NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.3120 8.4449 121.4704 55.9883 30.8093 174.3822 13 L 4.7192 8.1494 120.8191 51.8421 45.2409 171.0068 14 V 4.2589 8.2433 119.8060 60.9569 35.0855 174.3266 15 D 4.5693 8.6405 127.0933 52.7599 41.0292 174.5822 16 P 4.2966 0.0000 0.0000 65.8975 30.6593 177.8331 17 L 3.9462 8.1133 120.3133 58.4752 41.9799 178.8545 18 T 3.8701 7.8392 109.3431 65.1976 68.5374 176.3028 19 T 3.8454 7.8272 117.8007 66.6725 68.6734 176.6617 20 I 3.8735 8.0439 121.5649 64.0833 37.0411 178.7318 21 R 3.9551 8.2731 119.5764 59.2162 29.6660 178.8137 22 E 4.0804 8.0515 117.9762 59.8437 29.3614 178.5665 23 H 4.0755 7.9377 116.8237 59.9665 29.6676 176.1583 24 C 4.3919 8.4168 117.9501 59.7308 39.9079 175.6243 25 E 4.0353 8.0934 118.8357 58.1386 29.3344 177.4976 26 Q 4.5492 7.5965 118.2700 55.8129 30.5911 175.4595 27 T 4.6344 6.9558 114.5645 61.2199 71.9322 175.0865 28 E 3.8930 9.0223 125.6804 59.6776 29.4342 179.5577 29 K 3.9111 7.9988 117.4562 59.7660 31.9689 178.9098 30 C 4.1922 8.0112 116.1325 63.0275 28.2866 175.8610 31 V 3.6294 8.4415 120.0902 66.3901 31.0260 178.3319 32 K 3.9848 8.1609 117.4885 59.3159 31.9762 179.2776 33 A 4.0341 8.0383 121.0420 55.3085 18.4274 179.5632 34 R 3.5019 9.2336 118.2908 59.4042 29.9068 178.4017 35 E 3.8719 7.9470 118.6635 59.3669 29.6743 179.0347 36 R 3.9406 7.9241 117.9744 58.9034 29.9739 178.7639 37 L 3.8885 7.8728 120.1872 58.4025 42.1008 178.8496 38 E 3.7602 7.9991 118.2748 59.3708 29.2970 179.6545 39 L 3.9273 7.7204 118.6715 57.7945 41.6675 178.4805 40 C 4.1418 8.2326 118.4120 59.7687 43.9114 174.7644 41 D 4.2730 8.7389 119.8748 57.6177 40.7819 177.9561 42 A 3.9756 8.1646 121.2015 55.5555 18.1702 179.8918 43 R 4.1058 7.8191 114.6944 58.6886 29.6156 178.9072 44 V 3.7161 7.9251 118.8357 65.9766 31.6346 178.0300 45 S 4.3312 8.2728 114.2848 60.5565 62.7007 175.3859 46 S 4.7843 7.6874 116.1314 57.8329 63.6665 173.4945 47 R 4.9490 7.6378 120.0996 55.7569 33.8449 175.0212 48 S 4.7144 7.9880 112.5521 58.6426 63.9625 173.8675 49 H 4.4921 8.0296 115.6242 56.3720 31.3276 173.1473 50 T 4.5167 8.0003 111.5503 60.3211 68.8829 174.2585 51 E 4.1944 8.9770 125.5546 59.5192 30.2509 176.4123 52 E 3.7259 7.1928 116.9468 54.1005 31.6609 175.6157 53 Q 4.6044 8.1417 122.1678 54.2345 33.1752 175.8149 54 C 5.5995 8.2862 115.1619 56.5875 39.1397 176.1582 55 T 3.4524 7.7284 118.9252 66.7842 67.8934 175.2364 56 E 3.8347 7.9809 120.1965 59.7522 29.6271 178.9016 57 E 3.9941 8.0368 117.6426 59.3274 29.5404 178.9516 58 L 4.1400 8.3714 120.8716 58.0779 42.1382 179.0872 59 F 4.5216 9.0692 118.3909 60.9458 39.0389 177.2283 60 D 4.5217 8.4993 118.5946 57.3958 40.5900 178.9263 61 F 4.2121 8.3318 120.6664 61.4799 39.5189 177.2551 62 L 3.8081 8.4612 119.0085 57.8237 41.3768 179.1551 63 H 3.9309 8.8604 118.2478 59.1561 29.7398 177.2477 64 A 3.9474 7.8226 122.2809 55.0580 18.1692 179.4855 65 R 3.5849 8.0028 117.4381 59.7847 30.1605 178.5262 66 D 4.2507 8.2638 118.9933 57.5018 40.5149 178.3502 67 H 4.0011 7.9676 118.1677 59.1909 29.7235 176.2768 68 C 4.3645 7.8732 120.3060 59.6821 39.5023 175.6088 69 V 3.5279 7.9550 119.7499 65.8251 30.6812 177.6785 70 A 3.7461 7.8787 120.4882 55.6749 18.0145 179.1881 71 H 3.9275 7.6406 111.7747 58.3951 28.9944 177.0843 72 K 4.4587 7.5752 118.6436 56.8672 33.7643 177.8880 73 L 3.9682 8.3652 121.2022 58.6261 41.4829 179.1553 74 F 4.5585 8.2782 115.9439 59.7794 38.5896 177.1119 75 N 4.5226 8.1543 116.4414 55.5746 38.3555 175.7614 76 K 4.5006 7.7723 117.5225 55.9684 32.2666 176.0712 77 L 4.7796 7.3364 117.5050 52.7809 44.6688 176.6255 78 K 4.0922 8.3832 120.3145 56.6279 32.1548 176.2388 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 12 E 8.44 4.31 0.00 1.95 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 2.19 2.34 0.00 13 L 8.15 4.72 0.00 1.70 1.51 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.24 4.26 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 0.81 0.00 0.00 0.94 0.00 0.00 15 D 8.64 4.57 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.32 2.34 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 17 L 8.11 3.95 0.00 1.85 1.98 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.84 3.87 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 1.23 0.00 0.00 19 T 7.83 3.85 4.41 0.00 0.00 0.00 0.00 0.00 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 20 I 8.04 3.87 1.90 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 1.54 1.05 0.94 0.00 0.00 21 R 8.27 3.96 0.00 2.06 2.02 0.00 3.31 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 22 E 8.05 4.08 0.00 2.16 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 2.37 2.67 0.00 23 H 7.94 4.08 0.00 3.15 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.42 4.39 0.00 3.24 3.05 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 0.00 0.00 0.00 25 E 8.09 4.04 0.00 2.19 2.16 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 2.73 2.62 0.00 26 Q 7.60 4.55 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.62 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 27 T 6.96 4.63 4.35 0.00 0.00 0.00 0.00 0.00 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 28 E 9.02 3.89 0.00 2.02 1.97 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 2.39 2.44 0.00 29 K 8.00 3.91 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 30 C 8.01 4.19 0.00 3.29 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 31 V 8.44 3.63 2.27 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 1.04 0.00 0.00 1.02 0.00 0.00 32 K 8.16 3.98 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.79 7.81 33 A 8.04 4.03 1.58 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 0.00 0.00 34 R 9.23 3.50 0.00 1.44 2.16 0.00 3.13 0.00 0.00 2.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 35 E 7.95 3.87 0.00 2.29 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 0.00 2.29 2.33 0.00 36 R 7.92 3.94 0.00 2.05 1.97 0.00 3.20 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 37 L 7.87 3.89 0.00 1.73 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.00 3.76 0.00 2.15 1.95 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 2.24 2.53 0.00 39 L 7.72 3.93 0.00 1.83 1.69 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.23 4.14 0.00 2.97 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 41 D 8.74 4.27 0.00 2.80 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 42 A 8.16 3.98 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 43 R 7.82 4.11 0.00 1.99 2.07 0.00 3.06 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 44 V 7.93 3.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 45 S 8.27 4.33 0.00 4.03 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 46 S 7.69 4.78 0.00 4.06 4.05 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 0.00 0.00 0.00 47 R 7.64 4.95 0.00 1.76 1.86 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.90 0.00 48 S 7.99 4.71 0.00 3.81 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 49 H 8.03 4.49 0.00 3.00 3.21 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.00 4.52 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 1.20 0.00 0.00 51 E 8.98 4.19 0.00 1.98 1.96 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 2.26 2.22 0.00 52 E 7.19 3.73 0.00 1.92 1.79 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 2.26 2.37 0.00 53 Q 8.14 4.60 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.17 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 54 C 8.29 5.60 0.00 2.89 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 55 T 7.73 3.45 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56 E 7.98 3.83 0.00 1.96 1.92 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 2.39 2.45 0.00 57 E 8.04 3.99 0.00 2.24 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 2.39 2.43 0.00 58 L 8.37 4.14 0.00 1.76 1.91 1.13 0.99 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 59 F 9.07 4.52 0.00 3.31 3.05 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 0.00 0.00 0.00 60 D 8.50 4.52 0.00 2.92 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 61 F 8.33 4.21 0.00 3.20 3.33 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 62 L 8.46 3.81 0.00 1.81 1.67 1.07 0.96 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 63 H 8.86 3.93 0.00 3.24 3.42 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 64 A 7.82 3.95 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 65 R 8.00 3.58 0.00 1.03 1.41 0.00 3.07 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 66 D 8.26 4.25 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.97 4.00 0.00 3.15 3.40 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.87 4.36 0.00 3.01 3.29 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 69 V 7.96 3.53 2.16 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 0.77 0.00 0.00 0.93 0.00 0.00 70 A 7.88 3.75 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 71 H 7.64 3.93 0.00 3.31 3.41 0.00 5.81 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.58 4.46 0.00 1.66 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 73 L 8.37 3.97 0.00 1.82 1.74 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.28 4.56 0.00 2.99 3.04 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 0.00 0.00 0.00 75 N 8.15 4.52 0.00 2.99 2.90 0.00 0.00 6.92 7.73 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 76 K 7.77 4.50 0.00 1.79 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 77 L 7.34 4.78 0.00 1.50 1.39 0.86 0.75 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 78 K 8.38 4.09 0.00 1.67 1.63 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81