NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3984 8.3193 115.4114 57.0687 64.3025 172.4784 2 P 4.2429 0.0000 0.0000 59.9572 31.3905 173.2811 3 P 4.4722 0.0000 0.0000 62.7029 32.8013 175.7057 4 D 5.0498 8.1720 118.0416 51.7647 42.1146 175.5148 5 Y 4.8815 7.1526 115.7974 57.2557 38.6635 176.6202 6 S 4.3271 8.7462 113.7762 60.2824 62.5348 175.8662 7 A 4.2082 7.6240 124.5861 51.0436 15.6354 175.3393 8 A 4.1332 8.3634 120.5752 51.7198 19.1646 175.8692 9 P 4.6866 0.0000 0.0000 63.3802 32.6733 175.3274 10 R 4.7096 8.5258 115.0736 56.2260 32.4091 176.1869 11 G 3.8690 9.6069 107.5577 46.0250 0.0000 174.1568 12 R 3.8952 7.9995 117.1345 56.9781 33.8062 176.1034 13 F 3.6705 7.9139 117.7981 57.6609 35.3926 174.3693 14 G 4.5437 7.3897 111.9100 46.1075 0.0000 170.1392 15 I 4.7824 8.3408 121.0108 59.0969 37.9095 174.5160 16 P 4.6429 0.0000 0.0000 61.2846 34.3078 178.2636 17 F 4.6581 8.2359 114.0860 57.9544 37.5781 176.5303 18 F 4.2538 8.5496 120.0424 60.3037 37.4556 175.6133 19 P 4.2761 0.0000 0.0000 64.0112 30.9136 177.8420 20 V 3.5113 7.8093 119.1936 66.8907 31.4929 177.2861 21 H 4.2086 7.9863 114.5748 58.9014 28.6618 178.0175 22 L 4.0258 7.9325 120.1034 57.8537 41.6563 179.3711 23 K 4.0005 8.4946 119.8803 59.3467 32.0572 178.7822 24 R 3.9630 8.5180 119.7471 58.9049 29.8650 178.2728 25 L 3.9374 7.7629 119.9919 58.0605 42.0923 178.6792 26 L 3.9603 7.8693 120.2312 58.2516 41.9424 178.9307 27 I 3.6772 8.1618 120.1515 64.2322 36.8075 178.1869 28 L 3.9104 7.8011 119.9710 57.9655 42.0375 178.1242 29 L 4.0807 7.9766 119.4633 58.3977 42.0190 178.4475 30 L 4.0782 7.8907 118.6236 57.9613 42.1184 176.8786 31 L 4.2476 8.0181 123.8803 55.4066 42.1818 176.2250 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 S 8.32 4.40 0.00 3.98 3.96 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 2 P 0.00 4.24 0.00 2.30 2.14 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 3 P 0.00 4.47 0.00 2.22 2.12 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 4 D 8.17 5.05 0.00 2.35 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.15 4.88 0.00 3.16 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 6 S 8.75 4.33 0.00 3.81 3.91 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 A 7.62 4.21 1.29 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 0.00 0.00 8 A 8.36 4.13 1.30 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 0.00 0.00 0.00 9 P 0.00 4.69 0.00 2.35 2.25 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.03 0.00 10 R 8.53 4.71 0.00 1.82 2.03 0.00 3.30 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 11 G 9.61 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.00 3.90 0.00 1.82 1.92 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 13 F 7.91 3.67 0.00 3.13 3.26 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 0.00 14 G 7.39 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 4.78 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.84 0.97 0.00 0.00 16 P 0.00 4.64 0.00 1.51 2.04 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 17 F 8.24 4.66 0.00 3.27 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 18 F 8.55 4.25 0.00 3.16 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 19 P 0.00 4.28 0.00 2.07 1.83 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.46 0.00 20 V 7.81 3.51 2.26 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 0.87 0.00 0.00 0.96 0.00 0.00 21 H 7.99 4.21 0.00 3.44 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.93 4.03 0.00 1.72 1.77 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.49 4.00 0.00 1.82 1.79 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 24 R 8.52 3.96 0.00 1.90 2.18 0.00 3.33 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 25 L 7.76 3.94 0.00 1.83 1.81 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.87 3.96 0.00 1.83 1.81 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.16 3.68 1.87 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 1.40 0.65 0.91 0.00 0.00 28 L 7.80 3.91 0.00 1.79 1.84 0.93 0.86 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 29 L 7.98 4.08 0.00 1.74 1.90 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.89 4.08 0.00 1.72 1.87 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.02 4.25 0.00 1.79 1.69 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00