NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.0463 8.1593 115.1646 61.9990 68.7380 173.9149 2 T 4.0133 8.1525 117.0108 61.2361 67.4148 171.7884 3 L 3.2984 7.5573 121.7840 53.6996 42.6654 175.7490 4 Y 3.2953 8.3221 119.0428 60.6634 37.3705 172.3325 5 T 3.5043 7.2650 111.1509 62.4198 65.3568 171.6810 6 S 4.2190 8.3065 120.5973 61.4499 63.6917 177.3999 7 L 4.1080 7.9605 121.0543 58.5018 42.3735 176.4406 8 H 4.3202 8.1905 120.3327 56.3845 27.8534 173.6473 9 G 4.3636 8.4485 115.9349 45.9383 0.0000 173.6116 10 Y 4.7075 7.9129 117.5918 56.8781 37.8739 178.0742 11 F 4.1964 8.8862 123.5317 61.6680 39.6668 176.9858 12 V 3.3631 8.2044 118.1445 65.9032 31.2205 177.0017 13 F 4.0942 8.4740 117.2290 58.9688 38.9579 174.5175 14 G 3.7090 7.8771 109.8900 45.1560 0.0000 171.1320 15 P 4.2962 0.0000 0.0000 63.8970 32.0435 176.9779 16 T 4.1940 8.2855 121.1358 64.2265 68.6652 176.0527 17 G 3.9196 7.5828 108.3502 47.0697 0.0000 174.7617 18 C 4.1378 8.1941 120.1225 61.8083 32.7875 174.7983 19 N 4.6774 8.1456 113.3937 54.6476 35.6750 175.9876 20 L 3.2539 7.6161 122.0508 57.8568 42.0019 178.7073 21 E 3.9819 8.0372 117.2091 59.3745 29.3230 179.2158 22 G 3.5054 7.9078 105.1187 46.9112 0.0000 173.4021 23 F 4.3836 8.0868 118.8501 58.5960 40.9557 178.4253 24 F 4.5346 7.1825 118.4099 60.3741 39.5372 177.7428 25 A 3.9817 8.7844 124.4114 55.4789 17.6479 179.0294 26 T 4.0463 7.1644 105.0084 64.3299 69.9557 175.4935 27 L 4.3799 8.4933 126.2587 50.9063 39.7077 177.7478 28 G 4.9182 7.3979 119.0358 47.1789 0.0000 172.2646 29 G 3.5733 8.4305 111.0739 46.5517 0.0000 172.8808 30 E 4.0334 8.1949 120.6591 55.2899 30.9073 173.9832 31 I 4.1313 8.6665 115.8088 61.0367 37.6456 175.2569 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 T 8.16 4.05 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 2 T 8.15 4.01 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 1.26 0.00 0.00 3 L 7.56 3.30 0.00 1.47 1.49 -0.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.32 3.30 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.26 3.50 3.67 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 0.00 0.00 0.00 0.62 0.00 0.00 6 S 8.31 4.22 0.00 3.95 4.16 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 0.00 0.00 0.00 0.00 7 L 7.96 4.11 0.00 1.74 1.90 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.19 4.32 0.00 3.13 3.47 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.45 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 4.71 0.00 3.07 2.89 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 11 F 8.89 4.20 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.36 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 0.59 0.00 0.00 1.07 0.00 0.00 13 F 8.47 4.09 0.00 3.23 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 14 G 7.88 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.02 1.92 0.00 3.72 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 1.89 2.17 0.00 16 T 8.29 4.19 4.29 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 1.25 0.00 0.00 17 G 7.58 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.19 4.14 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.15 4.68 0.00 2.66 2.73 0.00 0.00 7.27 6.70 0.00 0.00 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 L 7.62 3.25 0.00 1.80 1.63 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.04 3.98 0.00 2.23 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 0.00 2.33 2.40 0.00 22 G 7.91 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.09 4.38 0.00 2.75 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.18 4.53 0.00 3.01 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 25 A 8.78 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.16 4.05 4.16 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 0.00 0.00 0.00 1.12 0.00 0.00 27 L 8.49 4.38 0.00 1.93 1.79 0.83 1.14 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 28 G 7.40 4.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.43 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.19 4.03 0.00 2.13 2.00 0.00 0.00 0.00 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 2.28 0.00 31 I 8.67 4.13 1.85 0.00 0.00 0.83 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 0.83 0.89 0.00 0.00