NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2573 8.2993 119.9965 56.6982 33.7942 174.5868 5 R 4.5024 8.1701 118.2721 53.1016 32.4287 173.5247 6 L 4.2152 8.0050 118.1831 53.6407 43.0658 176.7473 7 P 4.5032 0.0000 0.0000 62.1977 32.0204 176.2814 8 L 4.1399 8.1034 119.1492 55.0705 42.0154 177.4299 9 K 4.4371 8.1433 122.2575 54.5262 34.6587 174.0334 10 P 4.5528 0.0000 0.0000 62.6123 32.1974 176.0224 11 V 4.4996 8.0760 112.7231 59.4992 35.1088 174.7204 12 L 4.7860 8.4581 124.7311 53.3053 44.1264 175.2832 13 R 5.0873 8.3237 123.5264 54.8120 33.8103 173.7803 14 I 4.6694 8.8550 124.8386 59.5349 40.1194 174.5771 15 D 4.7941 8.8791 127.1808 54.3280 41.7437 176.9694 16 F 4.6054 9.4798 123.6541 54.7693 38.6690 173.1771 17 P 4.6281 0.0000 0.0000 61.7968 32.2144 175.0024 18 P 4.4518 0.0000 0.0000 64.8763 31.9177 177.3107 19 G 3.8865 7.9761 105.0711 45.6616 0.0000 172.6351 20 E 4.9160 8.3499 119.1946 54.6524 33.5705 175.1389 21 R 5.2039 8.8874 119.4174 54.6387 34.7959 174.9254 22 L 4.4950 9.2579 124.0564 53.9404 44.6766 174.7760 23 G 4.0171 8.1327 118.1620 44.1444 0.0000 171.5644 24 H 4.1194 9.3825 117.7978 59.5866 29.7981 178.5259 25 G 3.5054 7.9579 106.7065 47.8220 0.0000 175.7456 26 K 3.9710 7.7602 119.4740 58.7166 32.2289 179.2722 27 V 3.4601 7.3944 118.0497 65.6566 31.6041 177.4127 28 E 4.0000 7.9866 119.0144 59.1105 29.4178 178.5549 29 L 3.7268 7.3386 118.0497 56.4825 42.7308 178.0233 *31 Q 4.2009 8.0006 119.8347 55.7679 30.8530 177.2290 32 L 4.0942 8.2090 118.0908 57.5270 41.4815 179.5108 33 I 3.7024 8.2036 120.2808 64.2614 36.8180 178.2199 34 A 3.9645 7.9297 120.1449 54.8814 18.2446 178.5065 35 E 4.1772 7.8419 116.5444 58.0512 30.0600 177.5636 36 T 4.5170 8.0076 107.6119 60.2908 70.4416 175.0182 37 G 3.9839 8.7163 110.0736 46.3575 0.0000 172.7401 38 S 4.8165 7.7841 113.6898 55.5064 65.7375 175.0031 39 I 3.8532 8.7133 128.8435 64.4339 36.9807 178.6145 40 S 4.4248 8.3773 114.5750 61.3661 62.8529 176.2754 41 A 3.9535 8.4214 124.3383 54.8420 17.9743 179.2364 42 A 4.0208 7.6667 117.4997 55.3351 18.5234 179.6955 43 G 3.7637 8.0096 102.6467 48.0834 0.0000 175.4026 44 R 4.1730 7.9568 119.6392 58.9374 30.2071 179.7128 45 A 4.0586 7.9340 117.3143 52.3409 20.1296 177.8170 *47 D 4.2445 7.8321 120.6169 55.5872 41.3542 175.6082 *49 S 4.3308 7.6472 117.5486 57.7495 65.7728 174.0368 50 Y 4.0141 8.4364 122.6961 60.8088 38.4541 177.8699 51 R 4.0037 8.3106 119.1611 59.9861 29.9090 178.4256 52 R 3.9277 8.2833 117.1963 59.0880 30.0938 178.9158 53 A 3.9209 7.9994 120.5723 54.9767 18.3636 179.5310 54 W 3.7590 8.6052 127.2273 60.4771 30.6686 178.1106 55 L 3.9921 8.5442 119.3304 57.7372 40.9715 179.6268 56 L 3.8577 7.5481 119.0940 57.5466 41.5615 179.4325 57 V 3.3743 7.4729 118.1784 66.0574 31.1618 177.5021 58 D 3.9006 7.6879 116.1544 56.9988 41.1987 177.5784 59 A 4.0555 7.9237 121.3497 55.4004 18.1631 179.5758 60 L 4.0140 7.6640 115.8172 57.8706 41.7700 178.7313 61 N 4.6979 7.9606 113.3017 53.5948 39.8554 174.9003 62 H 4.7155 7.6659 116.6024 54.5259 29.0312 171.9720 *64 F 4.5137 7.4974 117.4957 57.1120 40.5223 176.2793 65 R 4.0338 8.4947 119.9841 58.4392 30.0474 177.3741 66 Q 4.6564 7.1358 114.6507 52.7820 31.5365 173.5796 67 P 4.4625 0.0000 0.0000 63.3340 32.1445 176.3563 68 V 4.2612 9.7613 121.4100 63.8941 33.3059 175.7012 69 I 5.2153 7.9611 118.8208 59.5804 40.7174 174.6668 70 C 4.8897 9.0857 119.0732 56.6994 33.4820 173.5843 71 S 5.0922 8.6469 116.0828 59.0630 63.6952 172.8692 72 Q 4.4714 8.1212 118.2535 54.8689 31.5435 174.9322 73 R 4.1384 8.0545 117.5320 55.8334 29.3977 177.7277 *80 G 3.9699 7.5340 104.1646 46.0196 0.0000 171.9371 81 A 5.3748 8.6015 119.9095 50.4740 23.7235 176.4248 82 A 4.5819 8.7735 119.7960 50.4489 23.3646 175.7549 83 L 4.6635 8.3566 119.7288 54.7441 42.6047 177.5700 84 T 4.1654 8.7361 114.0191 61.1024 70.4472 175.6530 85 V 3.5378 8.7079 120.6363 66.4737 31.2688 177.4854 86 F 4.3293 8.3557 119.5918 61.2631 39.1323 177.0602 87 G 3.3424 8.0963 105.0180 47.6585 0.0000 175.4940 88 A 3.8929 8.0876 123.5182 54.7546 18.2665 179.5980 89 E 3.7707 7.8728 117.0456 59.2886 29.4656 179.1233 90 L 3.5506 7.4528 120.5933 57.9744 42.0274 178.6568 91 L 3.8449 7.7355 120.1369 58.2207 41.9206 178.5828 92 E 3.9142 8.1408 119.0644 59.3026 29.3621 178.7029 93 R 3.8779 7.9553 117.8687 59.5889 30.1883 177.5370 94 Y 4.1554 8.0776 118.6587 60.6399 39.0774 177.8362 95 R 4.4470 8.3531 119.2817 59.0432 30.0849 180.1187 96 G 3.5357 8.2435 103.4756 45.2307 0.0000 175.1340 *98 E 4.1180 8.0886 121.3151 56.0927 31.6959 177.4119 99 E 4.0877 8.1622 117.9986 59.6961 29.7663 180.7507 100 R 4.1399 8.2032 115.7088 56.8740 29.7250 178.4702 *102 N 4.6531 8.3442 116.9590 53.5684 40.5408 176.6140 103 E 4.0302 8.3604 117.2970 59.6235 29.3174 179.4781 104 A 4.0172 7.8851 119.0379 54.5395 18.6329 178.6437 105 L 4.4117 7.3776 113.9995 54.7065 41.9455 178.4743 106 R 3.8697 7.6067 121.2076 59.6658 30.0258 178.1059 107 E 4.0028 8.1362 118.4494 59.3390 29.6967 178.3311 108 D 4.3861 8.0490 118.5454 57.2925 40.9281 178.4761 109 I 3.7733 8.0528 120.5127 64.6534 37.1229 177.9475 110 D 4.4429 8.2016 119.5725 57.4040 40.6596 178.9962 111 W 4.1359 8.3596 128.6086 60.4601 30.7572 178.0924 112 L 3.9328 8.4493 119.1019 57.7089 40.8183 179.1555 113 E 3.9046 8.3817 118.7318 59.1900 29.6854 178.4814 114 A 4.0415 7.9826 119.9137 54.5928 18.4873 178.5202 115 N 4.3362 7.2525 112.5539 52.8820 39.2994 175.8050 116 R 3.8254 7.3104 121.6247 55.7655 30.6216 175.5590 117 N 4.3406 8.6529 124.2432 53.0305 39.4596 172.5548 118 P 4.2412 0.0000 0.0000 65.3835 31.7080 176.2610 119 Q 3.6821 8.0786 121.1988 55.9011 28.8839 173.4537 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 4 K 8.30 4.26 0.00 1.88 1.89 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 5 R 8.17 4.50 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 6 L 8.01 4.22 0.00 1.66 1.65 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.50 0.00 2.18 2.06 0.00 3.77 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 1.99 1.99 0.00 8 L 8.10 4.14 0.00 1.72 1.67 0.96 0.62 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 9 K 8.14 4.44 0.00 1.67 1.65 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.44 7.81 10 P 0.00 4.55 0.00 2.22 2.04 0.00 3.77 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 2.21 1.99 0.00 11 V 8.08 4.50 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 0.75 0.00 0.00 0.96 0.00 0.00 12 L 8.46 4.79 0.00 1.49 1.43 0.92 0.49 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 13 R 8.32 5.09 0.00 1.89 1.79 0.00 3.29 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 14 I 8.86 4.67 2.22 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.68 0.91 0.00 0.00 15 D 8.88 4.79 0.00 2.58 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.48 4.61 0.00 2.84 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 17 P 0.00 4.63 0.00 2.02 1.98 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 18 P 0.00 4.45 0.00 2.18 2.17 0.00 3.76 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 1.95 0.00 19 G 7.98 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 0.00 0.00 0.00 20 E 8.35 4.92 0.00 2.01 1.73 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 2.16 2.28 0.00 21 R 8.89 5.20 0.00 1.63 1.81 0.00 3.14 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 22 L 9.26 4.50 0.00 1.57 1.72 0.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.13 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.38 4.12 0.00 3.24 3.35 0.00 5.68 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 25 G 7.96 3.51 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 0.00 0.00 0.00 26 K 7.76 3.97 0.00 1.61 1.76 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 27 V 7.39 3.46 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 -0.23 0.00 0.00 28 E 7.99 4.00 0.00 1.94 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 2.25 2.26 0.00 29 L 7.34 3.73 0.00 1.75 1.79 0.86 0.51 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 *31 Q 8.00 4.20 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 32 L 8.21 4.09 0.00 2.03 1.67 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.20 3.70 1.83 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 1.45 0.81 0.90 0.00 0.00 34 A 7.93 3.96 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 35 E 7.84 4.18 0.00 2.05 1.97 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 2.28 2.35 0.00 36 T 8.01 4.52 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 1.24 0.00 0.00 37 G 8.72 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 38 S 7.78 4.82 0.00 3.79 3.68 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 39 I 8.71 3.85 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.47 0.69 0.00 0.00 40 S 8.38 4.42 0.00 4.17 4.35 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 0.00 0.00 0.00 0.00 41 A 8.42 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.02 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 43 G 8.01 3.76 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 0.00 0.00 0.00 44 R 7.96 4.17 0.00 2.09 2.06 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 A 7.93 4.06 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 *47 D 7.83 4.24 0.00 2.72 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 *49 S 7.65 4.33 0.00 4.13 4.08 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 50 Y 8.44 4.01 0.00 3.07 3.03 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 51 R 8.31 4.00 0.00 1.97 1.99 0.00 3.26 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 52 R 8.28 3.93 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 53 A 8.00 3.92 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 54 W 8.61 3.76 0.00 2.72 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 55 L 8.54 3.99 0.00 1.93 1.73 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.55 3.86 0.00 1.74 1.61 0.87 0.77 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 57 V 7.47 3.37 1.77 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 0.73 0.00 0.00 0.83 0.00 0.00 58 D 7.69 3.90 0.00 1.58 2.38 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 59 A 7.92 4.06 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 60 L 7.66 4.01 0.00 1.74 1.76 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.96 4.70 0.00 2.56 2.71 0.00 0.00 6.83 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 62 H 7.67 4.72 0.00 3.02 3.19 0.00 5.88 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 *64 F 7.50 4.51 0.00 3.23 2.84 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 0.00 0.00 0.00 0.00 65 R 8.49 4.03 0.00 1.64 1.91 0.00 3.11 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 66 Q 7.14 4.66 0.00 1.65 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.96 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 67 P 0.00 4.46 0.00 2.05 1.98 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 68 V 9.76 4.26 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 0.92 0.00 0.00 1.10 0.00 0.00 69 I 7.96 5.22 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.88 0.00 0.00 70 C 9.09 4.89 0.00 2.92 2.97 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 71 S 8.65 5.09 0.00 3.82 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 72 Q 8.12 4.47 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.59 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 73 R 8.05 4.14 0.00 1.83 1.96 0.00 3.24 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 *80 G 7.53 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 81 A 8.60 5.37 1.23 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 0.00 0.00 82 A 8.77 4.58 1.20 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 0.00 0.00 83 L 8.36 4.66 0.00 1.50 1.54 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.74 4.17 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 1.27 0.00 0.00 85 V 8.71 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 86 F 8.36 4.33 0.00 3.29 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 87 G 8.10 3.34 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 0.00 88 A 8.09 3.89 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 89 E 7.87 3.77 0.00 2.05 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 2.28 2.26 0.00 90 L 7.45 3.55 0.00 0.62 1.26 0.69 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.74 3.84 0.00 1.75 1.71 0.85 0.85 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 92 E 8.14 3.91 0.00 2.21 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 2.28 2.34 0.00 93 R 7.96 3.88 0.00 1.79 2.16 0.00 3.39 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 94 Y 8.08 4.16 0.00 2.98 3.06 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 R 8.35 4.45 0.00 2.05 1.98 0.00 3.42 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 96 G 8.24 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 *98 E 8.09 4.12 0.00 2.07 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 1.99 1.72 0.00 99 E 8.16 4.09 0.00 2.17 1.97 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 2.31 2.27 0.00 100 R 8.20 4.14 0.00 1.89 1.91 0.00 3.13 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 *102 N 8.34 4.65 0.00 2.93 2.89 0.00 0.00 7.01 7.66 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 0.00 103 E 8.36 4.03 0.00 2.16 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 2.32 2.49 0.00 104 A 7.89 4.02 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 0.00 105 L 7.38 4.41 0.00 1.75 1.69 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.61 3.87 0.00 2.02 1.94 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 107 E 8.14 4.00 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 2.40 2.35 0.00 108 D 8.05 4.39 0.00 2.89 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 0.00 109 I 8.05 3.77 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 0.94 0.00 0.00 110 D 8.20 4.44 0.00 2.98 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 0.00 111 W 8.36 4.14 0.00 3.40 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 3.93 0.00 2.00 1.75 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.38 3.90 0.00 2.09 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 2.32 2.35 0.00 114 A 7.98 4.04 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 0.00 115 N 7.25 4.34 0.00 2.13 2.43 0.00 0.00 6.95 8.54 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 0.00 116 R 7.31 3.83 0.00 1.90 1.96 0.00 3.29 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 117 N 8.65 4.34 0.00 2.68 2.70 0.00 0.00 7.15 7.69 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 0.00 118 P 0.00 4.24 0.00 2.20 2.14 0.00 3.93 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 1.96 1.96 0.00 119 Q 8.08 3.68 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.