NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5388 8.3044 120.3294 55.2774 33.0785 174.0473 2 E 4.2344 8.7646 122.1442 54.7638 32.2103 173.6812 3 Q 4.9846 8.3952 118.7397 54.9063 29.5256 173.2114 4 K 4.6024 8.7796 124.9162 55.4810 35.0488 174.6436 5 T 5.0035 8.1966 114.7999 60.7542 70.9270 172.5040 6 L 4.8177 8.9144 129.1428 53.3377 42.3976 175.9201 7 Q 4.2407 8.9544 126.7633 55.6590 30.4425 175.8376 8 V 4.3216 8.2208 124.8282 61.8033 31.6583 175.3968 9 E 4.0059 9.2617 127.6578 57.3695 28.9955 176.4115 10 G 4.0164 7.7649 111.6615 46.2762 0.0000 173.3063 11 M 4.3115 8.0740 118.3095 56.2334 32.8844 176.0469 12 S 4.5420 8.1154 115.9804 56.3619 63.7375 176.0287 13 C 4.6036 7.9953 121.8904 57.4342 32.3368 171.9626 14 Q 4.1110 8.5719 129.3732 59.2408 28.3999 177.7459 15 H 4.2115 8.1654 116.2688 59.4663 29.1910 176.3778 16 C 4.0285 8.3614 117.7017 62.7978 27.7676 176.0422 17 V 3.5865 7.8723 112.2589 64.8379 31.6116 179.0458 18 K 4.0636 8.2527 117.7629 59.8914 30.9026 178.7583 19 A 3.9370 8.0245 122.1661 55.0308 18.2525 179.6386 20 V 3.7253 7.6527 115.9084 65.4735 31.8056 177.4114 21 E 3.8022 8.3459 119.7855 59.7443 29.1809 178.8358 22 T 3.7877 7.5259 111.1630 65.3640 67.6087 175.6830 23 S 4.2444 7.4237 114.0799 61.8025 62.8461 176.8337 24 V 3.6837 8.3446 121.2711 66.0222 30.9339 178.0266 25 G 3.6808 8.1027 104.5423 47.3660 0.0000 174.7902 26 E 4.3353 8.1933 121.3733 58.1913 30.2446 176.5239 27 L 4.1407 8.5105 119.7894 55.2923 40.4229 178.3811 28 D 4.2544 8.0860 123.4203 54.7188 41.3810 177.8656 29 G 4.0910 8.5098 106.5156 49.4602 0.0000 172.7741 30 V 3.7939 7.9699 123.4846 63.2401 31.2660 175.5152 31 S 4.3671 9.2504 124.5575 61.2650 62.9971 173.8630 32 A 4.4621 7.3663 117.6772 51.3040 22.3886 176.0177 33 V 4.2841 8.2470 112.1853 60.3127 35.1639 175.5978 34 H 4.8792 9.0609 125.0071 53.3075 28.6898 171.8629 35 V 3.8642 7.8878 119.7214 62.4560 32.3665 176.2545 36 N 5.1052 8.5105 129.6522 51.4563 39.8242 176.3072 37 L 4.0015 8.3632 120.7326 58.9988 40.7853 178.7229 38 E 4.0522 8.2601 115.7295 58.7503 29.7907 177.9153 39 A 4.1051 8.0803 121.4123 54.4949 18.2788 176.4811 40 G 3.8903 7.8885 110.4777 44.3482 0.0000 174.2957 41 K 4.3339 6.9652 116.1657 55.6526 36.4815 173.5854 42 V 4.4789 7.9805 113.8776 60.4892 32.7024 175.5071 43 D 5.1009 8.6809 127.0666 52.3223 42.3567 176.1449 44 V 4.3194 8.5932 123.3974 60.5535 35.0126 175.5715 45 S 5.1004 8.1410 124.7033 56.5069 61.3179 173.6570 46 F 4.5292 7.8318 120.6587 57.6061 40.8838 176.1116 47 D 4.6348 8.4934 122.7569 52.6561 39.5289 176.3532 48 A 4.2620 8.4524 128.4876 54.4019 18.5742 178.1756 49 D 4.5407 8.7366 114.1901 55.1967 41.8145 176.1637 50 K 4.4498 8.0258 116.9613 57.4532 34.0555 176.0886 51 V 4.5211 8.1767 116.5038 59.7955 34.4791 174.5455 52 S 4.5639 8.4640 117.0383 57.0425 64.8567 175.5356 53 V 2.8171 8.0929 116.7141 64.9481 31.7039 178.7214 54 K 4.0649 7.9133 120.1107 60.1591 32.1978 176.5622 55 D 4.3001 8.5084 118.1329 57.9636 40.8926 178.2521 56 I 3.7096 7.7086 118.3579 64.5257 37.6354 177.7839 57 A 3.9884 8.6365 121.8110 55.7109 18.1289 179.0428 58 D 4.2625 8.4478 115.6092 57.3362 40.7294 178.2730 59 A 3.9739 8.2603 121.5189 55.6109 18.3446 179.8404 60 I 3.8544 8.2873 118.3898 63.9917 36.8523 178.0773 61 E 3.8873 8.0282 119.7976 59.8991 29.4817 177.9201 62 D 4.4753 7.7101 115.4935 57.1393 41.2717 178.2245 63 Q 4.0474 7.5436 117.3992 55.5666 30.6898 175.9847 64 G 3.5128 7.5496 105.7189 46.9748 0.0000 170.8676 65 Y 3.6187 7.4787 127.3702 57.8438 36.4568 169.4575 66 D 5.6048 8.5707 135.0000 55.8222 42.4193 176.4638 67 V 4.0730 7.4312 118.7085 62.4118 29.6587 175.1248 68 A 4.3070 9.2328 127.6542 52.9169 18.5973 177.4035 69 K 4.3908 7.4869 111.8815 55.9941 35.3243 173.7151 70 I 4.3947 8.5296 115.6802 61.3176 38.5405 173.0659 71 E 4.0057 9.2560 122.7728 57.2437 30.6459 179.5237 72 G 3.9592 10.0838 118.3272 46.7157 0.0000 173.4275 73 R 4.1309 8.7238 121.2808 56.4973 30.1219 173.6555 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 4.54 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 2 E 8.76 4.23 0.00 2.17 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 2.31 2.41 0.00 3 Q 8.40 4.98 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 4 K 8.78 4.60 0.00 2.09 1.92 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.44 7.81 5 T 8.20 5.00 4.40 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 1.25 0.00 0.00 6 L 8.91 4.82 0.00 1.73 1.69 1.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.95 4.24 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 8 V 8.22 4.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.06 0.00 0.00 9 E 9.26 4.01 0.00 2.21 2.05 0.00 0.00 0.00 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 2.30 0.00 10 G 7.76 4.02 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 0.00 0.00 0.00 11 M 8.07 4.31 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 12 S 8.12 4.54 0.00 3.86 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 13 C 8.00 4.60 0.00 3.00 2.89 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 14 Q 8.57 4.11 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 15 H 8.17 4.21 0.00 3.18 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.36 4.03 0.00 3.26 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 17 V 7.87 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.06 0.00 0.00 18 K 8.25 4.06 0.00 2.05 2.11 0.00 1.26 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.41 7.81 19 A 8.02 3.94 1.42 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 0.00 0.00 20 V 7.65 3.73 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 1.05 0.00 0.00 0.88 0.00 0.00 21 E 8.35 3.80 0.00 2.12 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 0.00 2.29 2.33 0.00 22 T 7.53 3.79 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 23 S 7.42 4.24 0.00 4.01 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 24 V 8.34 3.68 2.20 0.00 0.00 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 0.97 0.00 0.00 25 G 8.10 3.68 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 0.00 0.00 0.00 26 E 8.19 4.34 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 27 L 8.51 4.14 0.00 1.84 1.66 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.09 4.25 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.51 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 3.79 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 0.75 0.00 0.00 0.95 0.00 0.00 31 S 9.25 4.37 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.46 1.06 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 0.00 0.00 33 V 8.25 4.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.95 0.00 0.00 34 H 9.06 4.88 0.00 3.11 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.89 3.86 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 0.73 0.00 0.00 0.92 0.00 0.00 36 N 8.51 5.11 0.00 2.88 2.70 0.00 0.00 6.56 6.56 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 37 L 8.36 4.00 0.00 1.84 1.95 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.26 4.05 0.00 2.11 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 2.28 2.31 0.00 39 A 8.08 4.11 1.30 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 0.00 0.00 0.00 40 G 7.89 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 41 K 6.97 4.33 0.00 2.01 1.92 0.00 1.53 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 42 V 7.98 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.06 0.00 0.00 43 D 8.68 5.10 0.00 2.70 2.57 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 0.00 44 V 8.59 4.32 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 0.00 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 45 S 8.14 5.10 0.00 3.73 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 46 F 7.83 4.53 0.00 2.90 2.86 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 0.00 0.00 0.00 47 D 8.49 4.63 0.00 3.01 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 48 A 8.45 4.26 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 49 D 8.74 4.54 0.00 2.59 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 50 K 8.03 4.45 0.00 1.84 1.77 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.45 7.81 51 V 8.18 4.52 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 0.82 0.00 0.00 1.00 0.00 0.00 52 S 8.46 4.56 0.00 3.93 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 53 V 8.09 2.82 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 -0.55 0.00 0.00 0.68 0.00 0.00 54 K 7.91 4.06 0.00 1.80 1.75 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.59 7.81 55 D 8.51 4.30 0.00 2.73 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 56 I 7.71 3.71 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.32 1.08 0.00 0.00 57 A 8.64 3.99 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 58 D 8.45 4.26 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.97 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 60 I 8.29 3.85 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 1.40 0.53 0.89 0.00 0.00 61 E 8.03 3.89 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 62 D 7.71 4.48 0.00 2.66 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 63 Q 7.54 4.05 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 64 G 7.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.48 3.62 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.57 5.60 0.00 2.88 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 67 V 7.43 4.07 2.11 0.00 0.00 0.00 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 1.02 0.00 0.00 68 A 9.23 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.39 0.00 1.78 1.87 0.00 1.51 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.31 7.81 70 I 8.53 4.39 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.76 0.81 0.00 0.00 71 E 9.26 4.01 0.00 1.87 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 2.26 2.39 0.00 72 G 10.08 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 73 R 8.72 4.13 0.00 1.74 1.74 0.00 3.44 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00