NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8263 8.4449 116.3380 55.2384 30.0124 173.0968 2 V 4.2800 7.3704 111.0476 60.0480 35.5972 174.2126 3 D 4.5621 9.3241 125.2560 53.9707 42.6609 177.3525 4 K 3.8638 8.7790 123.6269 59.4783 32.5684 179.3679 5 K 4.1006 8.0566 119.0951 59.4024 31.6788 178.7577 6 V 3.5503 7.4521 118.2214 65.7436 31.3240 177.8130 7 A 4.0038 7.7396 120.3028 55.2307 18.2025 179.3008 8 D 4.2823 7.9516 116.7973 57.5382 40.8404 178.9330 9 K 4.1958 8.1391 116.9472 58.0636 32.1082 177.3658 10 V 4.1840 7.2659 116.7699 64.1670 33.5642 177.3095 11 L 3.9063 8.5847 121.1995 58.2273 41.7383 178.8942 12 L 4.0021 7.6899 116.8794 57.4872 42.1960 178.5270 13 L 4.0916 8.4561 120.5699 58.3642 42.0529 179.2298 14 K 4.0920 7.9214 117.5911 58.8163 32.0313 178.8638 15 Q 4.0610 7.7394 120.3501 59.1905 27.3855 178.4389 16 L 3.9618 7.5006 119.5439 57.8434 41.7034 179.4496 17 R 4.3221 7.8584 114.6091 58.3570 30.0212 178.5104 18 I 3.6758 8.0672 121.1389 64.6246 37.0365 178.0172 19 M 4.0856 8.6117 119.6956 58.5728 31.7260 179.0625 20 R 3.9148 7.3717 115.6481 59.1999 30.0255 178.9142 21 L 3.9905 7.7968 119.0777 57.9299 42.1319 178.8354 22 L 4.1404 8.2048 118.7241 58.1239 41.7546 179.3142 23 T 3.9325 8.0768 108.6752 62.6506 69.4103 174.5045 24 R 3.8599 8.3491 118.9830 56.8238 27.7756 176.0879 25 L 4.1758 7.8677 121.7904 56.0731 40.6565 176.8125 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 H 8.44 4.83 0.00 3.27 3.43 0.00 5.44 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.37 4.28 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 0.67 0.00 0.00 0.88 0.00 0.00 3 D 9.32 4.56 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 3.86 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.42 7.81 5 K 8.06 4.10 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 6 V 7.45 3.55 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 7 A 7.74 4.00 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 8 D 7.95 4.28 0.00 2.96 2.73 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 0.00 0.00 0.00 9 K 8.14 4.20 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.59 7.81 10 V 7.27 4.18 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 0.92 0.00 0.00 0.98 0.00 0.00 11 L 8.58 3.91 0.00 1.75 1.84 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.69 4.00 0.00 1.83 1.70 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.46 4.09 0.00 1.81 1.70 0.94 0.82 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 14 K 7.92 4.09 0.00 2.02 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 15 Q 7.74 4.06 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 16 L 7.50 3.96 0.00 1.86 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.86 4.32 0.00 2.03 2.17 0.00 2.97 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 18 I 8.07 3.68 2.01 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 1.52 0.64 0.91 0.00 0.00 19 M 8.61 4.09 0.00 2.00 2.12 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 2.80 2.59 0.00 20 R 7.37 3.91 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 21 L 7.80 3.99 0.00 1.62 1.87 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.20 4.14 0.00 1.75 1.71 0.92 0.92 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 23 T 8.08 3.93 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 1.24 0.00 0.00 24 R 8.35 3.86 0.00 1.96 2.07 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.86 0.00 25 L 7.87 4.18 0.00 1.75 1.65 0.92 0.66 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