NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4541 8.3293 120.8360 58.4375 32.6638 173.5617 2 P 4.3449 0.0000 0.0000 60.4077 32.0244 174.2593 3 S 4.3455 8.3326 113.9846 57.4169 64.8908 175.0189 4 Q 3.9349 8.4159 124.6363 56.1107 29.2404 175.4596 5 E 4.0103 8.2169 123.8992 53.4557 31.4973 173.2748 6 P 4.4304 0.0000 0.0000 62.3008 32.5428 177.6913 7 M 4.1263 8.8492 121.6503 58.9135 31.9850 178.2056 8 S 4.3301 8.1467 110.7763 60.0722 62.6720 174.7098 9 I 4.1661 7.7222 120.8911 62.7736 38.3913 175.8212 10 Y 4.3354 7.8705 114.2332 57.5614 38.9259 176.3681 11 V 3.9152 7.4957 119.8273 62.1150 31.9192 175.8911 12 Y 4.2110 8.8864 118.5758 58.5172 37.8071 175.4966 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 C 8.33 4.45 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.34 0.00 2.26 2.02 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 3 S 8.33 4.35 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.42 3.93 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 5 E 8.22 4.01 0.00 1.57 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 6 P 0.00 4.43 0.00 2.29 2.03 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 7 M 8.85 4.13 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.65 0.00 8 S 8.15 4.33 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.72 4.17 1.93 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 1.47 0.75 0.40 0.00 0.00 10 Y 7.87 4.34 0.00 3.12 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 11 V 7.50 3.92 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 0.73 0.00 0.00 1.02 0.00 0.00 12 Y 8.89 4.21 0.00 2.86 2.94 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 0.00 0.00 0.00