NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4115 8.1627 118.1929 54.5325 32.8919 176.5148 2 E 3.7396 8.2497 121.7823 59.2297 29.3001 177.2313 3 T 3.6801 8.0778 116.4690 66.8312 68.9669 175.0480 4 L 4.2637 8.0051 122.7433 57.9244 41.9711 179.0253 5 K 3.7393 7.7589 118.9812 59.3633 32.1454 177.8357 6 I 4.0684 7.2602 113.2458 63.8238 37.7160 177.7389 7 T 3.8541 7.7886 111.6536 64.9732 68.1632 176.5508 8 V 3.4877 7.9485 114.6974 64.7561 31.4680 178.0368 9 Y 4.4550 6.8274 114.5288 61.3788 37.7056 178.8583 10 I 3.8729 7.8311 120.4556 64.9298 37.1670 178.7312 11 V 3.7960 7.4578 118.4566 65.6648 31.1785 178.4198 12 V 3.5869 8.3369 119.3990 64.9220 31.5734 178.3924 13 T 3.9104 10.0942 116.4636 66.4724 68.3665 176.2572 14 F 4.1914 9.0064 122.4342 61.6784 39.5832 177.5644 15 F 4.1381 8.5891 116.7570 60.7318 38.8565 177.7819 16 V 3.7698 8.4425 118.1834 66.2922 31.2821 178.0737 17 L 3.7528 8.9272 119.4658 57.5948 41.1835 179.2621 18 L 4.0971 8.3606 119.9059 57.9612 42.2899 178.3160 19 F 4.3677 8.8521 121.5024 61.0896 39.1369 176.9971 20 V 3.2524 8.1728 117.4140 66.1594 31.4164 178.2561 21 F 4.4372 8.2662 116.7465 59.7477 38.3963 177.6404 22 G 3.6087 7.6983 105.1436 47.3431 0.0000 175.6954 23 F 5.1838 7.7386 119.6655 58.8329 39.0025 177.6606 24 L 4.2601 9.0102 120.4784 57.6595 41.2339 180.8742 25 S 4.2324 7.4932 109.2123 57.8317 62.1875 172.9665 26 G 3.7207 8.9804 109.9528 47.4560 0.0000 173.4435 27 D 5.0490 8.2449 121.6142 52.9735 41.1151 176.6349 28 P 4.3145 0.0000 0.0000 64.3953 31.3183 176.1333 29 A 4.5861 7.5570 119.9618 51.4521 21.3348 175.9749 30 R 3.8736 10.1628 114.6002 56.0670 25.9845 174.7765 31 N 4.7058 7.2575 113.3125 51.5777 39.7275 171.6990 32 P 4.2806 0.0000 0.0000 64.2084 31.2726 175.6208 33 K 3.6389 8.3064 126.1863 61.7635 29.6239 177.2049 34 R 3.8418 7.6975 108.7552 56.6982 29.0018 175.5493 35 K 4.1045 8.0689 129.5896 57.5673 32.1191 176.2685 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 4.41 0.00 2.20 2.34 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 2.52 2.52 0.00 2 E 8.25 3.74 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 3 T 8.08 3.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 L 8.01 4.26 0.00 1.70 1.61 0.87 0.65 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 5 K 7.76 3.74 0.00 1.79 1.97 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.40 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.53 7.81 6 I 7.26 4.07 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 1.12 0.00 0.00 7 T 7.79 3.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 8 V 7.95 3.49 1.88 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 0.63 0.00 0.00 0.63 0.00 0.00 9 Y 6.83 4.45 0.00 3.29 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 10 I 7.83 3.87 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.13 1.02 0.00 0.00 11 V 7.46 3.80 2.17 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 0.88 0.00 0.00 0.99 0.00 0.00 12 V 8.34 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.92 0.00 0.00 13 T 10.09 3.91 4.38 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 1.25 0.00 0.00 14 F 9.01 4.19 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 15 F 8.59 4.14 0.00 3.33 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 16 V 8.44 3.77 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 1.13 0.00 0.00 1.03 0.00 0.00 17 L 8.93 3.75 0.00 1.76 1.30 0.82 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.36 4.10 0.00 1.94 1.89 1.07 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.85 4.37 0.00 3.12 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 20 V 8.17 3.25 1.96 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 0.97 0.00 0.00 0.99 0.00 0.00 21 F 8.27 4.44 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 5.18 0.00 2.57 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.26 0.00 1.78 1.80 1.24 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.49 4.23 0.00 4.09 3.95 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 26 G 8.98 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.24 5.05 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.31 0.00 2.03 2.10 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 29 A 7.56 4.59 1.27 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 0.00 0.00 30 R 10.16 3.87 0.00 2.00 2.25 0.00 3.43 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 31 N 7.26 4.71 0.00 2.80 2.81 0.00 0.00 6.35 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.28 0.00 2.21 2.14 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 33 K 8.31 3.64 0.00 1.96 2.00 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.35 7.81 34 R 7.70 3.84 0.00 2.04 2.41 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 35 K 8.07 4.10 0.00 1.81 1.72 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81