NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3708 8.3049 118.1960 54.5281 32.5115 174.6022 2 K 3.8085 8.4682 120.3615 56.3826 32.3675 174.6549 3 R 4.5268 8.2252 129.2211 56.2238 32.1144 175.9408 4 T 4.3092 8.5766 108.1012 62.4622 70.4965 174.1549 5 W 4.7813 8.1447 131.6488 56.2757 30.0673 175.1932 6 Q 4.1977 7.3418 125.5453 52.7037 28.4141 173.7084 7 P 3.4335 0.0000 0.0000 62.0751 32.5488 176.3574 8 N 4.5102 7.8513 115.7981 52.0065 42.5878 175.6395 9 R 4.0236 8.4211 126.9827 58.9016 30.5670 178.5498 10 R 3.8638 8.0127 118.1757 59.5570 29.8468 177.7295 11 K 3.9594 8.0847 118.4163 59.7268 32.0771 177.8971 12 R 3.9503 8.0092 118.3118 59.8179 29.8498 178.2927 13 A 4.0621 8.2912 120.1966 55.1782 18.2280 179.7204 14 K 3.9518 8.7446 117.2121 59.1507 32.1090 178.9550 15 T 4.2672 8.0000 109.0955 63.7422 69.6829 175.4970 16 H 4.7441 8.0566 116.2557 54.7227 29.1830 175.2585 17 G 3.9526 7.6656 110.3341 45.4532 0.0000 175.0124 18 F 4.0316 8.8930 120.4234 61.2391 39.1866 177.3147 19 R 4.1172 8.2981 115.8288 59.2752 30.1964 178.3882 20 A 4.1446 7.9946 119.8462 55.4091 18.1908 179.7377 21 R 3.8259 8.2597 116.9104 59.6965 29.0505 179.2999 22 M 3.9171 8.0045 118.4118 57.9285 31.5867 178.7041 23 R 3.9889 7.6289 118.6579 57.8613 30.8573 176.3355 24 T 4.6585 6.7225 109.2754 58.9231 69.9176 172.8615 25 P 4.4012 0.0000 0.0000 65.7975 30.9611 179.1195 26 G 3.6366 8.4479 106.1648 47.8665 0.0000 176.1015 27 G 3.7668 7.8806 109.3970 46.1455 0.0000 175.9402 28 R 3.8457 7.8428 120.7414 59.2859 30.1207 179.1564 29 K 3.9497 7.8250 118.3884 59.1123 31.9560 179.5608 30 V 3.5181 7.4855 118.2422 66.1165 31.4257 177.8589 31 L 3.9652 8.0448 118.8575 57.7331 41.3948 179.4996 32 K 3.8910 8.1884 119.5101 59.6158 32.1761 179.0511 33 R 3.8768 8.4574 118.4374 59.3759 30.0432 178.9348 34 R 3.9319 8.4507 118.2109 59.6971 30.1139 179.2786 35 R 3.9484 8.2281 117.4303 59.3571 30.0222 178.8197 36 Q 4.1229 8.3108 117.5981 58.1363 29.0751 177.2783 37 K 4.2298 8.4237 120.2146 57.2053 32.3547 177.0765 38 G 4.0394 7.9108 106.6593 45.4437 0.0000 173.7572 39 R 4.0586 7.6120 117.9278 55.8453 30.7370 177.4363 40 W 4.4704 8.7867 121.9781 59.8578 29.3981 177.0724 41 R 4.4602 7.9352 118.1298 54.9392 29.7271 176.7801 42 L 4.2768 8.6361 123.9773 57.1397 42.1087 177.2020 43 T 4.6221 7.6312 106.1173 59.4640 71.1175 171.3684 44 P 4.1799 0.0000 0.0000 63.3323 31.8902 175.8695 45 A 4.5965 8.2552 123.6895 51.0983 20.9496 177.5623 46 V 4.2813 7.7850 119.0702 62.0051 32.6587 176.2003 47 R 4.4712 8.5202 128.8820 55.9346 29.3971 177.0448 48 K 4.1546 8.6298 125.4387 56.7019 32.5142 175.4696 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 M 8.30 4.37 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.47 3.81 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.58 7.81 3 R 8.23 4.53 0.00 1.85 1.89 0.00 3.36 0.00 0.00 3.30 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 4 T 8.58 4.31 4.31 0.00 0.00 0.00 0.00 0.00 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 5 W 8.14 4.78 0.00 3.36 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 6 Q 7.34 4.20 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 7 P 0.00 3.43 0.00 1.95 2.02 0.00 3.47 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 8 N 7.85 4.51 0.00 2.62 2.44 0.00 0.00 7.07 7.65 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 9 R 8.42 4.02 0.00 1.91 1.97 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 10 R 8.01 3.86 0.00 1.86 1.94 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 11 K 8.08 3.96 0.00 1.96 1.97 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.56 7.81 12 R 8.01 3.95 0.00 2.18 2.13 0.00 3.40 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 13 A 8.29 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.95 0.00 1.74 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.62 7.81 15 T 8.00 4.27 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 1.24 0.00 0.00 16 H 8.06 4.74 0.00 3.18 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.67 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 18 F 8.89 4.03 0.00 3.22 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 19 R 8.30 4.12 0.00 1.90 2.07 0.00 3.68 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 20 A 7.99 4.14 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 21 R 8.26 3.83 0.00 1.66 2.01 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 22 M 8.00 3.92 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.80 0.00 23 R 7.63 3.99 0.00 2.01 2.08 0.00 3.20 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 24 T 6.72 4.66 4.23 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 1.19 0.00 0.00 25 P 0.00 4.40 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 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 0.00 0.00 0.00 28 R 7.84 3.85 0.00 2.02 1.95 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 29 K 7.83 3.95 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.58 7.81 30 V 7.49 3.52 2.23 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 1.02 0.00 0.00 0.96 0.00 0.00 31 L 8.04 3.97 0.00 1.84 1.68 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 3.89 0.00 1.99 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 8.46 3.88 0.00 1.97 1.96 0.00 3.21 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 1.65 1.82 0.00 34 R 8.45 3.93 0.00 2.02 2.05 0.00 3.29 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 1.80 2.02 0.00 35 R 8.23 3.95 0.00 2.09 2.00 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 36 Q 8.31 4.12 0.00 2.02 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 K 8.42 4.23 0.00 1.81 1.94 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 38 G 7.91 4.04 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 0.00 39 R 7.61 4.06 0.00 1.97 2.05 0.00 3.29 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 40 W 8.79 4.47 0.00 3.35 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.94 4.46 0.00 1.87 1.95 0.00 3.27 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 1.66 1.73 0.00 42 L 8.64 4.28 0.00 1.77 1.87 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.63 4.62 4.49 0.00 0.00 0.00 0.00 0.00 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 44 P 0.00 4.18 0.00 2.14 2.10 0.00 3.86 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 45 A 8.26 4.60 1.27 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 0.00 0.00 46 V 7.78 4.28 2.13 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 1.04 0.00 0.00 1.00 0.00 0.00 47 R 8.52 4.47 0.00 1.87 1.96 0.00 3.38 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 48 K 8.63 4.15 0.00 1.62 1.61 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81