NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.2784 8.2531 123.5802 52.1276 19.7009 179.1224 14 G 3.7162 7.6008 111.9538 43.3744 0.0000 169.8501 15 I 4.3712 7.8430 124.6340 59.8258 40.3320 174.0256 16 G 4.1846 8.3579 112.2274 43.9806 0.0000 172.8858 17 S 5.0318 8.2861 116.8064 56.3006 66.5158 173.0708 18 W 5.8578 8.0149 118.5699 55.3025 31.1611 173.9628 19 V 4.3543 9.0705 121.5894 61.0211 34.5051 173.8565 20 L 5.1106 8.7088 129.1777 53.9322 43.5666 175.6040 21 H 4.4962 8.8429 124.6614 55.1218 30.5778 176.0237 *23 E 4.1662 8.6467 118.5446 56.6596 31.0262 176.8079 24 S 4.0849 8.1574 111.6852 60.3178 62.5412 175.1251 25 G 3.9606 9.1151 107.8595 44.9345 0.0000 172.6308 26 R 4.2868 7.6737 121.1135 56.0301 31.4320 174.5182 27 L 5.1896 8.3066 128.5385 53.4845 43.8689 175.0445 28 E 4.8748 9.6866 126.2821 54.4948 31.9942 175.0253 29 W 5.6980 8.7098 123.1930 54.6657 32.5082 175.4381 30 S 4.3197 9.3922 119.0488 58.2829 62.9085 174.8449 31 Q 4.1077 8.9953 124.3881 59.3445 28.7754 178.3251 32 A 3.9802 7.9657 121.4839 55.1943 18.2967 179.8238 33 V 3.2621 7.4418 116.0694 66.3547 31.4694 177.6269 34 H 4.1817 8.2031 115.3705 59.4547 28.7404 176.9867 35 D 4.4173 8.3227 120.2329 57.8291 40.4125 179.3723 36 I 3.8066 7.6220 119.2252 63.9833 37.2511 177.6785 37 F 4.2883 8.6163 116.2423 56.6695 39.1133 175.8877 38 G 3.9478 7.4268 105.2653 46.7791 0.0000 173.5850 39 T 4.4929 8.0584 113.6979 59.9434 69.6493 173.1513 40 D 4.8164 8.3058 122.9115 51.3511 40.2384 176.5976 41 S 3.7285 8.8292 119.5644 61.3470 62.4200 175.4856 42 A 4.1616 8.0410 120.8357 55.7519 18.2498 178.8731 43 T 4.0798 7.8101 110.6653 65.9986 69.2898 175.6252 44 F 4.3430 8.7379 124.5234 58.3186 39.7945 175.0255 45 D 4.0343 7.2860 125.3329 53.8489 41.4903 176.3247 46 A 3.5699 5.8000 121.8194 52.1071 16.5816 176.1939 47 T 5.1336 6.2326 112.9654 58.7942 73.5723 174.1829 48 E 3.9606 8.7795 122.9434 59.6282 29.5094 178.5808 49 D 4.5487 8.2191 116.1353 57.5627 41.6382 177.6620 50 A 4.1393 8.0704 121.1483 55.3095 18.3496 178.8999 51 Y 4.1680 8.0973 118.1031 60.9665 38.7465 178.2999 52 F 3.8064 8.2516 118.0419 59.6824 38.7588 177.1024 53 Q 4.1901 7.9989 116.7134 57.5267 28.7720 176.7523 54 R 4.4094 7.5490 117.2582 56.2968 30.9979 176.6749 55 V 3.7818 7.0537 119.2160 61.9015 32.2846 175.0408 56 H 3.9850 8.9275 125.8651 56.2466 30.0768 173.6529 57 P 4.2749 0.0000 0.0000 66.0306 31.2795 177.6145 58 D 4.6398 8.4233 114.1268 55.2651 41.0745 176.7151 59 D 4.9312 8.1639 119.0396 54.4196 42.7575 178.3983 60 R 4.1467 7.6768 118.6179 58.9990 30.1579 178.6888 61 A 3.8713 7.9547 120.0867 55.1452 18.5692 178.9951 62 R 3.8469 8.1066 116.6327 59.9306 29.9382 178.2921 63 V 3.7024 7.8906 117.4694 66.3446 31.5663 177.9943 64 R 4.1246 8.1590 117.5768 59.7193 29.8539 179.3012 65 R 4.0623 7.9698 117.2304 59.0370 29.9834 179.0134 66 E 4.0731 8.3544 118.6817 59.2335 29.4973 178.8222 67 L 4.0488 8.2126 119.1712 58.2331 41.7675 179.1777 68 D 4.4283 8.2684 118.1952 57.8657 40.8933 179.4356 69 R 4.1132 8.5111 118.4274 59.1928 29.7613 178.2238 70 H 4.5237 7.8892 113.9953 56.8350 29.2979 177.0465 71 V 4.0214 7.5997 119.3130 64.4197 31.9719 176.4688 72 L 4.5797 8.1861 115.3856 54.3728 42.6677 176.9820 73 G 4.4251 7.6840 107.0223 44.1309 0.0000 172.7453 74 D 4.6287 8.5308 119.9380 53.7972 41.6718 176.4061 75 R 4.5064 8.2439 125.3552 53.0905 30.9358 172.6056 76 P 5.0382 0.0000 0.0000 62.1085 32.0379 175.5875 77 F 5.0502 7.8940 117.3956 55.2572 41.7071 173.3687 78 D 5.1837 8.7436 119.4581 53.6007 42.7587 176.1609 79 V 4.5598 8.8662 120.7225 61.5368 35.0793 173.6507 80 E 5.1844 8.9445 127.3608 55.1702 31.3059 174.7279 81 Y 4.9203 8.0893 120.5705 56.1414 41.8418 173.8640 82 R 4.9257 8.6625 119.1503 55.7668 31.8116 175.9563 83 I 4.6708 8.9696 122.4719 59.5852 40.9364 174.9948 84 V 4.7511 8.1938 124.6328 61.0639 32.6749 175.7936 85 R 4.1807 9.4426 128.6765 55.4261 30.5742 176.5153 86 P 4.2386 0.0000 0.0000 65.5215 31.4219 177.0846 87 D 4.6044 8.0846 115.8025 53.2253 39.3272 177.2899 88 G 3.9151 8.3928 108.3895 45.4010 0.0000 173.5095 89 Q 4.3038 8.7920 122.6529 55.3608 30.4739 174.4270 90 V 4.8207 8.3375 126.1751 61.5596 33.0818 174.9330 91 R 4.7345 9.1042 126.6431 54.3874 34.2370 174.3141 92 E 4.7309 8.7674 122.3556 55.2862 31.1507 175.2721 93 L 4.9428 8.8153 124.8157 52.6800 45.2060 175.0832 94 L 4.8823 8.3686 123.8550 53.2329 44.6092 174.4783 95 E 4.9307 9.3940 127.8002 54.4136 32.2182 174.2248 96 R 4.6890 8.8991 128.4071 55.0715 31.9037 174.4937 97 N 4.8941 8.5049 124.0408 51.5531 41.6159 173.4397 98 H 4.7736 8.7410 119.1769 53.6824 32.5813 172.4980 99 I 4.7616 8.9405 122.1638 59.6550 39.7560 175.4444 100 Q 4.6442 8.8629 127.6107 54.5449 30.2637 175.0032 101 R 4.7555 8.4901 124.7681 55.4465 32.3860 175.4932 102 Q 4.5236 8.3720 119.3801 54.1336 31.2145 176.3884 103 A 4.0223 8.8414 121.1328 56.0075 18.2818 178.9796 104 S 4.1445 8.2493 108.5653 61.4435 62.5893 175.6588 105 G 4.0617 8.1092 106.2041 44.7096 0.0000 172.9368 106 Q 4.2641 7.9344 122.0864 54.5296 29.8769 175.2302 107 V 3.9570 8.3685 125.2819 63.4467 32.1349 174.7195 108 D 4.8205 8.5640 127.0055 56.3933 42.4372 176.0918 109 H 4.7246 7.7082 109.7728 54.9106 31.1018 173.1526 110 L 5.2828 8.8499 120.6610 53.4407 43.4321 175.7521 111 W 5.2625 8.8399 118.6603 55.3305 32.1227 175.2068 112 G 4.2867 7.6647 105.6259 46.3953 0.0000 172.2323 113 T 4.9474 7.7348 115.1092 61.7885 72.6010 173.6191 114 V 5.0626 8.1687 121.6570 60.2432 34.5831 174.2399 115 I 4.6509 8.7850 116.3982 59.3046 41.2905 173.9732 116 D 5.1599 8.2911 122.5368 52.2910 43.7476 175.2119 *118 T 4.2639 8.0999 115.5802 63.6155 69.2754 173.6683 119 E 4.7109 8.4213 124.3923 55.6024 32.5769 174.5547 120 H 4.4309 8.9471 120.8093 56.1754 28.9048 175.3161 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 13 A 8.25 4.28 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 14 G 7.60 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 15 I 7.84 4.37 1.86 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 1.33 0.64 0.91 0.00 0.00 16 G 8.36 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 17 S 8.29 5.03 0.00 3.75 3.69 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 18 W 8.01 5.86 0.00 3.59 2.92 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 19 V 9.07 4.35 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 0.69 0.00 0.00 0.84 0.00 0.00 20 L 8.71 5.11 0.00 1.88 1.77 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.84 4.50 0.00 3.15 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 E 8.65 4.17 0.00 1.97 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 2.20 2.32 0.00 24 S 8.16 4.08 0.00 3.87 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 25 G 9.12 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 0.00 0.00 0.00 26 R 7.67 4.29 0.00 1.88 1.79 0.00 3.09 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 27 L 8.31 5.19 0.00 1.61 1.34 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.69 4.87 0.00 2.02 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 2.48 0.00 29 W 8.71 5.70 0.00 3.07 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 30 S 9.39 4.32 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.00 4.11 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.86 0.00 32 A 7.97 3.98 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 33 V 7.44 3.26 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 0.75 0.00 0.00 34 H 8.20 4.18 0.00 3.46 3.65 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.32 4.42 0.00 2.94 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 36 I 7.62 3.81 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.60 0.00 0.00 37 F 8.62 4.29 0.00 2.95 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.43 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 39 T 8.06 4.49 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 40 D 8.31 4.82 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.83 3.73 0.00 3.74 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 42 A 8.04 4.16 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 43 T 7.81 4.08 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 1.24 0.00 0.00 44 F 8.74 4.34 0.00 3.09 2.98 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 45 D 7.29 4.03 0.00 2.13 2.37 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 46 A 5.80 3.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 6.23 5.13 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 1.10 0.00 0.00 48 E 8.78 3.96 0.00 2.13 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 2.81 2.46 0.00 49 D 8.22 4.55 0.00 2.76 2.72 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 50 A 8.07 4.14 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 51 Y 8.10 4.17 0.00 3.10 3.22 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 52 F 8.25 3.81 0.00 3.35 2.98 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 53 Q 8.00 4.19 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 54 R 7.55 4.41 0.00 2.21 2.30 0.00 3.49 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 55 V 7.05 3.78 2.25 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 0.76 0.00 0.00 0.31 0.00 0.00 56 H 8.93 3.98 0.00 3.19 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.27 0.00 2.22 2.09 0.00 3.22 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 2.03 2.09 0.00 58 D 8.42 4.64 0.00 2.62 2.71 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 59 D 8.16 4.93 0.00 2.85 2.69 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 60 R 7.68 4.15 0.00 1.93 2.05 0.00 3.16 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 61 A 7.95 3.87 1.31 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 0.00 0.00 62 R 8.11 3.85 0.00 1.92 2.18 0.00 3.36 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 63 V 7.89 3.70 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 1.26 0.00 0.00 1.07 0.00 0.00 64 R 8.16 4.12 0.00 2.09 1.99 0.00 2.93 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 65 R 7.97 4.06 0.00 2.13 2.02 0.00 3.14 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 66 E 8.35 4.07 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 67 L 8.21 4.05 0.00 2.13 1.85 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.27 4.43 0.00 3.03 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 69 R 8.51 4.11 0.00 2.08 1.96 0.00 3.12 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 70 H 7.89 4.52 0.00 3.26 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.60 4.02 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 0.90 0.00 0.00 1.03 0.00 0.00 72 L 8.19 4.58 0.00 1.64 1.71 0.97 0.97 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 73 G 7.68 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 74 D 8.53 4.63 0.00 2.95 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 75 R 8.24 4.51 0.00 1.83 1.87 0.00 3.34 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 76 P 0.00 5.04 0.00 1.81 1.56 0.00 3.66 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 77 F 7.89 5.05 0.00 3.09 3.01 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 78 D 8.74 5.18 0.00 2.61 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 79 V 8.87 4.56 2.26 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 1.14 0.00 0.00 1.15 0.00 0.00 80 E 8.94 5.18 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 81 Y 8.09 4.92 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 4.93 0.00 1.77 1.92 0.00 3.16 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 1.59 1.66 0.00 83 I 8.97 4.67 1.89 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.09 0.95 0.00 0.00 84 V 8.19 4.75 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 0.82 0.00 0.00 0.95 0.00 0.00 85 R 9.44 4.18 0.00 2.10 1.84 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 86 P 0.00 4.24 0.00 2.04 2.13 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 87 D 8.08 4.60 0.00 2.79 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 88 G 8.39 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 89 Q 8.79 4.30 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 90 V 8.34 4.82 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 0.94 0.00 0.00 91 R 9.10 4.73 0.00 1.66 1.72 0.00 3.37 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 92 E 8.77 4.73 0.00 1.89 1.80 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 2.24 2.25 0.00 93 L 8.82 4.94 0.00 0.73 1.29 0.82 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.37 4.88 0.00 1.69 1.43 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.39 4.93 0.00 2.11 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 0.00 2.17 2.34 0.00 96 R 8.90 4.69 0.00 1.84 1.70 0.00 2.89 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 97 N 8.50 4.89 0.00 1.44 1.98 0.00 0.00 6.35 7.70 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 98 H 8.74 4.77 0.00 1.40 1.31 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.94 4.76 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.98 0.00 0.00 100 Q 8.86 4.64 0.00 2.41 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.08 2.31 0.00 101 R 8.49 4.76 0.00 1.78 1.92 0.00 3.29 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 102 Q 8.37 4.52 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 103 A 8.84 4.02 1.31 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 0.00 0.00 104 S 8.25 4.14 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.11 4.06 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 0.00 106 Q 7.93 4.26 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 107 V 8.37 3.96 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 0.89 0.00 0.00 0.97 0.00 0.00 108 D 8.56 4.82 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 H 7.71 4.72 0.00 3.26 3.38 0.00 5.49 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.85 5.28 0.00 1.62 1.65 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.84 5.26 0.00 3.39 3.32 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 0.00 112 G 7.66 4.29 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 0.00 113 T 7.73 4.95 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 1.20 0.00 0.00 114 V 8.17 5.06 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 0.74 0.00 0.00 0.92 0.00 0.00 115 I 8.79 4.65 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.89 0.00 0.00 116 D 8.29 5.16 0.00 2.66 2.59 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 *118 T 8.10 4.26 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 1.19 0.00 0.00 119 E 8.42 4.71 0.00 1.88 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 2.20 2.31 0.00 120 H 8.95 4.43 0.00 3.12 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.