NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.0463 8.1733 121.7728 55.8809 33.4497 176.2491 5 F 4.2140 8.2998 114.9606 57.7717 38.1994 175.5554 6 N 4.3240 8.7150 120.0272 56.8707 39.2791 176.6908 7 K 4.0260 8.0144 120.5418 59.2185 32.3465 178.2491 8 E 4.0201 8.2848 118.5874 59.7360 29.4712 179.2808 9 L 4.1570 8.2801 118.8764 57.6947 41.6130 179.6847 10 S 4.1033 7.9611 113.0704 61.4941 62.4008 176.4729 11 V 3.6006 8.3282 121.1861 65.7822 31.2275 177.8549 12 A 4.0873 8.6289 121.1551 55.0227 18.2017 179.6267 13 G 3.6958 8.3731 104.6525 48.2840 0.0000 175.9902 14 R 3.9406 8.1561 121.2402 58.6696 29.8566 178.8044 15 E 3.9168 8.1471 118.0554 59.2948 29.9927 178.6518 16 I 3.7627 7.9194 119.8430 64.6121 37.0259 178.9840 17 V 3.7656 7.8872 111.8419 63.8156 31.4143 177.7251 18 T 4.3893 7.5132 107.2143 60.6980 69.2686 174.8844 19 L 4.0662 7.2684 123.5975 54.3767 41.8705 175.6089 20 P 4.3672 0.0000 0.0000 65.1064 31.6577 176.7809 21 N 4.6903 8.5771 114.6780 53.0777 38.9770 174.8759 22 L 4.5383 7.5409 119.0566 53.7616 43.0669 176.7843 23 N 4.7650 8.9020 120.9454 51.7769 40.0363 176.1077 24 D 4.3375 8.5369 120.0331 57.4672 40.8985 177.3070 25 P 4.2519 0.0000 0.0000 65.9278 31.2063 178.7194 26 Q 4.0567 8.8524 117.0653 58.7763 28.6586 178.7808 27 K 4.0649 8.1249 119.5215 59.5269 32.1055 179.1932 28 K 3.9329 8.5080 119.9958 59.3921 31.9383 178.5940 29 A 3.8180 7.9900 120.9005 55.1518 18.3410 179.5584 30 F 3.9612 8.4128 116.3606 60.8131 39.0535 177.9357 31 I 3.8922 8.5012 119.7510 64.5776 36.9000 178.5216 32 F 4.2124 8.8416 118.7225 60.7543 38.7807 177.9370 33 S 4.1749 8.4944 114.8867 61.4372 62.4036 176.2555 34 L 3.9767 8.4492 122.2867 58.0919 41.8527 178.6595 35 W 4.1350 8.1847 126.7202 60.6792 30.7832 177.4125 36 D 4.6206 8.2288 117.6201 56.3387 41.6196 176.6781 37 D 4.5585 8.0094 118.3813 51.4848 41.7651 173.3984 38 P 4.0615 0.0000 0.0000 64.5284 32.0980 178.6752 39 S 3.5831 7.6963 112.0884 61.1762 62.2682 176.2449 40 Q 4.6368 7.6715 118.3390 55.6031 29.8038 178.2585 41 S 4.0918 7.5989 117.8752 61.8232 63.0349 175.2832 42 A 4.0111 8.0722 123.9215 54.8774 18.0432 179.2821 43 N 4.3426 7.9857 114.4219 56.3447 38.7890 177.4354 44 L 4.1745 8.1439 120.5029 57.7636 41.7030 179.2339 45 L 3.8145 8.1576 120.0102 58.1191 41.9674 178.7702 46 A 3.9532 7.7919 120.0280 55.2734 18.3424 179.1171 47 E 3.9124 8.4315 117.5941 59.5313 29.6926 178.9462 48 A 3.3417 8.2408 121.1029 54.6676 18.2453 179.8578 49 K 3.8277 8.1567 117.4843 59.2928 32.0799 179.2810 50 K 3.8442 8.3033 120.3643 59.7187 32.0934 178.5741 51 L 3.9690 8.0934 120.3335 58.0337 41.7331 178.3820 52 N 4.3214 7.9767 116.5754 56.4034 39.0985 176.0703 53 D 4.4311 8.1778 119.4987 57.0694 41.1548 178.0625 54 A 4.0674 8.0149 120.5292 54.7150 18.4024 178.5950 55 Q 4.3856 7.6939 113.6778 54.9272 29.2519 176.0643 56 A 4.1944 7.0917 123.5270 50.9061 19.0714 176.1475 57 P 4.1529 0.0000 0.0000 63.1629 31.8904 176.8511 58 K 4.1809 8.5799 120.4586 56.9498 32.7534 176.0836 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 K 8.17 4.05 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.39 7.81 5 F 8.30 4.21 0.00 3.16 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 6 N 8.71 4.32 0.00 2.83 2.84 0.00 0.00 6.84 5.61 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 7 K 8.01 4.03 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 8 E 8.28 4.02 0.00 2.32 2.23 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 2.49 2.67 0.00 9 L 8.28 4.16 0.00 1.79 1.86 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.96 4.10 0.00 3.90 4.04 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 11 V 8.33 3.60 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 0.97 0.00 0.00 1.01 0.00 0.00 12 A 8.63 4.09 1.46 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 0.00 0.00 0.00 13 G 8.37 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.94 0.00 1.86 2.01 0.00 3.32 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 15 E 8.15 3.92 0.00 2.16 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 2.30 2.34 0.00 16 I 7.92 3.76 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.88 0.00 0.00 17 V 7.89 3.77 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 0.85 0.00 0.00 1.04 0.00 0.00 18 T 7.51 4.39 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 1.27 0.00 0.00 19 L 7.27 4.07 0.00 1.74 1.79 0.79 0.96 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 20 P 0.00 4.37 0.00 2.17 2.17 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 21 N 8.58 4.69 0.00 2.92 3.03 0.00 0.00 6.99 8.15 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 22 L 7.54 4.54 0.00 1.59 1.59 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.90 4.76 0.00 3.00 2.96 0.00 0.00 6.85 7.69 0.00 0.00 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 8.54 4.34 0.00 2.69 2.76 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 25 P 0.00 4.25 0.00 2.24 2.07 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 26 Q 8.85 4.06 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 27 K 8.12 4.06 0.00 2.02 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.61 7.81 28 K 8.51 3.93 0.00 1.67 1.79 0.00 1.46 0.00 0.00 1.38 0.00 0.00 2.32 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.62 0.91 7.81 29 A 7.99 3.82 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 30 F 8.41 3.96 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 31 I 8.50 3.89 2.26 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.26 1.08 0.00 0.00 32 F 8.84 4.21 0.00 3.27 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 33 S 8.49 4.17 0.00 4.05 3.92 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 34 L 8.45 3.98 0.00 1.90 2.07 0.97 1.18 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 35 W 8.18 4.14 0.00 3.42 3.18 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 36 D 8.23 4.62 0.00 2.86 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 37 D 8.01 4.56 0.00 2.63 2.40 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 38 P 0.00 4.06 0.00 1.59 1.69 0.00 3.33 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 39 S 7.70 3.58 0.00 3.64 4.16 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 40 Q 7.67 4.64 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 41 S 7.60 4.09 0.00 4.03 4.16 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 42 A 8.07 4.01 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 N 7.99 4.34 0.00 3.04 2.91 0.00 0.00 7.15 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 44 L 8.14 4.17 0.00 1.94 2.00 1.00 0.47 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 45 L 8.16 3.81 0.00 1.81 1.83 0.90 1.13 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 46 A 7.79 3.95 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 E 8.43 3.91 0.00 2.39 2.39 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 2.46 2.58 0.00 48 A 8.24 3.34 0.51 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 49 K 8.16 3.83 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.55 7.81 50 K 8.30 3.84 0.00 1.88 2.04 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 51 L 8.09 3.97 0.00 2.00 1.81 1.01 0.65 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 52 N 7.98 4.32 0.00 2.77 2.99 0.00 0.00 7.18 8.05 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 53 D 8.18 4.43 0.00 2.86 2.78 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 54 A 8.01 4.07 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 Q 7.69 4.39 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 56 A 7.09 4.19 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 57 P 0.00 4.15 0.00 2.04 2.05 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 58 K 8.58 4.18 0.00 1.82 1.77 0.00 1.49 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81