NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8513 8.3544 109.7367 45.3424 0.0000 172.6105 2 S 3.9887 8.5997 116.2067 57.6501 62.8363 173.0232 3 S 4.3746 8.5036 116.3320 56.3701 64.3863 173.3114 4 G 3.9785 8.3753 117.4050 44.4768 0.0000 171.1093 5 S 4.4035 8.3731 118.4171 57.2285 65.2821 174.3010 6 S 4.5592 8.4836 118.7537 57.4094 65.5591 173.2592 7 G 3.8453 8.4860 109.4466 46.7632 0.0000 173.5152 8 T 4.3194 7.2930 111.3490 61.2827 69.8882 172.2637 9 K 4.6608 8.6129 120.7659 56.0723 32.9131 175.6266 10 E 4.5410 7.6035 115.8694 56.7072 32.4587 175.6291 11 K 4.0401 8.8023 122.2557 56.8973 29.8183 173.8515 12 P 4.4222 0.0000 0.0000 65.7658 32.2436 176.4926 13 Y 4.2985 8.3101 117.8723 57.5225 38.7126 174.7542 14 K 5.0071 8.4170 125.9268 54.4027 34.8692 174.8285 15 C 4.1347 9.1842 128.6422 59.7639 31.9065 173.7327 16 Y 4.5802 8.0687 124.3530 59.8839 38.0587 177.3608 17 E 4.1194 8.2997 119.7717 58.8691 29.9405 177.0996 18 C 4.5798 8.0942 110.4904 60.0301 31.5025 174.0848 19 G 3.9545 8.1285 107.1491 44.7847 0.0000 173.7603 20 K 4.3361 8.1477 120.4869 55.8457 33.8403 175.1902 21 A 5.1379 7.2414 120.9173 51.0345 22.6629 175.5959 22 F 4.6472 9.1117 115.6218 56.7165 43.5624 175.9736 23 R 3.9325 9.1511 122.9783 58.9415 30.0927 176.1748 24 T 4.1541 7.2765 104.6681 59.1363 71.9449 173.9602 25 R 4.1076 8.0189 119.5138 59.7724 30.1856 177.9598 26 S 3.9828 8.0246 112.5056 61.8456 61.9940 175.8250 27 N 4.2921 7.5069 116.7066 56.2593 38.8975 176.2497 28 L 2.0000 8.0599 122.4602 57.0709 42.2048 178.4179 29 T 3.7168 7.6013 114.9145 67.3903 68.2996 176.2074 30 T 3.7603 7.3394 115.6022 66.7950 68.6758 175.0134 31 H 4.5602 8.2928 119.5716 58.0916 30.3359 176.8507 32 Q 4.1895 8.0104 119.6053 58.1232 28.4467 178.5389 33 V 4.0027 8.0562 121.0171 65.2870 31.1404 177.6521 34 I 3.6691 7.4418 111.9593 63.7580 37.3093 177.1071 35 H 4.7637 8.1424 116.4373 55.2496 29.4280 175.0330 36 T 4.2346 7.5246 113.0731 60.3095 69.1905 175.2521 37 G 4.2422 8.4293 115.7824 44.4657 0.0000 171.3229 38 E 4.7202 7.9464 118.8954 53.6843 32.7335 175.7086 39 K 4.1754 8.6588 123.9172 59.7509 32.3696 177.6510 40 R 4.2831 7.6448 119.4335 54.3879 28.3886 175.4155 41 S 4.1830 8.2403 115.7793 58.4022 63.8840 176.0798 42 G 4.0599 8.2661 112.7640 44.2608 0.0000 172.0349 43 P 4.2037 0.0000 0.0000 64.7162 31.6611 176.5204 44 S 4.6878 7.1000 115.5133 56.8177 64.4534 174.4806 45 S 4.1475 8.6057 116.6057 62.4984 62.8485 174.6997 46 G 3.9694 8.3321 113.2054 45.2933 0.0000 173.3752 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 3.85 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 2 S 8.60 3.99 0.00 3.92 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 3 S 8.50 4.37 0.00 3.81 3.71 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 4 G 8.38 3.98 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 0.00 0.00 0.00 5 S 8.37 4.40 0.00 3.94 3.82 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 0.00 0.00 0.00 6 S 8.48 4.56 0.00 3.82 3.77 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 0.00 0.00 0.00 7 G 8.49 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 T 7.29 4.32 4.26 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 1.32 0.00 0.00 9 K 8.61 4.66 0.00 1.89 1.86 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.34 7.81 10 E 7.60 4.54 0.00 2.17 1.91 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 2.20 2.25 0.00 11 K 8.80 4.04 0.00 1.82 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.38 7.81 12 P 0.00 4.42 0.00 2.41 2.29 0.00 4.07 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 13 Y 8.31 4.30 0.00 3.26 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 14 K 8.42 5.01 0.00 1.78 1.76 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 15 C 9.18 4.13 0.00 3.34 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 16 Y 8.07 4.58 0.00 3.03 2.89 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 0.00 0.00 0.00 0.00 17 E 8.30 4.12 0.00 1.60 1.55 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 2.30 2.35 0.00 18 C 8.09 4.58 0.00 3.14 3.17 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 19 G 8.13 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.15 4.34 0.00 1.78 1.32 0.00 1.33 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.32 7.81 21 A 7.24 5.14 1.01 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 22 F 9.11 4.65 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.15 3.93 0.00 1.74 1.97 0.00 3.23 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 24 T 7.28 4.15 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 1.10 0.00 0.00 25 R 8.02 4.11 0.00 1.97 1.97 0.00 3.41 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.83 0.00 26 S 8.02 3.98 0.00 3.87 3.82 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 0.00 0.00 0.00 27 N 7.51 4.29 0.00 2.79 2.91 0.00 0.00 7.28 7.71 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 28 L 8.06 2.00 0.00 1.57 1.76 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.60 3.72 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 1.16 0.00 0.00 30 T 7.34 3.76 4.20 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 1.19 0.00 0.00 31 H 8.29 4.56 0.00 3.27 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.01 4.19 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.41 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 33 V 8.06 4.00 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 1.26 0.00 0.00 0.95 0.00 0.00 34 I 7.44 3.67 1.73 0.00 0.00 0.63 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 0.03 0.83 0.00 0.00 35 H 8.14 4.76 0.00 3.49 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.52 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 1.25 0.00 0.00 37 G 8.43 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 0.00 0.00 0.00 0.00 38 E 7.95 4.72 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 39 K 8.66 4.18 0.00 1.75 1.83 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.52 7.81 40 R 7.64 4.28 0.00 1.84 1.88 0.00 3.44 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 41 S 8.24 4.18 0.00 3.97 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 42 G 8.27 4.06 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 0.00 43 P 0.00 4.20 0.00 2.19 2.19 0.00 3.76 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 1.99 1.98 0.00 44 S 7.10 4.69 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.61 4.15 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.33 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 0.00 0.00 0.00