7300 111.5596 45.8375 0.0000 171.4172 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 N 8.28 4.79 0.00 3.06 2.98 0.00 0.00 7.00 7.25 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 2 F 8.21 4.05 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.58 4.58 0.00 2.74 2.94 0.00 0.00 6.86 7.65 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 4 R 9.10 4.53 0.00 1.96 1.89 0.00 3.12 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 5 F 8.20 4.78 0.00 3.27 3.07 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 6 T 8.63 4.08 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 1.32 0.00 0.00 7 Q 8.61 3.95 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 8 R 8.00 3.91 0.00 1.92 2.06 0.00 3.20 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 9 A 8.38 4.11 1.66 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 10 K 8.60 3.70 0.00 1.88 1.72 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.20 1.63 7.81 11 K 8.49 3.91 0.00 1.77 1.86 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 12 A 8.21 4.17 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 13 I 7.79 3.77 1.80 0.00 0.00 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 1.78 1.03 1.02 0.00 0.00 14 D 8.29 4.33 0.00 2.79 2.67 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 15 L 8.49 4.02 0.00 1.81 1.74 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.16 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 3.78 0.00 3.29 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 18 E 8.54 3.97 0.00 2.20 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 0.00 2.31 2.36 0.00 19 S 8.84 4.16 0.00 4.07 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 20 A 8.01 3.77 1.10 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 21 K 8.15 3.76 0.00 1.85 1.99 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.58 7.81 22 S 8.22 4.31 0.00 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.88 4.40 0.00 1.37 1.32 0.88 0.79 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 24 G 7.66 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.29 4.85 0.00 3.09 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.76 4.60 0.00 2.64 2.85 0.00 0.00 6.90 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 27 I 7.45 4.78 1.84 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 1.21 0.86 0.95 0.00 0.00 28 V 8.80 3.61 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 0.70 0.00 0.00 -0.20 0.00 0.00 29 G 8.92 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 4.32 0.00 4.07 4.16 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 31 E 8.06 3.92 0.00 2.12 2.20 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 2.01 2.29 0.00 32 H 7.98 4.24 0.00 3.26 3.49 0.00 5.63 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 33 I 7.80 3.72 2.05 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 1.46 0.89 0.97 0.00 0.00 34 L 8.11 3.88 0.00 1.80 1.80 0.76 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 35 L 8.10 4.09 0.00 1.81 1.81 0.95 0.85 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 36 G 8.51 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 37 L 8.01 4.05 0.00 1.78 1.73 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.06 4.12 0.00 1.76 1.83 0.98 0.92 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 39 R 8.21 4.08 0.00 1.88 1.99 0.00 3.23 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.78 0.00 40 E 7.94 3.96 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.73 0.00 41 E 7.87 4.19 0.00 2.19 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 0.00 2.25 2.28 0.00 42 E 8.11 4.22 0.00 2.09 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 2.28 2.46 0.00 43 G 8.63 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 44 I 8.35 3.67 1.85 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 1.56 0.68 0.92 0.00 0.00 45 A 8.06 3.91 1.34 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 0.00 0.00 0.00 46 A 7.97 3.92 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 47 K 8.00 3.91 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.59 7.81 48 V 8.16 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 49 L 8.13 3.96 0.00 1.66 1.54 0.78 0.62 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 50 S 8.37 4.49 0.00 4.05 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 51 K 7.89 3.98 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.70 7.81 52 V 7.47 4.24 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 0.81 0.00 0.00 1.19 0.00 0.00 53 G 8.15 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 54 F 8.55 4.14 0.00 3.31 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 T 8.25 4.81 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 1.24 0.00 0.00 56 E 8.75 4.03 0.00 2.25 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 2.39 2.40 0.00 57 A 8.03 3.96 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 58 Y 7.99 3.89 0.00 3.11 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 59 L 8.10 3.61 0.00 2.12 1.73 1.03 0.83 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 60 E 8.41 3.94 0.00 2.04 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 2.26 2.30 0.00 61 G 8.04 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.73 3.71 0.00 0.81 1.44 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.28 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.18 1.29 7.81 63 I 7.50 3.77 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.97 0.00 0.00 64 V 7.83 3.96 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 1.10 0.00 0.00 0.90 0.00 0.00 65 D 7.73 4.53 0.00 2.76 2.63 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 *67 E 8.19 4.08 0.00 2.04 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 2.18 2.41 0.00 68 G 8.32 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 69 K 8.29 4.77 0.00 1.81 1.71 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.41 7.81 70 G 8.74 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 71 E 8.54 4.40 0.00 1.99 1.86 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 2.28 2.34 0.00 72 E 8.78 4.27 0.00 1.99 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 2.58 2.34 0.00 73 I 7.76 4.41 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.92 0.00 0.00 *76 D 8.39 4.37 0.00 2.68 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 77 I 8.32 4.65 2.07 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 1.35 0.74 0.81 0.00 0.00 78 V 8.10 4.81 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 0.77 0.00 0.00 0.95 0.00 0.00 79 L 8.60 4.60 0.00 1.60 1.63 1.09 0.94 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 80 S 8.88 4.30 0.00 3.88 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 81 P 0.00 4.25 0.00 2.18 2.16 0.00 3.60 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 2.12 2.16 0.00 82 R 7.96 3.96 0.00 1.89 1.93 0.00 3.20 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 83 S 8.35 4.21 0.00 4.14 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 84 K 8.22 4.15 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 85 Q 8.10 4.17 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 86 I 8.35 3.76 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.99 0.00 0.00 87 L 8.39 4.21 0.00 1.75 1.94 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.23 4.04 0.00 2.15 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 2.36 2.61 0.00 89 L 8.25 4.16 0.00 1.88 1.95 1.02 0.93 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 90 S 8.76 4.76 0.00 4.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.72 3.43 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 *93 F 8.08 4.59 0.00 3.34 3.18 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 94 A 8.13 4.13 1.27 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 95 N 8.45 4.31 0.00 2.73 2.84 0.00 0.00 7.05 6.81 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 96 K 7.98 3.98 0.00 1.68 1.83 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.32 7.81 97 L 8.27 4.18 0.00 1.79 1.77 0.99 1.08 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 98 K 7.49 3.80 0.00 1.88 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 99 T 7.96 4.67 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 1.27 0.00 0.00 100 N 8.69 4.06 0.00 1.96 1.47 0.00 0.00 6.76 7.46 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 0.00 101 Y 7.15 5.05 0.00 2.84 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 0.00 102 I 8.82 3.75 0.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 0.51 0.00 0.00 103 G 8.48 4.52 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 0.00 0.00 0.00 104 T 8.67 4.06 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 1.30 0.00 0.00 105 E 8.18 3.89 0.00 2.06 2.20 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 2.10 2.20 0.00 106 H 8.10 4.02 0.00 3.36 3.59 0.00 5.81 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 0.00 107 I 7.60 4.34 2.05 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.61 1.01 0.00 0.00 108 L 7.98 3.90 0.00 1.70 1.70 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.82 3.68 0.00 0.90 0.26 0.54 0.60 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 0.00 110 A 7.89 4.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 3.66 2.01 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 1.54 1.35 0.90 0.00 0.00 112 I 7.43 3.70 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.92 0.00 0.00 113 Q 8.27 4.19 0.00 2.46 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 114 E 8.13 4.10 0.00 2.10 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 2.36 2.41 0.00 115 G 8.28 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 0.00 0.00 0.00 0.00 116 E 7.86 4.55 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 117 G 7.82 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 I 8.34 3.73 2.02 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 1.57 0.81 0.91 0.00 0.00 119 A 8.14 4.01 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 0.00 120 N 8.13 4.35 0.00 3.01 2.95 0.00 0.00 7.13 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 0.00 121 K 8.09 4.10 0.00 2.07 2.01 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.65 7.81 122 I 8.13 3.92 2.13 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 1.52 1.04 1.22 0.00 0.00 123 L 8.30 4.31 0.00 1.89 1.79 0.88 0.37 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 0.00 124 N 8.67 4.37 0.00 2.80 2.91 0.00 0.00 6.66 7.21 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 0.00 125 Y 8.39 4.15 0.00 3.30 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 0.00 126 A 8.21 4.28 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 0.00 127 G 8.23 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 0.00 128 V 7.77 3.85 2.32 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 0.81 0.00 0.00 1.22 0.00 0.00 129 N 8.65 4.67 0.00 2.81 2.69 0.00 0.00 7.20 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.85 4.42 0.00 2.74 2.73 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 0.00 0.00 0.00 0.00 131 R 8.05 3.92 0.00 1.97 1.98 0.00 3.32 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 132 T 8.33 3.85 4.42 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 1.22 0.00 0.00 133 L 8.06 3.93 0.00 1.87 1.78 0.87 0.82 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 0.00 134 A 8.06 3.92 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 0.00 135 Q 8.28 3.84 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 136 L 7.74 3.95 0.00 1.79 1.72 0.93 0.80 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 0.00 137 T 7.67 3.96 4.32 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 1.11 0.00 0.00 138 I 7.55 3.83 1.86 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 1.74 0.51 0.93 0.00 0.00 139 D 7.96 4.65 0.00 2.90 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 *142 G 7.73 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.