NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1055 8.5798 109.1366 45.2555 0.0000 172.6093 2 S 4.3267 9.3461 120.3818 57.2890 65.9413 174.7411 3 S 4.5102 8.4162 114.8189 58.7710 65.3205 176.3508 4 G 4.0231 7.5280 110.5235 45.8109 0.0000 172.3656 5 S 4.6625 7.8652 112.2649 57.9634 64.5941 176.1953 6 S 4.5626 8.5959 118.8588 58.7653 64.4157 176.4722 7 G 4.1423 9.2215 110.2281 45.1550 0.0000 173.6206 8 L 4.5456 7.5918 121.6064 53.5567 45.9105 175.8800 9 L 4.6784 8.6755 119.5748 56.4246 43.6292 173.5780 10 S 3.5829 8.1462 109.4684 59.6233 59.9002 170.3951 11 H 4.7266 8.0439 120.6459 53.7659 29.8893 171.1622 12 M 4.4932 8.2801 120.7479 53.2996 32.8620 174.6690 13 D 5.0845 7.8128 132.8994 54.3543 41.2453 176.4884 14 D 4.6277 6.6943 116.5381 52.5608 43.9198 174.2585 15 P 4.3771 0.0000 0.0000 64.6211 31.7585 176.2390 16 D 4.4210 7.4546 119.0311 53.5933 42.4531 175.4276 17 I 4.1917 7.7993 133.1550 58.4351 36.6390 176.4950 18 D 4.9330 7.1808 121.3337 53.1610 43.0952 177.8554 19 A 4.3958 7.2717 118.3400 51.4123 20.9506 175.5255 20 P 4.6242 0.0000 0.0000 62.3903 30.6535 178.4156 21 I 4.4440 7.1682 117.4316 60.2552 40.8126 175.5315 22 S 3.9511 8.8269 119.2775 58.4449 62.6299 173.3281 23 H 3.8794 8.9051 125.8567 56.7870 29.9320 174.3306 24 Q 4.1340 8.2833 126.4175 56.4808 29.8434 171.9599 25 T 3.3781 8.3663 124.2289 62.4431 68.0747 172.3621 26 S 4.3208 8.2516 120.1775 58.4373 63.3975 175.0233 27 D 4.3315 8.5457 120.3975 57.1872 40.4713 177.1287 28 I 3.7211 7.0484 117.9683 61.0421 36.4681 175.9928 29 D 4.4456 8.4106 126.1695 54.2067 42.3058 177.2822 30 Q 3.9456 8.6221 124.3107 59.3532 29.0074 178.4362 31 S 4.0950 8.0017 112.7974 61.3251 62.5838 175.9929 32 S 4.1636 7.8451 117.3945 61.7210 62.8715 176.3271 33 V 3.4590 7.5278 120.3322 66.4191 31.1606 177.6023 34 D 4.4344 7.8374 117.6237 57.4755 40.6456 178.1197 35 T 4.0043 8.0656 116.5309 66.4278 68.3586 175.7514 36 L 3.8325 7.4489 118.4866 56.1443 41.9055 178.8627 37 L 4.2645 7.9878 119.1509 57.9053 41.6875 179.3946 38 S 4.3147 8.1175 114.5526 61.5185 62.7464 176.0902 39 F 4.0483 7.8042 119.2585 61.2607 40.0738 174.4127 40 G 2.7436 5.9620 104.4495 44.2582 0.0000 172.3813 41 F 5.0739 6.9862 116.6259 54.9238 43.8488 175.2768 42 A 4.2741 8.7010 124.7545 51.7818 20.0485 178.2558 43 E 3.6522 9.0796 124.5465 59.7609 29.4672 179.2820 44 D 4.3101 8.0567 118.0865 57.5476 40.9878 178.8149 45 V 3.6831 7.8794 117.8850 65.8598 31.4814 177.5777 46 A 3.6802 8.7091 121.4882 55.0221 18.1518 179.3869 47 R 3.8647 7.7675 116.6646 58.8033 30.2206 178.8422 48 K 3.5558 7.8975 118.3374 59.0884 32.0327 179.2139 49 A 2.5800 7.9570 121.6448 54.5526 18.3487 179.2902 50 L 4.0418 7.2900 115.8095 56.1719 41.5034 179.2945 51 K 3.7509 7.1202 119.6341 58.9674 32.3060 178.0371 52 A 4.0892 6.8685 119.6662 54.6200 18.9609 179.6108 53 S 4.1904 8.0523 114.1223 61.2251 64.1459 174.1832 54 G 3.8820 7.3078 108.9805 46.1426 0.0000 172.2484 55 G 4.0865 7.8184 115.5061 46.8170 0.0000 171.7534 56 D 4.3022 7.8014 123.1018 54.0200 40.9028 177.9169 57 I 3.5469 8.2702 125.6963 64.5415 37.5423 177.9585 58 E 4.2590 8.3019 118.8375 59.8392 29.1312 179.7574 59 K 4.1124 7.9525 117.3718 59.0073 32.3391 179.1189 60 A 4.1267 7.8080 122.4222 55.0533 17.5506 179.7733 61 T 3.2581 8.9018 114.7031 66.3492 67.9965 176.3263 62 D 3.8793 7.3128 118.4788 56.5776 41.4206 177.7302 63 W 4.2614 8.4356 129.6798 60.6799 30.2994 177.6318 64 V 3.5282 7.3354 116.4151 66.2593 30.8372 177.8406 65 F 4.5281 6.4397 115.8390 60.7235 38.9599 177.0132 66 N 4.3624 8.7846 115.8113 54.9737 38.8338 174.8886 67 N 4.7863 7.5589 114.8774 50.5556 40.4519 173.8783 68 S 4.6632 7.3099 117.5442 58.6669 65.8705 176.6672 69 G 4.2702 8.1628 110.3998 42.7461 0.0000 170.8426 70 P 4.2679 0.0000 0.0000 63.2806 32.0774 176.9097 71 S 3.5142 8.6071 116.3502 58.9214 62.3532 172.5931 72 S 4.5185 8.1656 114.8119 57.2735 62.7521 173.8441 73 G 3.7723 8.3186 113.5673 45.0828 0.0000 171.2262 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 8.58 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 9.35 4.33 0.00 3.94 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 3 S 8.42 4.51 0.00 3.83 3.76 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 0.00 0.00 0.00 4 G 7.53 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.66 0.00 3.81 3.71 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 6 S 8.60 4.56 0.00 3.97 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 7 G 9.22 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 0.00 0.00 0.00 8 L 7.59 4.55 0.00 1.58 1.54 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.68 4.68 0.00 1.59 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.15 3.58 0.00 3.94 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 11 H 8.04 4.73 0.00 3.05 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.28 4.49 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 13 D 7.81 5.08 0.00 2.71 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 14 D 6.69 4.63 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.26 2.22 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 16 D 7.45 4.42 0.00 2.83 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 17 I 7.80 4.19 1.88 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 1.30 0.86 0.91 0.00 0.00 18 D 7.18 4.93 0.00 2.60 2.57 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 19 A 7.27 4.40 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 20 P 0.00 4.62 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 21 I 7.17 4.44 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.90 0.00 0.00 22 S 8.83 3.95 0.00 3.82 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 23 H 8.91 3.88 0.00 3.09 3.25 0.00 5.97 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.28 4.13 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.80 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 25 T 8.37 3.38 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 26 S 8.25 4.32 0.00 3.83 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 27 D 8.55 4.33 0.00 2.60 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 28 I 7.05 3.72 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.37 0.82 0.00 0.00 29 D 8.41 4.45 0.00 2.73 2.57 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 30 Q 8.62 3.95 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 31 S 8.00 4.10 0.00 3.89 3.87 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 0.00 0.00 0.00 32 S 7.85 4.16 0.00 4.02 3.80 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 33 V 7.53 3.46 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 0.97 0.00 0.00 0.93 0.00 0.00 34 D 7.84 4.43 0.00 2.78 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 35 T 8.07 4.00 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 1.10 0.00 0.00 36 L 7.45 3.83 0.00 1.88 1.91 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 4.26 0.00 1.88 1.78 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.12 4.31 0.00 4.06 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 39 F 7.80 4.05 0.00 2.94 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 40 G 5.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.99 5.07 0.00 3.06 2.87 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 0.00 0.00 0.00 42 A 8.70 4.27 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 43 E 9.08 3.65 0.00 2.06 2.02 0.00 0.00 0.00 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 2.44 0.00 44 D 8.06 4.31 0.00 2.77 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 45 V 7.88 3.68 2.31 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 1.17 0.00 0.00 1.07 0.00 0.00 46 A 8.71 3.68 1.42 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 0.00 0.00 47 R 7.77 3.86 0.00 2.08 1.82 0.00 3.06 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 48 K 7.90 3.56 0.00 1.86 1.55 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.57 7.81 49 A 7.96 2.58 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 50 L 7.29 4.04 0.00 1.52 1.56 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.12 3.75 0.00 1.58 1.57 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.29 7.81 52 A 6.87 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.05 4.19 0.00 3.68 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 54 G 7.31 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 0.00 0.00 0.00 55 G 7.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.80 4.30 0.00 2.72 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 57 I 8.27 3.55 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.01 0.60 0.00 0.00 58 E 8.30 4.26 0.00 2.02 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 2.50 2.49 0.00 59 K 7.95 4.11 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 60 A 7.81 4.13 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 61 T 8.90 3.26 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 1.68 0.00 0.00 62 D 7.31 3.88 0.00 2.88 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 63 W 8.44 4.26 0.00 3.37 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 64 V 7.34 3.53 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.51 0.00 0.00 65 F 6.44 4.53 0.00 3.27 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 66 N 8.78 4.36 0.00 2.68 2.75 0.00 0.00 6.95 8.08 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 67 N 7.56 4.79 0.00 2.23 2.35 0.00 0.00 6.52 6.26 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 68 S 7.31 4.66 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.16 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 0.00 0.00 0.00 0.00 70 P 0.00 4.27 0.00 2.21 2.07 0.00 3.93 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 71 S 8.61 3.51 0.00 3.99 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 72 S 8.17 4.52 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.32 3.77 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 0.00 0.00 0.00