NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3872 8.3001 120.3277 55.4892 33.6285 173.9691 2 A 4.7194 8.6700 120.8531 50.8445 21.9188 175.0648 3 K 5.1973 9.3985 119.5905 54.3974 36.0205 173.9259 4 W 4.9195 9.4557 124.2641 54.7476 32.7140 174.2538 5 R 5.1277 9.1121 125.2030 54.3165 32.4710 174.3017 6 C 3.6579 8.8010 127.4988 59.1622 31.7217 174.3624 7 K 3.9457 8.8736 127.4105 59.4976 31.8113 179.2866 8 I 3.8493 7.9172 120.5021 63.9768 37.1287 176.5141 9 C 4.6488 7.8014 110.0208 57.0163 30.6396 174.6996 10 G 3.8907 8.4735 108.8127 45.5460 0.0000 173.1416 11 Y 4.2399 7.8231 121.5465 57.9056 39.9739 174.6510 12 I 4.8561 7.6450 126.7495 59.6842 38.9625 174.2925 13 Y 4.4732 9.3644 129.6932 56.8600 40.2493 173.4430 14 D 4.8017 7.9105 126.9362 52.3906 42.6404 176.2059 15 E 3.9232 8.8535 127.1298 59.9389 30.0397 179.4953 16 D 4.2839 8.2411 118.6236 57.2099 40.7901 178.2681 17 E 4.0820 8.2437 116.8528 56.5363 30.6922 178.2348 18 G 3.9103 7.9713 107.0476 45.5924 0.0000 174.0586 19 D 4.9740 8.6201 111.9686 52.8431 42.3000 174.9401 20 P 4.4211 0.0000 0.0000 65.8052 32.0753 178.9435 21 D 4.6322 8.2060 115.7840 55.9815 40.8625 176.3176 22 N 4.9419 8.3241 116.4530 52.4706 37.6496 175.2003 23 G 3.9141 8.8679 106.3877 46.1519 0.0000 173.8669 24 I 4.3402 7.8235 121.3942 59.0952 38.2585 175.6884 25 S 4.5130 8.4296 122.0326 57.3956 63.4608 172.1912 26 P 4.2298 0.0000 0.0000 64.7309 31.4249 176.9393 27 G 3.9035 9.0642 110.5230 45.6045 0.0000 173.4382 28 T 4.1550 7.4029 117.3824 62.5503 68.8816 175.0836 29 K 4.4276 8.4123 126.1856 55.8182 33.2721 177.7927 30 F 3.4389 9.4350 124.9061 61.1583 39.1274 177.4052 31 E 3.8092 7.9398 116.1215 58.2530 29.4749 176.8484 32 D 4.5496 7.4973 118.0816 53.9002 41.5169 176.8089 33 L 3.6770 6.7570 119.9913 53.5246 42.2325 175.2927 34 P 4.2113 0.0000 0.0000 62.7835 31.8422 177.1026 35 D 4.3243 8.7330 121.4496 56.3920 39.0680 177.2288 36 D 4.5552 7.8836 116.2365 53.2928 40.1536 176.2686 37 W 4.1974 7.7716 130.9848 57.4616 31.2089 175.2841 38 V 4.2758 6.7753 116.5205 58.7517 35.3218 174.8516 39 C 3.5956 8.6293 121.8467 59.3567 31.4845 173.2757 40 P 4.0274 0.0000 0.0000 64.6934 31.3559 177.3252 41 L 4.1958 7.5311 119.2573 56.6342 42.4184 176.6798 42 C 4.5677 7.8764 108.8789 57.2039 30.7763 174.5916 43 G 3.7605 8.1776 108.5241 45.3386 0.0000 173.8185 44 A 4.1279 7.5265 122.9809 51.0290 19.1704 175.9658 45 P 4.8666 0.0000 0.0000 61.9387 32.6059 177.5965 46 K 4.2098 8.7265 117.7070 59.5206 31.9691 179.4738 47 S 4.4829 8.2218 111.7705 60.3397 63.3464 174.3891 48 E 4.5277 8.7714 120.9639 56.5179 29.4152 175.1912 49 F 5.5634 8.4697 118.3737 55.9928 41.2608 175.0849 50 E 4.9256 9.0522 118.8486 54.3269 33.3930 174.6127 51 R 3.3675 7.8491 122.2866 56.0128 29.9905 176.0398 52 I 4.2246 8.2028 119.1260 60.7973 39.5910 175.2271 53 E 4.0789 7.4895 127.0828 56.6219 29.4017 174.1633 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 4.39 0.00 2.29 2.14 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 2.63 2.57 0.00 2 A 8.67 4.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.40 5.20 0.00 1.61 1.65 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.33 7.81 4 W 9.46 4.92 0.00 3.41 3.02 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 5 R 9.11 5.13 0.00 1.82 1.74 0.00 3.06 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 6 C 8.80 3.66 0.00 2.33 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 7 K 8.87 3.95 0.00 1.71 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 8 I 7.92 3.85 1.83 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 1.44 0.73 0.90 0.00 0.00 9 C 7.80 4.65 0.00 3.04 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 10 G 8.47 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 11 Y 7.82 4.24 0.00 3.18 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 12 I 7.64 4.86 1.72 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 1.21 0.90 0.87 0.00 0.00 13 Y 9.36 4.47 0.00 3.70 3.26 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 14 D 7.91 4.80 0.00 2.61 2.32 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 0.00 15 E 8.85 3.92 0.00 2.02 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 2.77 2.68 0.00 16 D 8.24 4.28 0.00 2.67 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 17 E 8.24 4.08 0.00 1.96 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 2.23 2.21 0.00 18 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.97 0.00 3.19 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 20 P 0.00 4.42 0.00 2.26 2.12 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 21 D 8.21 4.63 0.00 2.72 2.77 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 0.00 0.00 0.00 22 N 8.32 4.94 0.00 2.81 2.89 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 4.34 2.19 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.90 0.00 0.00 25 S 8.43 4.51 0.00 3.89 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 26 P 0.00 4.23 0.00 2.04 2.17 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 27 G 9.06 3.90 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 0.00 0.00 0.00 28 T 7.40 4.16 4.29 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 1.08 0.00 0.00 29 K 8.41 4.43 0.00 1.80 2.00 0.00 1.69 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.44 7.81 30 F 9.43 3.44 0.00 2.18 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 0.00 0.00 0.00 0.00 31 E 7.94 3.81 0.00 2.02 2.01 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 2.20 2.25 0.00 32 D 7.50 4.55 0.00 2.70 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 33 L 6.76 3.68 0.00 0.81 0.76 -1.33 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.21 0.00 2.19 2.07 0.00 3.37 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 35 D 8.73 4.32 0.00 2.74 2.77 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 0.00 0.00 0.00 36 D 7.88 4.56 0.00 2.79 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 37 W 7.77 4.20 0.00 3.07 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 38 V 6.78 4.28 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 0.67 0.00 0.00 0.65 0.00 0.00 39 C 8.63 3.60 0.00 3.11 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 40 P 0.00 4.03 0.00 1.78 1.91 0.00 2.57 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 2.07 0.00 41 L 7.53 4.20 0.00 1.56 1.65 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.88 4.57 0.00 3.05 2.95 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 43 G 8.18 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 0.00 0.00 0.00 44 A 7.53 4.13 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 45 P 0.00 4.87 0.00 2.31 2.25 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 46 K 8.73 4.21 0.00 1.85 1.90 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.67 7.81 47 S 8.22 4.48 0.00 4.08 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 48 E 8.77 4.53 0.00 2.26 2.01 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 2.38 2.46 0.00 49 F 8.47 5.56 0.00 3.37 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 50 E 9.05 4.93 0.00 1.96 2.04 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 2.18 2.16 0.00 51 R 7.85 3.37 0.00 0.67 1.22 0.00 2.85 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 52 I 8.20 4.22 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.87 0.00 0.00 53 E 7.49 4.08 0.00 1.88 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00