NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3969 8.1476 120.3440 55.3853 34.2579 177.0919 2 S 3.9165 8.2767 112.8005 60.8268 62.7983 172.8737 3 L 4.3288 8.5331 121.8686 55.0807 42.8475 180.6625 4 E 3.5025 9.0482 120.4618 56.1678 29.3885 177.8073 5 K 3.7758 8.3260 114.5708 57.0835 31.7505 176.1097 6 A 4.5194 8.0725 121.2679 52.1949 19.0706 178.6826 7 H 4.7784 8.4397 112.2466 58.1086 28.8475 177.1075 8 T 3.8685 8.1827 109.9687 62.3115 69.3626 174.2338 9 S 3.7080 9.3466 117.3318 59.3347 63.0505 171.5479 10 V 3.2470 7.7196 112.9582 65.2184 28.4067 170.9355 11 K 3.8371 8.1084 119.0313 57.8219 29.9504 173.5498 12 K 3.7304 9.1616 126.6310 57.3232 30.8271 174.1640 13 M 3.9154 7.8739 114.3334 55.5793 30.1756 176.0250 14 T 5.0749 9.1906 117.1053 62.8205 68.8364 176.2525 15 F 4.2200 7.6113 119.4994 58.1105 37.9136 177.2578 16 G 4.9713 5.7176 125.2706 44.8665 0.0000 173.9695 17 E 3.6571 6.4453 121.1898 58.4761 29.9595 178.5993 18 N 4.3392 7.7914 117.4760 55.4163 37.6617 176.9609 19 R 4.1484 7.4718 118.3542 56.9010 30.0179 177.6809 20 D 4.4812 7.8611 120.1058 56.4017 39.0861 178.2016 21 L 3.9708 7.6918 119.8814 59.0191 40.5375 179.1694 22 E 3.8484 8.5092 118.5307 56.8051 27.2441 176.2151 23 R 4.5324 7.7022 116.0773 56.6027 30.1520 179.4281 24 V 3.5216 8.1504 113.5392 63.6904 32.2125 177.7124 25 V 3.2759 7.4341 112.6866 62.2142 28.8689 174.5474 26 T 3.6311 8.4214 113.5730 65.0410 69.5340 176.1539 27 A 3.6957 7.9536 122.1226 53.6872 15.1093 172.8480 28 P 4.7066 0.0000 0.0000 61.8462 30.6733 177.4457 29 V 3.7683 8.3942 115.7674 63.2926 32.1302 177.4226 30 S 4.3634 8.0106 114.1930 60.6528 63.2477 176.0675 31 S 4.1702 7.7225 118.3996 61.7408 62.3705 176.8602 32 G 3.7497 8.1118 108.7669 46.7924 0.0000 174.7868 33 K 3.9655 7.5422 119.6526 57.6810 32.4488 176.7853 34 I 4.6411 7.2077 111.1497 58.7302 40.0063 174.7927 35 K 4.7536 8.4376 120.9536 54.4850 35.9156 175.5254 36 R 4.6029 8.3878 116.2192 54.3163 31.5774 175.4594 37 V 4.1395 8.1384 120.2485 60.9949 33.7079 174.0943 38 N 4.5447 8.7597 126.8715 52.6625 38.8032 174.0519 39 V 4.2399 8.0175 125.2768 60.5973 34.2720 174.1459 40 N 4.4298 8.2692 122.9175 50.9862 38.5610 174.2373 41 F 4.8767 7.7703 121.8462 55.6551 41.5286 175.2867 42 D 4.6714 8.3280 119.9748 53.8103 43.1168 176.2931 43 E 4.0021 8.7590 123.2572 59.8361 29.4081 179.4380 44 E 3.9813 8.1701 119.0781 59.1050 29.6679 178.7666 45 K 3.8131 7.9278 119.3172 59.4310 32.2633 178.2531 46 H 4.3982 8.2889 118.8008 59.5752 29.8086 177.3752 47 T 3.9076 8.0129 117.6112 66.7589 68.2987 176.7092 48 R 3.9758 8.3727 120.8252 59.1191 29.9555 178.3447 49 F 4.6059 8.1687 120.8677 61.2029 39.3592 177.2894 50 K 3.8960 8.3140 118.0039 59.4584 31.8881 179.2406 51 A 4.0146 7.9451 120.5431 55.0718 18.3111 179.5694 52 A 4.0596 8.3253 119.3361 55.1480 18.4388 179.7990 53 C 4.0180 8.3048 115.6517 63.0289 28.1344 176.1570 54 A 4.0270 8.0209 122.3762 54.8875 17.6974 179.7149 55 R 3.9200 7.9074 116.8256 59.1129 30.3164 177.9656 56 K 4.2155 8.1516 117.0821 55.5153 33.6700 175.9601 57 G 3.8427 7.5021 105.2614 46.6382 0.0000 171.8584 58 T 4.5950 7.9318 110.9044 59.4154 71.7285 173.5969 59 S 4.3369 8.2566 120.0310 58.0840 64.2495 175.4665 60 I 3.4134 8.0800 122.6192 64.0631 37.2727 177.9656 61 T 4.2513 7.7000 115.9488 65.6314 68.6725 176.3913 62 D 4.3123 7.7855 119.9379 57.2768 41.4271 178.2424 63 V 3.6519 7.4968 112.5767 64.6414 31.6607 178.7411 64 V 3.8334 7.3399 118.2368 66.0543 30.9022 177.4974 65 N 4.4994 7.9409 115.7105 55.9262 38.6942 176.9431 66 Q 4.0895 7.8992 119.7174 58.7912 28.9498 178.0359 67 L 4.0371 8.0173 120.8662 58.9881 40.2664 179.5528 68 V 3.7148 7.8464 118.5480 65.6266 31.3163 177.4854 69 D 4.4384 7.8771 117.2621 56.6978 40.8901 176.9755 70 N 4.6825 8.2402 115.6862 54.3859 39.4420 175.5012 71 W 4.5251 7.8069 128.9765 59.2733 31.7061 177.4252 72 L 3.9158 8.5416 120.0796 57.4718 41.7274 178.1389 73 K 4.3101 7.5245 113.9104 56.6505 31.7059 176.9451 74 E 4.4316 7.4498 117.6945 58.0249 31.1172 177.7502 75 N 4.2855 7.5960 115.4274 55.2039 37.1747 174.6706 76 E 4.0188 7.0255 125.0615 56.2648 29.7050 175.6890 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 M 8.15 4.40 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 2 S 8.28 3.92 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 4.33 0.00 1.53 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.05 3.50 0.00 2.29 2.05 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 0.00 2.22 2.28 0.00 5 K 8.33 3.78 0.00 1.85 1.96 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.52 7.81 6 A 8.07 4.52 1.29 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 0.00 0.00 7 H 8.44 4.78 0.00 3.27 3.97 0.00 5.14 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.18 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 1.07 0.00 0.00 9 S 9.35 3.71 0.00 4.09 4.14 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 10 V 7.72 3.25 2.15 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 1.10 0.00 0.00 0.97 0.00 0.00 11 K 8.11 3.84 0.00 1.89 1.79 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 12 K 9.16 3.73 0.00 1.83 1.83 0.00 2.04 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.37 7.81 13 M 7.87 3.92 0.00 2.59 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 14 T 9.19 5.07 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 1.22 0.00 0.00 15 F 7.61 4.22 0.00 3.17 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 16 G 5.72 4.97 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 0.00 0.00 0.00 17 E 6.45 3.66 0.00 2.13 2.11 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 0.00 2.28 2.21 0.00 18 N 7.79 4.34 0.00 2.98 3.02 0.00 0.00 6.79 6.90 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 19 R 7.47 4.15 0.00 1.75 2.16 0.00 3.11 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 20 D 7.86 4.48 0.00 2.87 2.93 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 21 L 7.69 3.97 0.00 1.80 1.98 0.91 1.32 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 22 E 8.51 3.85 0.00 2.39 2.17 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 2.29 2.32 0.00 23 R 7.70 4.53 0.00 1.84 1.93 0.00 3.30 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 24 V 8.15 3.52 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 0.62 0.00 0.00 1.01 0.00 0.00 25 V 7.43 3.28 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 0.65 0.00 0.00 1.00 0.00 0.00 26 T 8.42 3.63 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 27 A 7.95 3.70 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.20 2.01 0.00 3.60 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 2.12 2.17 0.00 29 V 8.39 3.77 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 0.91 0.00 0.00 0.93 0.00 0.00 30 S 8.01 4.36 0.00 4.05 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 31 S 7.72 4.17 0.00 4.04 4.18 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 0.00 0.00 0.00 0.00 32 G 8.11 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 0.00 0.00 0.00 33 K 7.54 3.97 0.00 1.90 1.93 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.63 7.81 34 I 7.21 4.64 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.92 0.00 0.00 35 K 8.44 4.75 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 36 R 8.39 4.60 0.00 1.87 1.88 0.00 3.14 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 37 V 8.14 4.14 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 0.80 0.00 0.00 0.93 0.00 0.00 38 N 8.76 4.54 0.00 2.68 2.68 0.00 0.00 6.89 7.64 0.00 0.00 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 V 8.02 4.24 1.59 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 0.85 0.00 0.00 1.00 0.00 0.00 40 N 8.27 4.43 0.00 2.68 2.62 0.00 0.00 5.91 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 41 F 7.77 4.88 0.00 3.09 2.89 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 42 D 8.33 4.67 0.00 2.82 2.55 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 43 E 8.76 4.00 0.00 2.03 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 2.34 0.00 44 E 8.17 3.98 0.00 2.04 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 2.30 2.32 0.00 45 K 7.93 3.81 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.95 1.22 7.81 46 H 8.29 4.40 0.00 3.38 3.48 0.00 5.66 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 47 T 8.01 3.91 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 1.23 0.00 0.00 48 R 8.37 3.98 0.00 2.08 1.89 0.00 3.05 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 49 F 8.17 4.61 0.00 3.34 2.92 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 0.00 0.00 0.00 50 K 8.31 3.90 0.00 2.01 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.56 7.81 51 A 7.95 4.01 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 52 A 8.33 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 4.02 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.03 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 55 R 7.91 3.92 0.00 2.14 1.98 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 56 K 8.15 4.22 0.00 2.01 1.80 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.49 7.81 57 G 7.50 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 0.00 0.00 0.00 58 T 7.93 4.59 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 1.17 0.00 0.00 59 S 8.26 4.34 0.00 3.86 3.72 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 60 I 8.08 3.41 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.85 0.00 0.00 61 T 7.70 4.25 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 1.22 0.00 0.00 62 D 7.79 4.31 0.00 2.76 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 63 V 7.50 3.65 2.17 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 0.73 0.00 0.00 0.47 0.00 0.00 64 V 7.34 3.83 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 1.27 0.00 0.00 1.21 0.00 0.00 65 N 7.94 4.50 0.00 2.92 2.99 0.00 0.00 7.23 6.87 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 66 Q 7.90 4.09 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 67 L 8.02 4.04 0.00 1.92 1.93 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.85 3.71 2.15 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 1.25 0.00 0.00 0.98 0.00 0.00 69 D 7.88 4.44 0.00 3.17 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 70 N 8.24 4.68 0.00 2.96 2.89 0.00 0.00 7.05 7.51 0.00 0.00 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 W 7.81 4.53 0.00 3.45 3.21 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 0.00 72 L 8.54 3.92 0.00 2.16 1.76 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.52 4.31 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.72 7.81 74 E 7.45 4.43 0.00 2.07 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 2.27 2.56 0.00 75 N 7.60 4.29 0.00 2.34 2.01 0.00 0.00 6.19 5.84 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 76 E 7.03 4.02 0.00 2.18 1.76 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 2.05 2.25 0.00