NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4675 8.2931 118.1945 54.5680 33.2360 175.3990 2 G 4.0098 7.7313 106.7976 41.3661 0.0000 170.1019 3 I 4.2484 8.2381 114.8480 60.6065 40.4805 169.6013 4 N 4.3710 8.3890 119.4424 54.7284 38.3177 173.8915 5 T 3.9990 7.7797 108.1730 62.0060 69.9009 172.8142 6 R 4.6884 9.3184 130.0550 56.7546 32.1142 174.0677 7 E 3.6774 8.2800 116.5850 56.9408 30.8607 175.4673 8 L 4.1833 8.3488 111.1109 54.0524 41.0068 177.8088 9 F 4.5958 7.9095 116.9742 60.8269 37.9390 175.9033 10 L 4.1287 7.3268 120.4083 58.2501 41.9665 178.3025 11 N 4.2477 7.7546 115.9828 56.5799 38.5294 176.7980 12 F 4.5213 7.7842 119.2731 60.2172 39.0313 177.6065 13 T 4.1669 9.0215 116.2801 67.2920 68.3250 175.1161 14 I 4.0732 7.8762 120.5517 62.4310 38.0199 177.2726 15 V 3.2193 8.0210 118.8009 66.3170 31.4761 178.4114 16 L 4.1152 8.4903 118.9185 57.5654 41.9080 179.1181 17 I 3.9391 7.7250 119.0898 63.7717 37.0233 178.6416 18 T 4.0358 8.6999 118.3563 66.1758 68.3158 176.9152 19 V 3.6320 7.3955 118.7626 66.0140 31.8936 177.7135 20 I 4.0016 7.6196 112.2351 64.0768 37.3274 177.4679 21 L 4.0108 7.8134 122.0531 58.4228 41.9248 178.8353 22 M 4.2324 8.3047 117.2827 57.1909 31.7629 178.3346 23 W 4.3898 8.6564 128.9237 59.1530 30.9415 176.7827 24 L 4.3296 7.9362 116.9097 55.6574 41.7240 177.5496 25 L 4.4920 8.1536 120.2909 55.0055 41.8217 178.0331 26 V 4.0679 7.5412 117.5488 63.6287 32.3042 177.3302 27 R 3.9316 8.0439 114.1534 57.7969 29.1881 176.1031 28 S 4.2506 7.6140 110.4475 56.8667 65.6134 173.8360 29 Y 5.6036 7.9153 126.2272 55.2773 38.9935 173.6578 30 Q 4.7584 7.2350 116.1457 56.7764 32.2043 174.2050 31 Y 4.4330 8.5904 117.9740 57.3814 38.1864 174.8293 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 8.29 4.47 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 G 7.73 4.01 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 0.00 0.00 0.00 3 I 8.24 4.25 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.92 0.00 0.00 4 N 8.39 4.37 0.00 2.87 2.88 0.00 0.00 6.91 7.72 0.00 0.00 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 T 7.78 4.00 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 1.22 0.00 0.00 6 R 9.32 4.69 0.00 2.39 2.34 0.00 3.20 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.52 0.00 7 E 8.28 3.68 0.00 2.33 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 2.35 2.68 0.00 8 L 8.35 4.18 0.00 1.34 1.27 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.91 4.60 0.00 3.35 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.33 4.13 0.00 1.50 1.41 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.75 4.25 0.00 2.18 2.57 0.00 0.00 6.61 7.95 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 12 F 7.78 4.52 0.00 3.33 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 13 T 9.02 4.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 14 I 7.88 4.07 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.95 0.00 0.00 15 V 8.02 3.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.91 0.00 0.00 16 L 8.49 4.12 0.00 1.86 1.71 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.72 3.94 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.96 0.00 0.00 18 T 8.70 4.04 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 V 7.40 3.63 2.20 0.00 0.00 0.00 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 0.98 0.00 0.00 20 I 7.62 4.00 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.93 0.00 0.00 21 L 7.81 4.01 0.00 2.00 2.03 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.30 4.23 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 23 W 8.66 4.39 0.00 3.31 3.47 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 0.00 0.00 0.00 0.00 24 L 7.94 4.33 0.00 1.65 1.52 1.13 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.15 4.49 0.00 1.87 2.03 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.54 4.07 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 1.17 0.00 0.00 0.92 0.00 0.00 27 R 8.04 3.93 0.00 1.73 1.91 0.00 3.01 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.53 0.00 28 S 7.61 4.25 0.00 3.68 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 5.60 0.00 3.07 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 30 Q 7.24 4.76 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 31 Y 8.59 4.43 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00