NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2818 8.4444 121.4696 54.6974 31.9869 175.8479 10 E 4.1312 8.8044 120.3349 54.0946 31.5040 172.3401 11 E 5.8066 8.9570 132.2810 58.0326 32.4030 175.0080 12 E 5.7527 7.5750 135.0000 56.6785 30.6989 176.7540 13 L 4.6455 7.3002 120.3484 52.9075 43.6738 177.8268 14 V 3.8437 8.1440 125.4962 61.5053 29.6485 173.6658 15 D 4.3544 8.0540 121.0918 53.7713 41.8821 174.6937 16 P 4.2536 0.0000 0.0000 65.1301 31.2917 178.2324 17 L 3.8253 7.8602 118.8633 58.5865 41.9997 178.7088 18 T 3.9488 7.9531 114.8487 67.3545 68.5541 176.0661 19 T 4.1204 7.6287 118.0447 66.3226 68.4736 176.8618 20 V 3.7011 8.3551 120.2841 65.9912 30.9381 178.3633 21 R 3.8968 8.8223 119.0619 59.4709 29.6284 178.1694 22 E 3.9205 8.2615 117.9780 59.9908 29.3323 179.0956 23 Q 3.9692 7.8963 117.5642 59.8721 28.9148 177.8532 24 C 4.2487 8.1876 118.5849 59.0261 43.7880 174.4499 25 E 3.9596 9.4424 121.5432 60.2167 29.4444 178.2740 26 Q 3.2936 9.0185 111.1107 58.5648 29.4122 178.3363 27 L 3.4363 8.0151 114.6145 53.8349 42.6666 178.5475 28 E 3.2871 8.0344 120.7676 57.0698 31.8638 178.6191 29 K 3.8483 7.8955 116.4978 60.0896 32.5162 179.0102 30 C 4.1557 8.3934 116.7221 62.0483 27.9721 176.2812 31 V 3.6365 7.6723 119.7427 66.0435 31.2847 178.0214 32 K 3.9684 8.2922 118.0031 59.3338 31.9134 179.2303 33 A 4.0316 7.9998 120.8061 55.3620 18.3405 179.7073 34 R 3.8370 8.8338 117.6191 59.2489 30.0578 178.1445 35 E 3.9162 8.3352 119.4219 59.6035 29.6589 179.1288 36 R 4.0074 7.9372 117.6645 59.1996 29.8819 178.4450 37 L 3.8955 7.9641 120.1112 58.2955 42.0137 178.6267 38 E 3.9551 8.5986 118.4708 59.7061 29.3929 179.3131 39 L 3.9447 8.4132 118.9037 58.2597 41.7706 179.1901 40 C 4.0837 8.7985 118.5557 62.3609 31.6382 175.1416 41 D 4.3090 8.9638 120.8505 57.6320 40.6438 178.3644 42 E 4.0536 8.3421 117.5607 58.9782 29.6409 179.5219 43 R 4.0390 7.6095 118.7036 59.2874 30.0243 178.8151 44 V 3.6027 7.5649 116.5128 66.4310 31.6276 177.9527 45 S 4.3418 7.9990 114.2295 61.4273 62.3763 176.8526 46 S 4.7088 7.4795 113.9683 60.2034 62.8671 174.3830 47 R 4.4723 8.1426 121.2612 55.7634 33.3926 172.6740 48 S 4.4602 8.1379 109.1348 60.4532 64.3095 175.9992 49 Q 4.3250 8.3306 120.6529 56.3685 28.9142 176.0333 50 T 4.4475 8.0408 111.4029 60.9184 68.6144 173.9932 51 E 4.6056 8.2083 118.3479 56.0293 33.3010 176.0943 52 E 4.1324 7.5398 119.8774 56.5215 27.7738 175.3920 53 D 4.5470 8.4619 122.8821 53.8376 40.7442 177.3150 54 C 4.8016 8.1789 117.2623 60.1202 30.1937 174.7966 55 T 3.7526 7.5997 115.3405 66.8024 68.0249 176.1039 56 E 3.9573 8.1251 120.6893 59.5500 29.9049 178.2747 57 E 3.9872 8.3224 118.0093 59.5076 29.3615 179.1543 58 L 3.9546 7.4976 119.6392 58.1934 42.1544 178.9040 59 L 4.0386 7.5625 117.5931 57.9963 41.6205 179.0956 60 D 4.4561 8.0177 118.4674 57.4902 40.7339 178.6140 61 F 4.0515 8.1234 120.3228 61.4224 38.8657 176.8885 62 L 4.0028 8.5115 118.6368 58.2684 41.4320 178.7221 63 H 4.0254 9.0879 118.5006 59.5438 29.8554 176.7155 64 A 3.9527 8.0679 122.0633 55.2674 18.2119 179.4923 65 R 3.6595 7.9214 117.2066 59.7262 30.1309 178.3422 66 D 4.3579 9.2097 119.1755 57.5662 40.7903 178.4836 67 H 3.9938 8.4317 118.9412 59.5713 30.0046 176.5900 68 C 4.3332 7.8058 119.1390 59.3693 44.5130 175.7633 69 V 3.4724 7.7884 119.8553 65.8261 30.9804 177.5042 70 A 4.0260 7.9824 119.5581 55.7151 18.2698 178.6186 71 H 4.0978 7.8932 114.9200 59.1686 30.0497 176.8266 72 K 4.3701 7.6831 116.6275 55.2056 32.7612 178.2552 73 L 3.9686 8.9864 122.3669 56.6561 39.8921 179.5293 74 F 3.8305 8.7258 122.2096 60.0986 40.3716 177.4095 75 N 4.2570 8.4211 118.9200 56.7793 38.5782 176.6168 76 S 4.2498 8.1875 111.7899 61.4136 63.2200 175.0563 77 L 3.8714 6.7229 117.0843 55.1519 41.9977 177.3909 78 K 4.1794 8.5395 121.8105 56.5551 32.3088 175.6219 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 9 E 8.44 4.28 0.00 1.94 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 2.19 2.30 0.00 10 E 8.80 4.13 0.00 2.02 1.92 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 2.19 2.36 0.00 11 E 8.96 5.81 0.00 2.08 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 2.06 2.05 0.00 12 E 7.58 5.75 0.00 2.10 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 0.00 2.09 1.99 0.00 13 L 7.30 4.65 0.00 1.58 1.56 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.14 3.84 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 0.79 0.00 0.00 0.93 0.00 0.00 15 D 8.05 4.35 0.00 2.79 2.61 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 16 P 0.00 4.25 0.00 2.08 2.05 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 17 L 7.86 3.83 0.00 1.68 1.63 0.85 0.82 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 18 T 7.95 3.95 4.39 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.12 4.38 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 1.20 0.00 0.00 20 V 8.36 3.70 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 1.09 0.00 0.00 0.96 0.00 0.00 21 R 8.82 3.90 0.00 2.12 1.98 0.00 3.20 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 1.66 1.72 0.00 22 E 8.26 3.92 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 2.35 2.60 0.00 23 Q 7.90 3.97 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 24 C 8.19 4.25 0.00 3.19 3.17 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 0.00 25 E 9.44 3.96 0.00 2.11 2.30 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 2.52 2.89 0.00 26 Q 9.02 3.29 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.09 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 27 L 8.02 3.44 0.00 1.96 1.61 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.03 3.29 0.00 2.06 1.88 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 2.36 2.45 0.00 29 K 7.90 3.85 0.00 1.79 1.84 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 C 8.39 4.16 0.00 3.11 2.42 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 31 V 7.67 3.64 2.27 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 1.18 0.00 0.00 1.03 0.00 0.00 32 K 8.29 3.97 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.60 7.81 33 A 8.00 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.83 3.84 0.00 2.16 2.18 0.00 2.72 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.42 0.00 35 E 8.34 3.92 0.00 2.27 2.10 0.00 0.00 0.00 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 2.37 0.00 36 R 7.94 4.01 0.00 2.14 1.98 0.00 3.21 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 37 L 7.96 3.90 0.00 1.88 1.63 0.83 0.55 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 38 E 8.60 3.96 0.00 2.17 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 2.29 2.47 0.00 39 L 8.41 3.94 0.00 1.74 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.80 4.08 0.00 2.93 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 41 D 8.96 4.31 0.00 2.74 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 42 E 8.34 4.05 0.00 2.17 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 2.34 2.34 0.00 43 R 7.61 4.04 0.00 1.89 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 44 V 7.56 3.60 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 0.82 0.00 0.00 1.08 0.00 0.00 45 S 8.00 4.34 0.00 3.93 3.88 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 46 S 7.48 4.71 0.00 3.98 3.88 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 47 R 8.14 4.47 0.00 1.74 1.82 0.00 3.10 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 48 S 8.14 4.46 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.33 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 50 T 8.04 4.45 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 51 E 8.21 4.61 0.00 1.94 1.89 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 2.21 2.29 0.00 52 E 7.54 4.13 0.00 1.86 1.90 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 2.32 2.28 0.00 53 D 8.46 4.55 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 54 C 8.18 4.80 0.00 3.11 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 55 T 7.60 3.75 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 56 E 8.13 3.96 0.00 2.04 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 2.42 0.00 57 E 8.32 3.99 0.00 2.10 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 0.00 2.42 2.47 0.00 58 L 7.50 3.95 0.00 1.64 1.81 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.56 4.04 0.00 1.81 1.75 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.02 4.46 0.00 3.01 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 61 F 8.12 4.05 0.00 3.19 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.51 4.00 0.00 2.00 1.79 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.09 4.03 0.00 3.23 3.49 0.00 5.60 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 64 A 8.07 3.95 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 65 R 7.92 3.66 0.00 1.19 1.85 0.00 3.12 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 66 D 9.21 4.36 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 3.99 0.00 3.14 3.25 0.00 5.79 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 68 C 7.81 4.33 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.47 2.22 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 0.91 0.00 0.00 0.99 0.00 0.00 70 A 7.98 4.03 1.33 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 0.00 0.00 0.00 71 H 7.89 4.10 0.00 3.30 3.34 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.68 4.37 0.00 1.78 1.84 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 73 L 8.99 3.97 0.00 1.91 1.14 0.82 0.44 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 74 F 8.73 3.83 0.00 3.22 2.99 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 75 N 8.42 4.26 0.00 2.77 2.94 0.00 0.00 7.02 8.11 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 76 S 8.19 4.25 0.00 3.84 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 77 L 6.72 3.87 0.00 1.89 1.72 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.54 4.18 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.40 7.81