NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5344 8.3193 116.7951 58.5714 64.4509 173.9198 1 T 4.1271 8.8066 115.2976 60.3254 70.8944 174.6145 2 K 3.8685 8.6907 121.0092 59.6187 32.5104 180.2871 3 L 4.0120 7.9540 119.7570 58.3247 41.9904 178.2713 4 E 3.9447 8.5074 118.8291 59.9119 29.4836 179.3027 5 E 3.9332 8.2723 118.0323 60.0301 29.4672 179.4016 6 H 4.2916 8.0197 116.1126 58.5936 28.7735 177.7490 7 L 4.0693 8.0373 120.9434 57.8243 41.4333 178.8114 8 E 3.9681 8.8786 119.6395 59.5183 29.4871 178.7602 9 G 4.0465 8.1970 105.3523 48.4937 0.0000 175.5424 10 I 4.0219 8.1975 122.8478 63.7343 37.0508 178.8405 11 V 3.8363 8.4987 119.6789 66.0181 31.2931 177.6194 12 N 4.3566 9.0184 116.8092 56.5234 38.5900 176.9289 13 I 3.7972 7.8710 120.8845 64.7480 37.3700 177.8106 14 F 4.0261 8.3706 120.9657 61.9673 39.2503 176.7483 15 H 3.8730 9.0559 117.8788 59.1598 29.4454 177.2519 16 Q 3.9030 8.1922 120.0292 59.0063 28.6623 178.0525 17 Y 3.6466 7.8106 117.2615 61.3101 37.9327 179.1733 18 S 3.9335 7.4452 115.3023 61.3335 62.5752 177.0966 19 V 3.4357 7.1361 119.5736 65.9788 31.4424 177.9240 20 R 3.9131 7.8993 117.1127 58.4312 29.9149 177.4854 21 K 4.5164 8.8612 115.4100 55.8459 33.1596 177.4406 22 G 4.4603 7.3060 118.4000 46.7416 0.0000 173.7640 *23 H 4.7575 7.2178 118.0267 52.2972 29.8287 177.2543 24 F 4.4105 8.6843 120.3668 61.6675 39.4819 176.0395 25 D 5.0101 8.0207 118.7624 52.9598 39.6966 175.2360 26 T 5.1552 8.0379 107.1817 61.3876 72.4901 172.3921 27 L 4.7323 9.3164 126.0647 53.9747 45.6444 176.6727 *28 S 4.6101 8.6731 120.9751 57.7567 63.2944 174.9048 29 K 3.9251 8.7510 119.5375 61.0592 31.8044 180.3674 30 G 4.0858 8.4988 105.8941 47.7986 0.0000 174.8760 31 E 4.4023 7.6966 119.4270 56.1317 29.7296 178.3542 32 L 3.9637 8.5459 123.0020 57.7496 42.2393 178.2971 33 K 3.4126 7.9188 119.1472 59.7908 32.1294 178.6064 34 Q 3.9990 7.7251 117.2610 58.4897 28.4369 178.2446 35 L 3.6454 7.4749 121.9164 57.8822 42.0844 178.6444 36 L 4.0088 8.2158 119.1204 58.4631 41.5236 179.7951 37 T 4.1119 7.9493 113.6371 65.4673 67.3116 176.8935 *38 K 4.1400 7.8578 124.7905 59.7901 31.9262 181.1356 39 E 4.6255 8.2393 118.5134 57.6047 30.1462 177.4982 40 L 4.6017 7.9506 117.9346 54.7734 42.5816 178.8887 41 A 3.9952 8.0152 123.2656 55.3927 18.4218 179.4971 42 N 4.1829 8.2877 114.5486 57.2639 38.5453 177.3046 43 T 3.8510 7.9206 115.9199 66.8324 68.6657 176.5593 44 I 3.6301 8.1313 121.9806 64.2653 36.9071 178.4008 45 K 3.9401 7.9342 119.4480 59.5993 32.0388 178.3306 46 N 4.6068 7.8633 116.0491 54.7303 38.4858 175.4309 47 I 3.7730 7.0311 122.8614 61.5410 37.2894 176.8906 *48 K 4.0617 8.5374 127.4696 56.1249 32.2291 172.7055 49 D 4.8026 7.6773 116.7777 52.6066 41.1750 176.1912 50 K 4.0009 8.3174 126.3202 58.4005 32.3729 178.4235 51 A 3.8986 8.2472 121.0194 55.1941 18.0622 179.5557 52 V 3.4661 7.6346 116.9923 66.2004 31.6891 178.3354 53 I 3.5189 7.4154 112.3323 63.6209 37.3516 177.2714 54 D 4.3428 8.1624 123.4575 58.7344 40.7896 178.7820 55 E 3.9042 8.6548 116.6250 60.6760 29.2543 182.2808 56 I 3.7577 7.4607 117.7797 64.0098 37.8007 177.8651 57 F 4.3585 9.2481 121.5581 61.4008 38.7224 178.2690 *58 Q 4.2666 8.9655 118.2748 58.7559 27.6857 179.4200 59 G 4.2128 7.7820 105.8818 47.2027 0.0000 175.9485 60 L 4.0853 8.2053 121.6422 57.7037 41.4236 179.3284 61 D 4.2699 8.5740 117.9504 57.2519 40.7802 178.4189 62 A 4.2485 7.4535 119.3911 53.9952 19.8066 177.5792 63 N 4.9828 7.6724 113.5895 51.5907 39.4707 175.2340 64 Q 4.2383 8.0827 119.3356 58.1419 29.4900 177.6748 65 D 4.9041 7.5072 116.0358 54.2378 42.2241 176.7315 66 E 4.1611 8.0697 120.0135 56.0312 30.3119 176.6819 67 Q 4.4379 8.8011 123.8023 56.6314 29.7626 176.1783 68 V 4.7799 9.2734 114.0852 60.0536 36.8742 174.2591 69 D 5.4484 8.6017 121.8638 51.9559 41.9597 176.9837 70 F 3.2482 9.2943 120.3870 61.4061 39.1034 176.6814 71 Q 4.1746 8.3417 118.4363 59.2294 28.9011 177.6613 72 E 3.8457 8.0975 120.1783 59.6392 29.5755 178.0132 73 F 3.9863 8.0218 120.1225 61.8362 39.1762 176.9897 74 I 2.5509 8.0563 119.7554 64.1576 36.6893 178.5260 75 S 4.0057 7.4765 114.7298 61.7685 63.0291 176.6262 76 L 4.0467 7.5858 121.3814 57.5499 41.3692 179.4482 77 V 3.3353 7.5654 118.4549 66.0184 31.2331 177.9661 78 A 3.9845 7.8453 120.1611 54.6501 18.1865 179.8035 79 I 3.6021 7.4888 118.3971 64.2542 37.2192 177.8544 80 A 3.8400 7.9154 121.1957 55.3179 18.0597 178.8581 81 L 3.6398 7.8510 120.5824 58.9245 41.7424 179.9088 82 K 2.9287 7.9400 123.1695 59.6594 31.6677 180.6379 83 A 3.8906 7.9236 121.5510 54.0068 18.1943 178.3636 84 A 4.3784 7.3607 117.4986 51.0992 19.0891 176.9628 85 H 3.8286 9.5591 114.2225 57.0585 26.9082 174.4663 86 Y 3.3328 7.2193 113.1438 59.3878 35.4079 169.4167 87 H 4.8691 7.9625 118.1436 54.9640 29.0442 175.4091 88 T 4.8872 8.2951 115.9141 60.9700 69.3902 174.1268 89 H 4.8327 8.1892 120.4847 55.1302 32.2062 174.4987 *90 K 4.1021 8.8522 124.1108 55.1053 31.4033 173.8540 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 0 S 8.32 4.53 0.00 3.88 3.87 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 1 T 8.81 4.13 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 1.29 0.00 0.00 2 K 8.69 3.87 0.00 1.93 1.95 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.08 7.81 3 L 7.95 4.01 0.00 1.78 1.69 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.51 3.94 0.00 2.24 2.02 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 2.35 2.40 0.00 5 E 8.27 3.93 0.00 2.08 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 2.32 2.47 0.00 6 H 8.02 4.29 0.00 3.39 3.40 0.00 5.82 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 7 L 8.04 4.07 0.00 1.98 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.88 3.97 0.00 1.99 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 0.00 2.41 2.35 0.00 9 G 8.20 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 0.00 0.00 0.00 0.00 10 I 8.20 4.02 2.28 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 1.35 0.00 0.00 11 V 8.50 3.84 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 0.95 0.00 0.00 0.32 0.00 0.00 12 N 9.02 4.36 0.00 3.05 2.88 0.00 0.00 7.02 7.19 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 13 I 7.87 3.80 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.31 1.11 0.00 0.00 14 F 8.37 4.03 0.00 3.00 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 15 H 9.06 3.87 0.00 3.31 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.19 3.90 0.00 2.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 17 Y 7.81 3.65 0.00 3.06 2.89 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 18 S 7.45 3.93 0.00 3.58 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 19 V 7.14 3.44 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 0.70 0.00 0.00 0.63 0.00 0.00 20 R 7.90 3.91 0.00 1.93 1.91 0.00 3.39 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 21 K 8.86 4.52 0.00 1.82 1.78 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.58 7.81 22 G 7.31 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 H 7.22 4.76 0.00 2.94 2.86 0.00 7.20 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 24 F 8.68 4.41 0.00 3.01 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 25 D 8.02 5.01 0.00 2.86 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 26 T 8.04 5.16 4.38 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 1.30 0.00 0.00 27 L 9.32 4.73 0.00 1.39 1.43 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *28 S 8.67 4.61 0.00 3.69 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 29 K 8.75 3.93 0.00 1.91 2.04 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 30 G 8.50 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 31 E 7.70 4.40 0.00 1.92 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 2.29 2.45 0.00 32 L 8.55 3.96 0.00 1.88 1.82 1.19 0.41 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 33 K 7.92 3.41 0.00 1.58 1.67 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.68 0.21 7.81 34 Q 7.73 4.00 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 35 L 7.47 3.65 0.00 1.39 1.60 0.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.22 4.01 0.00 1.74 1.88 1.02 0.58 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 37 T 7.95 4.11 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 1.20 0.00 0.00 *38 K 7.86 4.14 0.00 1.94 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 39 E 8.24 4.63 0.00 1.99 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 2.48 2.44 0.00 40 L 7.95 4.60 0.00 1.86 1.65 0.88 0.79 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 41 A 8.02 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.29 4.18 0.00 2.75 2.93 0.00 0.00 7.08 7.05 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 43 T 7.92 3.85 4.38 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 1.13 0.00 0.00 44 I 8.13 3.63 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.81 0.00 0.00 45 K 7.93 3.94 0.00 2.20 1.83 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.36 7.81 46 N 7.86 4.61 0.00 2.91 2.85 0.00 0.00 7.04 7.50 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 47 I 7.03 3.77 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.11 0.89 0.00 0.00 *48 K 8.54 4.06 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 0.99 7.81 49 D 7.68 4.80 0.00 2.63 2.51 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 50 K 8.32 4.00 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.45 7.81 51 A 8.25 3.90 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 V 7.63 3.47 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 0.95 0.00 0.00 0.92 0.00 0.00 53 I 7.42 3.52 1.06 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.31 0.54 0.00 0.00 54 D 8.16 4.34 0.00 2.96 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 55 E 8.65 3.90 0.00 2.01 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 2.25 2.25 0.00 56 I 7.46 3.76 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.50 1.13 0.00 0.00 57 F 9.25 4.36 0.00 3.18 3.09 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 *58 Q 8.97 4.27 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 59 G 7.78 4.21 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 0.00 60 L 8.21 4.09 0.00 1.74 1.65 0.84 1.03 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 61 D 8.57 4.27 0.00 2.61 2.74 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 62 A 7.45 4.25 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 63 N 7.67 4.98 0.00 2.90 2.70 0.00 0.00 6.91 7.26 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 64 Q 8.08 4.24 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 65 D 7.51 4.90 0.00 2.50 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 66 E 8.07 4.16 0.00 1.95 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 2.41 2.56 0.00 67 Q 8.80 4.44 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 68 V 9.27 4.78 2.17 0.00 0.00 0.00 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 1.16 0.00 0.00 69 D 8.60 5.45 0.00 2.89 2.93 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 70 F 9.29 3.25 0.00 3.23 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 71 Q 8.34 4.17 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 72 E 8.10 3.85 0.00 2.25 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 2.33 2.33 0.00 73 F 8.02 3.99 0.00 2.36 2.28 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 74 I 8.06 2.55 1.37 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.23 0.70 0.00 0.00 75 S 7.48 4.01 0.00 4.03 3.87 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 76 L 7.59 4.05 0.00 1.73 1.66 0.95 0.80 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 77 V 7.57 3.34 1.58 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 0.76 0.00 0.00 0.13 0.00 0.00 78 A 7.85 3.98 1.29 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 79 I 7.49 3.60 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.85 0.00 0.00 80 A 7.92 3.84 1.29 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 81 L 7.85 3.64 0.00 1.73 1.39 1.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.94 2.93 0.00 1.77 1.81 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.34 7.81 83 A 7.92 3.89 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 84 A 7.36 4.38 1.26 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 0.00 0.00 0.00 85 H 9.56 3.83 0.00 2.94 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.22 3.33 0.00 3.14 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 87 H 7.96 4.87 0.00 3.23 3.23 0.00 5.65 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 88 T 8.30 4.89 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 1.24 0.00 0.00 89 H 8.19 4.83 0.00 3.04 3.22 0.00 5.91 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 K 8.85 4.10 0.00 1.77 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.02 7.81 * Residues marked with a * may have inaccurate shift predictions.