NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3968 8.3349 115.2896 57.7106 63.1007 173.5561 2 S 4.1197 8.5877 124.2105 58.1244 63.5472 173.4545 3 D 4.5943 8.2652 122.5860 53.5970 43.5598 175.8465 4 P 4.2386 0.0000 0.0000 66.0910 31.5617 178.4613 5 L 4.1642 8.0176 119.6612 57.4319 41.6454 178.9872 6 V 3.6547 7.5066 117.6674 65.6858 31.6095 177.9157 7 V 3.5744 7.7024 116.3985 65.7409 31.5589 177.6937 8 A 4.0759 8.6668 120.6824 55.2505 17.1788 179.3118 9 A 4.1747 7.8578 119.0986 55.0767 18.2419 179.0413 10 S 4.3099 7.7538 111.8547 59.2862 63.6002 176.3824 11 I 3.8166 8.1599 124.1530 63.7704 36.7031 177.4624 12 I 4.0571 7.6733 111.1928 62.1196 38.2036 177.2743 13 A 4.2514 7.2659 123.6976 55.1035 18.4756 179.3484 14 I 3.9135 8.0235 117.4579 63.1674 37.0316 177.4859 15 L 3.9996 7.7874 120.0055 56.6513 42.5064 177.2962 16 H 4.3138 7.9964 118.3151 58.9484 29.9944 176.3842 17 L 4.0611 8.0990 121.7649 58.4877 41.4927 179.5088 18 I 3.8207 7.4436 119.2550 64.3781 37.0304 178.2069 19 L 4.0640 7.6313 117.2791 56.6003 41.5789 178.8538 20 W 4.2078 7.7719 128.5939 59.5715 30.9607 177.6662 21 I 3.8837 8.0557 116.5393 62.7889 37.4837 175.6266 22 L 4.5217 7.5951 120.0039 55.2679 41.5457 175.2800 23 D 4.3631 7.6155 115.1141 53.8274 43.4943 176.6499 24 R 4.4142 6.2340 117.8383 54.0545 33.2806 176.3092 25 L 4.2238 8.1597 117.5273 55.4649 41.8046 176.9002 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 8.33 4.40 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.12 0.00 3.98 3.79 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 3 D 8.27 4.59 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.26 2.30 0.00 3.71 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 2.07 2.02 0.00 5 L 8.02 4.16 0.00 1.77 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.51 3.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 7 V 7.70 3.57 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 0.87 0.00 0.00 0.99 0.00 0.00 8 A 8.67 4.08 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 9 A 7.86 4.17 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 10 S 7.75 4.31 0.00 3.83 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 11 I 8.16 3.82 2.02 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 1.58 0.79 0.92 0.00 0.00 12 I 7.67 4.06 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 0.98 0.00 0.00 13 A 7.27 4.25 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 14 I 8.02 3.91 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.10 0.93 0.00 0.00 15 L 7.79 4.00 0.00 1.98 1.71 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.00 4.31 0.00 3.61 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.10 4.06 0.00 1.80 1.73 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.44 3.82 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.94 0.00 0.00 19 L 7.63 4.06 0.00 1.77 1.73 0.90 0.83 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 20 W 7.77 4.21 0.00 3.60 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 0.00 21 I 8.06 3.88 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.08 0.00 0.00 22 L 7.60 4.52 0.00 1.83 1.66 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.62 4.36 0.00 2.47 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 0.00 0.00 0.00 24 R 6.23 4.41 0.00 1.03 1.57 0.00 3.26 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.40 0.00 25 L 8.16 4.22 0.00 1.64 1.60 0.88 0.77 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