NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 K 4.3939 8.2993 120.1368 56.0278 34.1704 175.7906 -6 S 4.5268 7.6138 111.4954 55.5742 66.4564 174.7001 -5 S 4.2587 8.4077 117.2120 61.4998 63.6773 176.8328 -4 H 4.1137 8.2303 121.4182 59.4432 29.6605 177.2254 -3 T 3.8256 7.7658 116.9053 66.4164 68.3308 176.0684 -2 L 3.9065 8.3946 122.5458 58.1090 42.0941 178.6782 -1 K 3.8202 7.9826 119.2947 60.1350 32.0247 178.6516 0 T 3.8341 7.9609 115.4515 66.6482 68.2414 176.5292 1 A 4.0435 8.1003 122.6602 55.1898 18.4253 179.5073 2 N 4.3268 8.4721 115.2505 56.4137 38.6085 177.8364 3 S 4.1257 8.2728 116.7030 61.6341 62.8571 175.7516 4 Y 4.0678 8.2167 122.3422 61.3378 38.4036 178.2466 5 T 3.8071 8.2109 116.4989 66.9877 68.5777 176.1713 6 D 4.2829 8.1340 120.4474 57.4257 41.0411 179.2908 7 V 3.5808 7.5995 119.6277 65.0432 31.3747 178.5544 8 T 3.6590 7.7801 116.5911 66.1598 68.1574 176.9925 9 V 3.5414 8.0316 120.8467 65.9531 31.6074 178.2491 10 S 4.1148 8.1457 114.1204 61.6092 62.7940 176.1952 11 N 4.3289 8.0701 119.8493 55.9675 38.1086 177.3341 12 S 4.1565 7.8172 114.2901 61.3682 62.4874 176.1639 13 T 3.8411 8.2322 118.9318 66.5492 68.1450 176.5889 14 K 3.9039 8.0466 120.1396 59.3337 32.1554 178.8824 15 K 3.7801 8.4117 120.0834 59.8002 31.9737 178.3102 16 A 3.9670 8.2759 120.7856 55.1624 18.2643 179.5781 17 I 3.6154 7.8377 118.2574 64.6309 37.1459 178.5309 18 R 3.9310 8.0707 118.9444 59.7548 29.9433 178.9792 19 E 4.0059 8.2490 117.8770 59.3557 29.3810 179.6384 20 S 4.1301 8.2741 115.3198 61.6985 62.9302 176.3066 21 N 4.3169 8.5237 119.6052 56.4059 38.2610 177.1270 22 Q 3.8718 8.3662 121.0393 59.3908 29.2345 177.8397 23 Y 4.1094 8.2823 120.5428 61.0526 38.6307 178.0824 24 T 3.9350 8.2131 116.0986 66.7434 68.6140 176.0944 25 D 4.4679 7.8983 119.9443 57.5221 40.8556 178.1640 26 H 4.4601 7.9205 115.9202 58.6799 28.8490 178.4507 27 K 4.1088 7.3438 118.0381 56.9457 32.3573 177.8326 22 H 4.2618 8.4662 119.4393 58.6908 28.8345 175.9397 23 Q 3.8994 8.4823 120.0428 58.8526 30.2307 178.1824 24 L 3.9250 8.2231 124.2986 60.0434 41.2140 178.9944 25 E 4.1779 7.9783 119.7443 59.9221 29.6556 178.4640 26 N 4.4701 7.9005 116.4202 56.7799 38.7490 179.5507 27 R 4.1288 7.2838 118.1381 56.7457 30.1573 177.5325 35 L 4.1011 7.8407 119.6964 58.0694 42.1270 178.3073 36 D 4.3950 8.0321 118.5578 57.3913 40.7952 178.8384 37 K 4.0077 7.8600 118.4057 59.2648 32.1446 179.2962 38 L 3.9881 7.8163 118.7838 57.9898 41.5995 179.3065 39 E 4.0134 8.2646 118.4348 59.2360 29.2529 179.5758 40 K 3.9640 8.1588 118.7249 59.5835 32.0696 179.6316 41 R 3.9607 8.1313 118.3742 58.8967 29.8747 178.8238 42 L 3.9459 8.0642 120.3089 58.0036 41.8673 179.0664 43 L 3.9560 7.9369 118.0056 57.7203 41.6860 179.1128 44 K 4.0103 8.0426 117.3094 59.5300 32.1372 178.4520 45 L 4.0810 7.7478 118.8472 58.3595 42.0892 177.3334 46 L 4.2685 7.9496 121.7009 55.3020 41.8353 176.9679 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 -7 K 8.30 4.39 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 -6 S 7.61 4.53 0.00 4.03 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 -5 S 8.41 4.26 0.00 4.08 4.17 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 0.00 0.00 0.00 0.00 -4 H 8.23 4.11 0.00 3.26 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 7.77 3.83 4.39 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 1.20 0.00 0.00 -2 L 8.39 3.91 0.00 1.70 1.67 1.01 0.63 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 -1 K 7.98 3.82 0.00 1.91 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.49 7.81 0 T 7.96 3.83 4.18 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 1.19 0.00 0.00 1 A 8.10 4.04 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 2 N 8.47 4.33 0.00 2.90 2.88 0.00 0.00 7.01 7.34 0.00 0.00 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 8.27 4.13 0.00 4.04 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 4 Y 8.22 4.07 0.00 3.04 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 5 T 8.21 3.81 4.47 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 1.20 0.00 0.00 6 D 8.13 4.28 0.00 2.85 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 7 V 7.60 3.58 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 0.87 0.00 0.00 8 T 7.78 3.66 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 1.04 0.00 0.00 9 V 8.03 3.54 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 1.09 0.00 0.00 0.94 0.00 0.00 10 S 8.15 4.11 0.00 4.06 4.08 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 11 N 8.07 4.33 0.00 2.91 2.87 0.00 0.00 6.66 7.34 0.00 0.00 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 S 7.82 4.16 0.00 3.85 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 13 T 8.23 3.84 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 1.20 0.00 0.00 14 K 8.05 3.90 0.00 1.95 1.84 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 15 K 8.41 3.78 0.00 1.88 1.95 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.49 7.81 16 A 8.28 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.84 3.62 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.91 0.00 0.00 18 R 8.07 3.93 0.00 2.02 2.01 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 19 E 8.25 4.01 0.00 2.02 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 2.52 0.00 20 S 8.27 4.13 0.00 3.94 3.91 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 21 N 8.52 4.32 0.00 2.74 2.88 0.00 0.00 6.70 7.06 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 22 Q 8.37 3.87 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 23 Y 8.28 4.11 0.00 3.11 3.14 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 0.00 0.00 0.00 0.00 24 T 8.21 3.94 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 1.23 0.00 0.00 25 D 7.90 4.47 0.00 2.72 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 H 7.92 4.46 0.00 3.14 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.34 4.11 0.00 1.77 1.74 0.00 1.58 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.29 7.81 22 H 8.47 4.26 0.00 3.48 3.44 0.00 7.04 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.48 3.90 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 L 8.22 3.93 0.00 1.64 1.54 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.98 4.18 0.00 2.06 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 2.34 2.49 0.00 26 N 7.90 4.47 0.00 2.68 2.80 0.00 0.00 7.09 7.22 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 27 R 7.28 4.13 0.00 1.79 1.75 0.00 3.10 0.00 0.00 2.88 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 35 L 7.84 4.10 0.00 1.79 1.64 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.03 4.39 0.00 2.93 2.71 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 37 K 7.86 4.01 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 38 L 7.82 3.99 0.00 1.81 1.71 0.92 0.97 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 39 E 8.26 4.01 0.00 2.02 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 2.33 2.60 0.00 40 K 8.16 3.96 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 41 R 8.13 3.96 0.00 2.04 1.97 0.00 3.13 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 42 L 8.06 3.95 0.00 1.76 1.81 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.94 3.96 0.00 1.82 1.71 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.04 4.01 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 L 7.75 4.08 0.00 1.74 1.97 0.92 0.92 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 46 L 7.95 4.27 0.00 1.84 1.59 0.92 1.07 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