NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3197 8.2644 123.5781 52.1959 19.4267 175.5448 1 M 4.5473 8.3928 114.3480 52.8821 35.5792 173.5266 2 D 4.7948 9.2524 125.1397 51.8325 45.8360 175.8332 3 S 4.1535 8.7081 122.9151 61.8883 62.9229 176.5135 4 N 4.3630 8.2133 118.6979 56.4498 38.3251 177.4557 5 T 3.9061 8.1588 117.2564 66.9493 68.5620 176.6727 6 M 4.1812 8.0207 120.4164 58.4966 32.0210 179.0467 7 S 4.5523 8.3201 116.9364 61.2818 62.9979 176.9169 8 S 4.2009 8.5545 118.3104 61.5352 62.5421 176.6059 9 F 4.2647 8.4071 123.4076 61.2759 39.0188 177.2507 10 Q 3.9762 8.3366 117.9662 58.8831 28.4981 179.1109 11 V 3.7352 7.8451 120.0775 65.1421 31.3010 178.0746 12 D 4.3844 8.0977 119.7741 57.0616 40.6157 178.6176 13 C 4.0020 7.9413 117.1909 62.8403 28.1191 176.0296 14 F 4.3933 8.3122 122.2095 61.2948 38.9601 177.2627 15 L 3.8215 8.4572 119.1784 57.1471 41.2866 179.2166 16 W 3.9455 8.4373 128.7519 60.5799 30.6430 177.3474 17 H 4.0791 8.4046 118.2338 59.3683 29.1645 177.1837 18 I 3.4281 7.2093 121.3186 64.4567 36.8449 178.5666 19 R 4.0227 7.6408 118.7892 59.1479 29.7359 179.0894 20 K 3.5441 7.5670 119.4412 59.3902 32.1006 179.2054 21 R 3.8273 7.7024 118.3859 58.9633 29.8267 178.7388 22 F 4.0010 8.5207 120.6422 61.1713 39.3650 176.9785 23 A 3.9240 8.4615 120.7094 55.3295 18.0070 179.0367 24 D 4.2507 8.0046 115.3468 57.4745 41.3469 177.5739 25 N 4.5382 7.7505 114.2513 53.4278 38.5592 175.7527 26 G 3.7268 7.6891 108.6672 46.0703 0.0000 174.3772 27 L 4.0194 6.8627 117.8237 53.9899 42.0632 177.0495 28 G 3.8148 7.2909 108.2025 44.4122 0.0000 173.9708 29 D 4.7490 8.3116 122.1935 51.5800 42.7719 177.4307 30 A 4.0416 8.4059 120.4003 55.0529 18.2828 177.9409 31 P 4.2550 0.0000 0.0000 65.5885 31.4202 178.5777 32 F 4.0344 8.6262 119.6043 61.3521 39.3150 177.2694 33 L 4.1029 8.2944 118.6645 57.5744 41.3102 179.0010 34 D 4.3093 8.2743 118.1886 57.5391 41.1581 178.6078 35 R 3.8858 7.9843 118.5596 58.8469 29.9614 178.8306 36 L 3.8319 7.7564 120.3296 58.0941 42.2318 179.0607 37 R 4.0100 8.0133 118.6360 59.3862 30.0537 178.1944 38 R 3.9087 8.1619 118.6153 59.9016 29.9977 178.2842 39 D 4.4229 8.4748 118.5819 57.0181 40.7653 178.5011 40 Q 3.1729 8.3958 120.3271 58.9427 29.0843 178.6404 41 K 3.9005 7.8539 118.9592 59.4274 32.0554 179.2607 42 S 4.0854 7.9800 113.3807 61.5301 62.2542 176.3142 43 L 4.1431 8.1917 122.0061 57.4132 41.3388 179.3145 44 K 3.9805 8.0211 119.9324 59.4950 32.1609 179.1276 45 G 3.5679 8.1071 105.8911 47.7952 0.0000 175.9110 46 R 3.9225 8.2535 120.8854 58.9422 30.0394 179.3974 47 G 3.2190 8.3351 105.8275 47.4978 0.0000 175.3077 48 N 4.2343 7.9077 118.7288 56.8944 38.8164 177.1919 49 T 3.8757 7.5611 115.7984 66.5341 68.6150 176.2325 50 L 4.1370 7.7923 119.3463 54.7314 41.8623 177.2724 51 G 3.8153 7.5562 105.1093 46.5818 0.0000 173.2185 52 L 4.7094 7.7059 119.1706 51.9398 44.3631 176.9088 53 D 4.5160 8.6058 122.7367 54.0081 42.6279 176.9326 54 I 3.7445 8.4509 127.9166 64.5442 37.1818 178.0321 55 E 3.9836 8.2773 118.8995 60.1400 29.4480 179.6929 56 T 3.9097 8.5646 115.3857 66.4843 68.4112 176.7867 57 A 4.0566 8.2101 122.7827 55.3633 18.3175 179.7850 58 T 3.8857 8.2555 114.6159 66.8974 68.4414 176.8129 59 L 3.9179 7.6635 120.9641 57.7405 41.5819 179.8621 60 V 3.6467 7.8202 118.1057 65.8435 31.4486 178.2688 61 G 3.6742 8.3540 105.8722 47.6275 0.0000 175.4455 62 K 2.0000 7.7409 121.8075 58.8936 32.0597 178.9853 63 Q 4.1786 7.5129 118.3328 58.8368 28.5827 178.8385 64 I 3.7317 7.8649 121.0079 64.2849 37.2004 178.5898 65 V 3.6853 8.1260 119.4719 66.1336 31.3349 177.6996 66 E 4.0029 8.5422 118.7217 59.3295 29.3187 179.2366 67 W 4.1234 8.3250 128.1760 60.5227 30.8381 178.0988 68 I 3.7512 8.0792 119.7081 64.5268 36.3778 178.5055 69 L 4.1173 8.2430 118.9110 57.5759 41.4653 179.2052 70 K 3.9977 8.0681 119.2660 59.1911 32.1639 178.1512 71 E 3.8036 7.7441 119.2486 58.4182 29.5520 176.3260 72 E 4.1808 7.5731 119.2454 56.2606 29.9640 175.6101 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 0 A 8.26 4.32 1.23 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 0.00 0.00 1 M 8.39 4.55 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 2 D 9.25 4.79 0.00 2.75 2.43 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 3 S 8.71 4.15 0.00 3.90 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 4 N 8.21 4.36 0.00 2.98 2.88 0.00 0.00 7.14 7.05 0.00 0.00 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 T 8.16 3.91 4.43 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 1.20 0.00 0.00 6 M 8.02 4.18 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 7 S 8.32 4.55 0.00 4.00 3.93 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 8 S 8.55 4.20 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 9 F 8.41 4.26 0.00 3.18 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 10 Q 8.34 3.98 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 11 V 7.85 3.74 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 1.11 0.00 0.00 1.02 0.00 0.00 12 D 8.10 4.38 0.00 2.92 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 13 C 7.94 4.00 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.31 4.39 0.00 3.36 3.12 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 15 L 8.46 3.82 0.00 1.71 1.65 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.44 3.95 0.00 3.43 3.32 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 17 H 8.40 4.08 0.00 3.50 3.45 0.00 5.84 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 18 I 7.21 3.43 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 -0.24 0.79 0.00 0.00 19 R 7.64 4.02 0.00 1.65 1.72 0.00 3.00 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 20 K 7.57 3.54 0.00 0.79 1.35 0.00 1.33 0.00 0.00 1.49 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.35 7.81 21 R 7.70 3.83 0.00 1.95 1.90 0.00 3.29 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 22 F 8.52 4.00 0.00 3.05 3.16 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 23 A 8.46 3.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.00 4.25 0.00 2.71 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.54 0.00 2.68 2.68 0.00 0.00 7.11 7.67 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 26 G 7.69 3.73 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 0.00 0.00 0.00 27 L 6.86 4.02 0.00 0.27 0.77 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.29 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.75 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.41 4.04 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 31 P 0.00 4.25 0.00 2.24 2.15 0.00 4.03 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.63 4.03 0.00 3.34 3.34 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 33 L 8.29 4.10 0.00 1.95 1.76 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.27 4.31 0.00 2.92 2.88 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 35 R 7.98 3.89 0.00 1.82 1.83 0.00 3.12 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 36 L 7.76 3.83 0.00 1.57 1.80 -0.07 0.58 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 37 R 8.01 4.01 0.00 2.05 2.11 0.00 3.38 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 1.67 1.72 0.00 38 R 8.16 3.91 0.00 1.99 2.15 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 1.64 1.69 0.00 39 D 8.47 4.42 0.00 3.02 2.83 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 0.00 0.00 0.00 40 Q 8.40 3.17 0.00 2.48 2.36 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 2.18 1.88 0.00 41 K 7.85 3.90 0.00 2.04 1.82 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 42 S 7.98 4.09 0.00 3.99 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 43 L 8.19 4.14 0.00 1.49 1.61 0.65 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.02 3.98 0.00 1.84 1.97 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 45 G 8.11 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.25 3.92 0.00 2.13 1.85 0.00 3.19 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 47 G 8.34 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 0.00 0.00 0.00 48 N 7.91 4.23 0.00 2.94 2.84 0.00 0.00 7.17 7.36 0.00 0.00 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 T 7.56 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 50 L 7.79 4.14 0.00 1.19 1.50 0.49 0.69 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 51 G 7.56 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.71 0.00 1.46 1.69 0.94 1.28 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 53 D 8.61 4.52 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 3.74 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.74 0.81 0.00 0.00 55 E 8.28 3.98 0.00 2.27 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 0.00 2.44 2.45 0.00 56 T 8.56 3.91 4.28 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 1.22 0.00 0.00 57 A 8.21 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 3.89 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 1.37 0.00 0.00 59 L 7.66 3.92 0.00 1.78 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.82 3.65 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 1.01 0.00 0.00 0.97 0.00 0.00 61 G 8.35 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 62 K 7.74 2.00 0.00 0.93 1.59 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.18 0.67 7.81 63 Q 7.51 4.18 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 64 I 7.86 3.73 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 1.37 1.02 0.96 0.00 0.00 65 V 8.13 3.69 2.21 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 1.16 0.00 0.00 1.23 0.00 0.00 66 E 8.54 4.00 0.00 2.22 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 0.00 2.34 2.37 0.00 67 W 8.32 4.12 0.00 3.53 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 68 I 8.08 3.75 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.96 0.00 0.00 69 L 8.24 4.12 0.00 1.71 1.74 0.99 0.97 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 70 K 8.07 4.00 0.00 1.62 1.91 0.00 1.64 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.91 1.15 7.81 71 E 7.74 3.80 0.00 1.99 1.93 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 2.26 2.27 0.00 72 E 7.57 4.18 0.00 2.15 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 2.39 2.21 0.00