NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9038 8.3544 109.7362 45.1040 0.0000 172.7048 2 S 4.1371 8.3570 113.8551 57.2038 62.9046 171.4481 3 S 4.6107 7.6948 118.6079 57.6577 66.3671 175.2603 4 G 4.0667 7.5921 112.9557 46.4377 0.0000 172.1424 5 S 4.7005 8.8012 117.0778 56.2626 64.8970 173.7624 6 S 4.5156 8.2341 120.9100 57.1833 65.0466 174.9376 7 G 3.8502 8.7617 117.2329 45.2965 0.0000 172.5123 8 V 3.8845 8.1039 118.9840 61.6220 31.6505 174.0681 9 N 4.9282 8.3739 116.2808 51.5689 41.7297 175.8871 10 Q 3.9823 9.0286 124.8283 59.8400 28.7932 177.8487 11 Q 3.9026 8.2757 117.7220 60.1803 28.8700 178.8036 12 Q 4.1555 8.0008 117.3808 59.6332 29.0997 178.2798 13 L 3.8589 7.8524 120.2663 58.8677 41.9162 178.5666 14 Q 3.9809 9.5070 119.4067 59.4862 28.9613 178.6602 15 Q 3.9954 8.6218 118.6226 59.3905 29.0743 179.4314 16 L 4.2694 8.7423 119.5777 58.3690 41.7205 179.3221 17 M 4.1157 8.9726 119.3125 58.8074 31.6407 178.6519 18 D 4.2758 8.5488 117.5406 57.7279 41.5811 177.7378 19 M 4.0117 7.9763 118.3511 56.7573 33.2531 176.7721 20 G 4.1223 7.0482 108.2813 46.2776 0.0000 171.5495 21 F 5.2426 7.5262 117.4100 55.8683 43.7631 174.4988 22 T 4.6523 8.4070 111.0374 60.3692 71.0878 174.8159 23 R 3.8659 8.7715 124.7876 59.9847 29.9545 177.4008 24 E 3.9577 8.3616 118.1103 60.0490 29.0627 178.2152 25 H 4.1218 8.3591 117.3023 59.2920 30.1591 176.8650 26 A 3.9339 8.6107 122.7898 56.1617 18.0254 179.0051 27 M 3.8257 8.7032 116.5137 58.6914 31.7729 178.3774 28 E 3.7175 8.1887 118.4451 59.9698 29.3565 178.4074 29 A 2.0000 8.4115 120.2634 54.8414 17.9096 179.1414 30 L 4.1946 7.5940 117.9069 57.0781 42.0482 179.4988 31 L 4.0065 7.7312 117.8819 58.2644 41.7579 179.2539 32 N 4.4101 8.6904 115.4956 58.3172 39.3151 177.2066 33 T 4.2843 8.9275 112.2554 61.6911 71.2601 173.4109 34 S 4.2656 8.3278 112.4040 60.5784 67.6046 174.3663 35 T 4.4349 7.5062 107.6853 60.1246 70.8172 175.0241 36 M 4.1118 8.5162 120.0773 59.0389 32.2184 177.2558 37 E 3.8592 8.3047 117.7977 59.9112 29.6669 179.2200 38 Q 3.9420 7.7818 116.5128 59.2858 28.9140 179.4067 39 A 3.9340 7.8401 121.2830 55.8470 17.9495 179.3607 40 T 3.8857 7.8156 113.5557 67.2856 68.5322 175.5466 41 E 3.9014 8.4134 119.9074 59.8109 29.2813 177.9527 42 Y 4.2441 7.9047 119.9960 60.3962 39.1432 178.4606 43 L 3.8821 8.1702 119.4943 57.6575 41.4157 179.4448 44 L 4.3602 8.8454 118.6955 57.4602 41.7055 178.7469 45 T 4.4100 8.5923 109.0137 61.8235 70.1384 173.8728 46 H 4.8008 8.1849 121.5669 53.8746 30.1680 171.0185 47 P 4.6850 0.0000 0.0000 62.5180 31.3320 177.2093 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 8.35 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 2 S 8.36 4.14 0.00 3.92 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 3 S 7.69 4.61 0.00 3.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.59 4.07 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 0.00 0.00 0.00 5 S 8.80 4.70 0.00 3.79 3.70 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 6 S 8.23 4.52 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.10 3.88 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 0.78 0.00 0.00 0.88 0.00 0.00 9 N 8.37 4.93 0.00 2.66 2.62 0.00 0.00 6.93 6.77 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 10 Q 9.03 3.98 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.50 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 11 Q 8.28 3.90 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 12 Q 8.00 4.16 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 13 L 7.85 3.86 0.00 1.76 1.79 0.92 0.73 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 14 Q 9.51 3.98 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 15 Q 8.62 4.00 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 16 L 8.74 4.27 0.00 1.89 2.02 0.93 1.31 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 17 M 8.97 4.12 0.00 2.03 2.42 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.83 0.00 18 D 8.55 4.28 0.00 2.94 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 19 M 7.98 4.01 0.00 1.69 2.14 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 2.69 2.56 0.00 20 G 7.05 4.12 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 0.00 0.00 0.00 21 F 7.53 5.24 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.41 4.65 4.30 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 0.00 0.00 0.00 1.31 0.00 0.00 23 R 8.77 3.87 0.00 1.92 2.02 0.00 3.21 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 24 E 8.36 3.96 0.00 2.10 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 0.00 2.40 2.40 0.00 25 H 8.36 4.12 0.00 3.17 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.61 3.93 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 27 M 8.70 3.83 0.00 1.95 2.39 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 2.61 2.68 0.00 28 E 8.19 3.72 0.00 2.05 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 2.41 2.31 0.00 29 A 8.41 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.59 4.19 0.00 1.66 1.67 0.91 0.71 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 31 L 7.73 4.01 0.00 1.64 1.69 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.69 4.41 0.00 2.44 2.86 0.00 0.00 7.22 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 33 T 8.93 4.28 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 1.20 0.00 0.00 34 S 8.33 4.27 0.00 3.80 3.85 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 0.00 0.00 0.00 35 T 7.51 4.43 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 36 M 8.52 4.11 0.00 2.11 2.10 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 2.68 2.65 0.00 37 E 8.30 3.86 0.00 2.02 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 2.43 2.40 0.00 38 Q 7.78 3.94 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 39 A 7.84 3.93 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 40 T 7.82 3.89 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 1.32 0.00 0.00 41 E 8.41 3.90 0.00 2.06 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 2.40 2.42 0.00 42 Y 7.90 4.24 0.00 2.97 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 43 L 8.17 3.88 0.00 1.44 0.13 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.85 4.36 0.00 1.86 1.80 1.01 1.01 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 45 T 8.59 4.41 4.14 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 1.24 0.00 0.00 46 H 8.18 4.80 0.00 2.84 2.61 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.69 0.00 2.28 2.13 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00