NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.7292 8.4249 118.2260 52.5499 38.9010 174.2995 7 S 4.3374 8.0600 114.7778 57.9719 63.9885 172.1678 8 D 4.6714 8.4955 121.4591 55.3051 42.6850 175.4965 9 F 5.2733 7.7358 114.4997 55.3053 41.9928 173.6259 10 V 4.4007 8.8072 118.2426 61.0328 34.7297 174.1753 11 V 4.6357 8.5967 127.8737 61.9895 33.0910 174.4299 12 I 4.9336 9.0935 129.2772 59.4563 39.9637 174.2783 13 K 4.9397 9.2051 129.4193 54.5531 34.3075 174.9186 14 A 4.5608 8.6986 130.2712 51.7612 19.0444 177.5571 15 L 4.5143 8.9514 122.9840 55.7219 42.4075 176.3509 16 E 4.6804 7.7018 115.5526 54.6166 32.6580 174.2887 17 D 4.4626 8.3749 118.8732 55.5745 41.2973 176.8555 18 G 3.8490 8.6352 109.6329 46.0632 0.0000 174.1383 19 V 3.9817 7.4753 119.0884 62.7543 33.2056 174.7520 20 N 5.3272 8.8529 122.2470 51.5513 42.2304 173.4347 21 V 4.6209 8.9464 125.1250 61.3745 33.5287 174.3693 22 I 4.8068 8.9316 129.7487 59.4707 39.7903 174.7917 23 G 4.2536 9.2215 115.4262 44.9667 0.0000 172.4207 24 L 5.4467 9.0068 125.9278 53.0421 44.1254 176.2572 25 T 4.5304 8.5460 114.0363 61.8141 69.1091 174.1914 26 R 4.1761 7.9290 127.0841 56.4333 30.6650 175.6408 27 G 3.8295 8.8983 110.2166 43.5888 0.0000 173.8581 28 A 4.1746 8.4952 121.8883 54.4319 18.5424 177.7230 29 D 4.8186 7.3098 115.6629 53.1654 42.3428 176.0865 30 T 4.7083 8.1898 119.6390 62.2660 71.0639 173.1219 31 R 4.7175 8.5608 122.6955 55.1827 33.5075 173.5580 32 F 5.2641 8.7561 114.8432 56.9404 38.3111 175.2141 33 H 4.7889 9.1707 117.1487 56.0098 30.6766 173.8279 34 H 4.8510 8.0639 118.4585 55.0317 33.4127 171.8823 35 S 4.9170 8.4941 120.4288 56.5527 64.1265 172.4615 36 E 4.4543 9.1393 130.3779 54.9263 30.7265 175.0995 37 K 4.8460 8.6130 126.9001 55.8325 33.6704 176.2558 38 L 4.9469 9.0861 124.2602 53.1450 45.1502 175.9669 39 D 5.0934 9.6581 123.3397 52.0922 43.7299 175.7818 40 K 4.0944 8.7222 121.4396 59.0992 32.1281 176.6076 41 G 4.0680 9.2181 115.5507 45.2087 0.0000 173.4320 42 E 4.2841 8.2712 119.6717 56.1585 30.8651 175.9319 43 V 4.9445 8.2972 122.1504 61.0329 34.2292 174.2236 44 L 4.7231 9.0185 129.7172 53.2884 44.7291 174.9430 45 I 4.9818 8.4861 126.4137 59.7147 38.9633 174.4818 46 A 4.7568 8.7954 129.3513 50.0151 21.6831 175.6296 47 Q 4.8146 8.6324 120.8590 55.2473 30.3849 175.5085 48 F 4.8970 8.5741 120.0979 57.4708 40.0355 175.4251 49 T 4.7483 8.9173 111.7897 59.8126 72.0757 173.2437 50 E 3.9800 8.9535 121.8903 59.4152 29.5366 177.2579 51 H 4.6125 8.1603 113.4277 56.1024 29.9533 174.0326 52 T 5.8987 8.6390 117.1820 60.7833 70.8250 174.3286 53 S 5.1404 8.7753 119.2416 57.6369 65.0739 173.0467 54 A 5.0062 7.8666 120.3188 51.4783 22.3148 175.6378 55 I 5.0519 8.7198 121.7309 59.3029 40.7237 174.8680 56 K 4.6088 9.1129 127.1276 54.5042 35.3129 174.6823 57 V 4.8276 8.5033 126.6555 61.3036 33.5877 174.4722 58 R 4.4963 8.5935 127.4118 55.5045 32.6313 175.4544 59 G 3.6873 8.8055 108.2543 43.9253 0.0000 172.2439 60 K 5.1471 9.0123 120.3723 54.7829 32.8698 175.8905 61 A 5.1442 8.5338 128.6203 50.5218 23.5679 173.5692 62 Y 4.8159 9.0242 121.2552 56.3116 40.6082 174.5104 63 I 5.0582 8.3454 127.3449 59.5494 40.8324 174.4265 64 Q 5.0783 8.9079 125.2842 54.3518 31.8101 174.8566 65 T 4.6359 8.7619 112.9495 59.4019 72.4851 174.4520 66 R 3.6865 8.5404 120.7855 59.8727 29.7423 176.3345 67 H 4.6133 7.6092 111.7592 55.3126 29.0959 173.4095 68 G 3.6676 7.8242 106.5535 43.9989 0.0000 173.1696 69 V 4.4352 7.9298 111.6762 60.5624 32.8076 175.9641 70 I 4.6307 8.6297 123.3860 59.4453 42.0214 173.2620 71 E 5.1578 8.6771 126.2634 54.5346 31.9129 175.6804 72 S 4.7081 8.6629 119.2427 57.5088 65.2000 172.9955 73 E 4.9305 8.5565 120.6394 54.1975 33.0326 176.1906 74 G 3.7111 8.6427 110.3867 45.9691 0.0000 173.4682 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 6 N 8.42 4.73 0.00 2.87 3.01 0.00 0.00 6.11 6.76 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 7 S 8.06 4.34 0.00 4.12 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 8 D 8.50 4.67 0.00 2.77 2.67 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 0.00 0.00 0.00 9 F 7.74 5.27 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.40 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 0.91 0.00 0.00 0.81 0.00 0.00 11 V 8.60 4.64 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 0.98 0.00 0.00 1.13 0.00 0.00 12 I 9.09 4.93 1.88 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 1.11 0.51 0.93 0.00 0.00 13 K 9.21 4.94 0.00 1.88 1.79 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.70 4.56 1.38 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 0.00 0.00 15 L 8.95 4.51 0.00 1.69 1.73 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.68 0.00 2.01 1.89 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 2.17 2.32 0.00 17 D 8.37 4.46 0.00 2.68 2.63 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 18 G 8.64 3.85 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 0.00 0.00 0.00 19 V 7.48 3.98 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 0.94 0.00 0.00 1.01 0.00 0.00 20 N 8.85 5.33 0.00 2.59 2.57 0.00 0.00 6.72 7.82 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 21 V 8.95 4.62 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 0.92 0.00 0.00 22 I 8.93 4.81 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.52 0.81 0.00 0.00 23 G 9.22 4.25 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 0.00 24 L 9.01 5.45 0.00 1.83 1.67 1.09 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.55 4.53 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 1.34 0.00 0.00 26 R 7.93 4.18 0.00 1.89 1.93 0.00 3.23 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.50 4.17 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 29 D 7.31 4.82 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.71 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 1.25 0.00 0.00 31 R 8.56 4.72 0.00 1.86 2.03 0.00 2.60 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 32 F 8.76 5.26 0.00 2.98 3.12 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 33 H 9.17 4.79 0.00 3.11 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.06 4.85 0.00 3.32 3.12 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.49 4.92 0.00 3.54 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 36 E 9.14 4.45 0.00 2.18 1.82 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 2.27 2.34 0.00 37 K 8.61 4.85 0.00 1.66 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.53 7.81 38 L 9.09 4.95 0.00 1.50 1.52 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.66 5.09 0.00 2.55 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 40 K 8.72 4.09 0.00 1.68 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.22 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.27 4.28 0.00 1.95 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 2.37 0.00 43 V 8.30 4.94 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 44 L 9.02 4.72 0.00 1.75 1.47 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.98 1.76 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 1.24 0.77 0.64 0.00 0.00 46 A 8.80 4.76 1.15 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 0.00 0.00 47 Q 8.63 4.81 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 48 F 8.57 4.90 0.00 3.03 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 49 T 8.92 4.75 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 1.32 0.00 0.00 50 E 8.95 3.98 0.00 1.92 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 2.05 2.28 0.00 51 H 8.16 4.61 0.00 3.25 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.64 5.90 4.37 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 0.00 0.00 0.00 1.41 0.00 0.00 53 S 8.78 5.14 0.00 3.82 4.05 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 54 A 7.87 5.01 1.31 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 0.00 0.00 0.00 55 I 8.72 5.05 1.86 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.87 0.00 0.00 56 K 9.11 4.61 0.00 1.80 1.60 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.50 4.83 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 8.59 4.50 0.00 1.75 1.76 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 59 G 8.81 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.01 5.15 0.00 1.89 1.73 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.25 7.81 61 A 8.53 5.14 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 62 Y 9.02 4.82 0.00 3.01 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 63 I 8.35 5.06 1.92 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 0.60 0.92 0.00 0.00 64 Q 8.91 5.08 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 65 T 8.76 4.64 4.11 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 1.17 0.00 0.00 66 R 8.54 3.69 0.00 1.58 1.78 0.00 3.16 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 67 H 7.61 4.61 0.00 3.20 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.82 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.93 4.44 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.84 0.00 0.00 70 I 8.63 4.63 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 1.19 1.61 0.85 0.00 0.00 71 E 8.68 5.16 0.00 1.87 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 2.29 2.23 0.00 72 S 8.66 4.71 0.00 3.92 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 73 E 8.56 4.93 0.00 1.82 1.85 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 2.21 2.28 0.00 74 G 8.64 3.71 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 0.00 0.00 0.00