NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.3524 8.5798 109.1317 44.2732 0.0000 174.4386 2 K 4.1587 7.5556 127.7835 55.9468 34.1989 173.4361 3 L 4.5675 8.4753 124.6527 51.0452 44.9082 176.4499 4 P 4.7041 0.0000 0.0000 62.0261 30.8326 175.8013 5 E 3.8772 8.8785 125.7289 57.0455 29.8610 175.4380 6 S 2.0000 7.5666 114.9086 56.9587 59.8385 172.5603 7 P 4.9388 0.0000 0.0000 62.0677 30.6346 178.3059 8 K 4.4150 8.7637 123.6184 57.0491 32.9372 178.9352 9 R 3.8115 8.4962 114.5809 57.1866 29.3662 177.8223 10 A 4.7395 7.9191 123.0318 54.5264 19.1279 178.9661 11 E 4.2836 8.8076 116.7929 59.2368 29.8118 178.8030 12 E 4.1476 8.3801 119.4056 58.3827 29.7847 177.7330 13 I 3.6755 7.8380 118.2516 64.2855 38.0824 177.7670 14 W 3.5202 8.1961 128.2781 60.5563 30.5317 177.0836 15 Q 4.0744 8.2566 118.7099 60.2541 28.2227 178.9691 16 Q 4.0818 8.0227 120.0044 59.2435 28.9596 179.4539 17 S 4.1021 7.3862 115.5657 60.7303 63.1025 176.0488 18 V 3.7541 7.9154 114.8158 63.6980 32.1862 178.4005 19 I 3.8050 8.1995 118.6990 64.1926 37.3194 177.5325 20 G 3.5317 8.0743 106.2163 47.8696 0.0000 174.8084 21 D 4.3931 8.5969 120.4789 56.5532 41.0297 178.0325 22 Y 4.1569 7.6666 116.4072 60.9003 38.3673 177.5278 23 L 4.2351 9.0128 120.5637 57.0574 41.6653 179.4564 24 A 3.9538 7.6490 120.4932 55.0492 18.2020 179.4397 25 R 3.8484 7.5038 112.6789 58.9746 29.2509 177.1177 26 F 4.9989 8.0792 116.2344 56.4108 40.5005 174.6218 27 K 3.6509 9.0439 118.3977 56.4541 30.6228 173.7219 28 N 4.5875 8.6835 115.0150 54.1084 40.1427 175.1194 29 D 4.8900 9.0358 116.1655 56.4729 42.0012 179.1827 30 R 4.0318 7.7586 118.3796 59.8664 31.3958 177.6217 31 V 3.6084 8.2069 117.3926 65.9344 31.4849 177.7666 32 K 4.0910 8.0310 117.0220 57.9153 32.9015 178.9422 33 A 3.9349 9.1155 122.4342 55.1580 18.3675 179.3639 34 L 3.9081 8.4883 118.8583 57.9391 41.9771 179.6201 35 K 3.8346 7.4721 115.8205 59.4373 32.0152 178.8523 36 A 4.0129 7.9565 121.1472 55.6332 17.8069 179.3805 37 M 4.4326 7.3512 115.6556 58.6341 32.7047 177.7984 38 E 3.8420 8.0351 119.4765 59.5003 29.8980 178.3739 39 M 3.9991 8.4277 118.8873 59.0693 31.9891 179.0230 40 T 4.2420 7.5549 114.2547 66.1698 69.0119 176.1137 41 W 4.3349 8.0062 132.0503 59.6413 30.7659 177.6240 42 N 4.5420 8.3998 115.5423 55.4006 38.1576 176.6228 43 N 4.4834 8.5991 116.7973 55.0820 39.0533 175.1048 44 M 4.2330 7.4255 115.8874 54.0818 33.2007 176.5483 45 E 3.6313 7.6029 117.6945 56.6537 28.8683 174.3668 46 K 3.5056 8.4326 118.4988 60.2985 31.9561 179.2736 47 K 3.6904 7.3162 118.8198 59.6847 31.7459 177.7824 48 E 3.5994 7.0830 118.2511 56.7825 29.2678 179.9709 49 K 2.0000 5.6600 118.8115 58.5766 32.7191 177.8390 50 L 3.8615 7.3455 118.9310 58.9842 42.1904 179.6702 51 M 4.0639 7.4610 117.8672 58.1984 31.8841 178.9443 52 W 4.4116 8.7146 119.6192 59.7361 29.0265 177.9646 53 I 3.7629 7.9701 120.0810 64.7673 36.4503 178.0631 54 K 3.4908 8.1404 119.5412 59.3653 31.8450 178.6690 55 K 4.1851 7.9073 119.9174 59.5104 32.1681 178.3244 56 A 4.2936 8.0313 119.1003 53.7386 18.6038 179.1346 57 A 3.8160 8.6612 120.2331 54.9450 18.9671 179.0663 58 E 4.0811 9.2880 119.1794 59.2751 29.6836 178.6053 59 D 4.5131 7.9220 119.2761 56.9060 41.0061 178.2679 60 Q 4.4750 8.8942 120.9170 59.1102 28.6185 178.6443 61 K 3.9444 7.7623 118.8242 59.3378 31.7704 179.1251 62 R 4.0258 8.2459 119.1546 59.2560 30.1704 177.8546 63 Y 4.3204 7.8747 117.4076 59.9019 38.3471 176.9679 64 E 2.9123 7.4458 121.2132 58.9683 29.6070 178.8948 65 R 3.9698 7.5315 116.3993 59.4374 29.9825 177.0752 66 E 4.2794 9.1339 121.0646 58.0065 29.1555 178.4000 67 L 3.9568 8.1713 119.4518 60.1115 40.5864 180.0338 68 S 3.8058 8.0065 113.8675 60.9025 62.3202 175.5232 69 E 3.8392 8.0235 121.7712 59.5213 29.3430 177.6900 70 M 4.2464 8.7326 117.3171 57.1699 32.5993 176.0593 71 R 4.5239 7.8352 117.5488 56.4733 31.4042 176.5156 72 A 4.7598 7.5349 115.3985 50.0477 19.1877 175.7290 73 P 4.2428 0.0000 0.0000 64.5282 31.5709 176.6648 74 P 4.7827 0.0000 0.0000 62.8186 31.6328 176.0591 75 A 4.6443 8.0836 118.8092 52.4686 19.7705 177.9281 76 A 4.6511 7.7619 119.3779 53.4703 19.9432 177.0448 77 T 4.2345 7.8407 116.4048 63.9409 72.6456 174.7102 78 N 4.5425 8.3716 118.1088 54.9897 39.3995 176.2656 79 S 4.3248 7.3651 108.1923 60.4966 62.7171 175.1698 80 S 4.1804 8.1689 116.0062 58.6834 63.0702 173.2390 81 K 3.9819 7.4510 110.6577 57.7589 31.0239 175.0599 82 K 4.3887 8.0135 127.7341 55.4304 29.7328 176.1864 83 L 4.2458 7.3682 121.6664 54.5129 45.5004 175.0995 *84 E 4.1630 8.7445 120.2543 56.2382 30.3597 174.0251 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 1 G 8.58 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 0.00 0.00 0.00 2 K 7.56 4.16 0.00 1.98 1.81 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.80 7.81 3 L 8.48 4.57 0.00 1.64 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.70 0.00 2.50 2.43 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 5 E 8.88 3.88 0.00 1.97 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 2.24 2.31 0.00 6 S 7.57 2.00 0.00 3.64 3.20 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 7 P 0.00 4.94 0.00 2.19 2.18 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 8 K 8.76 4.41 0.00 1.68 1.87 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.56 7.81 9 R 8.50 3.81 0.00 2.12 1.97 0.00 3.42 0.00 0.00 3.43 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 10 A 7.92 4.74 1.71 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 0.00 0.00 11 E 8.81 4.28 0.00 2.12 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 0.00 2.23 2.05 0.00 12 E 8.38 4.15 0.00 2.01 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 2.40 2.27 0.00 13 I 7.84 3.68 2.24 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 1.49 1.07 1.00 0.00 0.00 14 W 8.20 3.52 0.00 3.18 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 15 Q 8.26 4.07 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 16 Q 8.02 4.08 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 17 S 7.39 4.10 0.00 3.53 3.43 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 18 V 7.92 3.75 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 0.02 0.00 0.00 0.27 0.00 0.00 19 I 8.20 3.81 1.93 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 1.48 1.40 0.92 0.00 0.00 20 G 8.07 3.53 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 0.00 0.00 0.00 0.00 21 D 8.60 4.39 0.00 2.49 2.32 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 0.00 22 Y 7.67 4.16 0.00 3.15 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 23 L 9.01 4.24 0.00 1.91 1.73 0.94 0.77 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 24 A 7.65 3.95 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 25 R 7.50 3.85 0.00 2.02 2.15 0.00 3.16 0.00 0.00 3.51 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 26 F 8.08 5.00 0.00 2.86 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 27 K 9.04 3.65 0.00 1.76 1.57 0.00 1.79 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 N 8.68 4.59 0.00 2.71 2.84 0.00 0.00 6.79 8.43 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 29 D 9.04 4.89 0.00 3.04 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 30 R 7.76 4.03 0.00 1.97 1.86 0.00 3.35 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 31 V 8.21 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 32 K 8.03 4.09 0.00 1.87 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.36 7.81 33 A 9.12 3.93 1.45 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 0.00 0.00 0.00 34 L 8.49 3.91 0.00 1.82 1.66 0.91 0.64 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 35 K 7.47 3.83 0.00 2.00 1.80 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.57 7.81 36 A 7.96 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.35 4.43 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.27 3.58 0.00 38 E 8.04 3.84 0.00 2.16 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 2.09 1.94 0.00 39 M 8.43 4.00 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.73 0.00 40 T 7.55 4.24 4.55 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 0.00 0.00 0.00 1.42 0.00 0.00 41 W 8.01 4.33 0.00 3.14 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 42 N 8.40 4.54 0.00 2.91 2.90 0.00 0.00 7.21 7.07 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 43 N 8.60 4.48 0.00 2.75 2.87 0.00 0.00 7.16 7.68 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 44 M 7.43 4.23 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 45 E 7.60 3.63 0.00 2.10 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 2.13 2.13 0.00 46 K 8.43 3.51 0.00 1.65 1.70 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.31 7.81 47 K 7.32 3.69 0.00 1.93 1.62 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 48 E 7.08 3.60 0.00 1.16 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 0.00 0.00 0.00 2.60 2.15 0.00 49 K 5.66 2.00 0.00 0.90 0.74 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.62 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.57 7.81 50 L 7.35 3.86 0.00 1.69 1.52 0.87 0.89 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 51 M 7.46 4.06 0.00 2.09 2.28 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 2.67 2.64 0.00 52 W 8.71 4.41 0.00 3.37 3.27 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 53 I 7.97 3.76 2.04 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 1.48 1.16 0.97 0.00 0.00 54 K 8.14 3.49 0.00 1.86 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.54 7.81 55 K 7.91 4.19 0.00 2.12 1.95 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 56 A 8.03 4.29 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 3.82 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 58 E 9.29 4.08 0.00 2.25 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 2.33 2.37 0.00 59 D 7.92 4.51 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 60 Q 8.89 4.48 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.83 2.80 0.00 61 K 7.76 3.94 0.00 2.27 1.85 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 62 R 8.25 4.03 0.00 1.81 2.11 0.00 3.28 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 63 Y 7.87 4.32 0.00 3.29 3.23 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 64 E 7.45 2.91 0.00 1.81 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 0.00 2.12 1.92 0.00 65 R 7.53 3.97 0.00 1.97 1.87 0.00 3.19 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 66 E 9.13 4.28 0.00 2.14 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 2.59 2.68 0.00 67 L 8.17 3.96 0.00 1.93 2.01 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.01 3.81 0.00 4.04 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 69 E 8.02 3.84 0.00 2.22 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 2.34 2.53 0.00 70 M 8.73 4.25 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 71 R 7.84 4.52 0.00 1.81 1.91 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 72 A 7.53 4.76 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 73 P 0.00 4.24 0.00 2.05 2.14 0.00 3.67 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 2.09 0.00 74 P 0.00 4.78 0.00 2.21 2.24 0.00 3.54 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 2.02 1.94 0.00 75 A 8.08 4.64 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 76 A 7.76 4.65 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 77 T 7.84 4.23 4.24 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 1.21 0.00 0.00 78 N 8.37 4.54 0.00 2.71 2.90 0.00 0.00 6.83 7.57 0.00 0.00 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 S 7.37 4.32 0.00 4.04 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 80 S 8.17 4.18 0.00 3.92 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 81 K 7.45 3.98 0.00 2.00 1.89 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.53 7.81 82 K 8.01 4.39 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 83 L 7.37 4.25 0.00 1.54 1.48 0.92 0.97 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 E 8.74 4.16 0.00 1.77 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.