NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1405 8.1849 122.4908 54.8734 43.1477 176.2514 5 R 4.0997 8.4829 125.0594 53.9901 29.8388 170.6241 6 V 4.2033 8.8114 124.9402 60.7048 33.5064 175.8002 7 Q 4.0957 8.6307 126.8256 55.7167 30.3893 175.8797 8 P 4.2871 0.0000 0.0000 66.3024 31.1867 178.6303 9 E 4.0443 8.1787 116.2862 58.5446 29.2850 178.8389 10 A 3.9954 7.7523 121.6818 55.0604 18.6906 179.1420 11 Q 3.9178 8.5547 118.3356 59.1396 29.0550 178.2840 12 A 3.9903 8.0321 121.9651 55.0207 18.5434 179.5182 13 K 3.8462 7.8877 116.5574 59.7105 32.0832 179.6971 14 V 3.6535 7.5225 117.6962 66.2444 31.6334 177.5745 15 D 4.4178 8.3866 118.9952 57.5460 40.6590 179.2918 16 V 3.5841 7.8560 118.4687 65.9108 31.5543 177.7880 17 F 4.2458 8.1285 119.9524 61.6068 38.8428 177.3662 18 R 3.6695 8.5224 117.5983 58.5813 29.6389 178.9437 19 E 3.9679 7.7982 118.2875 59.1621 29.6995 178.3822 20 D 4.2866 7.8936 118.8837 57.4414 40.9108 178.8356 21 L 3.7414 7.6357 120.6250 58.1033 41.9232 178.5908 22 C 4.0192 7.5066 118.0441 62.6089 31.4815 175.5366 23 T 3.9342 7.9740 117.4095 66.8059 68.0285 176.5123 24 K 3.8056 8.2901 120.5608 60.0897 32.1367 179.5273 25 T 3.7639 7.9605 115.7420 66.4241 68.2936 176.8498 26 E 3.9499 8.2633 120.8152 59.2669 29.4751 179.1501 27 N 4.3169 8.0831 116.7612 56.0010 38.6188 177.2837 28 L 3.7673 7.9000 120.5950 57.7416 41.3462 179.5796 29 L 3.8120 7.4636 118.3260 57.8094 41.5101 179.8906 30 G 3.5624 7.9489 103.2633 46.6909 0.0000 173.5328 31 S 4.6273 7.6708 113.5591 59.1822 67.2554 175.2390 32 Y 4.0310 8.1714 120.2967 60.7350 38.5013 178.0637 33 F 4.4838 8.5527 118.6030 60.4906 39.0000 176.0522 34 P 4.3679 0.0000 0.0000 65.1107 31.0247 178.7369 35 K 3.9369 7.9624 118.7004 59.5350 32.2169 178.9584 36 K 3.7751 8.2127 119.1363 59.5969 31.7941 179.3298 37 I 3.6904 7.7912 119.9513 64.4881 36.9579 178.7238 38 S 4.1623 7.7668 116.0885 61.3494 62.7276 176.4637 39 E 3.9268 8.2784 121.3242 59.5495 29.3017 179.4630 40 L 4.1406 8.0372 118.9071 57.9285 41.4691 179.0582 41 D 4.3552 7.7501 116.8597 57.2535 41.4194 178.0056 42 A 4.1625 7.8523 121.0048 54.9571 18.5122 179.1264 43 F 4.4141 8.3269 119.2388 61.8312 39.1385 177.4522 44 L 3.8372 7.8484 117.4662 57.4428 41.5369 178.8698 45 K 4.2169 7.6698 115.3870 56.3670 32.5433 176.9404 46 E 4.3471 7.4597 121.3382 54.7434 30.7878 175.4541 47 P 4.2161 0.0000 0.0000 65.6612 31.7843 178.6560 48 A 4.0125 8.2535 119.7915 55.2348 18.2785 177.9955 49 L 4.5316 7.4875 113.2722 54.7641 41.6680 177.8071 50 N 4.9475 7.9460 117.0206 51.4275 39.7545 171.8990 51 E 4.5967 8.0498 118.0092 54.0678 32.4354 176.1990 52 A 3.9817 8.8543 127.3312 54.8958 18.8116 177.0813 53 N 4.7146 7.9157 116.0882 52.0387 38.8056 175.8177 54 L 4.2646 8.3168 123.4354 56.0619 42.3686 178.6581 55 S 4.4612 7.9028 114.3095 59.4048 63.1445 175.2474 56 N 4.4749 7.6682 118.1287 54.8100 38.7911 176.2903 57 L 4.0505 7.6012 119.2813 56.6239 42.4254 176.8390 58 K 3.6856 7.1792 118.9343 57.0194 32.2713 175.3383 59 A 4.7411 8.2855 128.8965 49.3412 20.9538 174.5086 60 P 4.3672 0.0000 0.0000 63.0094 32.2854 176.6768 61 L 4.6487 7.9892 121.7358 53.0777 41.7893 174.8855 62 D 4.4198 7.9526 118.4693 54.4020 41.9665 175.8792 63 I 4.2074 8.0769 126.4970 61.6958 38.2542 174.9836 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 4 L 8.18 4.14 0.00 1.60 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.48 4.10 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 V 8.81 4.20 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.63 4.10 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 8 P 0.00 4.29 0.00 2.26 2.32 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 9 E 8.18 4.04 0.00 2.18 2.25 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 2.36 2.31 0.00 10 A 7.75 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 3.92 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 12 A 8.03 3.99 1.43 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 0.00 0.00 13 K 7.89 3.85 0.00 2.00 1.89 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 14 V 7.52 3.65 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 1.18 0.00 0.00 0.94 0.00 0.00 15 D 8.39 4.42 0.00 2.88 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 16 V 7.86 3.58 2.32 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 1.03 0.00 0.00 0.98 0.00 0.00 17 F 8.13 4.25 0.00 3.14 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 18 R 8.52 3.67 0.00 2.01 1.92 0.00 3.22 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 19 E 7.80 3.97 0.00 2.15 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 2.29 2.64 0.00 20 D 7.89 4.29 0.00 2.75 2.67 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 21 L 7.64 3.74 0.00 1.19 1.28 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.51 4.02 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.93 4.34 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 1.16 0.00 0.00 24 K 8.29 3.81 0.00 1.78 1.76 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.56 7.81 25 T 7.96 3.76 4.31 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 1.11 0.00 0.00 26 E 8.26 3.95 0.00 1.95 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 2.28 2.58 0.00 27 N 8.08 4.32 0.00 2.86 2.83 0.00 0.00 6.94 6.81 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 28 L 7.90 3.77 0.00 1.64 0.98 0.60 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.46 3.81 0.00 1.61 1.63 0.84 0.92 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 30 G 7.95 3.56 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 0.00 0.00 0.00 31 S 7.67 4.63 0.00 3.68 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 32 Y 8.17 4.03 0.00 3.17 3.14 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 33 F 8.55 4.48 0.00 3.19 3.09 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 34 P 0.00 4.37 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 35 K 7.96 3.94 0.00 1.88 1.85 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 36 K 8.21 3.78 0.00 1.83 1.74 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.50 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.80 1.29 7.81 37 I 7.79 3.69 2.04 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 1.49 1.01 0.91 0.00 0.00 38 S 7.77 4.16 0.00 3.96 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 39 E 8.28 3.93 0.00 1.96 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 2.28 2.57 0.00 40 L 8.04 4.14 0.00 1.76 1.76 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.75 4.36 0.00 2.85 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 42 A 7.85 4.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.41 0.00 3.07 3.17 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 0.00 0.00 0.00 44 L 7.85 3.84 0.00 1.82 1.64 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 4.22 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.70 7.81 46 E 7.46 4.35 0.00 2.40 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 2.37 2.34 0.00 47 P 0.00 4.22 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 48 A 8.25 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.53 0.00 1.66 1.47 -0.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.95 4.95 0.00 2.73 2.68 0.00 0.00 6.65 7.06 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 51 E 8.05 4.60 0.00 1.90 1.83 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 2.19 2.34 0.00 52 A 8.85 3.98 1.27 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 53 N 7.92 4.71 0.00 2.76 2.77 0.00 0.00 7.10 6.74 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 54 L 8.32 4.26 0.00 1.70 1.69 0.91 0.98 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 55 S 7.90 4.46 0.00 3.88 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 56 N 7.67 4.47 0.00 2.86 2.87 0.00 0.00 6.88 7.75 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 57 L 7.60 4.05 0.00 1.57 1.97 0.92 0.68 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 58 K 7.18 3.69 0.00 1.93 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.42 7.81 59 A 8.29 4.74 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 60 P 0.00 4.37 0.00 2.19 2.07 0.00 3.71 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 61 L 7.99 4.65 0.00 1.55 1.57 0.92 1.21 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 62 D 7.95 4.42 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 63 I 8.08 4.21 1.87 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 1.27 0.96 0.91 0.00 0.00