NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.2034 8.4381 109.1379 45.2923 0.0000 174.3791 2 S 3.9717 8.9416 119.6097 61.1994 63.1322 173.3752 3 E 4.4225 9.0079 123.9274 58.8769 29.6512 180.1345 4 E 3.9682 8.2873 118.1139 59.9163 29.5046 178.8896 5 H 4.2207 8.7263 118.1660 58.7928 29.9604 177.2179 6 F 4.1308 8.3116 124.3392 60.5955 39.2568 177.0554 7 V 3.6943 8.0398 117.4732 66.0418 30.9166 177.2097 8 E 3.8313 8.3110 119.1716 59.6008 29.3342 178.9539 9 T 3.7380 7.8496 109.7756 64.8530 68.8239 176.5924 10 V 3.4353 7.3606 120.8696 65.4260 31.2496 177.7576 11 S 2.7900 7.3902 112.1363 61.0012 62.1220 175.9907 12 L 3.9981 7.2053 120.1050 57.4656 40.2795 178.8701 13 A 4.1691 7.8672 120.5938 52.4020 18.3721 178.8977 14 G 3.7312 7.8696 104.7508 45.6416 0.0000 172.8283 15 S 4.9474 7.0933 109.5081 58.1438 66.0966 174.8405 16 Y 4.5078 8.0854 123.7450 57.1638 41.1649 174.6712 17 R 3.7567 7.7188 124.2683 56.7730 29.9926 175.5029 18 D 4.7369 8.3027 118.7918 53.5632 43.6821 175.3616 19 W 4.8311 9.0174 119.3067 56.5979 31.9048 174.9810 20 S 4.9791 9.1073 116.4508 56.7835 65.6368 174.1012 21 Y 4.6890 8.9791 126.2091 58.5010 39.7791 177.1239 22 S 4.5848 8.0157 118.6937 57.5148 65.4386 174.6749 23 G 3.3790 6.4188 116.4619 45.8782 0.0000 173.9975 24 Q 4.1167 7.9781 122.9006 54.6467 28.3037 175.2379 25 R 4.4100 8.3870 122.7434 56.5626 30.3173 176.1956 26 T 4.7265 8.6738 110.0974 60.1754 71.8713 173.7562 27 E 4.0304 9.0052 119.4186 59.5397 29.4093 178.0328 28 L 4.4962 8.1971 116.0572 53.9272 42.6902 175.7334 29 G 4.0370 6.6164 105.0300 44.3638 0.0000 173.6729 30 V 4.8134 8.5853 122.9867 59.3459 34.8070 175.6761 31 E 3.5918 8.9708 123.9274 56.7416 30.2271 175.4239 32 F 4.9827 9.3233 126.6428 58.5358 40.6077 178.0420 33 L 4.6877 8.7103 118.4806 53.9728 42.8488 174.7856 34 K 5.2870 9.4747 124.1824 54.9088 34.8348 175.7365 35 R 4.3599 8.9381 124.7718 55.0434 33.5276 175.4230 36 G 4.1086 8.8210 115.9881 46.9201 0.0000 174.6331 37 D 4.5220 8.7977 123.8293 53.4141 40.0350 175.9587 38 K 4.3527 8.2626 122.1573 55.5894 32.7039 175.4158 39 I 4.9253 8.3988 124.8339 59.4160 39.4250 175.5594 40 V 4.2930 9.2038 128.6258 63.0086 32.8176 174.6341 41 Y 5.2741 9.3530 124.2023 56.5780 41.5125 174.1767 42 H 5.3620 8.7857 115.5637 53.9167 32.3494 172.9599 43 T 4.2865 7.9228 109.8945 61.4714 69.1713 174.9751 44 L 4.0069 8.6049 123.6260 57.6143 41.8693 177.5301 45 E 4.4791 7.7949 116.0474 54.8566 31.3966 175.0172 46 S 4.8060 8.0049 114.3458 55.7482 65.0222 172.3940 47 P 4.1781 0.0000 0.0000 62.6896 31.5546 176.4643 48 V 3.6547 7.9130 120.8268 62.6282 31.9271 175.4592 49 E 4.0968 8.6245 129.7209 55.6948 30.3011 176.5233 50 F 4.8584 8.3512 124.2037 57.5788 40.5601 174.6248 51 H 5.6211 9.3757 118.9408 54.2188 33.4351 172.4306 52 L 5.0103 9.0315 122.1207 55.0462 44.7714 177.1751 53 D 4.6529 9.5496 125.5722 54.0446 41.3885 173.9677 54 G 4.1991 7.3106 116.9940 45.8001 0.0000 172.3847 55 E 4.2777 7.6855 121.9950 54.9135 29.6116 175.7366 56 V 4.2028 8.3875 125.0376 63.3751 32.1433 175.4716 57 L 4.7855 9.0090 128.4352 53.5297 44.4939 175.1322 58 S 4.8674 8.2001 114.3012 56.5356 66.1136 175.7938 59 L 3.6317 8.5592 122.1065 58.4049 41.9796 178.5368 60 D 4.2356 7.8987 117.5399 56.9635 41.1607 178.0559 61 K 3.9229 7.8823 118.5587 59.3381 32.0887 178.3799 62 L 3.6581 7.9044 120.8688 58.3136 41.4316 179.0719 63 K 3.5655 7.0463 116.7946 59.6424 31.8116 179.1638 64 S 4.1262 7.2847 110.7311 61.4976 62.3522 175.9510 65 L 4.2120 7.8794 120.9068 57.5025 41.4532 179.0264 66 L 4.2505 7.9763 118.1089 56.8378 41.5935 177.5210 67 S 4.5419 7.7816 117.2070 58.6605 62.4967 173.3319 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 8.44 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.94 3.97 0.00 4.17 4.06 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 0.00 0.00 0.00 3 E 9.01 4.42 0.00 2.09 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 2.65 0.00 4 E 8.29 3.97 0.00 2.19 2.02 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 2.37 2.38 0.00 5 H 8.73 4.22 0.00 3.39 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.31 4.13 0.00 3.30 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.69 2.15 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 0.95 0.00 0.00 0.44 0.00 0.00 8 E 8.31 3.83 0.00 2.18 1.99 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 2.21 2.27 0.00 9 T 7.85 3.74 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 10 V 7.36 3.44 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 1.04 0.00 0.00 0.29 0.00 0.00 11 S 7.39 2.79 0.00 3.48 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.21 4.00 0.00 1.56 1.63 0.85 0.63 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 13 A 7.87 4.17 1.32 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 0.00 0.00 14 G 7.87 3.73 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 0.00 0.00 0.00 15 S 7.09 4.95 0.00 3.84 3.73 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 16 Y 8.09 4.51 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.76 0.00 2.24 1.92 0.00 3.41 0.00 0.00 3.21 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.73 0.00 18 D 8.30 4.74 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.02 4.83 0.00 3.34 3.27 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 20 S 9.11 4.98 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.98 4.69 0.00 2.85 2.96 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 0.00 0.00 0.00 22 S 8.02 4.58 0.00 3.72 2.96 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 0.00 0.00 0.00 23 G 6.42 3.38 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 0.00 24 Q 7.98 4.12 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 25 R 8.39 4.41 0.00 1.96 1.91 0.00 3.19 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 26 T 8.67 4.73 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 1.36 0.00 0.00 27 E 9.01 4.03 0.00 1.96 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 2.33 2.36 0.00 28 L 8.20 4.50 0.00 1.19 1.30 0.76 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.62 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.59 4.81 1.99 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 0.36 0.00 0.00 0.87 0.00 0.00 31 E 8.97 3.59 0.00 1.85 1.72 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 1.83 2.26 0.00 32 F 9.32 4.98 0.00 3.00 2.23 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 33 L 8.71 4.69 0.00 1.00 1.48 0.93 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.47 5.29 0.00 1.70 1.73 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 35 R 8.94 4.36 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.07 0.00 36 G 8.82 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 0.00 0.00 0.00 0.00 37 D 8.80 4.52 0.00 2.80 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 38 K 8.26 4.35 0.00 1.52 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.27 1.50 7.81 39 I 8.40 4.93 2.10 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 1.28 0.86 0.58 0.00 0.00 40 V 9.20 4.29 2.03 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 0.97 0.00 0.00 0.66 0.00 0.00 41 Y 9.35 5.27 0.00 3.06 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 42 H 8.79 5.36 0.00 2.75 3.15 0.00 5.45 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.92 4.29 4.17 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 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.60 4.01 0.00 1.63 1.75 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.79 4.48 0.00 1.91 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 2.22 2.25 0.00 46 S 8.00 4.81 0.00 3.93 3.80 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 47 P 0.00 4.18 0.00 2.14 2.07 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 48 V 7.91 3.65 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 49 E 8.62 4.10 0.00 1.95 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 0.00 2.27 2.40 0.00 50 F 8.35 4.86 0.00 3.02 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 51 H 9.38 5.62 0.00 3.18 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.03 5.01 0.00 1.79 1.57 1.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.55 4.65 0.00 2.94 2.87 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 0.00 0.00 0.00 54 G 7.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.69 4.28 0.00 2.22 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 2.39 2.31 0.00 56 V 8.39 4.20 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 1.03 0.00 0.00 0.89 0.00 0.00 57 L 9.01 4.79 0.00 1.59 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.20 4.87 0.00 3.74 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 59 L 8.56 3.63 0.00 1.90 1.66 0.49 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.90 4.24 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.92 0.00 1.90 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.48 7.81 62 L 7.90 3.66 0.00 1.41 1.19 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.05 3.57 0.00 1.77 1.91 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.07 1.10 7.81 64 S 7.28 4.13 0.00 3.95 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 65 L 7.88 4.21 0.00 1.73 1.75 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.98 4.25 0.00 1.74 1.61 0.14 -0.73 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 67 S 7.78 4.54 0.00 4.10 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