NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.7987 8.1032 120.8179 55.3828 32.1537 177.4579 4 L 4.7145 9.2378 118.6178 55.4893 42.0098 171.4546 5 V 4.2975 8.7256 118.8245 61.0992 33.5843 174.8743 6 F 5.1555 7.9780 114.8372 56.5866 41.6615 173.0547 7 I 4.7909 8.6356 122.6378 60.4878 41.2873 174.4832 8 V 4.7603 7.8011 128.2187 59.6432 34.4487 171.6139 9 F 5.2216 9.0741 121.6315 54.6451 43.4074 173.6589 10 Q 4.1769 8.6502 119.4927 56.4893 29.0300 177.5707 11 D 4.6993 8.8427 124.9527 54.6996 39.4815 174.2895 12 N 5.0488 8.0406 121.3130 50.5817 43.1320 174.4014 13 D 4.4358 9.8260 119.3534 57.4795 41.3544 177.8259 14 D 4.4268 8.1542 118.8621 57.5928 40.8907 178.8943 15 S 3.8897 8.0117 114.9387 60.9426 62.7485 176.2707 16 R 3.8728 7.6208 122.9758 60.5773 29.8080 178.7243 *17 Y 3.9486 7.8280 122.0504 62.4617 36.6401 180.7172 18 L 3.8549 7.2621 122.5595 59.0532 41.2110 181.3815 19 A 4.2638 8.3379 124.4535 55.7445 17.9843 180.2806 20 E 3.9343 8.1897 116.5146 61.1354 29.4382 180.9209 21 A 4.1493 7.6838 119.0749 54.4200 18.2384 178.8901 22 V 4.0515 7.7091 115.5805 63.8969 31.9081 176.7734 23 M 4.2399 7.9747 118.2285 56.0861 32.8936 176.2725 24 E 4.8291 7.4510 115.1733 54.8128 30.9160 181.6317 25 D 4.7155 7.7596 117.6750 55.7989 47.3800 176.0494 26 N 5.0482 7.7098 116.6247 50.8670 39.0229 173.5997 27 P 4.4012 0.0000 0.0000 64.2171 31.6405 177.3253 28 D 4.7016 7.7767 117.7346 54.8420 42.2621 176.5795 29 A 4.1908 8.9660 122.3876 51.8531 19.2672 176.5506 30 E 4.4610 8.4716 122.6412 54.8008 31.5209 174.2928 31 M 4.9316 8.6884 127.9231 54.4582 33.3679 174.9762 32 Q 4.7978 9.5252 124.5884 54.6968 32.4915 173.9692 33 H 5.3813 8.6412 116.0392 54.3245 31.4746 173.7008 34 Q 4.6571 8.1802 120.9500 52.9066 32.3189 174.2960 35 P 4.1026 0.0000 0.0000 65.9430 30.3807 178.1362 36 A 4.4321 8.8364 126.6323 51.9842 18.5818 178.4344 37 M 4.8946 7.5802 115.8936 55.3192 34.9936 174.3031 38 I 4.5236 8.8275 125.2181 60.5425 39.6108 175.2039 39 R 4.8979 8.6998 128.3218 55.0541 31.9302 171.7059 40 I 4.7035 8.4760 125.0723 58.9887 39.7765 175.7810 41 Q 4.9233 9.2438 127.7109 54.5777 31.3073 174.8975 42 A 5.0070 8.1247 126.9055 51.8953 20.2131 175.6602 43 E 4.3032 8.2955 124.4944 57.6167 30.6388 179.0640 44 K 4.1444 10.2308 133.5327 57.1062 31.5809 173.1412 45 R 5.3938 8.9547 116.5613 55.5949 33.7582 176.6840 46 L 5.2232 9.2972 119.2420 53.6374 46.6055 175.8802 47 V 5.0846 8.8666 122.7665 61.0004 34.7038 175.0129 48 I 4.6682 9.4165 126.0672 59.5582 38.6031 173.1935 49 N 5.4037 8.5952 126.2003 50.9472 40.7104 175.1708 50 R 4.3091 9.2742 125.9284 61.2011 29.2549 175.2628 51 E 4.1636 8.2480 118.7989 59.5551 29.4028 179.0028 52 T 3.8869 8.0268 115.8792 66.7981 68.5327 176.8298 53 M 3.6988 7.6828 119.8903 57.6434 31.2872 178.6543 54 E 3.9983 8.1418 119.3076 59.4285 29.6226 178.8098 55 E 4.0552 7.7699 117.1215 58.4805 29.7176 178.1481 56 K 4.1838 7.3276 117.2116 57.7050 32.5291 177.8456 57 L 4.5044 7.3658 116.6935 53.2253 42.9438 176.2539 58 G 3.8145 8.3011 105.4940 45.9395 0.0000 173.2239 59 R 4.4757 7.5043 115.4428 54.8789 32.9601 173.5141 60 D 4.5473 8.7203 122.2214 54.1679 41.3268 175.9244 61 W 4.8311 8.5652 131.7273 55.4858 33.3293 173.9150 62 D 4.5236 7.6895 124.5352 52.4699 42.3681 176.5752 63 V 3.0830 7.9557 124.9342 66.3482 31.2474 178.3306 64 Q 3.3711 8.1358 116.9363 58.6677 28.1395 178.4705 65 E 3.7879 7.4202 119.6455 58.0492 29.5906 177.9058 66 M 4.0859 8.6533 120.1457 58.6421 32.3333 177.5889 67 L 3.8861 7.3882 119.7915 59.2171 40.0258 178.9518 68 I 3.6595 6.9841 117.8726 63.5448 38.0313 175.8904 69 N 4.8050 8.6049 116.2743 53.8538 40.1962 175.4865 70 V 4.0219 7.0457 116.2210 61.7544 31.0970 174.4032 *72 S 4.3765 8.1736 113.4014 59.2084 64.7437 171.6874 73 I 4.5745 7.9578 118.3506 60.9251 40.8236 172.8149 74 A 3.8395 8.3469 122.7679 52.1909 22.6353 176.8828 75 G 2.0000 8.5036 108.0369 43.3083 0.0000 171.9121 76 N 4.3726 7.5384 116.3526 52.5630 39.6227 175.1844 77 V 3.7117 8.1167 124.2877 62.2951 32.7840 174.7845 78 D 4.5466 8.6421 127.2185 52.4910 43.3692 173.4980 79 E 4.9683 8.5635 128.3116 55.0484 31.7501 174.6519 80 D 4.3751 8.5693 123.8043 54.5240 43.2199 174.6444 *83 H 4.8519 7.6660 112.8527 55.2544 31.0925 170.9950 84 F 5.0817 9.2675 121.9592 57.2695 42.3711 173.9626 85 I 5.1896 8.4243 125.7875 58.7600 39.7098 170.5188 86 L 4.9583 8.8733 129.5020 53.0826 43.6202 176.2570 87 E 5.0138 8.3231 120.4996 54.8097 34.6562 172.4339 88 W 4.8130 9.2803 123.3471 56.3568 29.0778 175.9847 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 3 Q 8.10 4.80 0.00 1.76 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.05 0.00 0.00 0.00 0.00 0.00 2.26 1.82 0.00 4 L 9.24 4.71 0.00 1.78 1.90 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.73 4.30 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 0.29 0.00 0.00 1.00 0.00 0.00 6 F 7.98 5.16 0.00 3.09 3.15 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 7 I 8.64 4.79 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.95 0.82 0.00 0.00 8 V 7.80 4.76 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 0.79 0.00 0.00 0.93 0.00 0.00 9 F 9.07 5.22 0.00 2.95 2.91 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 0.00 0.00 0.00 10 Q 8.65 4.18 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.25 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 11 D 8.84 4.70 0.00 2.68 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 12 N 8.04 5.05 0.00 2.68 2.67 0.00 0.00 7.23 8.47 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 13 D 9.83 4.44 0.00 2.72 2.62 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 14 D 8.15 4.43 0.00 2.73 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 15 S 8.01 3.89 0.00 3.99 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 16 R 7.62 3.87 0.00 1.88 1.96 0.00 3.07 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 *17 Y 7.83 3.95 0.00 2.36 2.29 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 18 L 7.26 3.85 0.00 1.78 1.62 0.92 0.68 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 19 A 8.34 4.26 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 20 E 8.19 3.93 0.00 2.00 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 2.25 2.21 0.00 21 A 7.68 4.15 1.19 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 0.00 0.00 22 V 7.71 4.05 2.27 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 1.15 0.00 0.00 1.12 0.00 0.00 23 M 7.97 4.24 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.79 0.00 24 E 7.45 4.83 0.00 1.95 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 2.14 2.10 0.00 25 D 7.76 4.72 0.00 2.79 2.68 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 26 N 7.71 5.05 0.00 2.76 2.71 0.00 0.00 6.58 7.91 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 27 P 0.00 4.40 0.00 2.18 2.17 0.00 3.75 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 2.00 2.00 0.00 28 D 7.78 4.70 0.00 2.70 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 29 A 8.97 4.19 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 30 E 8.47 4.46 0.00 2.21 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 2.23 2.24 0.00 31 M 8.69 4.93 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 32 Q 9.53 4.80 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 33 H 8.64 5.38 0.00 3.00 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.18 4.66 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 35 P 0.00 4.10 0.00 2.04 1.87 0.00 3.68 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 2.03 2.11 0.00 36 A 8.84 4.43 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 37 M 7.58 4.89 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 38 I 8.83 4.52 2.12 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 1.23 0.84 1.05 0.00 0.00 39 R 8.70 4.90 0.00 1.50 1.79 0.00 3.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 40 I 8.48 4.70 1.94 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.98 0.00 0.00 41 Q 9.24 4.92 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.15 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 42 A 8.12 5.01 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 E 8.30 4.30 0.00 2.11 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 2.41 2.42 0.00 44 K 10.23 4.14 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.23 7.81 45 R 8.95 5.39 0.00 1.36 1.65 0.00 3.19 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 1.48 1.48 0.00 46 L 9.30 5.22 0.00 1.50 1.57 1.03 1.04 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 47 V 8.87 5.08 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 0.71 0.00 0.00 1.02 0.00 0.00 48 I 9.42 4.67 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.91 0.00 0.00 49 N 8.60 5.40 0.00 2.36 2.67 0.00 0.00 6.92 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 50 R 9.27 4.31 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 51 E 8.25 4.16 0.00 2.10 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 2.39 2.48 0.00 52 T 8.03 3.89 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 1.18 0.00 0.00 53 M 7.68 3.70 0.00 0.51 1.21 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.89 0.00 54 E 8.14 4.00 0.00 2.11 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 2.67 2.67 0.00 55 E 7.77 4.06 0.00 1.90 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 2.31 2.48 0.00 56 K 7.33 4.18 0.00 1.56 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.49 7.81 57 L 7.37 4.50 0.00 1.72 1.70 0.77 0.81 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 58 G 8.30 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 0.00 0.00 0.00 59 R 7.50 4.48 0.00 1.75 1.79 0.00 3.29 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 60 D 8.72 4.55 0.00 2.74 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 61 W 8.57 4.83 0.00 3.20 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 62 D 7.69 4.52 0.00 2.56 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 0.00 0.00 0.00 63 V 7.96 3.08 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 1.35 0.00 0.00 0.94 0.00 0.00 64 Q 8.14 3.37 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 65 E 7.42 3.79 0.00 1.62 1.48 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 2.24 2.20 0.00 66 M 8.65 4.09 0.00 2.04 2.37 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 67 L 7.39 3.89 0.00 1.99 1.90 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 68 I 6.98 3.66 1.88 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 1.56 0.84 0.94 0.00 0.00 69 N 8.60 4.80 0.00 2.97 2.95 0.00 0.00 6.71 7.41 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 70 V 7.05 4.02 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 0.73 0.00 0.00 0.89 0.00 0.00 *72 S 8.17 4.38 0.00 4.20 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 73 I 7.96 4.57 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.82 0.00 0.00 74 A 8.35 3.84 -0.33 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 75 G 8.50 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 76 N 7.54 4.37 0.00 2.56 2.61 0.00 0.00 7.09 7.24 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 77 V 8.12 3.71 1.94 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 0.37 0.00 0.00 0.85 0.00 0.00 78 D 8.64 4.55 0.00 2.61 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 79 E 8.56 4.97 0.00 1.50 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 0.00 2.21 2.54 0.00 80 D 8.57 4.38 0.00 2.62 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 *83 H 7.67 4.85 0.00 3.40 3.60 0.00 5.37 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.27 5.08 0.00 3.29 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 85 I 8.42 5.19 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.91 0.00 0.00 86 L 8.87 4.96 0.00 1.54 1.54 0.96 0.53 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 87 E 8.32 5.01 0.00 1.55 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 2.14 2.16 0.00 88 W 9.28 4.81 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 * Residues marked with a * may have inaccurate shift predictions.