NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9711 8.1976 109.7361 45.3134 0.0000 175.9435 0 S 3.9794 8.8234 115.8344 60.6613 63.0800 173.6536 1 M 4.3367 8.2508 120.5295 54.8322 32.9115 177.2316 2 A 4.1362 7.6134 122.7251 52.2674 19.0387 178.1047 3 T 4.3648 8.1210 110.8350 60.9237 70.1526 174.5179 4 V 4.4688 7.7696 120.5735 58.9344 34.5940 173.6541 5 P 4.2782 0.0000 0.0000 62.9889 32.3130 175.5749 6 V 4.8147 7.6887 114.6731 60.0159 35.6927 173.8753 7 Y 4.8128 8.4361 118.8223 56.9659 43.5330 175.0491 8 C 3.3055 8.5043 120.6075 58.3377 32.0203 173.9914 9 V 3.9684 8.5426 113.1398 64.1050 31.1628 177.4933 10 C 4.2802 8.2034 112.7332 58.3878 30.4556 173.2388 11 R 4.0125 7.1732 117.0283 56.4267 27.7168 175.6528 12 L 4.7632 7.3645 116.1279 52.2630 44.4437 175.2465 13 P 5.4435 0.0000 0.0000 61.6156 32.0977 175.8174 14 Y 4.3528 8.6257 121.0138 57.8026 39.3792 174.7654 15 D 4.4541 8.0610 124.9283 52.1553 42.9139 176.5511 16 V 3.2531 7.8028 120.6585 63.3444 31.6211 177.1660 17 T 4.2618 8.0001 109.0839 61.7302 69.2356 174.7088 18 R 4.6760 7.4925 121.9073 53.9965 32.9727 175.3125 19 F 4.5260 8.8204 124.9073 58.8653 40.5615 173.6416 20 M 4.9655 7.7359 123.3137 53.4547 36.3084 174.2347 21 I 4.4848 8.4475 120.9757 59.0963 41.7080 173.6691 22 E 3.9325 8.0894 129.4377 55.0068 30.6242 175.0378 23 C 4.6466 8.9162 128.0617 59.1580 32.0598 174.0262 24 D 4.2781 9.2807 126.7966 56.7056 40.9472 176.9620 25 A 4.1043 7.6540 121.7020 54.4753 19.3981 177.9961 26 C 4.2175 7.8148 108.6633 58.2186 30.5615 175.1819 27 K 3.7385 7.9566 118.4235 56.9462 29.5103 175.0771 28 D 4.8347 7.5202 118.9542 53.7433 43.0855 174.7688 29 W 4.8637 8.5497 120.1111 54.7836 32.6734 174.9457 30 F 5.0498 8.9613 120.7758 55.7023 42.7570 174.3783 31 H 4.6960 9.0094 120.9673 55.6269 29.3984 176.4298 32 G 4.4210 9.1309 112.9317 47.5830 0.0000 176.0272 33 S 4.2287 8.1905 114.7033 61.1124 63.2009 175.7021 34 C 4.4742 8.1278 119.5270 61.2173 28.1079 174.5879 35 V 4.3672 7.6119 110.4911 60.3807 32.4105 175.2323 36 G 3.8276 8.3273 107.0670 46.9770 0.0000 173.9713 37 V 4.5020 8.0983 119.2748 60.5333 33.9311 174.2980 38 E 4.4670 9.5564 127.4789 55.4506 30.4042 177.1552 39 E 2.5400 8.4977 123.0348 59.1488 29.2830 179.0887 40 E 3.9872 7.8362 116.2620 58.1669 30.0041 177.9456 41 E 4.2511 7.9946 117.2418 57.9004 30.1000 178.2399 42 A 4.0446 7.5312 122.1529 54.6820 18.1960 177.6540 43 P 4.2108 0.0000 0.0000 65.4851 31.7264 177.0818 44 D 4.5541 8.0772 116.9245 55.3796 41.2210 176.0972 45 I 4.3769 7.6882 121.6665 60.8861 37.0576 174.1318 46 D 4.4639 8.2894 127.9790 54.5251 40.6930 175.6547 47 I 4.2725 7.8121 120.4693 60.0600 39.2102 174.0900 48 Y 4.6592 8.4819 129.2657 56.6945 40.2770 173.8043 49 H 4.6258 7.8567 124.1624 53.2913 31.4058 174.4211 50 C 3.8804 7.6255 120.4926 56.6126 31.2503 172.7094 51 P 4.5586 0.0000 0.0000 65.2077 30.5854 178.4905 52 N 4.4634 7.8773 114.5349 56.6559 38.5923 177.2374 53 C 4.2539 7.8870 117.3156 62.2710 28.0722 175.4851 54 E 4.2448 8.1322 122.3412 58.8832 28.8492 179.5493 55 K 3.9567 7.5309 116.0589 58.8470 32.1364 178.3916 56 T 4.4363 7.7635 106.9384 61.6514 70.5881 174.8258 57 H 4.7322 8.5183 116.7916 54.1954 29.8744 175.5012 58 G 4.0540 7.7443 106.4190 44.9305 0.0000 173.4277 59 K 4.1354 8.0224 117.9962 55.7816 32.7025 177.5035 60 S 4.4319 8.3432 117.1346 59.4355 63.5302 173.8137 61 T 4.6972 8.7216 112.1239 60.0982 71.8083 172.9062 62 L 5.1493 8.1707 121.5733 52.7258 44.1568 176.6748 63 K 4.1679 8.8248 122.5000 56.8069 32.0634 177.6717 64 K 4.2771 8.8563 123.3480 57.2339 32.7776 176.7254 65 K 4.7469 7.5342 116.3141 55.3228 35.5489 175.5134 66 R 4.6624 8.1043 117.5724 54.7569 34.0159 175.1685 67 T 4.2877 8.4934 117.9951 62.6255 68.8074 174.3182 68 W 4.9263 8.7105 135.0000 57.8189 32.0116 175.6291 69 H 3.9653 8.0102 120.5015 55.9836 27.4977 174.8800 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 8.20 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 0.00 0.00 0.00 0 S 8.82 3.98 0.00 4.07 4.02 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 1 M 8.25 4.34 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 2 A 7.61 4.14 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 3 T 8.12 4.36 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 V 7.77 4.47 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 0.78 0.00 0.00 0.96 0.00 0.00 5 P 0.00 4.28 0.00 2.00 1.75 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 6 V 7.69 4.81 1.91 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 0.69 0.00 0.00 0.81 0.00 0.00 7 Y 8.44 4.81 0.00 2.77 2.89 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 8 C 8.50 3.31 0.00 3.15 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 9 V 8.54 3.97 2.21 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 1.06 0.00 0.00 1.09 0.00 0.00 10 C 8.20 4.28 0.00 3.14 3.14 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 0.00 0.00 0.00 0.00 11 R 7.17 4.01 0.00 2.04 2.01 0.00 3.44 0.00 0.00 3.10 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 12 L 7.36 4.76 0.00 1.83 1.64 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.44 0.00 2.10 2.04 0.00 3.78 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 14 Y 8.63 4.35 0.00 2.79 2.90 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 15 D 8.06 4.45 0.00 2.59 2.41 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 0.00 0.00 0.00 0.00 16 V 7.80 3.25 1.95 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 0.45 0.00 0.00 0.80 0.00 0.00 17 T 8.00 4.26 4.21 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 1.15 0.00 0.00 18 R 7.49 4.68 0.00 1.86 1.94 0.00 3.17 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 19 F 8.82 4.53 0.00 3.37 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 20 M 7.74 4.97 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 21 I 8.45 4.48 1.63 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.34 0.31 0.00 0.00 22 E 8.09 3.93 0.00 1.16 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 1.70 1.47 0.00 23 C 8.92 4.65 0.00 3.18 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 24 D 9.28 4.28 0.00 2.60 2.68 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 25 A 7.65 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.81 4.22 0.00 3.17 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 27 K 7.96 3.74 0.00 1.98 1.99 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.51 7.81 28 D 7.52 4.83 0.00 2.89 2.38 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 29 W 8.55 4.86 0.00 2.92 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 30 F 8.96 5.05 0.00 2.96 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 31 H 9.01 4.70 0.00 3.36 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.13 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.23 0.00 4.09 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 34 C 8.13 4.47 0.00 3.34 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 35 V 7.61 4.37 2.19 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 0.84 0.00 0.00 1.11 0.00 0.00 36 G 8.33 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 37 V 8.10 4.50 2.17 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 1.09 0.00 0.00 0.96 0.00 0.00 38 E 9.56 4.47 0.00 2.02 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 0.00 2.30 2.37 0.00 39 E 8.50 2.54 0.00 1.32 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.67 0.00 40 E 7.84 3.99 0.00 1.90 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 2.23 2.26 0.00 41 E 7.99 4.25 0.00 2.19 2.16 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 2.45 2.31 0.00 42 A 7.53 4.04 1.46 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 0.00 0.00 0.00 43 P 0.00 4.21 0.00 2.07 2.17 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 44 D 8.08 4.55 0.00 2.90 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 45 I 7.69 4.38 2.03 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 1.25 0.51 1.09 0.00 0.00 46 D 8.29 4.46 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.81 4.27 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.73 0.00 0.00 48 Y 8.48 4.66 0.00 3.08 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 49 H 7.86 4.63 0.00 2.84 2.88 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.63 3.88 0.00 1.97 1.95 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 51 P 0.00 4.56 0.00 1.99 2.14 0.00 3.43 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 52 N 7.88 4.46 0.00 2.73 2.86 0.00 0.00 7.16 7.66 0.00 0.00 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 C 7.89 4.25 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 54 E 8.13 4.24 0.00 2.09 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 2.23 2.31 0.00 55 K 7.53 3.96 0.00 1.82 1.85 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.56 7.81 56 T 7.76 4.44 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 1.15 0.00 0.00 57 H 8.52 4.73 0.00 2.95 3.11 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.74 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 0.00 0.00 0.00 59 K 8.02 4.14 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 60 S 8.34 4.43 0.00 3.76 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 61 T 8.72 4.70 4.23 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 1.18 0.00 0.00 62 L 8.17 5.15 0.00 1.53 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.82 4.17 0.00 1.62 1.95 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.63 7.81 64 K 8.86 4.28 0.00 1.74 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 65 K 7.53 4.75 0.00 1.81 1.73 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.47 7.81 66 R 8.10 4.66 0.00 1.77 1.86 0.00 3.39 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 67 T 8.49 4.29 4.30 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 1.26 0.00 0.00 68 W 8.71 4.93 0.00 3.14 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 69 H 8.01 3.97 0.00 3.16 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00