NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4149 8.1749 115.2502 62.1152 67.7034 173.3737 -4 E 5.4490 7.7660 128.1183 53.2507 30.9861 175.8083 -3 F 4.4501 8.7525 119.6919 57.7284 42.5702 172.2892 -2 K 4.2110 7.6208 127.3392 53.6783 34.6173 176.1318 -1 A 4.0368 7.4844 125.1616 51.8047 19.4351 176.4511 -4 G 5.0590 7.6760 116.7183 41.7507 0.0000 174.1083 -3 S 4.3001 8.7625 115.0919 58.3284 66.7702 171.0892 -2 A 4.2110 7.5708 130.7392 49.9783 20.6173 177.3318 -1 K 4.0368 7.5344 121.7616 55.5047 33.4351 175.2511 5 K 4.1304 8.1346 119.1017 59.6085 32.2462 178.5732 6 G 3.8942 8.3120 105.1538 48.1513 0.0000 174.9493 7 A 2.5800 7.9448 122.4741 54.1018 18.2270 178.9966 8 T 4.1518 7.5540 106.7946 63.1986 69.3727 177.4217 9 L 4.3050 7.5772 123.0671 57.0345 41.7909 178.4691 10 F 3.8262 7.9450 120.6034 61.4052 38.8284 177.1081 11 K 3.9096 7.6492 117.0835 59.9089 32.0481 179.5287 12 T 4.0746 8.3788 110.1968 63.9528 68.4859 175.5441 13 R 4.6181 9.7111 116.9613 55.8291 32.0502 175.9490 14 C 4.3303 7.9166 114.0033 58.8881 31.0803 175.9784 15 L 4.0736 6.8892 121.6998 57.2756 41.9263 178.4472 16 Q 3.9183 8.0269 118.4991 59.0507 28.9190 177.1128 17 C 4.9522 8.0007 111.4930 59.3882 30.0578 173.3149 18 H 5.3117 8.2541 115.4900 54.7037 33.5177 172.4815 19 T 4.8471 8.6598 109.8894 60.3763 71.3119 174.7795 20 V 4.3135 8.3614 114.9370 61.9487 34.0484 176.0053 21 E 4.2525 7.9370 120.0905 55.2516 29.9758 176.0166 22 K 3.8332 8.3616 125.1233 57.9927 32.4572 176.6982 23 G 3.8565 9.0179 113.8564 45.5867 0.0000 173.1438 24 G 4.0054 7.7562 108.2235 43.3013 0.0000 172.4930 25 P 4.5443 0.0000 0.0000 62.0477 32.5587 175.5555 26 H 4.9494 8.4016 116.7023 55.5461 30.7422 174.0456 27 K 4.7018 8.0624 122.2014 56.4299 32.1094 178.1041 28 V 3.6691 9.0069 126.9321 66.5749 31.5252 176.0291 29 G 3.8531 7.8947 108.4229 42.7870 0.0000 171.1172 30 P 4.2950 0.0000 0.0000 61.3827 32.1915 175.5191 31 N 4.6820 8.7170 117.4089 53.6417 39.5441 174.6765 32 L 4.3223 8.9099 123.4804 54.5941 42.2868 176.1707 33 H 4.1637 8.5261 120.5386 57.7973 29.9351 175.0262 34 G 3.8170 8.6221 115.2125 46.2444 0.0000 174.3705 35 I 3.5983 7.8576 123.2548 63.3548 38.0468 176.3335 36 F 4.6977 7.5957 119.3121 58.9170 38.9697 175.0003 37 G 4.0412 10.6654 115.2049 44.9440 0.0000 173.3929 38 R 4.4380 7.6144 119.4114 55.6892 31.8368 175.3475 39 H 4.7896 8.5584 121.0096 54.8510 29.9705 175.4521 40 S 4.2058 8.3009 117.4454 59.2796 63.5446 174.3391 41 G 2.0027 8.3250 110.0196 46.1695 0.0000 173.8250 42 Q 4.4651 7.8114 116.0169 54.8752 30.1249 175.9114 43 A 4.2041 9.2183 123.2773 52.0896 18.5940 177.0098 44 E 4.2944 8.8268 122.1776 57.2755 30.6929 176.8348 45 G 4.0882 9.4333 110.8130 45.2301 0.0000 171.9894 46 Y 4.3472 7.7883 119.8617 55.4327 41.2019 174.8064 47 S 4.7037 6.9379 121.9480 56.6540 61.1848 172.2148 48 Y 4.6041 8.1215 122.1797 57.1917 39.0148 176.2463 49 T 4.2082 8.5802 113.6182 61.4620 70.1314 174.8388 50 D 4.4488 8.9673 121.8798 57.6417 40.5312 178.7677 51 A 4.0172 8.0868 119.3002 56.0201 18.5652 178.2554 52 N 4.1709 8.3419 114.4454 56.8725 38.4719 176.7791 53 I 3.4874 7.6255 119.3435 64.7119 37.3175 178.5605 54 K 4.1373 7.7165 117.0070 58.7644 31.8611 179.1501 55 K 3.8203 7.6516 119.6909 58.9962 33.2101 176.7085 56 N 3.9288 7.2406 114.1083 54.4412 37.6301 174.2010 57 V 3.5990 7.0044 119.1779 62.4789 33.3549 175.1917 58 L 4.1513 7.9450 129.0872 53.8683 43.1759 176.0572 59 W 5.2325 9.0995 127.4361 55.6845 29.6919 174.8970 60 D 5.5088 8.7157 123.9195 50.3514 42.4898 176.2368 61 E 3.4997 8.7448 117.6422 59.5471 29.0643 178.9626 62 N 4.4916 8.0458 116.5251 55.8909 39.0108 176.3706 63 N 4.3996 8.0235 119.6702 56.4574 39.1372 176.4045 64 M 4.1371 8.1748 118.5035 58.2143 31.9351 177.7099 65 S 4.4457 7.8560 112.2689 60.6486 62.7567 175.4848 66 E 4.1133 8.1166 120.7526 59.6285 28.9096 178.2780 67 Y 4.3199 7.7888 119.5815 61.2075 38.8594 178.7301 68 L 3.9711 7.6686 117.9375 57.7069 41.4151 179.6689 69 T 4.2836 9.0388 117.2444 65.5616 69.0703 173.1889 70 N 4.9077 7.6782 113.8684 52.9487 40.9368 172.6142 71 P 4.3938 0.0000 0.0000 63.3724 32.0112 178.0362 *73 K 4.2331 8.0799 120.5136 56.7256 33.7090 176.4194 74 Y 4.3102 8.4789 118.5166 60.1717 39.1093 176.0885 75 I 4.5431 8.8277 121.9600 57.9794 37.4888 170.7993 76 P 4.5518 0.0000 0.0000 63.7558 31.5728 175.7353 77 G 3.5008 9.2270 117.7476 45.6738 0.0000 173.6659 78 T 3.9651 7.7139 115.7449 62.5409 67.5877 173.3915 79 K 4.3565 8.7344 126.3665 57.1431 32.8247 176.2173 80 M 4.1252 8.5755 120.6024 55.8486 31.8055 176.3220 81 A 4.4532 8.3560 130.8782 50.5317 17.7929 174.6462 82 F 4.5657 7.9946 119.0877 57.4414 42.5199 174.5756 83 G 3.3823 7.8953 117.7519 48.0010 0.0000 171.3492 84 G 4.0314 5.3800 102.9431 44.3842 0.0000 172.4771 85 L 4.6847 8.2293 121.2945 52.7334 43.9839 176.7564 86 K 4.1018 8.8105 124.3862 58.6524 32.6056 178.4919 87 K 4.4530 7.7879 118.2944 54.7418 34.2684 176.8465 88 E 3.9453 8.7798 124.9386 59.2888 29.6850 178.8968 89 K 3.8288 8.1609 118.2832 60.6213 32.3304 178.4725 90 D 4.4244 8.0957 119.7542 56.6346 40.6826 178.8442 91 R 3.9917 7.9608 118.5798 59.4081 30.1244 178.3371 92 N 4.6627 8.6249 116.5760 57.2259 38.6318 176.5352 93 D 4.4259 8.2008 119.4755 57.7845 40.7420 178.8247 94 L 4.1103 8.3496 119.9170 58.6404 42.0556 179.1813 95 I 3.8131 8.1636 119.7499 64.9738 36.9261 178.4896 96 T 3.9752 8.3932 116.4336 66.6923 68.3195 175.9579 97 Y 4.0382 8.5485 121.7164 60.7290 38.8563 178.3289 98 L 3.6616 9.6800 119.7109 57.5376 41.5004 179.1987 99 K 3.6475 9.8083 118.4415 60.2827 32.1913 177.8203 100 K 3.9138 8.1789 118.2927 58.6476 32.1172 178.7111 101 A 3.9851 7.8126 121.0319 55.4539 18.7432 179.4734 102 T 4.1172 7.5295 107.5203 62.6264 68.3825 174.1030 103 E 4.0032 7.7265 127.9017 56.6235 29.6616 175.9404 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 -5 T 8.17 4.41 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 1.22 0.00 0.00 -4 E 7.77 5.45 0.00 2.09 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 0.00 2.24 2.36 0.00 -3 F 8.75 4.45 0.00 2.99 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 -2 K 7.62 4.21 0.00 1.51 1.45 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.28 7.81 -1 A 7.48 4.04 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 -4 G 7.68 5.06 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 -3 S 8.76 4.30 0.00 3.74 3.79 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 -2 A 7.57 4.21 1.18 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 -1 K 7.53 4.04 0.00 1.59 1.53 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 5 K 8.13 4.13 0.00 1.88 1.97 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.59 7.81 6 G 8.31 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 7 A 7.94 2.58 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 8 T 7.55 4.15 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 1.17 0.00 0.00 9 L 7.58 4.31 0.00 1.93 1.75 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.94 3.83 0.00 3.10 2.66 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 11 K 7.65 3.91 0.00 1.96 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.63 7.81 12 T 8.38 4.07 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 1.21 0.00 0.00 13 R 9.71 4.62 0.00 1.68 1.94 0.00 3.18 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 14 C 7.92 4.33 0.00 1.23 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 0.00 0.00 0.00 0.00 15 L 6.89 4.07 0.00 1.84 1.71 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.03 3.92 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 17 C 8.00 4.95 0.00 2.73 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 5.31 0.00 3.24 3.28 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.66 4.85 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 20 V 8.36 4.31 1.75 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 0.33 0.00 0.00 0.84 0.00 0.00 21 E 7.94 4.25 0.00 2.06 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 2.41 2.36 0.00 22 K 8.36 3.83 0.00 1.11 1.05 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.39 7.81 23 G 9.02 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.76 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 25 P 0.00 4.54 0.00 2.21 2.06 0.00 3.78 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 26 H 8.40 4.95 0.00 3.26 3.41 0.00 5.64 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 27 K 8.06 4.70 0.00 1.86 0.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 9.01 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00 29 G 7.89 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.30 0.00 1.72 0.49 0.00 3.33 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 1.75 1.51 0.00 31 N 8.72 4.68 0.00 2.95 2.78 0.00 0.00 6.95 7.78 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 32 L 8.91 4.32 0.00 1.56 1.45 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.53 4.16 0.00 3.16 3.30 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.62 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 35 I 7.86 3.60 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.50 0.16 0.00 0.00 36 F 7.60 4.70 0.00 3.13 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 37 G 10.67 4.04 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 0.00 38 R 7.61 4.44 0.00 1.96 1.83 0.00 3.16 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 39 H 8.56 4.79 0.00 2.95 3.06 0.00 5.96 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.30 4.21 0.00 3.93 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.81 4.47 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 43 A 9.22 4.20 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 44 E 8.83 4.29 0.00 2.17 2.05 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 2.32 2.36 0.00 45 G 9.43 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 46 Y 7.79 4.35 0.00 2.49 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 0.00 0.00 0.00 0.00 47 S 6.94 4.70 0.00 3.70 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 48 Y 8.12 4.60 0.00 3.08 2.94 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 49 T 8.58 4.21 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 1.34 0.00 0.00 50 D 8.97 4.45 0.00 2.77 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 51 A 8.09 4.02 1.35 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 0.00 0.00 52 N 8.34 4.17 0.00 2.97 2.88 0.00 0.00 7.25 7.72 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 53 I 7.63 3.49 1.96 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 1.47 0.39 0.89 0.00 0.00 54 K 7.72 4.14 0.00 1.72 1.84 0.00 1.59 0.00 0.00 1.89 0.00 0.00 3.53 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 55 K 7.65 3.82 0.00 1.81 2.04 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.56 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.43 1.37 7.81 56 N 7.24 3.93 0.00 3.01 2.72 0.00 0.00 7.31 7.59 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 57 V 7.00 3.60 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 -0.81 0.00 0.00 0.98 0.00 0.00 58 L 7.95 4.15 0.00 1.47 1.37 0.86 0.59 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 59 W 9.10 5.23 0.00 3.33 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 60 D 8.72 5.51 0.00 2.74 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 61 E 8.74 3.50 0.00 1.16 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 1.98 2.21 0.00 62 N 8.05 4.49 0.00 2.98 2.93 0.00 0.00 6.77 6.92 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 63 N 8.02 4.40 0.00 2.96 3.03 0.00 0.00 6.39 8.29 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 64 M 8.17 4.14 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.85 0.00 65 S 7.86 4.45 0.00 4.03 4.15 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 0.00 0.00 0.00 0.00 66 E 8.12 4.11 0.00 1.99 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 0.00 2.55 2.52 0.00 67 Y 7.79 4.32 0.00 2.74 3.02 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 68 L 7.67 3.97 0.00 2.05 1.73 0.94 0.55 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 69 T 9.04 4.28 4.50 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 1.25 0.00 0.00 70 N 7.68 4.91 0.00 2.73 2.70 0.00 0.00 6.76 7.59 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 71 P 0.00 4.39 0.00 2.22 1.57 0.00 3.78 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 2.12 1.66 0.00 *73 K 8.08 4.23 0.00 1.95 2.16 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.57 7.81 74 Y 8.48 4.31 0.00 3.14 3.47 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 75 I 8.83 4.54 2.08 0.00 0.00 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 1.52 0.97 0.99 0.00 0.00 76 P 0.00 4.55 0.00 2.20 2.13 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 77 G 9.23 3.50 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 0.00 78 T 7.71 3.97 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 79 K 8.73 4.36 0.00 1.98 1.96 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.56 7.81 80 M 8.58 4.13 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 81 A 8.36 4.45 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 82 F 7.99 4.57 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 83 G 7.90 3.38 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 0.00 84 G 5.38 4.03 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 0.00 0.00 0.00 85 L 8.23 4.68 0.00 1.74 1.65 1.02 0.84 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 86 K 8.81 4.10 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 87 K 7.79 4.45 0.00 1.94 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 88 E 8.78 3.95 0.00 2.05 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 2.41 2.41 0.00 89 K 8.16 3.83 0.00 2.01 2.08 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 90 D 8.10 4.42 0.00 3.00 2.81 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 91 R 7.96 3.99 0.00 2.22 2.10 0.00 3.34 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 1.68 1.96 0.00 92 N 8.62 4.66 0.00 2.84 2.84 0.00 0.00 7.11 7.90 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 93 D 8.20 4.43 0.00 3.05 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 94 L 8.35 4.11 0.00 1.88 1.91 1.41 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.16 3.81 2.22 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.22 0.00 0.00 96 T 8.39 3.98 4.45 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 1.26 0.00 0.00 97 Y 8.55 4.04 0.00 3.06 3.19 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 0.00 0.00 0.00 0.00 98 L 9.68 3.66 0.00 1.92 1.82 1.12 0.33 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 99 K 9.81 3.65 0.00 1.69 1.90 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.27 7.81 100 K 8.18 3.91 0.00 1.85 1.51 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.41 7.81 101 A 7.81 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.53 4.12 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 1.05 0.00 0.00 103 E 7.73 4.00 0.00 2.22 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 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.