NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4243 8.3049 120.3174 55.0679 32.8056 174.7374 2 R 3.8541 8.8851 123.9964 56.9523 30.1884 175.2023 3 P 4.6011 0.0000 0.0000 62.0239 33.7034 176.0603 4 Y 4.1514 9.2389 121.3974 58.4068 40.5209 174.4475 5 S 5.2920 9.0842 111.4772 57.7054 67.2557 175.2778 6 C 4.3766 9.3441 122.7827 60.9357 32.0888 174.3196 7 S 3.9047 8.2591 110.6589 59.7819 61.3802 172.1333 8 V 4.3706 8.3681 117.8678 64.7101 34.8651 176.0976 9 C 4.2363 8.1045 115.3487 62.2872 28.3920 174.6924 10 G 4.2298 8.2931 107.5091 45.6339 0.0000 173.2734 11 K 4.6198 8.2543 120.4401 54.3582 35.3344 175.1654 12 R 4.8185 7.1145 115.7078 55.0476 32.4043 175.1093 13 F 4.8585 8.6071 117.2837 57.0304 43.9067 174.9130 14 S 4.7200 9.0380 118.0747 58.5161 63.2208 174.7634 15 L 4.5718 7.5883 121.6206 52.1331 43.1615 176.5207 16 K 3.3923 8.4335 124.4912 59.8702 31.9080 178.5513 17 H 4.0977 7.7975 115.4367 58.7768 28.4383 177.2749 18 Q 4.1515 7.8495 119.5798 59.4348 29.1286 177.6579 19 M 3.5209 7.9721 119.0638 58.5586 31.8678 177.7044 20 E 3.5679 8.5419 119.9492 59.5948 29.8767 178.8891 21 T 3.9352 8.7213 116.6013 66.2776 68.3385 176.1811 22 H 4.2441 8.3476 121.0542 59.0948 29.1720 176.5274 23 Y 3.5999 7.9708 118.1828 60.8600 37.4694 178.2868 24 R 3.9015 7.2716 116.4951 58.2011 30.2077 177.2070 25 V 4.0416 7.6456 116.7898 64.6050 31.7942 176.0994 26 H 4.8021 8.7641 115.0609 56.1756 28.9191 176.6120 27 T 4.2823 7.1566 113.6836 61.8518 69.6795 175.0248 28 G 3.4985 8.9580 109.5967 45.5893 0.0000 173.1763 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 M 8.30 4.42 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 R 8.89 3.85 0.00 1.86 2.03 0.00 3.37 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 3 P 0.00 4.60 0.00 2.22 2.07 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 4 Y 9.24 4.15 0.00 3.21 3.11 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 0.00 0.00 0.00 5 S 9.08 5.29 0.00 3.88 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 6 C 9.34 4.38 0.00 3.42 3.26 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 7 S 8.26 3.90 0.00 4.32 4.12 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 0.00 0.00 0.00 8 V 8.37 4.37 1.95 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 0.36 0.00 0.00 0.74 0.00 0.00 9 C 8.10 4.24 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.25 4.62 0.00 2.06 1.37 0.00 1.53 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.47 7.81 12 R 7.11 4.82 0.00 1.56 1.64 0.00 2.87 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.28 0.00 13 F 8.61 4.86 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.04 4.72 0.00 3.91 3.93 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 15 L 7.59 4.57 0.00 1.72 1.64 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.43 3.39 0.00 1.52 1.41 0.00 1.37 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.42 7.81 17 H 7.80 4.10 0.00 3.11 3.27 0.00 5.63 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 18 Q 7.85 4.15 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 5.36 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 19 M 7.97 3.52 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.62 0.00 20 E 8.54 3.57 0.00 1.78 2.04 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 2.20 2.23 0.00 21 T 8.72 3.94 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 22 H 8.35 4.24 0.00 3.03 3.25 0.00 5.80 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 23 Y 7.97 3.60 0.00 3.21 3.07 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 24 R 7.27 3.90 0.00 1.86 1.98 0.00 3.22 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 V 7.65 4.04 1.88 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 0.93 0.00 0.00 0.80 0.00 0.00 26 H 8.76 4.80 0.00 3.09 3.15 0.00 5.70 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.16 4.28 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 1.21 0.00 0.00 28 G 8.96 3.50 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 0.00