NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 N 4.6799 8.4201 118.2211 53.1745 38.5347 173.3830 -1 A 4.5373 8.3623 119.6401 50.0633 19.4192 174.8903 2 K 4.7638 8.2152 121.3796 58.0325 36.1704 171.5575 3 A 5.2516 8.5901 126.6426 51.0371 23.7055 174.8338 4 I 4.8385 8.9219 120.1376 59.6418 40.0208 174.9302 5 I 5.0030 8.9682 128.6303 59.6393 39.1816 175.3330 6 T 4.6916 8.9064 116.4698 59.8315 72.3414 172.9814 7 V 4.9521 8.1557 122.5235 61.2642 35.4779 174.0938 8 V 4.8179 8.6285 126.5240 61.4577 35.1552 174.4373 9 G 4.3313 8.8722 113.3678 45.8243 0.0000 173.7870 10 K 4.4402 8.9018 118.4817 58.1886 32.5183 177.6012 11 D 5.0043 7.8445 116.4988 52.1985 44.3030 175.7826 12 K 3.2987 8.2588 120.7198 57.7285 33.3430 176.6786 13 S 4.0186 7.8324 114.3798 59.9408 62.4386 174.5402 14 G 4.0077 8.8893 115.0016 46.4301 0.0000 175.3184 15 I 3.7660 7.8403 121.3156 64.4196 37.1706 178.1059 16 V 3.7033 7.9391 118.3808 66.2088 31.3126 177.7116 17 A 4.1446 8.0963 119.9079 55.0636 18.2389 179.7214 18 G 3.7644 8.3118 104.2383 48.0670 0.0000 176.2448 19 V 3.8578 8.4086 121.8631 65.6970 31.6485 178.2153 20 S 4.2715 8.4048 114.2869 61.4264 62.6870 176.7513 21 G 3.5428 8.2456 109.2860 47.3423 0.0000 175.5895 22 K 3.5696 8.0320 122.4055 59.0461 32.1118 178.7473 23 I 3.8106 7.9341 119.8773 64.5873 36.9985 178.2833 24 A 3.9930 7.9879 121.4218 55.0919 17.9683 179.1921 25 E 3.8334 8.0458 116.9654 59.2833 29.7683 178.3123 26 L 4.2879 7.8055 116.0027 54.2819 41.7973 177.0786 27 G 3.9038 7.9480 107.1600 46.5045 0.0000 173.5873 28 L 4.7867 7.7455 118.5369 53.0020 43.6417 176.3848 29 N 4.6318 9.2277 120.3223 53.0293 40.2037 174.7910 30 I 4.5671 8.2756 124.2481 60.4993 36.7063 175.3055 31 D 4.5632 8.9418 128.8232 57.1679 41.4027 176.4556 32 D 4.6585 7.8757 115.0537 53.6879 44.5513 174.0492 33 I 4.8579 8.1225 121.6410 60.3493 41.0710 173.5615 34 S 4.6769 8.2703 119.4595 57.3988 65.1587 173.3083 35 Q 4.7304 8.2042 122.4926 54.9311 32.8769 174.4778 36 T 4.6947 8.4682 117.4052 62.1161 73.5908 173.4316 37 V 4.2939 8.4817 125.6281 62.9246 32.7391 175.3464 38 L 4.5687 9.0264 129.1462 54.1030 45.0751 175.9710 39 D 4.0684 8.3745 128.3188 55.8088 41.2335 173.6437 40 E 4.2932 8.5510 113.0299 55.8674 29.7154 174.6690 41 Y 5.0441 7.8185 117.3517 56.5588 41.7057 174.1414 42 F 5.2917 9.4009 125.0220 57.0967 41.5536 174.7803 43 T 5.4081 8.1893 114.8265 58.4960 72.9617 172.2910 *46 A 4.5032 8.2806 121.8722 51.8609 20.5388 175.5058 47 V 4.6918 8.5906 121.3122 61.3456 33.6942 175.1838 48 V 5.6609 9.0022 120.4149 59.0812 35.9922 174.5353 49 S 5.0288 8.2805 115.2735 57.6499 66.5896 172.5794 50 S 5.0223 8.4168 113.9188 56.7361 65.7935 173.9986 51 D 4.6441 8.9463 122.7662 54.0592 39.9337 175.8998 52 E 4.7561 7.6835 119.6838 54.1065 31.9617 176.0861 53 K 4.1531 8.5101 121.2843 56.7793 32.6915 176.2634 54 Q 4.5347 8.4111 120.0888 54.0073 32.1461 175.2116 55 D 4.8269 8.0862 117.4706 52.7417 42.4037 176.2646 56 F 4.0319 8.8062 126.9820 60.1551 38.8752 177.7461 57 T 3.9517 8.0667 115.7940 66.7545 68.3088 175.8844 58 Y 4.1819 8.3034 120.8063 60.8246 38.9303 177.8348 59 L 3.6895 8.0006 119.8631 57.6299 41.6558 179.7895 60 R 4.0386 8.1927 117.9483 59.4012 30.0239 178.8330 61 N 4.3148 7.8420 116.2959 56.3438 38.4831 177.1366 62 E 3.7112 8.2116 120.9821 59.2296 29.6257 178.8961 63 F 4.2882 8.4424 118.3167 60.4440 38.9328 177.3383 64 E 4.0002 8.4469 118.8950 59.1756 29.2461 178.7425 65 A 3.9894 8.0114 119.8810 55.0826 18.7747 179.0927 66 F 4.3087 8.6982 119.6839 61.3159 39.4351 177.1912 67 G 3.8795 8.7781 105.8280 48.4080 0.0000 175.4273 68 Q 3.9883 8.1127 120.6980 58.7929 28.4514 179.2129 69 T 3.8919 7.5095 109.8655 63.7229 68.7976 175.5524 70 L 4.3597 7.2080 118.6005 53.1918 42.6459 175.4601 71 N 4.2462 7.8441 114.8786 54.6037 36.3472 174.2295 72 V 4.7172 7.8932 108.8507 59.5274 36.4156 175.6558 73 K 4.4917 9.2360 124.5272 55.1189 33.7476 174.9952 74 I 4.9862 8.4613 128.1030 59.6426 39.4443 174.6246 75 N 5.1202 9.2874 124.5930 51.3674 41.5668 173.4992 76 I 4.9947 8.3421 121.8829 59.2147 41.3152 174.0912 77 Q 4.5258 8.8892 129.3161 53.9319 32.2989 174.5597 78 S 4.1457 8.1828 120.8513 58.0364 63.1124 174.7178 79 A 4.4506 8.9348 128.8718 54.5525 18.0045 179.6762 80 A 3.9523 7.7256 119.4155 55.5499 18.0604 179.7930 81 I 3.4742 6.8553 116.0654 64.1108 37.1491 177.7221 82 F 4.6548 7.5148 115.8482 58.0989 39.1027 175.8717 83 E 4.5432 7.7457 116.8845 57.4985 32.2545 177.5505 84 A 4.1185 7.7177 124.7074 51.8297 18.4148 176.9146 *86 Y 4.5206 8.4159 112.7336 59.1547 38.3411 174.9699 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 -2 N 8.42 4.68 0.00 3.08 2.93 0.00 0.00 5.86 6.38 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 -1 A 8.36 4.54 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 2 K 8.22 4.76 0.00 1.90 1.71 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.46 7.81 3 A 8.59 5.25 1.52 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 4 I 8.92 4.84 1.93 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 1.20 0.90 0.89 0.00 0.00 5 I 8.97 5.00 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.41 0.63 0.00 0.00 6 T 8.91 4.69 4.19 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 1.17 0.00 0.00 7 V 8.16 4.95 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 1.04 0.00 0.00 0.94 0.00 0.00 8 V 8.63 4.82 2.01 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 0.73 0.00 0.00 0.84 0.00 0.00 9 G 8.87 4.33 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 0.00 10 K 8.90 4.44 0.00 1.82 1.91 0.00 2.02 0.00 0.00 2.01 0.00 0.00 2.74 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.55 1.46 7.81 11 D 7.84 5.00 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.26 3.30 0.00 0.79 1.01 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.30 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.10 7.81 13 S 7.83 4.02 0.00 3.77 3.80 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 14 G 8.89 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 15 I 7.84 3.77 1.97 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 1.47 1.17 1.18 0.00 0.00 16 V 7.94 3.70 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 1.12 0.00 0.00 1.14 0.00 0.00 17 A 8.10 4.14 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 18 G 8.31 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 19 V 8.41 3.86 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 1.14 0.00 0.00 1.20 0.00 0.00 20 S 8.40 4.27 0.00 4.13 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 21 G 8.25 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 22 K 8.03 3.57 0.00 0.79 1.69 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.67 0.96 7.81 23 I 7.93 3.81 2.07 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 1.63 0.92 0.96 0.00 0.00 24 A 7.99 3.99 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 25 E 8.05 3.83 0.00 1.89 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 2.26 2.30 0.00 26 L 7.81 4.29 0.00 1.77 1.63 0.32 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.95 3.90 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 0.00 0.00 0.00 28 L 7.75 4.79 0.00 1.60 1.64 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.23 4.63 0.00 2.69 2.74 0.00 0.00 7.00 7.43 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 30 I 8.28 4.57 1.89 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 1.37 0.52 0.97 0.00 0.00 31 D 8.94 4.56 0.00 2.69 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 32 D 7.88 4.66 0.00 2.67 2.43 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 33 I 8.12 4.86 1.88 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 1.41 0.81 0.93 0.00 0.00 34 S 8.27 4.68 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.73 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.44 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 36 T 8.47 4.69 4.19 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 1.21 0.00 0.00 37 V 8.48 4.29 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 0.85 0.00 0.00 1.10 0.00 0.00 38 L 9.03 4.57 0.00 1.67 1.53 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.37 4.07 0.00 2.85 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 40 E 8.55 4.29 0.00 1.77 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 1.50 1.47 0.00 41 Y 7.82 5.04 0.00 3.07 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 42 F 9.40 5.29 0.00 3.13 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 43 T 8.19 5.41 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 1.17 0.00 0.00 *46 A 8.28 4.50 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 47 V 8.59 4.69 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 0.97 0.00 0.00 0.91 0.00 0.00 48 V 9.00 5.66 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 0.70 0.00 0.00 1.03 0.00 0.00 49 S 8.28 5.03 0.00 3.88 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 50 S 8.42 5.02 0.00 3.87 3.81 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 51 D 8.95 4.64 0.00 2.84 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 52 E 7.68 4.76 0.00 1.97 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 2.24 2.24 0.00 53 K 8.51 4.15 0.00 1.77 1.79 0.00 1.77 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.44 7.81 54 Q 8.41 4.53 0.00 1.68 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 55 D 8.09 4.83 0.00 2.78 2.61 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 0.00 0.00 0.00 0.00 56 F 8.81 4.03 0.00 3.19 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 57 T 8.07 3.95 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 1.28 0.00 0.00 58 Y 8.30 4.18 0.00 3.12 3.13 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 0.00 0.00 0.00 59 L 8.00 3.69 0.00 1.65 1.79 0.43 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.19 4.04 0.00 1.98 2.05 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.12 0.00 61 N 7.84 4.31 0.00 2.79 2.85 0.00 0.00 6.73 7.55 0.00 0.00 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 E 8.21 3.71 0.00 1.16 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 1.74 1.94 0.00 63 F 8.44 4.29 0.00 3.29 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 64 E 8.45 4.00 0.00 2.11 2.21 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 2.33 2.36 0.00 65 A 8.01 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.70 4.31 0.00 3.08 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 67 G 8.78 3.88 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 0.00 0.00 0.00 68 Q 8.11 3.99 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 69 T 7.51 3.89 4.11 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 1.21 0.00 0.00 70 L 7.21 4.36 0.00 1.56 1.63 0.92 0.91 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 71 N 7.84 4.25 0.00 2.86 2.92 0.00 0.00 6.68 8.89 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 72 V 7.89 4.72 2.23 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 0.72 0.00 0.00 0.99 0.00 0.00 73 K 9.24 4.49 0.00 1.81 1.65 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.44 7.81 74 I 8.46 4.99 2.16 0.00 0.00 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 1.42 0.86 0.86 0.00 0.00 75 N 9.29 5.12 0.00 2.54 2.68 0.00 0.00 5.99 7.20 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 76 I 8.34 4.99 1.69 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 1.54 0.95 1.09 0.00 0.00 77 Q 8.89 4.53 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 78 S 8.18 4.15 0.00 2.72 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 79 A 8.93 4.45 1.43 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 80 A 7.73 3.95 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 81 I 6.86 3.47 1.09 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.52 0.00 0.00 82 F 7.51 4.65 0.00 3.07 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 83 E 7.75 4.54 0.00 1.91 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 2.47 2.24 0.00 84 A 7.72 4.12 1.06 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 *86 Y 8.42 4.52 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.