NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7190 8.2185 120.3266 53.0565 41.6654 177.3191 2 A 3.8169 8.1090 122.9744 54.8243 18.4603 175.0030 3 E 4.3556 8.3262 112.1075 57.3238 31.0883 175.0003 4 F 4.9938 7.6568 121.4151 56.5912 39.5679 175.0044 5 R 4.0037 7.9046 120.5715 57.4736 30.7751 175.6015 6 H 4.7110 8.5199 117.9671 56.0383 31.2961 174.9762 7 D 4.5220 8.1086 120.5726 56.7161 40.7826 177.8458 8 S 4.2607 8.1563 114.6273 60.6039 63.3052 174.3741 9 G 4.2738 7.9556 108.6109 44.8425 0.0000 172.4736 10 Y 4.5466 7.7909 117.6812 55.5191 42.3476 173.9698 11 E 4.5541 8.0220 126.2566 55.2245 31.0657 176.8272 12 V 4.1694 8.6650 121.0003 62.6570 31.4221 177.1571 13 H 4.2614 8.1848 119.9633 58.8257 28.6725 175.3451 14 H 4.8974 7.7818 117.8312 54.0086 31.0951 174.3481 15 Q 4.1180 8.3917 125.7252 56.1067 29.2062 176.5896 16 K 4.1542 8.5989 120.5876 56.7316 32.2073 176.8009 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 4.72 0.00 2.89 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 2 A 8.11 3.82 1.34 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 0.00 0.00 0.00 3 E 8.33 4.36 0.00 2.02 2.05 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 2.33 2.38 0.00 4 F 7.66 4.99 0.00 2.77 2.97 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 5 R 7.90 4.00 0.00 1.73 1.74 0.00 3.47 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 6 H 8.52 4.71 0.00 3.06 3.12 0.00 5.67 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 7 D 8.11 4.52 0.00 2.60 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 8 S 8.16 4.26 0.00 3.82 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 0.00 9 G 7.96 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 10 Y 7.79 4.55 0.00 2.91 2.89 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 11 E 8.02 4.55 0.00 1.82 1.67 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 2.29 2.07 0.00 12 V 8.67 4.17 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 0.73 0.00 0.00 1.00 0.00 0.00 13 H 8.18 4.26 0.00 3.11 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.78 4.90 0.00 2.99 3.09 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.39 4.12 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 16 K 8.60 4.15 0.00 1.69 1.58 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.91 1.49 7.81