NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3680 8.1233 123.5840 51.7086 18.9711 177.3337 5 L 3.8518 8.4443 123.5219 58.1090 41.5784 177.7530 6 L 4.1762 8.7977 119.8025 58.1154 42.0387 179.4944 7 R 4.0195 7.9497 117.2424 59.2885 30.1405 178.8951 8 Q 3.9719 8.2154 117.6391 58.8236 28.6345 178.6071 9 A 3.6303 8.9915 122.5369 55.2835 18.4038 178.6839 10 Y 4.2296 8.1955 117.9518 61.1828 38.6229 178.6924 11 S 3.9246 8.4134 114.4265 61.6572 63.1103 176.4274 12 A 4.0511 8.1656 122.2073 54.1947 17.9198 177.9565 13 L 4.2635 8.0898 116.5579 56.4977 42.9709 178.7722 14 F 5.0752 7.2060 113.9409 59.1139 39.3958 177.1896 15 R 3.6236 7.4506 121.1404 58.9541 30.2049 177.0773 16 R 4.1947 7.6787 117.9566 55.7732 31.2799 177.3243 17 T 3.9173 8.8136 121.8291 66.8701 68.3761 176.5018 18 S 4.1759 8.0279 115.8549 61.7770 63.2283 176.5788 19 T 3.9865 7.9007 113.1942 63.8263 68.6145 176.2765 20 F 4.2066 8.7141 125.2148 60.7047 39.3942 176.9540 21 A 4.1353 8.1680 120.0768 55.0711 18.1037 179.2826 22 L 3.8880 7.9824 118.9044 58.7445 42.1724 179.4421 23 T 3.8065 8.1693 115.8932 66.2891 68.2814 177.0113 24 V 3.4411 7.5027 120.2941 65.9517 31.5390 178.0566 25 V 3.5312 7.9052 118.0853 66.1551 31.5358 177.7561 26 L 4.0391 8.3354 120.2391 57.9701 41.8286 179.3385 27 G 3.5894 8.1733 105.7757 47.4665 0.0000 175.7052 28 A 4.0181 8.5144 123.5274 54.9570 18.3249 179.5996 29 V 3.5841 8.0090 117.0830 66.5542 31.5179 178.3013 30 L 4.0702 7.9162 117.9000 57.4990 41.4364 179.2117 31 F 4.1482 8.4734 120.9726 61.0825 39.2511 176.6891 32 E 3.9455 8.8454 119.3952 59.3220 29.3733 178.3933 33 R 3.8592 7.7095 118.4221 59.6304 30.0813 178.1260 34 A 3.8932 7.8612 119.9706 55.1756 18.4545 179.1074 35 F 3.7605 8.3500 119.2013 61.4947 39.2033 177.2100 36 D 4.1156 8.3880 118.5137 57.4106 40.5994 178.4565 37 Q 4.0445 7.7311 118.6998 59.0967 28.7691 179.6710 38 G 3.4255 8.0103 106.0668 47.5782 0.0000 175.4665 39 A 3.7497 7.5476 123.5061 54.9024 18.3010 179.2771 40 D 4.3211 8.2712 117.3891 57.5357 40.9151 178.9568 41 A 4.0036 8.1703 121.2369 55.3664 18.3952 179.7880 42 I 3.6493 8.2221 118.5160 64.4461 36.9683 178.4163 43 F 4.0663 8.5208 120.5701 61.4455 39.4401 176.7372 44 E 4.1011 8.6544 118.4868 59.5808 29.0332 178.7559 45 H 4.1078 8.0314 117.4379 59.1937 30.0748 176.8340 46 L 4.1525 7.7324 118.0439 55.8185 42.2705 176.5808 47 N 4.9632 8.1171 117.5771 51.9241 39.5776 174.5709 48 E 3.9833 8.2609 117.2560 58.0520 30.0873 177.9683 49 G 3.9757 8.7326 110.5655 46.1362 0.0000 173.9191 50 K 4.3806 7.9314 118.9339 56.8396 33.6550 177.1745 51 L 4.4639 7.4773 118.0669 53.3793 42.8479 177.3910 52 W 4.2657 8.8688 130.3866 60.6288 30.3251 178.0401 53 K 3.8468 8.2227 118.4320 59.8532 31.5138 177.7522 54 H 4.5250 8.1923 116.0481 57.8672 29.2857 176.8830 55 I 3.8973 7.3636 112.7600 61.2057 38.1305 177.2473 56 K 2.4800 7.4366 123.1114 59.7359 31.4858 177.7277 57 H 4.1208 7.7314 114.3841 58.6200 27.9900 177.4463 58 K 3.7767 7.4881 120.1767 58.3987 31.7387 177.0164 59 Y 4.6476 6.9328 113.4909 57.3275 39.8315 176.1953 60 E 4.1558 7.9512 121.0916 55.9545 27.7023 175.3176 61 A 3.8794 8.5333 125.0168 52.6966 16.1314 178.0609 62 S 4.7876 7.8480 112.7901 59.0103 64.2721 173.6695 63 E 4.5625 8.2274 118.1782 55.7294 32.5208 174.0253 64 E 4.1116 8.8533 123.7679 56.8293 30.7036 174.1558 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 4 A 8.12 4.37 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 5 L 8.44 3.85 0.00 1.81 1.74 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.80 4.18 0.00 1.73 1.80 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.95 4.02 0.00 2.02 2.02 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 8 Q 8.22 3.97 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 9 A 8.99 3.63 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 10 Y 8.20 4.23 0.00 3.28 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 11 S 8.41 3.92 0.00 3.91 3.90 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 0.00 0.00 0.00 12 A 8.17 4.05 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 0.00 0.00 0.00 0.00 0.00 13 L 8.09 4.26 0.00 0.54 1.33 0.56 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.21 5.08 0.00 3.10 3.22 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 15 R 7.45 3.62 0.00 1.32 1.71 0.00 3.08 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 16 R 7.68 4.19 0.00 1.88 1.85 0.00 3.19 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 17 T 8.81 3.92 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 1.19 0.00 0.00 18 S 8.03 4.18 0.00 4.06 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 0.00 19 T 7.90 3.99 4.21 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 0.00 0.00 1.20 0.00 0.00 20 F 8.71 4.21 0.00 3.20 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 21 A 8.17 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.89 0.00 1.92 1.78 0.92 0.87 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 23 T 8.17 3.81 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 1.18 0.00 0.00 24 V 7.50 3.44 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 0.98 0.00 0.00 0.82 0.00 0.00 25 V 7.91 3.53 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 1.03 0.00 0.00 1.00 0.00 0.00 26 L 8.34 4.04 0.00 1.82 1.69 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.17 3.59 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 0.00 0.00 0.00 28 A 8.51 4.02 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 29 V 8.01 3.58 2.25 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 1.05 0.00 0.00 0.99 0.00 0.00 30 L 7.92 4.07 0.00 1.83 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.47 4.15 0.00 3.23 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 32 E 8.85 3.95 0.00 2.22 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 2.48 2.43 0.00 33 R 7.71 3.86 0.00 1.90 2.08 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 34 A 7.86 3.89 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 35 F 8.35 3.76 0.00 1.86 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 36 D 8.39 4.12 0.00 2.73 2.65 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 0.00 0.00 0.00 0.00 37 Q 7.73 4.04 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 38 G 8.01 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.27 4.32 0.00 2.70 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 41 A 8.17 4.00 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 42 I 8.22 3.65 2.03 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 1.06 0.94 0.00 0.00 43 F 8.52 4.07 0.00 3.01 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 44 E 8.65 4.10 0.00 2.11 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 2.48 2.75 0.00 45 H 8.03 4.11 0.00 3.20 3.47 0.00 5.75 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 46 L 7.73 4.15 0.00 1.61 1.55 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.12 4.96 0.00 2.46 2.57 0.00 0.00 6.89 8.46 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 48 E 8.26 3.98 0.00 1.87 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 2.39 2.18 0.00 49 G 8.73 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 0.00 0.00 0.00 50 K 7.93 4.38 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.56 7.81 51 L 7.48 4.46 0.00 1.44 1.59 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.87 4.27 0.00 3.42 3.13 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 0.00 53 K 8.22 3.85 0.00 1.83 1.79 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.58 7.81 54 H 8.19 4.52 0.00 3.25 3.28 0.00 5.71 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 55 I 7.36 3.90 1.90 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.53 0.93 0.00 0.00 56 K 7.44 2.48 0.00 0.79 1.37 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.19 7.81 57 H 7.73 4.12 0.00 3.34 3.49 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.49 3.78 0.00 0.79 1.01 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.26 7.81 59 Y 6.93 4.65 0.00 3.05 3.06 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 60 E 7.95 4.16 0.00 2.12 1.87 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 2.33 2.33 0.00 61 A 8.53 3.88 1.39 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 0.00 0.00 0.00 62 S 7.85 4.79 0.00 3.74 3.75 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 63 E 8.23 4.56 0.00 1.91 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 2.25 2.34 0.00 64 E 8.85 4.11 0.00 2.13 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 2.22 2.30 0.00