NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8659 8.3393 109.7357 46.2648 0.0000 173.3042 2 S 3.4986 8.6497 110.7045 59.2537 61.7589 170.3445 3 S 4.7658 8.9270 115.8051 56.8614 66.5731 174.9786 4 G 4.6817 7.4009 119.1872 45.7908 0.0000 172.2272 5 S 4.7910 8.1550 120.0921 56.7294 66.6182 173.9648 6 S 4.4796 8.5950 117.0615 58.7923 64.0673 175.0421 7 G 4.1896 7.2356 109.3704 45.3108 0.0000 172.0332 8 S 4.7093 8.3681 118.7522 55.7066 64.7894 173.0833 9 P 4.5551 0.0000 0.0000 62.4901 32.3815 174.9671 10 I 4.4767 8.0156 117.9619 59.7146 39.3750 174.8465 11 N 4.9404 8.2667 121.3000 50.6344 41.0810 173.1853 12 P 4.3498 0.0000 0.0000 65.8902 32.0716 177.3943 13 Y 4.4611 7.6931 117.4958 58.7903 38.9369 177.4859 14 K 3.7565 5.8333 121.7145 58.6765 32.0787 177.4009 15 D 4.3323 8.0682 119.2527 57.9246 40.2759 178.4654 16 H 4.1098 8.5981 115.4620 59.6511 28.0841 176.6544 17 M 3.7683 8.3934 121.6603 57.0348 31.6551 178.5816 18 S 4.0252 7.6600 116.0756 61.8242 63.4902 176.8001 19 V 3.5177 7.7029 121.4926 65.3099 30.8629 178.1145 20 L 4.1099 7.2939 119.8484 57.2486 41.4216 179.9057 21 K 4.3517 8.1297 117.7392 59.0471 31.4596 179.2995 22 A 4.0484 8.1437 121.9224 54.9958 18.2010 179.3694 23 Y 4.2274 7.7454 114.8258 61.5078 37.9853 177.5808 24 Y 4.9045 8.5401 120.0298 60.4891 39.0539 177.3250 25 A 4.2794 8.0312 120.3115 55.6773 18.3734 179.1911 26 M 4.2739 7.6814 115.8085 56.3247 33.0492 176.5045 27 N 5.0289 8.0144 116.4674 51.0869 39.7655 175.1325 28 M 3.3605 8.7447 122.4971 57.7372 32.3164 176.6519 29 E 4.3454 7.6119 121.7226 53.4236 30.6534 174.0825 30 P 4.3573 0.0000 0.0000 62.2153 32.4331 175.2735 31 N 4.9400 7.9751 115.4941 50.7189 39.6892 175.8928 32 S 3.9708 8.5367 114.9202 62.0190 62.4014 176.7097 33 D 4.2587 7.5590 122.5482 57.2324 40.6476 178.4638 34 E 3.8334 8.5176 118.9082 59.5035 29.6040 179.3985 35 L 3.6496 7.4749 118.4408 58.0410 41.5642 178.8512 36 L 3.8756 7.3447 118.2634 58.2971 42.1841 178.5535 37 K 3.9653 7.8191 117.2822 59.8028 31.9729 178.9994 38 I 3.4944 7.7574 118.8573 64.7449 37.4379 178.1903 39 S 4.3974 8.0946 113.6266 60.5971 63.1429 176.5349 40 I 3.7435 8.3008 124.3200 64.3898 36.8848 177.6631 41 A 4.1189 8.0843 119.7418 55.3866 18.0712 179.1635 42 V 4.0560 7.4039 108.2163 61.6608 32.3685 177.4407 43 G 4.0287 8.0395 105.1838 44.9792 0.0000 173.4852 44 L 4.3527 7.3999 118.9865 52.7707 42.9960 174.6931 45 P 4.3924 0.0000 0.0000 62.6479 31.8023 176.8355 46 Q 4.0663 9.0814 124.6989 59.5373 28.8813 178.6527 47 E 4.0062 8.3528 118.8313 59.4820 29.5241 179.0059 48 F 4.3250 8.7849 120.7444 61.4338 39.6189 177.0147 49 V 3.6515 8.2014 117.4179 66.2505 31.1602 177.2018 50 K 3.9175 8.4119 119.0684 60.0570 31.8679 178.1527 51 E 3.9715 7.8976 116.9478 59.2959 29.5959 179.0682 52 W 4.1132 7.9495 128.1263 60.8264 30.3962 178.0627 53 F 4.0941 8.4885 116.2120 60.4088 38.6773 177.1942 54 E 4.1429 8.3731 118.2862 59.4992 29.3015 179.1695 55 Q 3.6761 8.2024 118.2893 59.2274 28.7346 179.2490 56 R 3.8053 7.0654 117.2724 59.5583 29.9750 178.9246 57 K 4.0192 7.8451 117.8003 59.4288 31.9914 179.2495 58 V 3.4444 7.7050 118.7447 66.3301 31.0858 177.8302 59 Y 4.2258 6.6208 114.2272 61.2668 37.9933 177.4999 60 Q 4.1477 8.2606 118.1086 59.2285 28.8431 178.2930 61 Y 4.0723 8.2285 116.8659 59.1888 38.6066 176.2717 62 S 4.5299 7.5392 113.1686 57.0509 63.4308 173.3709 63 N 4.4529 8.5423 123.2270 53.6551 38.9104 175.3380 64 S 4.2330 8.7873 117.8900 61.1442 63.0397 174.8918 65 R 4.0267 8.2630 119.4494 59.3339 29.7123 176.5516 66 S 4.1322 8.1478 111.0901 58.0123 63.3893 173.1155 67 G 3.9498 8.4157 113.7215 44.5221 0.0000 171.4846 68 P 4.5378 0.0000 0.0000 61.6702 32.8106 176.6752 69 S 4.2456 8.5657 112.2547 60.9460 62.3502 174.4367 70 S 4.4983 7.5056 112.1271 57.6884 65.7960 173.8640 71 G 3.9477 8.8198 110.4450 45.8822 0.0000 173.2669 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 G 8.34 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.65 3.50 0.00 4.19 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 3 S 8.93 4.77 0.00 3.85 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 4 G 7.40 4.68 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 5 S 8.15 4.79 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.48 0.00 3.96 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 7 G 7.24 4.19 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 0.00 0.00 0.00 8 S 8.37 4.71 0.00 3.84 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 9 P 0.00 4.56 0.00 2.14 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 10 I 8.02 4.48 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 1.38 0.63 0.87 0.00 0.00 11 N 8.27 4.94 0.00 2.45 2.28 0.00 0.00 6.78 7.89 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 12 P 0.00 4.35 0.00 2.26 2.20 0.00 3.54 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 13 Y 7.69 4.46 0.00 3.24 3.23 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 0.00 14 K 5.83 3.76 0.00 1.02 1.54 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.49 7.81 15 D 8.07 4.33 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.60 4.11 0.00 3.32 3.59 0.00 5.26 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.39 3.77 0.00 1.90 2.07 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 2.60 2.35 0.00 18 S 7.66 4.03 0.00 3.75 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 19 V 7.70 3.52 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 1.00 0.00 0.00 0.89 0.00 0.00 20 L 7.29 4.11 0.00 0.94 0.52 0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.13 4.35 0.00 2.10 1.92 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.36 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.72 7.81 22 A 8.14 4.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.75 4.23 0.00 3.51 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 4.90 0.00 3.31 3.05 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 0.00 0.00 0.00 25 A 8.03 4.28 1.52 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 26 M 7.68 4.27 0.00 1.99 2.37 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.60 0.00 27 N 8.01 5.03 0.00 2.78 2.91 0.00 0.00 7.02 8.07 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 28 M 8.74 3.36 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 29 E 7.61 4.35 0.00 1.85 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 2.19 2.24 0.00 30 P 0.00 4.36 0.00 1.76 1.68 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 31 N 7.98 4.94 0.00 2.88 2.88 0.00 0.00 5.56 7.58 0.00 0.00 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 S 8.54 3.97 0.00 4.03 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.56 4.26 0.00 3.08 2.70 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 0.00 0.00 0.00 34 E 8.52 3.83 0.00 1.90 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 2.42 2.39 0.00 35 L 7.47 3.65 0.00 1.71 1.66 0.84 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.34 3.88 0.00 1.64 1.83 1.01 1.06 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 37 K 7.82 3.97 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 38 I 7.76 3.49 2.09 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.23 1.25 0.00 0.00 39 S 8.09 4.40 0.00 4.21 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 0.00 40 I 8.30 3.74 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.93 0.00 0.00 41 A 8.08 4.12 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 42 V 7.40 4.06 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 0.89 0.00 0.00 1.14 0.00 0.00 43 G 8.04 4.03 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 0.00 0.00 0.00 44 L 7.40 4.35 0.00 1.74 1.72 1.02 0.88 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 45 P 0.00 4.39 0.00 2.30 2.24 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.95 0.00 46 Q 9.08 4.07 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 47 E 8.35 4.01 0.00 2.11 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 0.00 2.46 2.37 0.00 48 F 8.78 4.33 0.00 3.10 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.65 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.09 0.00 0.00 50 K 8.41 3.92 0.00 2.01 2.12 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.60 7.81 51 E 7.90 3.97 0.00 2.19 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 0.00 2.36 2.37 0.00 52 W 7.95 4.11 0.00 2.99 3.38 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 53 F 8.49 4.09 0.00 3.38 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 54 E 8.37 4.14 0.00 2.18 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 0.00 2.38 2.53 0.00 55 Q 8.20 3.68 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 56 R 7.07 3.81 0.00 2.03 1.68 0.00 2.26 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.76 0.00 57 K 7.85 4.02 0.00 1.93 1.97 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.62 7.81 58 V 7.71 3.44 1.41 0.00 0.00 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 0.71 0.00 0.00 59 Y 6.62 4.23 0.00 2.96 2.88 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 60 Q 8.26 4.15 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 61 Y 8.23 4.07 0.00 3.07 2.99 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 62 S 7.54 4.53 0.00 4.08 3.84 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 63 N 8.54 4.45 0.00 2.77 2.76 0.00 0.00 6.95 7.59 0.00 0.00 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 S 8.79 4.23 0.00 3.83 3.87 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 0.00 0.00 0.00 65 R 8.26 4.03 0.00 1.78 1.98 0.00 3.34 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 66 S 8.15 4.13 0.00 4.02 3.86 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 67 G 8.42 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.54 0.00 2.07 2.07 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 69 S 8.57 4.25 0.00 3.87 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 70 S 7.51 4.50 0.00 3.88 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 71 G 8.82 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00