NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4814 0.0000 0.0000 62.4136 33.6299 175.1645 2 I 4.6996 8.2356 122.8593 59.3125 40.3743 172.7912 3 A 4.7268 9.0769 130.0730 50.0204 21.9583 174.6713 4 Q 4.8295 8.7063 123.1635 54.5002 31.2477 174.3970 5 I 4.4429 8.6563 128.3687 60.0198 39.6076 174.5887 6 H 5.2593 8.8187 124.1393 54.2136 30.0573 174.0762 7 I 4.5930 8.4856 117.0421 58.5324 41.1035 174.9794 8 L 4.6278 8.3006 123.5027 54.2591 41.9447 176.8925 9 E 3.9921 9.1637 121.6729 57.2383 30.1155 176.5307 10 G 3.3705 8.7782 112.7058 45.7118 0.0000 174.4101 11 R 4.3277 7.5466 119.6380 55.5793 31.2402 176.5316 12 S 4.5792 8.4832 115.3842 57.6290 65.7180 175.1521 13 D 4.3642 8.4314 121.5788 57.5630 40.5322 178.9269 14 E 4.0145 8.0912 118.6976 59.4075 29.5211 179.2105 15 Q 4.0140 7.9619 117.7291 58.8996 28.7907 178.8385 16 K 4.0989 8.0635 119.1380 58.8579 32.0527 179.0487 17 E 3.9974 8.1485 120.0254 59.2477 29.5223 179.0063 18 T 3.8613 7.9663 116.0243 66.3641 68.5585 176.3560 19 L 3.9252 7.8623 122.2749 58.4873 41.7262 179.1960 20 I 3.7117 7.7959 119.5310 64.1146 36.9581 178.5644 21 R 3.9037 7.7295 119.3632 59.3650 30.0299 178.1220 22 E 3.8956 8.5619 118.6892 59.6993 29.5768 179.6101 23 V 3.6077 7.9293 117.9655 66.2060 31.6461 178.2685 24 S 4.1558 7.8269 114.5592 61.4825 62.5913 176.5441 25 E 3.9734 8.2531 121.1345 59.2139 29.3051 178.9021 26 A 4.0330 8.1036 120.8505 55.3789 18.3515 179.8787 27 I 3.6596 7.7454 118.0507 64.3751 37.2232 178.3904 28 S 4.1587 7.9000 113.9043 61.6321 62.4008 176.5772 29 R 4.0171 8.4394 118.9939 59.2630 29.0724 178.8748 30 S 4.2579 8.0041 115.2372 60.4035 62.9040 175.4724 31 L 4.5466 7.6619 118.3478 53.1226 42.3303 175.6156 32 D 4.3360 7.4430 116.0641 55.0799 40.2467 172.8750 33 A 4.7063 7.6495 118.8611 48.9279 21.0328 176.1580 34 P 4.3037 0.0000 0.0000 62.5476 32.1041 176.9747 35 L 3.9240 8.8895 125.0366 58.3993 41.9854 178.9417 36 T 3.9877 7.9241 107.0878 63.8021 68.6479 174.7738 37 S 4.4150 8.0313 116.1634 59.2359 63.8768 174.6826 38 V 3.9999 7.5435 122.2045 62.9322 32.1332 175.5275 39 R 4.6474 8.7621 125.7438 54.4358 33.3837 174.4120 40 V 4.9232 8.5333 123.4859 61.0985 34.4387 174.6883 41 I 4.6017 8.6759 126.7942 59.6832 40.6818 174.1824 42 I 4.7345 8.4370 127.7236 59.9959 39.1110 175.2724 43 T 4.5124 8.7335 123.0387 61.7785 71.4295 173.0497 44 E 4.8340 8.8365 126.2430 55.8803 31.0727 175.7608 45 M 4.8395 8.9852 122.7291 53.2078 35.1582 175.3874 46 A 4.7285 8.4380 124.4010 51.0901 19.4447 178.6328 47 K 3.7158 9.4644 121.2107 59.1705 32.3799 178.7851 48 G 4.1885 8.0074 105.3010 45.6338 0.0000 173.4603 49 H 4.9574 8.9220 115.0376 54.9316 29.7613 173.3623 50 F 5.0678 8.1910 122.6307 56.2906 41.3595 173.6738 51 G 4.1566 8.3581 116.6711 43.5867 0.0000 172.5276 52 I 4.0179 8.1940 123.6260 60.0312 39.4091 176.0959 53 G 3.8658 9.3981 113.0027 46.0823 0.0000 173.3675 54 G 3.9867 8.3337 108.6516 44.9653 0.0000 174.2556 55 E 4.4713 7.6507 118.4911 54.7325 30.9614 175.8448 56 L 4.4848 8.1176 120.7459 54.3523 42.4806 177.4498 57 A 4.1422 8.8567 125.8044 55.1921 18.6644 178.1427 58 S 4.3274 7.7725 114.0857 58.7256 62.9337 174.0067 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.24 4.70 1.87 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 1.27 0.71 0.91 0.00 0.00 3 A 9.08 4.73 1.22 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 0.00 0.00 0.00 4 Q 8.71 4.83 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 5 I 8.66 4.44 1.83 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 1.21 0.62 0.88 0.00 0.00 6 H 8.82 5.26 0.00 2.91 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.49 4.59 1.81 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 1.17 0.88 0.86 0.00 0.00 8 L 8.30 4.63 0.00 1.51 1.62 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.16 3.99 0.00 2.00 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 0.00 2.29 2.27 0.00 10 G 8.78 3.37 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 0.00 0.00 0.00 0.00 11 R 7.55 4.33 0.00 1.80 1.97 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.48 4.58 0.00 4.21 3.99 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 0.00 0.00 0.00 13 D 8.43 4.36 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.01 0.00 2.05 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 2.39 2.45 0.00 15 Q 7.96 4.01 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.06 4.10 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.15 4.00 0.00 2.20 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 0.00 2.30 2.34 0.00 18 T 7.97 3.86 4.46 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 1.21 0.00 0.00 19 L 7.86 3.93 0.00 1.85 1.84 0.91 1.10 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 20 I 7.80 3.71 1.99 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 1.39 0.80 0.90 0.00 0.00 21 R 7.73 3.90 0.00 1.84 2.08 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.56 3.90 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 2.49 2.47 0.00 23 V 7.93 3.61 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 1.03 0.00 0.00 0.96 0.00 0.00 24 S 7.83 4.16 0.00 4.18 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 25 E 8.25 3.97 0.00 2.18 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 2.32 2.32 0.00 26 A 8.10 4.03 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 27 I 7.75 3.66 1.87 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 0.70 0.91 0.00 0.00 28 S 7.90 4.16 0.00 4.04 4.01 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 29 R 8.44 4.02 0.00 2.04 2.29 0.00 2.83 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.00 4.26 0.00 4.08 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 31 L 7.66 4.55 0.00 1.61 1.67 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.44 4.34 0.00 2.88 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 33 A 7.65 4.71 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.23 2.21 0.00 3.72 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 2.07 1.95 0.00 35 L 8.89 3.92 0.00 1.74 1.73 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.92 3.99 4.24 0.00 0.00 0.00 0.00 0.00 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 37 S 8.03 4.42 0.00 3.97 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 38 V 7.54 4.00 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.76 4.65 0.00 1.75 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.92 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 0.85 0.00 0.00 0.92 0.00 0.00 41 I 8.68 4.60 1.84 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 1.21 0.65 0.87 0.00 0.00 42 I 8.44 4.73 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.73 4.51 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 1.16 0.00 0.00 44 E 8.84 4.83 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 45 M 8.99 4.84 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 46 A 8.44 4.73 1.08 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 0.00 0.00 47 K 9.46 3.72 0.00 1.80 1.94 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.56 7.81 48 G 8.01 4.19 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 0.00 0.00 0.00 49 H 8.92 4.96 0.00 3.35 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.07 0.00 2.97 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 4.16 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 0.00 0.00 0.00 52 I 8.19 4.02 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.29 0.83 0.00 0.00 53 G 9.40 3.87 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 0.00 0.00 0.00 54 G 8.33 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.65 4.47 0.00 1.95 1.83 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 2.24 2.38 0.00 56 L 8.12 4.48 0.00 1.61 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.86 4.14 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 0.00 0.00 0.00 0.00 0.00 58 S 7.77 4.33 0.00 3.97 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