NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 S 4.4450 8.1927 115.4121 58.1108 64.1792 174.3050 102 Q 3.6736 8.7324 126.7233 58.2337 29.1241 174.2993 103 E 4.4704 8.4169 119.6666 59.5196 30.0235 178.6784 104 K 4.3563 8.0517 120.2300 58.7179 31.8805 178.4075 105 F 4.0749 7.9378 120.8948 61.1360 38.9704 176.9862 106 F 4.2111 7.6655 116.3894 59.8671 38.5045 177.1677 107 Q 4.3354 7.8681 117.3667 58.2123 29.0649 177.4051 108 E 3.9567 8.8571 120.3062 59.4262 29.5894 178.9211 109 L 3.7836 7.1575 119.1031 57.3699 42.2447 177.2914 110 F 4.2157 7.9570 118.5945 58.9753 40.0841 175.8995 111 D 4.5754 8.0671 119.8551 57.1809 41.1953 176.1275 112 S 4.1113 7.4971 117.8494 58.7833 64.0467 173.6194 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 101 S 8.19 4.44 0.00 4.05 4.10 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 0.00 0.00 0.00 0.00 102 Q 8.73 3.67 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.15 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 103 E 8.42 4.47 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 104 K 8.05 4.36 0.00 1.86 2.00 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.39 7.81 105 F 7.94 4.07 0.00 3.09 2.85 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 0.00 106 F 7.67 4.21 0.00 3.21 2.99 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 0.00 0.00 0.00 107 Q 7.87 4.34 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 108 E 8.86 3.96 0.00 2.04 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 2.31 2.34 0.00 109 L 7.16 3.78 0.00 0.98 1.45 0.77 0.11 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 0.00 110 F 7.96 4.22 0.00 3.13 3.06 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 0.00 0.00 0.00 0.00 111 D 8.07 4.58 0.00 2.84 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 0.00 112 S 7.50 4.11 0.00 3.92 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00