NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9452 8.3393 109.7430 45.4685 0.0000 174.6261 2 T 3.9982 8.1207 110.8760 58.8354 70.7752 172.7926 3 K 3.9062 9.2882 122.4586 60.1954 32.8719 180.4053 4 Q 3.8797 7.9309 118.6233 58.8401 28.8281 178.4112 5 E 3.2878 7.9635 119.7443 59.0294 29.4427 179.6341 6 K 4.0357 8.2380 119.0512 60.1161 32.6540 179.3619 7 T 3.7826 8.1995 117.0794 66.3507 68.4151 176.3127 8 A 3.9366 7.7469 122.5262 55.1237 18.3453 179.4766 9 L 4.1538 7.8091 118.5956 58.4908 42.1158 178.9587 10 N 4.4413 8.4655 116.6080 56.3808 38.3464 177.1395 11 M 4.1157 8.3409 119.5958 58.5493 32.3560 178.0827 12 A 4.0804 8.2745 121.0087 55.2509 18.5827 179.5745 13 R 3.3080 8.3691 117.2673 59.3957 30.0907 178.0755 14 Y 4.1481 8.3623 119.6157 60.9004 38.8546 178.0406 15 I 3.4689 8.0985 121.0374 64.3687 37.2219 178.3353 16 R 3.8065 7.8640 119.3950 59.5567 29.9236 178.5859 17 S 4.0754 8.0904 112.8661 61.1776 62.2602 176.1522 18 Q 3.8058 8.3756 121.5177 59.1001 28.3131 178.8649 19 T 3.8949 7.9211 110.7664 64.5351 68.6801 176.3690 20 L 3.8405 7.8848 123.1729 58.2619 42.1711 179.0390 21 T 3.8311 7.9005 115.7122 66.5250 68.3102 176.4415 22 L 3.9272 8.2833 122.7056 57.8265 42.0646 178.5187 23 L 3.8830 8.2089 120.8099 58.2057 41.9735 178.4843 24 E 3.8772 8.0779 118.9544 59.3904 29.5869 178.7632 25 K 3.9041 8.0408 118.2814 59.7374 32.0443 179.3231 26 L 4.0405 8.1667 119.1169 57.5682 41.5374 179.1179 27 N 4.2775 8.5299 117.0054 56.5197 38.3385 177.0365 28 E 3.9778 8.3939 119.4113 58.9926 29.7845 177.9978 29 L 4.2396 7.7893 116.3865 54.3204 41.9215 176.4494 30 D 4.3822 7.7755 117.3287 55.3591 39.2724 175.3551 31 A 4.4239 7.9007 123.0042 50.4967 16.3903 177.7787 32 D 4.3027 8.0269 124.2082 57.1723 41.5217 178.1382 33 E 4.0086 8.1119 118.3594 59.4264 29.4436 179.3817 34 Q 3.9786 7.9867 117.4195 58.7306 28.9905 177.9500 35 A 4.0057 8.3272 122.2323 55.5129 18.2485 179.4824 36 D 4.3414 8.2092 117.1431 57.4953 40.7868 179.0636 37 I 3.7087 7.6168 119.9054 64.6049 37.0648 178.1204 38 C 4.1095 8.4792 119.9393 62.0876 31.3772 175.1747 39 E 3.9083 8.6217 121.6635 59.2353 29.2508 178.7102 40 S 4.0603 7.8429 112.9003 61.3965 62.4059 175.6484 41 L 3.9770 8.1837 123.2702 58.6119 41.6979 178.4956 42 H 4.2275 8.5775 119.6994 58.8133 29.7298 176.8340 43 D 4.3506 8.0863 120.6129 57.8194 40.6678 178.4641 44 H 4.2059 8.3834 118.4037 59.0223 29.8154 177.1782 45 A 3.9720 8.2619 123.0569 55.1446 18.1527 178.9450 46 D 4.3278 8.5855 116.8803 57.4709 41.1737 177.9019 47 E 3.9141 8.4162 119.9660 59.3695 29.5279 178.5143 48 L 3.9453 8.0405 120.0314 58.4079 42.1503 178.1877 49 Y 4.2839 8.4559 119.7306 60.9799 38.6806 178.4419 50 R 3.6229 8.3601 119.2207 59.1798 30.2619 178.9411 51 S 3.9807 8.2459 113.1455 61.6313 62.2740 176.0968 52 C 3.8645 8.2683 119.5745 62.2971 27.8739 175.6856 53 L 3.7898 8.0565 122.1927 58.0678 41.4154 178.7406 54 A 3.8720 7.5727 119.1291 55.2850 18.3586 179.2801 55 R 3.7990 7.3385 115.3003 58.7309 30.3144 177.7354 56 F 5.0354 8.0387 114.8951 56.6451 40.1374 176.5958 57 G 3.8145 7.4457 108.1443 44.9552 0.0000 173.6220 58 D 4.5282 8.6186 120.1172 54.4805 40.7871 176.5458 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 3.95 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 2 T 8.12 4.00 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 1.21 0.00 0.00 3 K 9.29 3.91 0.00 2.02 2.09 0.00 1.36 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 4 Q 7.93 3.88 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 5 E 7.96 3.29 0.00 2.15 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 2.20 2.25 0.00 6 K 8.24 4.04 0.00 2.02 2.07 0.00 1.19 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.70 7.81 7 T 8.20 3.78 4.33 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 1.17 0.00 0.00 8 A 7.75 3.94 1.07 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 9 L 7.81 4.15 0.00 2.07 1.92 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.47 4.44 0.00 2.79 2.86 0.00 0.00 6.66 7.19 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 11 M 8.34 4.12 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 12 A 8.27 4.08 1.60 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 0.00 0.00 13 R 8.37 3.31 0.00 1.98 2.08 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.00 14 Y 8.36 4.15 0.00 3.13 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 15 I 8.10 3.47 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.87 0.00 0.00 16 R 7.86 3.81 0.00 1.82 1.92 0.00 2.67 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 17 S 8.09 4.08 0.00 3.88 3.77 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 18 Q 8.38 3.81 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 19 T 7.92 3.89 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 1.22 0.00 0.00 20 L 7.88 3.84 0.00 1.86 1.80 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.90 3.83 4.32 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 1.19 0.00 0.00 22 L 8.28 3.93 0.00 1.76 1.77 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.21 3.88 0.00 1.84 1.82 0.96 0.66 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 24 E 8.08 3.88 0.00 2.17 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 2.29 2.34 0.00 25 K 8.04 3.90 0.00 2.00 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 26 L 8.17 4.04 0.00 1.81 1.70 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.53 4.28 0.00 2.91 2.86 0.00 0.00 6.63 7.27 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 28 E 8.39 3.98 0.00 1.96 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 0.00 2.32 2.35 0.00 29 L 7.79 4.24 0.00 1.83 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.78 4.38 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.42 1.30 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 0.00 0.00 0.00 32 D 8.03 4.30 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.01 0.00 2.05 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 0.00 2.40 2.46 0.00 34 Q 7.99 3.98 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 35 A 8.33 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.21 4.34 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.71 2.02 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 1.41 0.81 0.92 0.00 0.00 38 C 8.48 4.11 0.00 3.06 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 39 E 8.62 3.91 0.00 2.18 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 2.32 2.31 0.00 40 S 7.84 4.06 0.00 3.90 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 41 L 8.18 3.98 0.00 1.87 1.84 0.91 1.22 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 42 H 8.58 4.23 0.00 3.26 3.48 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.09 4.35 0.00 3.00 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 44 H 8.38 4.21 0.00 3.37 3.42 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.26 3.97 1.34 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 0.00 0.00 46 D 8.59 4.33 0.00 2.66 2.83 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 47 E 8.42 3.91 0.00 2.08 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 0.00 2.34 2.34 0.00 48 L 8.04 3.95 0.00 1.84 1.86 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.46 4.28 0.00 2.99 3.16 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 50 R 8.36 3.62 0.00 2.05 1.89 0.00 3.25 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 51 S 8.25 3.98 0.00 3.83 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 52 C 8.27 3.86 0.00 3.23 3.25 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 53 L 8.06 3.79 0.00 1.32 1.49 0.66 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.57 3.87 1.23 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 0.00 0.00 55 R 7.34 3.80 0.00 1.49 1.08 0.00 2.97 0.00 0.00 2.70 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.39 0.00 56 F 8.04 5.04 0.00 3.12 3.08 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 0.00 0.00 0.00 57 G 7.45 3.81 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 0.00 0.00 0.00 58 D 8.62 4.53 0.00 2.68 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