NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0276 8.2516 118.1432 55.8636 31.4836 173.3989 2 M 4.0275 8.8707 124.2320 54.8994 33.9031 174.0263 3 K 4.3831 9.2455 128.0431 55.7542 34.0989 175.6836 4 I 4.7781 8.2602 126.4760 59.2824 40.4873 174.4169 5 Q 5.0904 8.8700 125.8509 53.3955 30.9475 174.5555 6 I 4.5173 8.0435 118.0159 59.3745 39.4108 174.0002 7 Y 4.5300 9.4235 126.7222 57.3055 38.6705 174.3621 8 G 3.6723 10.6716 117.0302 44.7306 0.0000 173.0287 9 T 3.5800 7.4630 119.3466 63.6094 68.7948 175.1974 10 G 3.6853 8.0730 109.2931 47.1316 0.0000 174.2643 11 C 3.9777 9.3119 124.5042 61.6546 32.8216 172.7422 12 A 4.3207 7.6177 122.3435 51.7105 18.6020 177.3488 13 N 4.6352 8.7784 120.0759 53.8887 38.6809 176.9077 14 C 4.0467 8.0582 120.0602 61.4399 29.1833 175.3495 15 Q 3.9687 8.2987 119.7529 59.9141 27.6132 178.7304 16 M 4.0699 8.2400 120.6704 58.3368 32.0377 178.3753 17 L 4.0659 7.7875 119.6888 57.3564 42.2581 178.5354 18 E 3.8290 8.3185 120.2194 59.2075 29.6228 178.7092 19 K 3.7406 7.6174 119.5170 59.4501 32.3586 178.3581 20 N 4.4458 8.0458 117.3780 55.7713 38.5164 177.0856 21 A 4.0777 8.4007 122.2713 55.3388 18.3270 179.8497 22 R 3.4444 6.9809 116.6806 59.0533 30.1365 179.2072 23 E 3.9246 7.9846 117.0418 59.2991 29.6983 178.9884 24 A 4.0769 8.4272 122.7415 54.5611 18.0031 179.6211 25 V 3.8078 8.2898 118.0490 65.2419 31.3325 178.5397 26 K 4.2332 7.8422 122.4740 58.0690 31.8613 178.2952 27 E 3.9239 8.4925 118.8662 59.4584 29.7000 178.5991 28 L 4.1416 8.4554 118.4861 55.9133 41.9846 177.4573 29 G 4.2154 8.0465 108.7224 45.2474 0.0000 174.4644 30 I 3.9861 7.5306 107.6883 59.6410 41.0842 173.7046 31 D 4.8712 8.4962 127.1777 54.6006 42.7001 174.1695 32 A 4.9254 8.3191 122.2988 50.7020 23.3877 175.2277 33 E 4.4996 8.7924 117.2764 54.9854 32.8866 175.8304 34 F 5.3102 9.0999 124.4620 55.3270 40.1094 175.0554 35 E 4.7117 8.4738 125.0845 54.0271 32.3498 175.0455 36 K 4.4296 8.7378 126.3880 55.8414 33.1122 177.3252 37 I 4.4249 7.7940 117.6936 59.0774 35.9339 177.0152 38 K 4.4330 7.9038 127.2046 55.0014 30.9063 176.2927 39 E 5.2292 7.9931 124.7976 55.7091 33.3820 177.7585 40 M 4.1141 8.3609 123.0632 58.6542 30.5330 178.0300 41 D 4.2202 8.2412 119.4367 57.5752 40.8958 178.5389 42 Q 4.1690 8.5180 118.2226 58.2212 29.0682 178.3518 43 I 2.3570 7.6068 120.6520 63.9690 37.0615 178.2212 44 L 3.8912 8.3534 120.3053 58.8138 40.1208 178.4703 45 E 3.9830 7.3243 118.9887 59.0807 29.5824 178.4203 46 A 4.1258 7.1671 119.7588 53.4177 18.4109 178.4774 47 G 3.7301 7.5983 103.8320 45.7838 0.0000 174.7639 48 L 3.5816 7.6340 115.9383 56.9536 39.8161 177.0375 49 T 4.1763 7.4542 127.4281 62.8555 67.6446 171.3129 50 A 4.9659 7.1580 123.9453 50.4459 21.8368 174.7583 51 L 4.1831 8.4539 114.7738 57.6191 42.6199 177.2072 52 P 4.9110 0.0000 0.0000 61.6757 29.8995 176.9581 53 G 4.5192 7.7532 106.9179 45.7352 0.0000 173.1410 54 L 5.9813 8.7886 122.1569 51.9756 45.8874 174.9843 55 A 4.7358 8.8187 126.5843 50.4796 21.1078 175.6962 56 V 4.6377 8.2351 116.0196 60.4184 34.8080 175.8382 57 D 4.4381 9.7746 123.1969 55.1718 39.0484 173.8953 58 G 3.7718 9.0989 103.5340 46.2619 0.0000 175.0564 59 E 4.4409 8.5223 121.0477 54.2455 31.5669 174.7360 60 L 4.4492 8.3300 123.9537 55.1602 42.1419 177.9496 61 K 4.6622 8.4659 118.9928 56.0788 35.5428 176.2427 62 I 4.6733 7.5959 120.2462 59.7605 40.4115 174.1873 63 M 4.8734 8.4185 123.9654 55.1597 35.6434 175.9019 64 G 3.8767 9.4202 111.2891 44.8861 0.0000 173.0262 65 R 4.4658 7.0468 116.1004 55.2208 33.2605 174.2895 66 V 3.6497 8.5460 125.7255 61.4440 31.8119 176.0259 67 A 4.1443 8.4315 125.5971 52.4621 19.1430 176.7009 68 S 4.7425 8.0313 113.4350 56.4892 65.9890 174.0375 69 K 3.9761 8.3799 121.5555 59.9561 31.9450 178.5017 70 E 4.0012 8.2628 118.1811 59.6900 29.3049 179.2518 71 E 4.0139 7.8909 117.0942 59.2602 29.3760 179.4376 72 I 3.7000 7.7367 119.8554 64.4150 37.2768 178.3922 73 K 3.9077 8.0349 119.8811 59.4402 31.7833 178.5019 74 K 4.0423 8.0316 119.2090 59.2421 32.1636 178.6348 75 I 3.9359 7.6867 119.7644 64.0175 37.1473 177.7315 76 L 4.0007 8.2328 120.8806 55.8209 42.0049 176.5526 77 S 4.0442 7.9644 117.3963 58.6756 63.9282 171.1794 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 8.25 5.03 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 2 M 8.87 4.03 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 3 K 9.25 4.38 0.00 1.72 1.64 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.47 1.34 7.81 4 I 8.26 4.78 0.56 0.00 0.00 0.00 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 0.40 1.06 0.00 0.00 5 Q 8.87 5.09 0.00 1.46 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.11 0.00 6 I 8.04 4.52 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 0.96 0.00 0.00 7 Y 9.42 4.53 0.00 2.99 2.91 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 0.00 0.00 0.00 8 G 10.67 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 0.00 0.00 0.00 9 T 7.46 3.58 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 1.21 0.00 0.00 10 G 8.07 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.31 3.98 0.00 2.95 3.01 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 12 A 7.62 4.32 1.34 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 0.00 0.00 0.00 13 N 8.78 4.64 0.00 2.76 2.83 0.00 0.00 6.86 7.67 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 14 C 8.06 4.05 0.00 3.20 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 15 Q 8.30 3.97 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 16 M 8.24 4.07 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 17 L 7.79 4.07 0.00 1.95 1.69 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.32 3.83 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 19 K 7.62 3.74 0.00 1.74 1.70 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 20 N 8.05 4.45 0.00 2.74 2.83 0.00 0.00 6.42 8.35 0.00 0.00 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 A 8.40 4.08 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 0.00 0.00 0.00 0.00 0.00 22 R 6.98 3.44 0.00 1.52 1.71 0.00 3.01 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 23 E 7.98 3.92 0.00 2.19 2.14 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 2.44 2.30 0.00 24 A 8.43 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.29 3.81 2.36 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 1.27 0.00 0.00 1.03 0.00 0.00 26 K 7.84 4.23 0.00 2.00 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.72 7.81 27 E 8.49 3.92 0.00 2.06 2.15 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 2.33 2.36 0.00 28 L 8.46 4.14 0.00 1.93 1.75 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.53 3.99 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.92 0.00 0.00 31 D 8.50 4.87 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.93 1.13 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 0.00 0.00 33 E 8.79 4.50 0.00 1.81 1.81 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 2.18 2.28 0.00 34 F 9.10 5.31 0.00 2.84 3.03 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 35 E 8.47 4.71 0.00 1.98 1.70 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 2.21 2.27 0.00 36 K 8.74 4.43 0.00 1.64 1.69 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.49 7.81 37 I 7.79 4.42 1.97 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.97 0.00 0.00 38 K 7.90 4.43 0.00 1.80 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 39 E 7.99 5.23 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 40 M 8.36 4.11 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 41 D 8.24 4.22 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.17 0.00 2.39 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 43 I 7.61 2.36 1.77 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 2.03 0.90 0.71 0.00 0.00 44 L 8.35 3.89 0.00 1.65 1.87 0.90 0.90 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 45 E 7.32 3.98 0.00 2.02 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 0.00 2.34 2.33 0.00 46 A 7.17 4.13 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 47 G 7.60 3.73 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 0.00 0.00 0.00 48 L 7.63 3.58 0.00 1.73 1.63 0.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.45 4.18 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 1.20 0.00 0.00 50 A 7.16 4.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.45 4.18 0.00 1.65 1.75 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.91 0.00 2.13 2.07 0.00 3.85 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 53 G 7.75 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 5.98 0.00 1.61 1.60 0.97 1.11 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 55 A 8.82 4.74 1.38 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 0.00 0.00 0.00 56 V 8.24 4.64 2.06 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 0.76 0.00 0.00 1.01 0.00 0.00 57 D 9.77 4.44 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.10 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 59 E 8.52 4.44 0.00 2.07 1.86 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 2.23 2.42 0.00 60 L 8.33 4.45 0.00 1.62 1.64 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.47 4.66 0.00 1.66 1.77 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.55 7.81 62 I 7.60 4.67 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.69 0.99 0.00 0.00 63 M 8.42 4.87 0.00 2.07 1.91 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 2.60 2.67 0.00 64 G 9.42 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 0.00 0.00 0.00 65 R 7.05 4.47 0.00 1.58 1.83 0.00 3.28 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 66 V 8.55 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 67 A 8.43 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.03 4.74 0.00 3.89 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 69 K 8.38 3.98 0.00 1.85 1.78 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.53 7.81 70 E 8.26 4.00 0.00 2.09 2.01 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 2.41 2.48 0.00 71 E 7.89 4.01 0.00 2.31 2.01 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 2.34 2.41 0.00 72 I 7.74 3.70 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.95 0.00 0.00 73 K 8.03 3.91 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 74 K 8.03 4.04 0.00 1.99 1.95 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 75 I 7.69 3.94 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.93 0.00 0.00 76 L 8.23 4.00 0.00 1.81 1.70 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.96 4.04 0.00 4.05 3.79 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 0.00 0.00 0.00