NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9250 8.3549 109.7359 45.0296 0.0000 173.1734 3 K 3.6073 8.6009 118.6732 56.2465 32.6404 170.6875 4 V 4.4916 8.7068 122.3388 61.3413 35.4716 173.4955 5 Y 5.0540 8.8002 123.9799 56.0945 41.0748 174.6814 6 K 4.5016 8.2149 122.6172 54.4998 35.1769 174.7760 7 K 4.9971 8.4976 125.0275 54.7123 34.4351 175.8867 8 V 4.5579 8.7225 117.1481 59.4877 35.6615 174.1204 9 E 4.9829 8.7663 124.5738 54.9191 30.6677 174.9282 10 L 4.9081 8.9756 126.6460 52.8188 46.0651 175.7574 11 V 4.7559 8.2984 120.1652 61.2368 33.5661 175.0590 12 G 4.5431 9.0311 116.1642 44.9891 0.0000 172.1144 13 T 5.3989 8.1370 112.0837 60.1111 72.1792 172.9329 14 S 4.6803 8.6302 115.4456 57.7393 65.8386 175.5221 15 E 4.3971 8.9482 124.2136 57.9089 29.9023 178.0957 16 E 4.1984 8.5251 118.6057 57.1383 30.2591 176.6281 17 G 3.2412 7.1455 104.2572 44.5929 0.0000 172.7459 18 L 3.8125 7.3385 118.0598 57.8046 41.5272 179.3145 19 E 3.8811 8.0002 117.8005 59.3992 29.4220 179.1472 20 A 3.9541 7.8894 120.0425 54.9791 18.5746 179.4328 21 A 3.9162 7.8026 119.0994 55.2380 18.4655 179.8716 22 I 3.4764 7.7827 118.3646 64.7299 37.1237 178.7478 23 Q 3.9083 8.3635 118.9150 58.7133 28.4352 178.7585 24 A 3.9299 8.1659 121.7780 55.0186 18.3400 179.5247 25 A 3.8755 7.8127 118.7646 55.3868 18.5411 179.7696 26 L 3.8411 7.8857 117.2911 57.6266 41.4056 179.5688 27 A 3.9556 8.0922 120.6053 55.0503 18.7136 179.3991 28 R 3.9097 7.9980 117.0537 59.4206 30.1002 178.4364 29 A 3.9311 8.1565 121.0962 55.1503 18.1773 179.4552 30 R 4.1897 7.6615 113.5860 57.6076 29.7332 178.6313 31 K 4.1083 7.7036 119.4185 58.8841 32.0955 177.5032 32 T 4.5094 7.7152 105.4896 60.5061 70.8187 173.5284 33 L 4.4887 8.0151 123.0637 52.7470 43.8139 175.6958 34 R 4.6199 8.0821 120.9845 55.6621 32.8147 174.9431 35 H 4.1587 8.4859 113.6329 56.8463 26.0463 175.1234 36 L 4.5092 8.1456 119.0065 55.3810 42.1470 175.9497 37 D 5.2072 9.3410 122.8625 55.2937 43.3114 176.1906 38 W 5.5012 7.8480 113.2716 55.1242 31.8414 173.2190 39 F 5.3790 8.3442 114.3829 55.2401 41.0726 173.8236 40 E 4.7115 9.2229 118.7907 54.5481 33.1036 175.2068 41 V 4.1523 8.7519 125.4515 63.1570 31.6821 175.4910 42 K 4.4558 9.2922 128.0239 58.3234 33.2660 176.9548 43 E 4.8376 7.9550 116.8926 54.8884 34.3925 174.2943 44 I 4.9317 8.3722 122.5615 59.8854 39.9335 174.9713 45 R 4.7097 9.0171 125.3834 54.9420 35.2334 173.6374 46 G 4.2412 8.0346 106.1306 46.8221 0.0000 172.5950 47 T 4.7636 8.0451 110.0402 60.0167 71.6902 173.6033 48 I 4.8449 8.2210 122.5180 59.8756 40.2177 175.5522 49 G 4.1265 8.9728 114.6020 44.1366 0.0000 172.2948 50 E 3.8723 9.0454 115.8257 58.7879 29.4095 177.5363 51 A 4.6506 8.0510 119.6326 51.7366 20.6262 175.8768 52 G 4.0016 7.6566 107.0078 44.7283 0.0000 176.9238 53 V 3.7384 8.2452 124.9309 63.0714 31.0136 174.5615 54 K 4.2327 8.6540 129.7031 57.8244 33.0408 175.2380 55 E 5.0340 8.1174 117.9608 54.4941 32.9995 174.4832 56 Y 4.5593 8.9287 122.6815 57.8529 39.6910 174.7211 57 Q 4.8323 9.3931 122.3306 54.2907 32.6315 174.3982 58 V 4.6649 8.8588 125.5479 61.0285 34.0322 174.5038 59 V 4.6768 8.7572 129.6112 61.9225 32.6603 174.7126 60 L 5.2989 9.1206 127.8260 54.1846 44.4261 175.0514 61 E 4.8763 9.1774 120.7502 55.5168 31.5421 175.3562 62 V 4.4986 8.8719 124.1204 60.9843 34.4587 174.1986 63 G 3.1096 8.0598 115.8841 43.9909 0.0000 172.3691 64 F 5.7554 8.6081 118.4295 54.8451 41.8601 173.5941 65 A 4.1969 8.8586 123.4901 51.6840 19.0162 177.1849 66 L 4.3147 8.2904 123.6560 53.9511 42.4126 177.3098 67 E 3.9775 8.9244 123.5956 56.4258 30.1116 176.2158 68 E 4.4798 8.6089 122.5889 55.1181 30.4329 176.3000 69 T 4.1852 8.3966 113.4215 61.6464 68.9797 174.0896 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 2 G 8.35 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 3 K 8.60 3.61 0.00 1.78 1.38 0.00 1.66 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.44 7.81 4 V 8.71 4.49 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 1.08 0.00 0.00 0.96 0.00 0.00 5 Y 8.80 5.05 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.21 4.50 0.00 1.45 0.74 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.25 7.81 7 K 8.50 5.00 0.00 1.64 1.79 0.00 2.04 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.12 1.43 7.81 8 V 8.72 4.56 2.13 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 0.91 0.00 0.00 1.02 0.00 0.00 9 E 8.77 4.98 0.00 1.98 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 2.22 2.33 0.00 10 L 8.98 4.91 0.00 1.55 1.47 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.76 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 0.86 0.00 0.00 0.93 0.00 0.00 12 G 9.03 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 5.40 4.32 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 0.00 0.00 1.22 0.00 0.00 14 S 8.63 4.68 0.00 3.92 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 15 E 8.95 4.40 0.00 2.04 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 2.55 2.35 0.00 16 E 8.53 4.20 0.00 1.96 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 2.34 2.27 0.00 17 G 7.15 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 0.00 0.00 0.00 18 L 7.34 3.81 0.00 1.56 1.64 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.88 0.00 1.99 1.96 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 2.38 2.42 0.00 20 A 7.89 3.95 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 21 A 7.80 3.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.48 1.85 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 1.36 0.58 0.28 0.00 0.00 23 Q 8.36 3.91 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 A 8.17 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 25 A 7.81 3.88 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 26 L 7.89 3.84 0.00 1.62 1.65 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 3.96 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 28 R 8.00 3.91 0.00 1.92 2.03 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.16 3.93 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 30 R 7.66 4.19 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.48 0.00 31 K 7.70 4.11 0.00 1.89 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.63 7.81 32 T 7.72 4.51 4.18 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 1.17 0.00 0.00 33 L 8.02 4.49 0.00 1.45 0.87 0.46 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.08 4.62 0.00 1.79 1.68 0.00 3.32 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 35 H 8.49 4.16 0.00 3.65 3.52 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.51 0.00 1.66 1.66 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.34 5.21 0.00 3.11 3.08 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 38 W 7.85 5.50 0.00 3.25 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 39 F 8.34 5.38 0.00 3.04 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 40 E 9.22 4.71 0.00 1.98 1.94 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 2.39 2.52 0.00 41 V 8.75 4.15 2.18 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 0.83 0.00 0.00 1.12 0.00 0.00 42 K 9.29 4.46 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.59 7.81 43 E 7.95 4.84 0.00 1.89 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 2.32 2.36 0.00 44 I 8.37 4.93 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 1.39 0.66 1.00 0.00 0.00 45 R 9.02 4.71 0.00 1.69 1.80 0.00 3.39 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 8.03 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 0.00 0.00 0.00 0.00 47 T 8.05 4.76 4.20 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 0.00 0.00 1.18 0.00 0.00 48 I 8.22 4.84 1.84 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 1.22 0.63 0.88 0.00 0.00 49 G 8.97 4.13 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 0.00 50 E 9.05 3.87 0.00 2.08 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 0.00 2.27 2.31 0.00 51 A 8.05 4.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.74 1.76 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 -0.34 0.00 0.00 0.68 0.00 0.00 54 K 8.65 4.23 0.00 1.87 1.77 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 E 8.12 5.03 0.00 1.87 1.78 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 2.17 2.37 0.00 56 Y 8.93 4.56 0.00 3.01 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 57 Q 9.39 4.83 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.86 4.66 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.76 4.68 2.18 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 0.87 0.00 0.00 0.95 0.00 0.00 60 L 9.12 5.30 0.00 1.91 1.73 0.69 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.18 4.88 0.00 1.92 1.87 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 0.00 2.32 2.44 0.00 62 V 8.87 4.50 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 0.93 0.00 0.00 0.90 0.00 0.00 63 G 8.06 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 0.00 0.00 0.00 64 F 8.61 5.76 0.00 3.33 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 65 A 8.86 4.20 1.25 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 0.00 0.00 0.00 66 L 8.29 4.31 0.00 1.54 1.58 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.92 3.98 0.00 1.99 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 0.00 2.34 2.39 0.00 68 E 8.61 4.48 0.00 1.92 1.87 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 0.00 2.18 2.22 0.00 69 T 8.40 4.19 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 1.22 0.00 0.00