NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3250 8.3044 120.3489 55.4879 32.7835 174.6505 2 K 4.1451 8.5435 119.9680 54.4124 32.9201 175.3448 3 K 4.2499 9.3375 127.6147 56.1799 33.7848 176.1073 4 R 4.7639 8.0420 121.3143 54.6267 33.0178 175.0572 5 L 4.4811 7.8358 117.4937 55.3629 42.7189 174.2633 6 T 4.6234 8.3624 116.6408 61.7546 71.0640 173.3805 7 I 4.7320 8.0420 117.1474 59.3573 40.9691 174.2033 8 T 4.6993 8.2204 115.5975 61.7634 71.3470 173.8059 9 L 4.8250 8.1493 124.0862 51.7091 45.9117 177.0778 10 S 4.2169 8.5198 117.3008 58.2033 64.7036 174.6848 11 E 3.8468 8.9082 125.8124 60.3547 29.2254 178.5466 12 S 3.9462 8.2924 111.1654 62.1689 62.1467 175.8228 13 V 3.4875 8.5342 120.1199 66.3598 31.3487 177.8063 14 L 3.8156 8.3674 119.5276 58.4866 41.9209 178.5490 15 E 3.8695 8.8263 118.9282 59.6638 29.5087 178.5181 16 N 4.2497 8.2331 116.1582 56.9899 38.5904 176.2972 17 L 3.8889 8.6338 121.0813 58.2322 41.9844 178.6291 18 E 3.8313 8.9215 118.8650 59.4992 29.8007 179.2813 19 K 3.9202 8.4485 120.0002 59.4854 32.3057 178.2151 20 M 4.1038 8.9095 118.9725 58.6205 32.0972 178.7531 21 A 3.9299 8.2716 120.6203 55.2140 18.5674 179.2328 22 R 3.8419 7.9424 117.1074 59.9988 29.8217 178.3944 23 E 3.9934 8.2115 116.7124 59.4626 29.6052 178.4716 24 M 4.3866 7.9755 115.3958 54.2933 32.6649 176.1670 25 G 3.9025 7.8293 106.7992 46.9718 0.0000 173.3851 26 L 4.8414 7.8187 117.1457 51.7969 45.7559 177.4311 27 S 4.5354 8.1744 115.0474 57.5368 65.5153 175.3788 28 K 3.9377 8.4294 121.4860 59.7464 31.7386 179.5762 29 S 4.0970 8.1309 114.6178 61.6211 62.7969 176.4118 30 A 3.9377 8.1610 123.1979 55.3627 18.1134 178.9330 31 M 3.8423 8.4715 116.8135 59.1236 32.1380 178.5590 32 I 3.6752 8.2117 119.7403 64.5646 37.2323 178.4315 33 S 4.1212 8.2898 116.2763 61.7112 62.5888 176.9247 34 V 3.5385 8.3968 120.7184 65.9074 31.1857 177.4816 35 A 4.0552 8.2741 120.7890 55.4637 18.1936 179.4540 36 L 4.3060 8.2215 117.2464 58.1178 41.7675 179.3123 37 E 3.9303 8.3994 118.4474 59.6540 29.5128 178.7102 38 N 4.1880 8.8891 117.2870 57.1780 38.7251 175.7231 39 Y 4.1301 8.6427 120.1874 60.8665 38.4049 177.9104 40 K 3.8679 8.7640 120.3749 59.4932 32.1847 178.3116 41 K 4.4241 8.3362 119.3585 59.6728 32.0616 177.8250 42 G 3.9306 7.6571 102.6133 45.0138 0.0000 173.7947 43 Q 4.5364 8.9654 120.7254 55.6976 31.4554 175.2512 44 E 4.4483 7.9406 124.9579 55.3782 28.6055 176.5505 45 K 4.1518 9.0209 116.0935 56.9242 32.9424 176.4694 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 4.32 0.00 1.99 1.94 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 2.48 2.54 0.00 2 K 8.54 4.15 0.00 1.81 1.70 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.58 7.81 3 K 9.34 4.25 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 R 8.04 4.76 0.00 1.76 1.81 0.00 3.24 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 5 L 7.84 4.48 0.00 1.69 1.58 0.92 0.57 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 6 T 8.36 4.62 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 1.21 0.00 0.00 7 I 8.04 4.73 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.90 0.00 0.00 8 T 8.22 4.70 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 9 L 8.15 4.83 0.00 1.55 1.48 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.52 4.22 0.00 4.03 3.99 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 0.00 0.00 0.00 11 E 8.91 3.85 0.00 2.09 2.02 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 2.39 2.46 0.00 12 S 8.29 3.95 0.00 3.92 3.80 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 13 V 8.53 3.49 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 0.92 0.00 0.00 0.91 0.00 0.00 14 L 8.37 3.82 0.00 1.87 1.73 0.91 0.78 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 15 E 8.83 3.87 0.00 2.25 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 2.31 2.37 0.00 16 N 8.23 4.25 0.00 2.94 2.87 0.00 0.00 6.73 6.27 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 17 L 8.63 3.89 0.00 1.69 1.82 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.92 3.83 0.00 2.23 2.02 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 2.31 2.41 0.00 19 K 8.45 3.92 0.00 1.91 1.95 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.46 7.81 20 M 8.91 4.10 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 21 A 8.27 3.93 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 22 R 7.94 3.84 0.00 2.25 2.03 0.00 3.10 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 1.64 1.70 0.00 23 E 8.21 3.99 0.00 2.11 2.00 0.00 0.00 0.00 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 2.55 0.00 24 M 7.98 4.39 0.00 2.00 2.10 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 2.73 2.55 0.00 25 G 7.83 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.82 4.84 0.00 1.61 1.55 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.17 4.54 0.00 4.04 3.99 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 0.00 0.00 0.00 28 K 8.43 3.94 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.13 4.10 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.94 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 31 M 8.47 3.84 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 32 I 8.21 3.68 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.90 0.00 0.00 33 S 8.29 4.12 0.00 3.99 3.93 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 0.00 0.00 0.00 34 V 8.40 3.54 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 1.02 0.00 0.00 0.98 0.00 0.00 35 A 8.27 4.06 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 36 L 8.22 4.31 0.00 1.89 1.77 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.40 3.93 0.00 2.15 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 0.00 2.52 2.49 0.00 38 N 8.89 4.19 0.00 2.74 3.09 0.00 0.00 6.94 7.10 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 39 Y 8.64 4.13 0.00 2.92 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 40 K 8.76 3.87 0.00 1.87 2.06 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.44 7.81 41 K 8.34 4.42 0.00 1.86 1.98 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 42 G 7.66 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.97 4.54 0.00 1.61 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 44 E 7.94 4.45 0.00 2.01 1.12 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 2.27 2.34 0.00 45 K 9.02 4.15 0.00 1.89 1.76 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.41 7.81