NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2762 8.2993 121.7918 55.6792 32.3213 174.9709 2 P 4.2931 0.0000 0.0000 60.7161 32.4949 175.0473 3 Y 4.2094 7.9944 121.7051 58.8569 40.5666 177.5308 4 T 4.6455 6.1361 106.1054 60.4152 69.5014 173.1771 5 A 4.0586 8.0502 126.2751 53.1997 19.9641 179.1730 6 R 4.4247 8.4737 118.4166 56.1736 27.8039 175.6360 7 I 3.9727 7.4116 118.9604 62.8862 40.5915 176.3759 8 K 4.3454 8.3093 115.9122 56.7488 34.2664 175.4958 9 G 4.3248 8.3966 103.8546 46.7264 0.0000 175.2236 10 R 3.8136 7.7553 121.5949 56.7366 30.3282 174.5519 11 T 4.2632 8.0864 115.5406 60.8945 68.1679 170.7228 12 F 4.5470 8.3439 123.4340 55.7601 42.8168 176.1190 13 S 4.3052 8.7859 121.5132 61.2860 63.3233 174.2785 14 N 5.0169 7.7923 115.9616 50.5129 42.6474 175.0643 15 E 3.4344 8.6047 121.6282 58.8864 28.2765 179.3347 16 K 3.9501 7.9385 118.3796 59.4091 32.0859 178.7922 17 E 4.2702 8.0547 118.6531 59.0082 29.3768 178.7833 18 L 3.3239 7.5998 120.0060 57.9103 41.9768 178.7570 19 R 4.0998 7.7397 117.6833 59.7165 29.8650 178.4740 20 D 4.4233 7.3491 114.7879 57.6546 40.7214 178.7021 21 F 4.4914 8.3036 120.8804 60.9888 39.4254 176.9710 22 L 4.2988 8.8004 121.3335 57.7844 41.6343 178.3186 23 E 3.9648 8.2090 119.7010 58.5638 29.8284 177.2061 24 T 4.4003 7.3729 112.7645 62.1619 67.5285 174.2173 25 F 4.5940 8.2472 122.6618 59.4839 41.4646 175.9808 26 T 4.5871 7.8637 107.6816 60.9690 68.8910 173.5288 27 G 3.8935 8.3389 107.5875 47.1019 0.0000 174.3813 28 R 4.0270 7.6558 124.7756 56.3036 29.9729 175.8018 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 K 8.30 4.28 0.00 1.75 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 2 P 0.00 4.29 0.00 2.34 2.06 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 3 Y 7.99 4.21 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.14 4.65 4.14 0.00 0.00 0.00 0.00 0.00 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 5 A 8.05 4.06 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 4.42 0.00 2.02 2.06 0.00 3.03 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 7 I 7.41 3.97 1.28 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.36 1.25 0.00 0.00 8 K 8.31 4.35 0.00 1.86 1.94 0.00 2.08 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 9 G 8.40 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 3.81 0.00 1.91 2.18 0.00 3.09 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 11 T 8.09 4.26 4.21 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 0.00 0.00 0.00 1.12 0.00 0.00 12 F 8.34 4.55 0.00 3.42 3.10 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 13 S 8.79 4.31 0.00 3.87 3.94 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 14 N 7.79 5.02 0.00 2.96 2.63 0.00 0.00 6.81 7.67 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 15 E 8.60 3.43 0.00 1.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 16 K 7.94 3.95 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.46 7.81 17 E 8.05 4.27 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 18 L 7.60 3.32 0.00 1.23 1.54 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.74 4.10 0.00 2.11 1.97 0.00 3.33 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 20 D 7.35 4.42 0.00 2.81 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 21 F 8.30 4.49 0.00 3.00 2.88 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 0.00 0.00 0.00 0.00 22 L 8.80 4.30 0.00 2.00 1.64 1.21 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.21 3.96 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 24 T 7.37 4.40 4.20 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 0.00 0.00 0.00 0.99 0.00 0.00 25 F 8.25 4.59 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.86 4.59 4.21 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 0.00 0.00 0.00 1.08 0.00 0.00 27 G 8.34 3.89 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 0.00 0.00 0.00 28 R 7.66 4.03 0.00 1.76 1.91 0.00 3.46 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00