NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9516 8.3544 109.7402 44.0464 0.0000 173.4147 2 I 4.0335 7.2950 117.3484 56.8382 41.1422 172.7105 3 C 4.0370 9.7286 128.0713 59.7150 33.1815 172.2187 4 P 4.2580 0.0000 0.0000 65.9091 31.1465 178.8886 5 R 4.1814 8.0988 116.4173 58.9711 29.9917 178.6815 6 F 4.5042 8.4504 120.0905 61.3630 39.4706 176.8791 7 A 3.7631 8.2038 120.4334 55.3505 18.0357 179.3051 8 H 4.2446 7.9233 114.3514 59.3464 28.7163 177.4890 9 V 3.7395 7.9223 119.3473 66.6938 31.1921 177.8488 10 I 3.6291 8.2326 119.1076 64.5119 37.0392 178.1154 11 E 3.9035 8.5734 120.3439 59.4482 29.4633 178.7156 12 N 4.3936 8.6474 116.9177 55.8446 38.4016 176.9314 13 L 3.3689 8.0694 121.5041 58.3428 42.1870 178.8416 14 L 4.2048 7.8397 116.9258 56.4278 41.8912 177.6247 15 L 4.6514 8.1857 114.8304 53.7504 43.6152 175.9709 16 G 4.1961 7.6186 107.9713 43.6037 0.0000 173.7263 17 T 4.2654 8.0484 108.9347 60.5519 71.0584 173.4194 18 P 4.3473 0.0000 0.0000 66.1449 31.3147 178.7289 19 S 4.1611 8.2193 113.2043 62.2682 62.8216 177.0674 20 S 4.2111 8.2765 117.3604 61.5016 62.5682 176.1061 21 Y 4.2413 8.4659 122.8510 60.6519 38.3995 177.8233 22 E 3.7309 8.3685 120.4545 59.5079 29.5770 178.7527 23 T 3.8434 7.6137 108.3378 65.0238 68.4375 176.0146 24 S 4.2695 8.0849 117.8550 61.3062 62.8837 176.4682 25 L 4.0985 7.9055 123.1814 57.9653 41.8228 179.0735 26 K 3.9481 7.8533 118.8023 59.6617 32.0551 178.4599 27 E 3.7603 7.4769 119.5542 59.0754 29.4148 177.3998 28 F 4.5242 7.9439 114.4473 56.7570 39.4241 175.5616 29 E 3.7922 8.0056 119.8960 56.6186 27.2444 173.7868 30 P 4.3596 0.0000 0.0000 62.5483 32.6634 177.1295 31 D 4.6869 8.3755 121.1305 52.9466 41.8217 177.1355 32 D 4.3633 8.4661 118.4994 57.6772 40.7179 178.9312 33 T 3.8730 7.9290 115.7964 67.1247 68.5389 176.3953 34 M 4.0867 8.7970 120.8799 58.0462 31.9750 178.7956 35 K 3.9309 8.1436 119.9063 59.5077 32.4351 178.3872 36 D 4.3303 8.4898 118.4850 57.3550 41.1070 178.0224 37 A 4.1485 8.3228 121.5189 55.1812 18.4796 179.9066 38 G 3.6742 8.2321 104.2822 48.2280 0.0000 175.9669 39 M 4.4058 8.3706 120.9221 58.0348 31.8442 178.9187 40 Q 4.0081 8.1910 118.6096 59.0031 28.8246 178.0938 41 M 3.9690 8.2560 119.3868 58.6333 32.1547 178.0822 42 K 3.6296 7.8787 119.1888 59.3691 32.0922 178.5839 43 K 3.9117 7.8030 118.5906 59.6610 32.4449 178.8912 44 V 3.8073 7.6196 112.4356 64.2327 31.5382 178.6153 45 L 4.0124 8.1325 118.9668 57.7175 41.2373 178.9748 46 D 4.4769 8.2108 118.1323 56.4273 40.7510 178.3309 47 S 4.2495 7.7934 114.3433 59.7676 63.5673 174.7330 48 L 4.2174 7.3006 122.4300 53.4489 42.3166 175.7220 49 P 4.3956 0.0000 0.0000 62.2974 33.2373 177.3036 50 Q 3.9173 8.6705 121.3657 60.0413 28.8315 179.2261 51 T 3.8622 7.9385 115.8227 67.0254 68.4776 176.4586 52 T 3.8348 7.7894 116.8174 66.8093 68.6169 176.8004 53 R 3.9096 7.9028 119.8620 59.1600 29.9771 178.8642 54 E 3.9568 8.5196 118.7944 59.7566 29.4373 179.3535 55 N 4.3452 8.4049 116.3867 56.1714 38.4378 177.6642 56 I 3.6773 7.8301 121.5298 64.3105 37.0745 177.9739 57 M 3.9457 8.0856 119.0226 58.7654 32.1002 178.3370 58 K 4.1420 8.1450 119.9788 58.7683 32.1723 179.0541 59 L 3.9308 8.1201 120.7624 58.4526 42.0508 179.1917 60 T 3.8509 8.0556 116.1424 66.5920 68.1335 176.5336 61 E 3.9860 8.5049 119.8881 59.2292 29.2907 179.1350 62 K 3.9674 7.9965 120.6996 59.0728 31.9695 179.0603 63 I 3.7511 7.5199 119.5803 64.5109 37.2581 178.6257 64 V 3.8499 7.7625 110.7753 62.9002 31.4548 176.9877 65 K 4.4666 7.4091 116.1889 55.5007 33.3722 176.3566 66 S 4.1986 7.6170 114.7145 57.9168 63.1288 173.3466 67 P 4.3044 0.0000 0.0000 65.7093 31.2646 178.7396 68 L 4.0886 7.9418 116.5801 57.0815 41.6479 177.3558 69 C 4.6500 7.7658 114.2710 59.4549 28.6231 173.7369 70 M 4.2444 7.6908 125.2690 55.7236 31.4118 176.1132 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 8.35 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 I 7.30 4.03 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.91 0.00 0.00 3 C 9.73 4.04 0.00 3.10 2.98 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 4 P 0.00 4.26 0.00 2.24 2.11 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 5 R 8.10 4.18 0.00 2.11 2.31 0.00 2.97 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 6 F 8.45 4.50 0.00 2.97 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 7 A 8.20 3.76 1.27 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 0.00 0.00 8 H 7.92 4.24 0.00 3.43 3.39 0.00 5.65 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 9 V 7.92 3.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 1.25 0.00 0.00 10 I 8.23 3.63 1.77 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.00 0.77 0.00 0.00 11 E 8.57 3.90 0.00 2.11 2.14 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 2.32 2.36 0.00 12 N 8.65 4.39 0.00 2.94 3.07 0.00 0.00 6.64 6.71 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 13 L 8.07 3.37 0.00 1.52 1.86 0.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.84 4.20 0.00 1.72 1.66 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.19 4.65 0.00 1.72 1.63 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.62 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 17 T 8.05 4.27 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 1.22 0.00 0.00 18 P 0.00 4.35 0.00 2.22 2.23 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 19 S 8.22 4.16 0.00 3.89 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 20 S 8.28 4.21 0.00 4.02 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 21 Y 8.47 4.24 0.00 3.00 3.24 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 22 E 8.37 3.73 0.00 2.14 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 0.00 2.26 2.28 0.00 23 T 7.61 3.84 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 1.29 0.00 0.00 24 S 8.08 4.27 0.00 4.23 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 25 L 7.91 4.10 0.00 1.64 1.62 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.85 3.95 0.00 1.98 2.03 0.00 1.21 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.69 7.81 27 E 7.48 3.76 0.00 1.69 1.19 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 1.79 2.05 0.00 28 F 7.94 4.52 0.00 3.23 3.02 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 29 E 8.01 3.79 0.00 2.07 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 2.25 2.22 0.00 30 P 0.00 4.36 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 31 D 8.38 4.69 0.00 2.97 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 32 D 8.47 4.36 0.00 2.75 2.76 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 0.00 0.00 0.00 33 T 7.93 3.87 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 1.22 0.00 0.00 34 M 8.80 4.09 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 35 K 8.14 3.93 0.00 1.98 1.92 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 36 D 8.49 4.33 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.15 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 38 G 8.23 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 39 M 8.37 4.41 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.00 0.00 40 Q 8.19 4.01 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 41 M 8.26 3.97 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 42 K 7.88 3.63 0.00 1.73 1.94 0.00 1.31 0.00 0.00 0.85 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 43 K 7.80 3.91 0.00 1.82 2.10 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 44 V 7.62 3.81 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 0.81 0.00 0.00 1.01 0.00 0.00 45 L 8.13 4.01 0.00 1.58 1.64 0.84 1.03 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 46 D 8.21 4.48 0.00 2.79 2.71 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 47 S 7.79 4.25 0.00 4.03 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 48 L 7.30 4.22 0.00 1.82 1.62 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.40 0.00 2.14 1.96 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 50 Q 8.67 3.92 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 51 T 7.94 3.86 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 1.20 0.00 0.00 52 T 7.79 3.83 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 1.20 0.00 0.00 53 R 7.90 3.91 0.00 1.95 2.14 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 54 E 8.52 3.96 0.00 2.14 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 2.32 2.60 0.00 55 N 8.40 4.35 0.00 2.85 2.85 0.00 0.00 7.09 7.41 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 56 I 7.83 3.68 1.94 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 1.39 0.83 0.88 0.00 0.00 57 M 8.09 3.95 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 58 K 8.15 4.14 0.00 1.94 1.84 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 59 L 8.12 3.93 0.00 1.79 1.83 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.06 3.85 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 1.12 0.00 0.00 61 E 8.50 3.99 0.00 2.16 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 0.00 2.52 2.36 0.00 62 K 8.00 3.97 0.00 1.95 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.47 7.81 63 I 7.52 3.75 2.03 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 1.52 0.79 0.92 0.00 0.00 64 V 7.76 3.85 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 0.73 0.00 0.00 0.96 0.00 0.00 65 K 7.41 4.47 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 66 S 7.62 4.20 0.00 4.09 3.84 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 0.00 0.00 0.00 67 P 0.00 4.30 0.00 2.21 2.10 0.00 3.65 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 2.11 2.12 0.00 68 L 7.94 4.09 0.00 1.64 1.74 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.77 4.65 0.00 2.96 2.94 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 0.00 0.00 0.00 70 M 7.69 4.24 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00