NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3049 120.3508 55.6141 33.0290 170.9920 2 I 2.8656 7.5449 125.1060 59.1518 38.6373 169.5320 3 V 2.8142 8.5808 125.9264 62.2382 32.7729 173.1519 4 P 4.3392 0.0000 0.0000 61.1959 31.5893 176.6303 5 V 3.5221 8.1924 123.7574 63.9476 32.1088 173.9643 6 R 3.6968 8.4284 126.7806 56.3898 29.6892 175.3804 7 C 4.0811 8.2597 120.0561 58.2622 32.2240 173.0434 8 F 4.3553 7.9521 123.4678 59.8949 37.9764 177.1291 9 S 3.6395 8.0060 117.2819 63.7392 64.1983 175.1085 10 C 4.3482 8.1659 118.9001 58.5703 42.3044 174.5836 11 G 3.8887 8.1722 107.2194 45.1982 0.0000 174.2270 12 K 3.7013 8.1615 120.0750 56.4975 32.4701 175.8491 13 V 3.9189 8.1970 124.9675 64.0291 31.9056 176.0234 14 V 4.4234 8.0710 120.0659 63.2789 35.1492 175.5098 15 G 3.7307 8.1353 107.1784 47.5067 0.0000 173.8005 16 D 4.6941 7.7789 119.3657 54.9527 40.7675 178.7003 17 K 4.0074 8.1311 117.6044 57.6524 32.3504 178.2081 18 W 4.3160 8.4334 129.9764 60.1359 30.6676 177.3859 19 E 3.8601 8.4292 117.7408 59.8520 28.8486 179.1917 20 S 4.0879 8.1834 112.7276 62.1422 63.2718 175.8740 21 Y 4.0657 8.1326 121.3794 60.8559 38.7597 177.8003 22 L 3.6270 8.0107 121.4847 58.4590 41.8585 178.9014 23 N 4.3935 8.0145 116.1606 55.9773 38.5260 177.5522 24 L 4.1992 7.5219 115.9295 55.3796 40.8469 177.3161 25 L 4.4461 7.9466 117.1119 56.3613 44.3028 178.7909 26 Q 3.8426 7.8208 118.9844 58.7246 28.8733 176.6602 27 E 4.2113 7.2359 116.7203 58.1733 30.4362 177.2040 28 D 4.3694 8.2896 116.8634 56.5681 40.6455 178.9855 29 E 3.7929 7.6817 115.2364 58.4490 25.1303 174.8844 30 L 4.8693 7.8243 124.2392 52.4905 45.7535 175.3299 31 D 4.9890 7.8687 117.4403 51.6819 42.3414 175.4712 32 E 3.2149 9.2093 113.5753 59.2900 28.5635 181.0232 33 G 3.9158 8.1870 113.5710 48.4113 0.0000 176.7906 34 T 3.9975 8.5144 116.6876 66.3655 68.6364 177.2462 35 A 3.8819 7.3826 120.9543 55.3677 18.7225 179.2542 36 L 4.1321 8.0979 116.9424 58.0703 41.9471 179.4729 37 S 4.1871 7.6830 114.6622 62.1322 62.6800 177.0514 38 R 4.1615 7.8693 119.8429 58.5930 30.0115 177.6928 39 L 4.2667 8.2254 117.2545 55.4629 41.8248 177.4838 40 G 3.9847 7.6964 106.2136 45.3240 0.0000 174.1959 41 L 4.1386 7.5496 118.3099 54.7369 40.2068 176.9059 42 K 4.1211 8.3900 124.6998 58.3414 32.6416 177.0272 43 R 4.6553 7.6478 115.6166 54.6113 31.3636 176.5257 44 Y 4.1301 9.4314 118.7394 60.6361 37.9768 178.2979 45 C 3.8942 7.8145 114.9550 61.2367 29.6373 174.3881 46 C 4.4660 7.6497 114.2978 55.0649 37.7486 174.2381 47 R 4.4199 7.6241 117.9561 58.6062 31.0578 177.0194 48 R 3.9955 8.7718 116.4568 59.5594 29.0246 178.0841 49 M 3.9904 8.0484 118.4978 58.9424 31.9983 178.0946 50 I 3.7858 7.4559 118.3086 64.1739 37.5185 177.8896 51 L 4.0873 8.0029 119.3608 57.7195 41.7692 177.4265 52 T 4.4259 7.3406 113.1393 64.6052 70.4721 174.5929 53 H 3.9599 7.6720 119.5443 56.5994 30.1030 174.4594 54 V 4.0603 7.8869 124.8716 60.6542 32.9540 176.8225 55 D 4.4648 8.0821 133.0357 53.5693 39.2788 177.2696 56 L 3.7245 7.8341 121.0585 57.7866 41.8960 178.6622 57 I 4.2053 7.9930 118.1606 64.7107 37.4072 176.8224 58 E 3.9545 7.9440 118.5132 59.1006 29.3477 178.7570 59 K 3.9340 7.7627 118.0841 59.8390 32.5486 178.6662 60 F 4.8643 7.5330 117.3723 60.8259 38.7932 177.5296 61 L 4.2470 8.1865 116.4677 56.4927 41.6775 178.1082 62 R 4.5821 7.8564 118.4942 57.3319 31.4155 175.5903 63 Y 4.4866 7.8782 112.2884 56.3111 42.1249 176.8809 64 N 4.0990 8.0532 128.2160 53.9724 42.8846 173.0755 65 P 4.4656 0.0000 0.0000 62.9756 31.6877 176.8466 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 4.51 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.68 0.00 2 I 7.54 2.87 1.81 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 1.20 0.15 0.81 0.00 0.00 3 V 8.58 2.81 1.88 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 0.72 0.00 0.00 0.32 0.00 0.00 4 P 0.00 4.34 0.00 1.73 1.64 0.00 3.45 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 5 V 8.19 3.52 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 0.76 0.00 0.00 0.89 0.00 0.00 6 R 8.43 3.70 0.00 1.89 2.07 0.00 3.24 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 C 8.26 4.08 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.95 4.36 0.00 3.10 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 3.64 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.17 4.35 0.00 3.06 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 11 G 8.17 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 12 K 8.16 3.70 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.46 7.81 13 V 8.20 3.92 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 0.81 0.00 0.00 0.92 0.00 0.00 14 V 8.07 4.42 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 0.83 0.00 0.00 0.93 0.00 0.00 15 G 8.14 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 16 D 7.78 4.69 0.00 3.07 2.94 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 17 K 8.13 4.01 0.00 2.09 1.99 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.56 7.81 18 W 8.43 4.32 0.00 3.36 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 19 E 8.43 3.86 0.00 2.10 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 2.58 2.59 0.00 20 S 8.18 4.09 0.00 4.03 3.97 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 21 Y 8.13 4.07 0.00 3.03 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 22 L 8.01 3.63 0.00 1.03 1.52 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.01 4.39 0.00 2.99 2.77 0.00 0.00 6.96 6.10 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 24 L 7.52 4.20 0.00 1.48 1.53 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.95 4.45 0.00 1.58 1.43 0.65 0.50 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 26 Q 7.82 3.84 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 27 E 7.24 4.21 0.00 2.01 1.77 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 2.31 2.27 0.00 28 D 8.29 4.37 0.00 2.58 2.64 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 29 E 7.68 3.79 0.00 1.94 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 0.00 2.26 2.36 0.00 30 L 7.82 4.87 0.00 1.73 1.49 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.87 4.99 0.00 2.76 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 32 E 9.21 3.21 0.00 2.13 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 2.50 2.48 0.00 33 G 8.19 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 0.00 0.00 0.00 34 T 8.51 4.00 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 1.20 0.00 0.00 35 A 7.38 3.88 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 36 L 8.10 4.13 0.00 1.77 1.79 1.01 1.20 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 S 7.68 4.19 0.00 4.12 3.97 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 38 R 7.87 4.16 0.00 1.82 2.08 0.00 3.24 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 39 L 8.23 4.27 0.00 1.91 1.76 1.15 1.01 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 40 G 7.70 3.98 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 0.00 0.00 0.00 41 L 7.55 4.14 0.00 1.70 1.71 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.39 4.12 0.00 1.74 1.83 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 43 R 7.65 4.66 0.00 2.22 2.14 0.00 3.08 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 44 Y 9.43 4.13 0.00 3.22 3.11 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 0.00 0.00 0.00 0.00 45 C 7.81 3.89 0.00 3.01 2.90 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 46 C 7.65 4.47 0.00 3.08 3.18 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 0.00 47 R 7.62 4.42 0.00 2.11 2.05 0.00 3.33 0.00 0.00 3.31 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 48 R 8.77 4.00 0.00 2.12 2.31 0.00 2.94 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.12 0.00 49 M 8.05 3.99 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 50 I 7.46 3.79 1.73 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 1.38 0.53 0.57 0.00 0.00 51 L 8.00 4.09 0.00 1.68 1.77 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.34 4.43 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 1.25 0.00 0.00 53 H 7.67 3.96 0.00 2.94 3.10 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.89 4.06 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 0.81 0.00 0.00 0.99 0.00 0.00 55 D 8.08 4.46 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.72 0.00 1.58 1.02 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.99 4.21 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.95 0.00 0.00 58 E 7.94 3.95 0.00 2.05 1.95 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 2.71 2.56 0.00 59 K 7.76 3.93 0.00 1.39 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.28 7.81 60 F 7.53 4.86 0.00 3.40 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 61 L 8.19 4.25 0.00 1.85 1.80 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.86 4.58 0.00 1.71 1.71 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 63 Y 7.88 4.49 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.05 4.10 0.00 2.70 2.54 0.00 0.00 6.97 7.69 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 65 P 0.00 4.47 0.00 2.23 2.03 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00