NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9595 8.1976 109.7308 45.3322 0.0000 174.4421 2 T 3.7278 8.1881 108.9257 63.3898 68.3499 174.8860 3 K 3.8686 8.7333 123.7378 59.6371 32.7941 179.8569 4 Q 3.9035 7.9358 117.8151 58.8033 28.5654 178.4298 5 E 3.1454 8.0410 119.6143 59.1258 29.3826 179.5950 6 K 3.9612 8.1355 118.6127 59.6204 32.0921 179.4808 7 T 3.8126 8.0924 116.0244 66.5851 68.3668 176.4602 8 A 3.9620 7.8813 122.4657 55.0292 18.3996 179.3267 9 L 4.0973 8.0341 118.9927 58.5972 42.1418 178.9786 10 N 4.4399 8.5489 116.6693 56.5562 38.4038 177.0999 11 M 4.1630 8.3634 119.4351 58.5639 32.3419 178.1346 12 A 4.0984 8.3797 121.0759 55.1640 18.6043 179.5655 13 R 3.4179 8.4107 117.2941 59.2390 30.1576 178.6036 14 W 4.6781 8.4177 129.5889 59.9703 30.6048 177.8624 15 I 3.4452 8.1902 120.2642 64.3509 36.6415 178.0620 16 R 3.8139 7.8698 119.5527 59.6353 29.7127 178.6587 17 S 4.0708 8.0312 113.7948 61.5136 62.9169 176.3415 18 Q 3.5392 7.8413 122.3219 58.6612 28.2219 178.9417 19 T 3.7833 8.0666 111.1877 64.6092 68.5808 176.4156 20 L 3.8427 7.7543 122.7433 58.0079 42.0934 179.0920 21 T 3.7583 7.7825 115.7089 66.5289 68.4376 176.1347 22 L 3.8720 7.9916 122.5157 58.2602 41.9349 178.5815 23 L 3.8942 7.9709 120.0359 58.2580 41.8322 178.6628 24 E 3.8628 7.9013 118.8038 59.2492 29.1921 178.6644 25 K 3.8588 8.0306 118.4801 59.6584 32.1087 179.2453 26 L 3.9960 8.3229 119.3221 57.9578 41.5723 179.2906 27 N 4.3229 8.3826 116.5422 56.4480 38.2203 177.3147 28 E 4.0590 8.3877 119.2816 58.6025 29.5907 178.2861 29 L 4.3970 7.3165 115.9930 53.5545 42.1655 176.0028 30 D 4.3688 7.7303 117.4249 55.3572 39.3501 175.4347 31 A 4.4001 7.7838 121.6762 51.0272 16.1071 177.7154 32 D 4.2946 7.9355 124.3651 56.7120 41.5323 177.7766 33 E 3.9218 8.0719 119.3345 59.4209 29.6880 178.7476 34 Q 3.9846 8.0365 117.4126 58.8298 28.7733 178.2947 35 A 3.9872 8.4431 122.2661 55.2619 18.5000 179.3888 36 D 4.2994 8.2650 117.3558 57.5541 40.8126 179.1285 37 I 3.6953 7.5797 119.7586 64.6237 37.1683 178.1088 38 C 4.0784 8.4361 119.8745 62.2460 31.3155 175.2842 39 E 3.9066 8.5381 121.4837 59.2886 29.2899 178.6313 40 S 4.1020 7.9682 112.9818 61.3486 62.3460 175.8861 41 L 3.9758 8.1818 123.2882 58.2990 41.7472 178.4010 42 H 4.3171 8.6364 119.8689 58.9903 29.7870 177.0611 43 D 4.3144 8.2750 120.6445 57.5293 40.6156 178.2697 44 H 4.1766 8.4942 118.7337 59.1287 29.7581 177.2279 45 A 4.0130 8.3482 123.1815 55.0983 18.0891 179.1512 46 D 4.2816 8.1905 116.8253 57.2639 41.3183 177.8902 47 E 3.9162 8.3857 120.0538 59.2975 29.5511 178.6306 48 L 3.9629 8.0312 120.1376 58.2691 42.1001 178.1360 49 Y 4.2048 8.3301 119.7150 60.9562 38.6629 178.3418 50 R 3.6536 8.2995 119.1252 59.1583 30.1527 178.9868 51 S 3.9458 8.0544 112.7448 61.6761 62.4136 176.0255 52 C 3.7853 8.2498 119.7243 62.4660 27.8434 175.9777 53 L 3.7256 7.7623 121.9539 58.0683 41.4621 178.7156 54 A 3.8975 7.7094 119.5580 55.1203 18.2656 179.2964 55 R 3.7904 7.3104 116.0118 58.7264 30.3458 177.7925 56 F 5.1068 8.3085 114.3272 57.2313 40.0937 176.0342 57 G 3.7796 8.0132 112.7801 45.5199 0.0000 173.5319 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 8.20 3.96 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 0.00 0.00 0.00 2 T 8.19 3.73 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 1.22 0.00 0.00 3 K 8.73 3.87 0.00 1.86 1.81 0.00 1.58 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.56 7.81 4 Q 7.94 3.90 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 E 8.04 3.15 0.00 2.04 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 0.00 1.76 2.24 0.00 6 K 8.14 3.96 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 7 T 8.09 3.81 4.33 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 1.19 0.00 0.00 8 A 7.88 3.96 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 9 L 8.03 4.10 0.00 2.03 1.92 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.55 4.44 0.00 2.85 2.88 0.00 0.00 6.70 8.18 0.00 0.00 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 M 8.36 4.16 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 12 A 8.38 4.10 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 3.42 0.00 1.97 2.14 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.00 14 W 8.42 4.68 0.00 3.42 3.19 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 15 I 8.19 3.45 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.86 0.00 0.00 16 R 7.87 3.81 0.00 1.82 1.93 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 17 S 8.03 4.07 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.84 3.54 0.00 1.68 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 19 T 8.07 3.78 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 1.17 0.00 0.00 20 L 7.75 3.84 0.00 1.71 1.79 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.78 3.76 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 1.17 0.00 0.00 22 L 7.99 3.87 0.00 1.71 1.62 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.97 3.89 0.00 1.84 1.85 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.90 3.86 0.00 2.04 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 2.29 2.44 0.00 25 K 8.03 3.86 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 26 L 8.32 4.00 0.00 1.78 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.38 4.32 0.00 2.91 2.86 0.00 0.00 7.08 8.06 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 28 E 8.39 4.06 0.00 2.06 2.01 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 2.34 2.53 0.00 29 L 7.32 4.40 0.00 1.86 1.69 0.92 1.08 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 30 D 7.73 4.37 0.00 2.82 2.73 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 31 A 7.78 4.40 1.31 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 0.00 0.00 0.00 32 D 7.94 4.29 0.00 2.69 2.72 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 0.00 0.00 0.00 33 E 8.07 3.92 0.00 2.03 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 2.37 2.40 0.00 34 Q 8.04 3.98 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 35 A 8.44 3.99 1.37 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 36 D 8.27 4.30 0.00 2.87 2.73 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 37 I 7.58 3.70 2.00 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 0.85 0.91 0.00 0.00 38 C 8.44 4.08 0.00 3.06 3.03 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 0.00 0.00 0.00 39 E 8.54 3.91 0.00 2.05 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 2.32 2.32 0.00 40 S 7.97 4.10 0.00 3.97 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 41 L 8.18 3.98 0.00 1.89 1.85 0.90 1.19 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 42 H 8.64 4.32 0.00 3.16 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.27 4.31 0.00 2.88 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 44 H 8.49 4.18 0.00 3.40 3.38 0.00 5.59 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 45 A 8.35 4.01 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 46 D 8.19 4.28 0.00 2.69 2.80 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 E 8.39 3.92 0.00 2.08 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 2.33 2.33 0.00 48 L 8.03 3.96 0.00 1.85 1.87 0.97 0.66 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 49 Y 8.33 4.20 0.00 3.10 3.15 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 0.00 0.00 0.00 0.00 50 R 8.30 3.65 0.00 2.07 1.92 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 51 S 8.05 3.95 0.00 3.92 3.94 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 52 C 8.25 3.79 0.00 3.15 3.23 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 53 L 7.76 3.73 0.00 1.12 1.48 0.86 1.09 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 54 A 7.71 3.90 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 55 R 7.31 3.79 0.00 1.44 0.66 0.00 2.90 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 56 F 8.31 5.11 0.00 3.08 2.95 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 57 G 8.01 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 0.00 0.00 0.00