NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3872 8.1127 119.6561 56.1791 32.4216 173.4723 5 E 4.7285 8.3464 119.7338 53.2117 32.6581 173.1963 6 C 4.1976 9.8086 127.6783 59.7421 32.6851 173.5548 7 D 4.4148 8.5462 124.8845 55.3389 39.6398 175.3519 8 Y 4.4564 7.6104 118.0166 58.7150 41.1914 176.3309 9 C 4.0798 8.2223 113.7003 58.3902 30.7306 175.4005 10 G 3.9391 8.3176 108.0165 45.2965 0.0000 173.3046 11 T 4.4957 7.3513 109.8682 60.5824 70.7774 173.2291 12 D 4.9156 8.4760 122.0550 54.2242 41.7175 176.7400 13 I 4.0920 8.2123 124.8334 59.9855 37.3528 175.3693 14 E 3.8218 8.9727 128.8917 55.6054 29.6277 174.6611 15 P 4.2768 0.0000 0.0000 64.7098 31.4398 176.0775 16 G 3.8888 9.5187 107.6684 46.4263 0.0000 172.8151 17 T 4.5488 7.2827 114.2347 62.5626 72.7660 174.4438 18 G 4.1664 8.9135 108.1207 45.9273 0.0000 172.6489 19 T 4.8549 8.2828 113.7081 61.7589 72.9719 172.9271 20 M 5.1074 8.7592 123.3357 53.7862 34.9451 174.3961 21 F 4.9146 9.4845 129.1761 56.5067 41.4495 174.7431 22 V 4.0919 8.0225 127.5264 62.1795 31.6246 175.5453 23 H 3.8441 8.3351 125.6317 54.9606 29.2473 176.4144 24 K 3.8705 8.5718 121.6120 59.8803 31.9536 177.5883 25 D 4.4037 8.1170 117.4461 55.5782 39.1801 176.1474 26 G 3.3685 7.6470 107.8355 44.8993 0.0000 173.5228 27 A 4.2010 9.4399 124.4388 52.9433 19.8699 176.7475 28 T 4.9109 8.2054 114.4252 62.6111 72.4855 173.9024 29 T 4.6877 8.8731 123.5054 62.0527 71.5065 173.0382 30 H 5.1167 10.1419 125.4502 54.9736 30.6013 174.5479 31 F 5.3014 9.3512 121.3352 55.9123 41.9330 176.1174 32 C 4.3789 9.1749 116.8054 60.0300 30.3574 173.4136 33 S 4.5760 7.5208 114.5114 56.4845 66.0882 176.0743 34 S 4.6953 8.2960 117.6904 61.0460 62.8692 175.9057 35 K 3.7501 8.0576 123.4505 59.4301 31.7030 177.9433 36 C 4.1889 7.7322 115.5067 62.9274 28.1856 175.5919 37 E 2.8508 7.4901 120.1881 59.4412 29.0787 179.4951 38 N 4.2040 8.5407 116.4090 56.3731 38.5941 177.3167 39 N 4.4178 8.2025 117.6594 56.1087 38.5816 177.3463 40 A 4.3076 7.7794 122.3084 55.4605 18.3046 179.4978 41 D 4.4198 7.8860 115.9102 57.0458 40.8532 178.1513 42 L 4.3860 7.4668 116.7360 54.3501 41.5363 177.1446 43 G 3.9593 8.1221 107.1224 46.4870 0.0000 174.0094 44 R 4.5073 7.7585 117.4927 54.6224 31.5706 175.8482 45 E 4.5110 8.4910 120.7041 54.4296 31.3826 176.8287 46 A 3.4344 8.1536 126.6707 55.3009 18.4019 179.6971 47 R 3.8084 7.7419 113.3421 59.0176 30.1512 177.2060 48 N 4.5349 8.2525 113.1437 53.1651 39.2743 174.6799 49 L 4.4668 7.2923 119.7703 52.6750 42.3246 177.1089 50 E 3.9607 8.8818 124.7185 58.9249 29.5358 178.5907 51 W 4.4502 7.6287 113.9282 58.1842 29.1462 176.8208 52 T 3.7149 6.9084 117.8604 63.2218 68.3635 174.9048 53 D 4.3855 8.8734 126.0313 57.8909 40.8705 178.4173 54 T 3.7433 7.3821 114.3832 66.7595 68.8478 174.9337 55 A 4.0070 7.8510 123.6451 55.4131 18.6034 177.6253 56 R 4.0827 8.2659 118.1456 56.5794 30.0385 176.4974 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 4 R 8.11 4.39 0.00 1.77 1.89 0.00 2.98 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.35 4.73 0.00 1.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 6 C 9.81 4.20 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.41 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.61 4.46 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 4.08 0.00 3.21 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 11 T 7.35 4.50 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 1.37 0.00 0.00 12 D 8.48 4.92 0.00 2.61 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 4.09 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.97 0.00 0.00 14 E 8.97 3.82 0.00 2.06 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 2.40 2.41 0.00 15 P 0.00 4.28 0.00 2.22 2.08 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.52 3.89 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 0.00 0.00 0.00 17 T 7.28 4.55 4.57 0.00 0.00 0.00 0.00 0.00 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 18 G 8.91 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 0.00 0.00 0.00 19 T 8.28 4.85 4.34 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 1.28 0.00 0.00 20 M 8.76 5.11 0.00 1.97 1.81 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 2.08 2.41 0.00 21 F 9.48 4.91 0.00 3.21 3.23 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 0.00 22 V 8.02 4.09 1.90 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 0.76 0.00 0.00 0.86 0.00 0.00 23 H 8.34 3.84 0.00 3.30 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.57 3.87 0.00 1.74 1.86 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 8.12 4.40 0.00 2.81 2.81 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 26 G 7.65 3.37 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 0.00 27 A 9.44 4.20 1.14 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 0.00 0.00 28 T 8.21 4.91 4.25 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 0.00 0.00 0.00 1.20 0.00 0.00 29 T 8.87 4.69 4.43 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 0.00 0.00 0.00 0.67 0.00 0.00 30 H 10.14 5.12 0.00 3.13 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.35 5.30 0.00 2.99 3.06 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 32 C 9.17 4.38 0.00 3.16 3.16 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 0.00 33 S 7.52 4.58 0.00 4.02 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 34 S 8.30 4.70 0.00 3.97 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 35 K 8.06 3.75 0.00 1.74 1.85 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 C 7.73 4.19 0.00 3.49 3.12 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 37 E 7.49 2.85 0.00 1.68 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.07 0.00 38 N 8.54 4.20 0.00 2.73 2.78 0.00 0.00 7.10 7.53 0.00 0.00 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 N 8.20 4.42 0.00 3.06 3.15 0.00 0.00 6.93 7.13 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 40 A 7.78 4.31 1.23 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 0.00 0.00 0.00 41 D 7.89 4.42 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.39 0.00 1.93 1.73 0.95 0.79 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 43 G 8.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.76 4.51 0.00 2.17 1.99 0.00 3.28 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 45 E 8.49 4.51 0.00 1.97 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 2.35 2.29 0.00 46 A 8.15 3.43 0.55 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 0.00 0.00 0.00 0.00 0.00 47 R 7.74 3.81 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 48 N 8.25 4.53 0.00 2.64 2.82 0.00 0.00 6.93 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.29 4.47 0.00 1.03 1.02 1.14 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.88 3.96 0.00 2.02 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 0.00 2.31 2.32 0.00 51 W 7.63 4.45 0.00 3.60 3.24 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 52 T 6.91 3.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 53 D 8.87 4.39 0.00 2.94 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 54 T 7.38 3.74 4.01 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 1.06 0.00 0.00 55 A 7.85 4.01 1.24 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 56 R 8.27 4.08 0.00 1.94 1.85 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00