NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5873 8.3649 120.1922 53.7864 41.3232 175.8336 6 C 4.4581 8.4897 124.3790 56.1230 40.8878 173.5848 7 C 4.5050 10.3466 123.1449 57.4544 41.0938 173.6280 8 L 4.3201 7.9165 121.6545 54.1796 42.7256 176.0143 9 G 3.6278 6.7525 105.3722 45.5067 0.0000 172.0020 10 Y 5.1777 8.0585 115.4509 55.8804 41.4475 175.6895 11 T 4.1056 8.9293 118.3289 62.7468 67.8921 173.7011 12 D 4.9361 8.6776 124.3928 53.1077 40.3192 176.2109 13 R 4.5650 7.3327 118.3956 54.1006 32.8036 175.7657 14 I 2.0000 7.6485 122.2471 60.3780 37.6288 175.1491 15 L 4.5249 6.6953 125.8032 52.9659 43.9180 175.4451 16 H 4.2252 8.7938 125.9664 55.3249 30.6788 174.1547 17 P 4.1835 0.0000 0.0000 65.2542 31.3035 178.0396 18 K 4.0719 8.2256 115.3031 58.1938 32.8102 177.2348 19 F 4.8720 8.2846 118.3084 57.3988 39.8454 174.8715 20 I 4.9048 7.6061 122.4950 59.8334 38.3605 175.9285 21 V 4.2958 9.1332 117.7507 60.4027 32.8903 175.7494 22 G 4.2725 7.4121 105.3159 47.1443 0.0000 171.0397 23 F 5.4926 8.0916 113.3457 56.2494 40.9090 173.5634 24 T 4.6371 8.9134 115.9570 61.8145 71.9117 173.6448 25 R 4.6606 8.6220 124.3552 55.2561 31.3998 175.4140 26 Q 4.5741 8.9799 126.6860 54.4370 30.8003 174.2593 27 L 5.1432 8.4241 125.7175 52.7066 44.5397 176.4755 28 A 4.4109 9.1637 124.9956 52.6123 16.8703 176.2874 29 N 4.6573 8.7380 122.0929 53.3854 39.6358 175.5211 30 E 4.1463 8.9367 115.8293 59.6648 30.0350 178.6868 31 G 3.7400 8.5172 107.6408 47.9206 0.0000 173.3052 32 C 5.0879 7.6808 115.1647 54.6896 43.7153 174.9453 33 D 4.2728 8.6734 121.8880 55.8464 41.0108 176.3450 34 I 4.8133 7.2348 110.8608 58.6788 40.8736 174.9948 35 N 4.9244 8.8338 120.3259 53.6750 39.3091 174.3332 36 A 4.7226 9.1149 122.8354 51.0140 23.6406 175.0716 37 I 4.1247 8.3542 121.2086 60.2364 38.9816 175.2398 38 I 4.6534 8.4547 128.9076 59.5793 38.3643 175.0930 39 F 5.0007 8.9084 127.1014 57.6796 40.3684 174.4118 40 H 5.6060 9.4542 120.1257 54.4294 31.2991 174.0682 41 T 5.0475 8.6097 112.8792 59.5338 71.4098 175.4556 42 K 4.0764 8.8907 123.6881 59.3509 32.2125 177.5950 43 K 4.2726 8.0409 115.0343 56.5659 32.6504 176.8441 44 K 3.9942 8.4793 117.4916 57.4278 30.0628 175.6696 45 L 4.2798 7.6780 120.7267 54.9049 42.7008 175.5268 46 S 5.3644 8.4854 120.8906 57.1624 64.9435 173.9021 47 V 4.4199 9.0635 123.8723 61.0096 34.1341 173.9533 48 C 4.9915 8.9448 126.1912 57.2767 42.3651 172.9009 49 A 5.1739 9.2444 124.3760 50.0224 23.0484 174.9564 50 N 3.2599 8.2891 118.8892 52.1392 38.9179 174.3611 51 P 4.0047 0.0000 0.0000 64.5958 31.5331 177.4533 52 K 4.1474 7.9798 116.5375 57.2566 32.7596 177.7601 53 Q 4.2448 7.6825 119.3955 55.4363 30.6617 177.0620 54 T 3.8943 8.4070 120.2407 66.4588 68.6638 177.0681 55 W 4.3566 8.2864 118.3319 59.5609 27.9603 178.4100 56 V 3.0244 6.7402 118.3638 65.5047 30.9194 177.9453 57 K 3.7958 7.7192 118.1444 59.5711 31.9109 178.5932 58 Y 4.2025 8.3018 119.9757 60.9973 38.7139 178.4184 59 I 3.4052 7.8980 120.6386 63.9183 36.9323 178.3568 60 V 3.3392 7.7450 118.6926 66.1445 31.3979 177.8891 61 R 4.0532 8.0439 117.6315 59.3689 29.6870 178.9895 62 L 3.9006 7.4590 117.4493 57.8261 41.6362 179.3623 63 L 4.2807 8.1557 118.4160 57.0190 41.3226 178.4247 64 S 4.7868 7.3949 114.0645 58.3257 62.9047 174.2929 65 K 4.2018 7.7040 127.4978 56.7203 32.9600 176.0797 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 5 D 8.36 4.59 0.00 2.64 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 6 C 8.49 4.46 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 7 C 10.35 4.50 0.00 2.96 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.32 0.00 1.53 1.60 0.90 0.82 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 9 G 6.75 3.63 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 0.00 0.00 0.00 10 Y 8.06 5.18 0.00 3.01 2.82 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 11 T 8.93 4.11 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 12 D 8.68 4.94 0.00 2.86 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 13 R 7.33 4.56 0.00 1.71 1.73 0.00 3.14 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 14 I 7.65 2.00 1.42 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.00 0.43 0.00 0.00 15 L 6.70 4.52 0.00 1.57 1.60 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.79 4.23 0.00 3.27 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.18 0.00 2.16 2.01 0.00 3.12 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 18 K 8.23 4.07 0.00 1.51 1.67 0.00 1.06 0.00 0.00 0.86 0.00 0.00 2.38 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.49 0.21 7.81 19 F 8.28 4.87 0.00 3.32 3.03 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 20 I 7.61 4.90 1.86 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.76 1.08 0.00 0.00 21 V 9.13 4.30 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 0.74 0.00 0.00 1.09 0.00 0.00 22 G 7.41 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.09 5.49 0.00 2.82 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 24 T 8.91 4.64 4.27 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 0.00 0.00 1.23 0.00 0.00 25 R 8.62 4.66 0.00 1.73 1.92 0.00 3.45 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 26 Q 8.98 4.57 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 27 L 8.42 5.14 0.00 1.55 1.55 0.92 0.86 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 28 A 9.16 4.41 1.24 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 29 N 8.74 4.66 0.00 2.92 2.89 0.00 0.00 6.72 7.28 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 30 E 8.94 4.15 0.00 1.98 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 2.31 2.31 0.00 31 G 8.52 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.68 5.09 0.00 3.08 2.93 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 33 D 8.67 4.27 0.00 2.65 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 34 I 7.23 4.81 1.92 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.88 0.00 0.00 35 N 8.83 4.92 0.00 2.66 2.78 0.00 0.00 6.69 7.35 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 36 A 9.11 4.72 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 37 I 8.35 4.12 1.17 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.39 -0.26 0.00 0.00 38 I 8.45 4.65 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.92 0.00 0.00 39 F 8.91 5.00 0.00 3.31 2.97 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 40 H 9.45 5.61 0.00 3.17 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.61 5.05 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 K 8.89 4.08 0.00 1.82 2.00 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.48 7.81 43 K 8.04 4.27 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 44 K 8.48 3.99 0.00 1.91 2.01 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 45 L 7.68 4.28 0.00 1.78 1.56 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.49 5.36 0.00 3.86 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 47 V 9.06 4.42 2.35 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 1.28 0.00 0.00 1.05 0.00 0.00 48 C 8.94 4.99 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 5.17 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 0.00 0.00 0.00 0.00 0.00 50 N 8.29 3.26 0.00 1.89 2.48 0.00 0.00 7.06 7.71 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 51 P 0.00 4.00 0.00 1.92 1.92 0.00 3.35 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 52 K 7.98 4.15 0.00 1.77 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.30 7.81 53 Q 7.68 4.24 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 54 T 8.41 3.89 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 W 8.29 4.36 0.00 3.61 3.34 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 0.00 56 V 6.74 3.02 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 0.77 0.00 0.00 -0.56 0.00 0.00 57 K 7.72 3.80 0.00 1.98 1.81 0.00 1.79 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.50 7.81 58 Y 8.30 4.20 0.00 3.02 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 59 I 7.90 3.41 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.60 0.00 0.00 60 V 7.74 3.34 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 0.44 0.00 0.00 0.20 0.00 0.00 61 R 8.04 4.05 0.00 1.96 1.97 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 62 L 7.46 3.90 0.00 1.57 1.59 0.43 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.16 4.28 0.00 2.09 1.93 1.28 1.08 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 64 S 7.39 4.79 0.00 3.97 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 65 K 7.70 4.20 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.62 7.81