NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5774 8.2227 120.3138 53.0036 41.1694 175.7119 2 H 3.7589 8.7933 117.8070 58.7296 29.4886 174.9418 3 Y 3.7938 8.8748 122.0784 60.9396 39.1600 177.2644 4 N 4.5151 8.9593 117.6961 56.2906 38.6148 176.2841 5 C 4.0847 8.3912 120.2324 60.0431 39.0061 175.9902 6 V 3.9595 7.7307 120.7496 65.5556 30.9212 178.1784 7 S 3.9765 7.9569 114.4798 61.6938 62.7374 176.5135 8 S 4.3242 8.1898 116.4458 59.6576 62.6268 175.2807 9 G 3.8540 7.9124 109.9774 44.8529 0.0000 173.2732 10 G 4.0731 8.3990 108.2543 44.5711 0.0000 172.4889 11 Q 4.8495 8.7437 120.0719 54.2661 32.3395 173.4901 12 C 4.9758 8.7960 123.8201 56.4800 39.8395 173.0826 13 L 4.8445 9.0240 123.4552 53.6134 45.4062 177.2166 14 Y 4.0979 9.0591 121.1396 60.4837 38.4763 176.1357 15 S 4.5282 7.8602 112.7698 56.9771 65.3638 173.3047 16 A 4.2171 8.2513 122.4487 52.4278 18.7171 178.1109 17 C 4.4744 8.4038 117.5466 55.8688 35.4650 172.4665 18 P 4.4572 0.0000 0.0000 61.7856 31.8554 175.2523 19 I 3.4443 7.8451 118.4301 62.7212 37.9072 175.3639 20 F 4.2430 8.5048 124.0063 58.1003 35.9944 174.2332 21 T 5.0032 7.7162 109.4785 59.8502 72.0266 172.7062 22 K 4.7740 8.2699 120.0200 54.7564 36.9492 175.2066 23 I 4.0931 8.2440 121.5922 61.6015 37.3577 177.4645 24 E 4.6419 9.4563 126.3081 53.5871 31.3859 173.4815 25 G 3.6973 8.5102 108.7008 44.3194 0.0000 169.8886 26 T 5.0759 7.8774 107.3850 60.0745 72.1013 173.3126 27 C 4.5925 8.2715 117.6879 56.5562 43.6960 172.9546 28 Y 3.9623 8.5795 116.2420 60.2586 33.8938 170.2193 29 R 3.6914 8.9559 111.5186 57.3467 28.3550 178.3193 30 G 3.9595 8.4365 103.9950 45.6821 0.0000 174.8648 31 K 4.2603 7.8670 117.6183 56.9263 32.7631 175.9001 32 A 4.6568 7.8113 120.3222 49.8430 23.1542 174.8412 33 K 4.5591 8.6978 118.5063 55.1383 34.7754 175.3174 34 C 4.9334 8.7580 124.6352 55.7743 45.3885 171.4242 35 C 5.4531 9.2770 124.6779 55.2258 42.3802 174.3443 36 K 4.2361 8.7729 122.3457 56.6927 32.5470 176.1804 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 D 8.22 4.58 0.00 2.96 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 2 H 8.79 3.76 0.00 3.23 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.87 3.79 0.00 3.18 3.08 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 0.00 0.00 0.00 0.00 4 N 8.96 4.52 0.00 2.91 2.88 0.00 0.00 6.72 8.47 0.00 0.00 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 C 8.39 4.08 0.00 2.98 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 6 V 7.73 3.96 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 1.23 0.00 0.00 0.91 0.00 0.00 7 S 7.96 3.98 0.00 3.88 3.83 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 8 S 8.19 4.32 0.00 4.03 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 9 G 7.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.40 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.74 4.85 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 12 C 8.80 4.98 0.00 2.70 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 0.00 0.00 0.00 0.00 13 L 9.02 4.84 0.00 1.47 1.53 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.06 4.10 0.00 2.97 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 15 S 7.86 4.53 0.00 4.01 3.97 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 16 A 8.25 4.22 1.26 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 0.00 0.00 0.00 17 C 8.40 4.47 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.21 2.20 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 19 I 7.85 3.44 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.75 0.00 0.00 20 F 8.50 4.24 0.00 3.33 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 21 T 7.72 5.00 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 1.26 0.00 0.00 22 K 8.27 4.77 0.00 1.79 1.90 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.50 7.81 23 I 8.24 4.09 1.86 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 1.32 0.52 0.89 0.00 0.00 24 E 9.46 4.64 0.00 1.73 1.82 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 2.24 2.41 0.00 25 G 8.51 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 26 T 7.88 5.08 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 1.18 0.00 0.00 27 C 8.27 4.59 0.00 2.12 1.74 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 28 Y 8.58 3.96 0.00 3.10 2.91 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 0.00 29 R 8.96 3.69 0.00 1.99 2.03 0.00 3.45 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.87 4.26 0.00 2.06 2.08 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.47 7.81 32 A 7.81 4.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.56 0.00 1.67 1.66 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.49 7.81 34 C 8.76 4.93 0.00 2.89 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 35 C 9.28 5.45 0.00 2.83 2.95 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 36 K 8.77 4.24 0.00 1.66 1.61 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.35 7.81