NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3706 8.1633 120.3420 55.1610 34.6226 177.2608 2 E 3.6514 8.0369 117.8955 58.2987 30.0778 176.4549 3 T 4.0709 8.0975 115.6146 67.0622 68.9245 175.5888 4 I 3.6837 7.7093 119.4473 64.5994 37.6366 177.9035 5 T 3.9657 7.2501 115.7617 66.4631 68.1977 176.5009 6 Y 4.3786 8.0788 119.3220 61.1652 38.0587 178.2011 7 V 3.7951 8.3630 119.2971 65.7693 31.3887 177.5747 8 F 4.4612 8.2855 120.5917 61.2249 39.3603 176.9029 9 I 3.3012 7.7592 118.8405 64.4798 36.9817 178.2528 10 F 3.9414 8.3151 120.7120 61.3579 39.2593 177.0937 11 A 3.9491 8.4053 120.3776 55.2413 17.9429 179.4758 12 C 3.9300 7.9480 115.7304 62.7652 28.1962 176.0710 13 I 3.3593 7.1692 121.3540 64.4411 36.1711 178.6104 14 I 3.2465 7.0987 120.1101 63.9312 36.7632 178.3144 15 A 4.0736 7.6724 121.6406 54.7065 18.3875 179.3519 16 L 4.2935 8.2632 119.1124 57.9145 41.9424 179.3109 17 F 4.5288 8.1432 118.3552 60.5422 38.8215 177.0182 18 F 4.3664 8.1204 119.6846 61.7092 39.0684 177.0127 19 F 4.3316 8.3634 116.8524 60.8045 38.6063 177.7026 20 A 4.0985 8.1858 118.9523 54.6577 18.1378 178.9035 21 I 3.8213 7.1111 117.8187 63.1504 37.6249 176.8385 22 F 4.6469 7.3912 116.7568 57.3854 38.6727 177.0690 23 F 4.5848 7.4712 118.4641 56.1655 40.5495 174.6526 24 R 4.3671 8.0018 118.7311 55.0367 31.5130 174.3970 25 E 4.4769 8.4119 116.4688 53.8436 30.3224 173.9782 26 P 4.2232 0.0000 0.0000 62.5595 31.4896 175.3959 27 P 4.5430 0.0000 0.0000 61.8703 29.7548 175.4568 28 R 4.0816 7.8227 124.9377 56.4818 31.0268 176.6464 29 I 3.8833 8.3741 125.3186 62.1432 37.6308 177.0185 30 T 4.2237 8.4169 116.7572 60.8392 69.1397 170.3200 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 4.37 0.00 2.02 2.09 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 2.51 2.50 0.00 2 E 8.04 3.65 0.00 2.18 1.72 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 0.00 2.38 2.40 0.00 3 T 8.10 4.07 4.26 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 1.26 0.00 0.00 4 I 7.71 3.68 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.83 0.00 0.00 5 T 7.25 3.97 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 1.14 0.00 0.00 6 Y 8.08 4.38 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.36 3.80 2.18 0.00 0.00 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 1.03 0.00 0.00 8 F 8.29 4.46 0.00 3.14 3.23 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 9 I 7.76 3.30 1.96 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 1.42 0.75 0.89 0.00 0.00 10 F 8.32 3.94 0.00 3.18 3.27 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 0.00 11 A 8.41 3.95 1.49 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 0.00 0.00 0.00 12 C 7.95 3.93 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.17 3.36 1.30 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 0.17 0.00 0.00 14 I 7.10 3.25 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.58 0.82 0.00 0.00 15 A 7.67 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 4.29 0.00 1.85 1.88 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.14 4.53 0.00 3.30 2.99 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 18 F 8.12 4.37 0.00 3.12 3.16 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 19 F 8.36 4.33 0.00 3.26 3.12 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 20 A 8.19 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.82 1.22 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 1.21 0.50 -0.23 0.00 0.00 22 F 7.39 4.65 0.00 2.27 2.46 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 23 F 7.47 4.58 0.00 3.33 3.12 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 24 R 8.00 4.37 0.00 1.90 2.14 0.00 2.97 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 25 E 8.41 4.48 0.00 2.09 2.02 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 2.21 2.27 0.00 26 P 0.00 4.22 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 27 P 0.00 4.54 0.00 2.18 2.11 0.00 3.74 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 1.96 1.95 0.00 28 R 7.82 4.08 0.00 1.82 1.90 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 29 I 8.37 3.88 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.33 0.90 0.00 0.00 30 T 8.42 4.22 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