NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4688 8.1633 120.3534 55.6675 34.3456 177.6274 2 I 3.6264 7.6735 119.3450 63.1253 37.0228 176.3663 3 L 3.9989 8.1667 121.0710 58.2432 42.1736 178.3612 4 G 3.9931 8.4503 104.6885 48.1761 0.0000 174.7321 5 A 4.0755 7.9023 123.3184 54.7789 18.3770 179.8166 6 V 3.5328 8.1633 116.5402 66.2843 31.6180 178.1279 7 F 4.2985 8.5516 117.6844 60.9285 38.8238 176.6031 8 Y 4.1292 10.6415 118.7513 61.1369 38.6003 178.1152 9 I 3.7597 8.7583 120.6477 64.9200 37.3031 178.6256 10 V 3.7397 8.4477 119.0509 65.6892 31.3662 177.9584 11 F 4.3744 8.4247 120.8764 61.2615 39.0737 177.3617 12 I 3.6666 8.3600 119.2211 66.0220 36.8991 179.0890 13 A 3.9440 7.9904 118.3263 53.5784 19.0168 178.6818 14 L 3.9344 8.8236 117.3176 58.2301 42.3087 180.1046 15 F 3.9050 8.4061 117.1111 60.6077 38.8471 177.2396 16 F 4.6573 9.4663 121.6989 62.2970 39.0259 176.6385 17 G 3.6477 9.5719 103.9352 47.7055 0.0000 175.4054 18 I 3.5818 7.4575 119.6626 64.4053 37.8115 176.8679 19 A 4.1096 8.8953 122.0472 53.8832 18.0965 179.4711 20 V 3.4943 8.0127 114.7095 66.1183 32.0582 178.4988 21 G 3.8802 8.4322 104.7353 48.7730 0.0000 174.8078 22 I 3.9491 8.5271 120.8504 62.2232 37.5838 177.9731 23 I 3.6302 7.6011 121.1034 64.8008 36.7260 177.5349 24 F 4.2869 7.6831 117.3758 61.1284 38.9241 177.6314 25 A 3.8548 8.2349 119.6301 55.7183 18.2266 179.7518 26 I 3.8233 7.3745 116.4259 64.3921 37.3337 178.1513 27 K 4.1220 9.3229 120.2213 58.3424 32.7896 177.9506 28 S 4.9487 9.1180 117.4267 57.3871 60.5951 174.4358 29 I 4.5795 7.0537 115.3315 61.3012 39.7514 176.4565 30 K 3.9898 8.6135 119.8088 57.2940 29.1760 174.3286 31 L 4.5847 8.5354 117.8472 55.3838 44.8997 177.2534 32 I 4.0321 7.7200 122.1789 61.3661 37.2476 175.3866 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 8.16 4.47 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 I 7.67 3.63 1.88 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 1.53 0.43 0.91 0.00 0.00 3 L 8.17 4.00 0.00 1.81 1.79 0.69 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.45 3.99 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 0.00 0.00 0.00 5 A 7.90 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.53 2.05 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 0.93 0.00 0.00 0.94 0.00 0.00 7 F 8.55 4.30 0.00 3.53 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 8 Y 10.64 4.13 0.00 3.23 3.33 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 0.00 0.00 0.00 9 I 8.76 3.76 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 1.00 0.00 0.00 10 V 8.45 3.74 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.05 0.00 0.00 11 F 8.42 4.37 0.00 3.36 2.95 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 0.00 0.00 0.00 0.00 12 I 8.36 3.67 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.17 0.77 0.00 0.00 13 A 7.99 3.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 3.93 0.00 2.27 1.88 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.41 3.90 0.00 3.47 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 9.47 4.66 0.00 3.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.57 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 0.00 0.00 0.00 18 I 7.46 3.58 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.37 0.88 0.00 0.00 19 A 8.90 4.11 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.01 3.49 2.24 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 1.10 0.00 0.00 0.88 0.00 0.00 21 G 8.43 3.88 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 0.00 0.00 0.00 22 I 8.53 3.95 1.90 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 1.53 1.20 1.05 0.00 0.00 23 I 7.60 3.63 0.94 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.65 0.00 0.00 24 F 7.68 4.29 0.00 3.37 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 25 A 8.23 3.85 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 3.82 2.25 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 1.54 1.25 0.92 0.00 0.00 27 K 9.32 4.12 0.00 2.07 1.94 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.65 1.41 7.81 28 S 9.12 4.95 0.00 3.93 3.97 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 29 I 7.05 4.58 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 0.66 0.92 0.00 0.00 30 K 8.61 3.99 0.00 1.85 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.41 7.81 31 L 8.54 4.58 0.00 1.90 1.65 0.93 0.78 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 32 I 7.72 4.03 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.89 0.00 0.00