NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5516 0.0000 0.0000 62.9584 33.4970 174.7105 3 M 5.3937 8.5853 119.2713 53.3766 35.3680 173.6337 4 I 4.9939 9.3222 123.9242 59.5453 42.0391 174.2368 5 S 5.2780 8.9052 119.2358 56.7294 66.2735 172.7844 6 C 4.8345 9.2162 122.7306 57.9009 34.2493 172.3271 7 D 5.4400 8.9350 127.0246 53.6383 41.3304 175.8820 8 M 4.6352 9.2714 123.2798 52.9077 36.4646 175.6276 9 R 4.1324 7.5874 119.4613 56.1363 30.9150 176.2068 10 Y 4.1057 9.1644 124.1659 58.2686 39.1162 174.3850 11 G 3.6220 7.9720 115.7977 45.8555 0.0000 175.2257 12 R 4.1677 7.4646 119.2961 56.2308 30.7810 177.1695 13 T 4.2037 9.3218 113.0423 61.1755 71.1436 175.5538 14 D 4.4181 8.7408 123.9190 58.3000 40.6518 179.7262 15 E 3.9940 8.0924 118.0469 61.3746 29.8243 181.1474 16 Q 4.2015 8.0360 119.4315 58.4703 28.6380 179.1102 17 K 3.9893 8.0529 119.7855 59.4669 32.1386 179.2797 18 R 4.2684 8.3970 115.8594 57.3004 29.4024 177.9053 19 A 4.1577 7.6253 122.1783 54.3033 19.0885 179.1466 20 L 3.9355 7.9916 119.4308 58.1427 42.0562 179.2754 21 S 3.8568 8.4712 114.3622 61.0994 63.0370 176.3801 22 A 4.0385 7.8330 124.7251 55.0091 18.1521 179.9254 23 G 3.5155 7.8314 104.2161 47.5717 0.0000 176.1685 24 L 3.8142 7.8588 121.2402 57.6788 41.6743 179.4544 25 L 3.9816 8.2501 121.7395 58.2468 41.4526 180.5772 26 R 3.8634 7.8353 120.4142 61.4979 29.4568 181.7300 27 V 3.7950 7.6142 113.5210 64.4336 31.6155 178.9429 28 I 3.7209 7.7318 119.3632 64.1563 36.8422 178.5634 29 S 4.5669 7.8464 115.5222 61.1062 62.0760 176.1070 30 E 4.0322 8.1409 119.6292 58.9247 29.2698 178.7765 31 A 4.1647 8.0436 120.7638 54.5142 18.6738 178.8126 32 T 4.3288 7.9669 105.5686 60.9240 69.6399 175.9651 33 G 3.8545 7.9800 109.4105 45.8471 0.0000 173.0389 34 E 4.3557 7.6616 122.0116 53.8898 30.6987 174.2094 35 P 4.6678 0.0000 0.0000 62.4252 32.4831 177.1614 36 R 3.8442 8.9053 121.2087 60.3818 30.0438 179.4984 37 E 4.1612 8.1539 111.6122 57.9985 29.8758 179.1706 38 N 4.8442 8.2535 113.5628 53.6796 38.7117 174.4289 39 I 4.6922 7.5166 120.1995 59.5887 38.8472 175.0593 40 F 4.6212 9.3594 131.1317 57.4000 40.8677 174.2049 41 F 5.6123 7.5698 126.9923 56.3688 42.3665 173.8541 42 V 4.0113 8.5670 125.1780 59.7072 34.4304 174.2663 43 I 4.5789 7.8725 124.4611 59.5675 39.1497 175.0302 44 R 4.6305 9.0923 126.0920 54.5108 32.7201 174.5043 45 E 5.8659 8.4775 123.3942 54.3631 32.1456 175.7136 46 G 4.3546 8.5340 108.3860 45.4410 0.0000 171.0408 47 S 5.0131 8.8045 113.5738 56.8684 64.2171 175.9559 48 G 3.9711 9.2118 113.0450 48.0612 0.0000 175.8772 49 I 3.8112 7.8874 118.5492 63.5705 38.0321 176.2905 50 N 4.4937 8.3649 116.2772 54.3386 38.8855 174.7203 51 F 4.5747 8.4651 118.5693 55.3466 40.7305 174.6861 52 V 4.5821 8.3040 124.8473 61.0872 32.8676 174.3318 53 E 4.3269 8.8969 128.6360 55.9951 30.4000 176.5525 54 H 4.0181 9.8943 122.0680 56.5466 27.3671 175.6816 55 G 3.9505 8.3309 108.1346 46.8335 0.0000 173.4418 56 E 4.6450 7.9167 116.9143 54.3306 31.2592 180.3133 57 H 5.1204 8.7672 121.6871 54.5972 29.1922 175.5407 58 L 4.4441 8.9139 123.3616 54.1255 42.8651 174.8495 59 P 4.6854 0.0000 0.0000 61.5254 33.0426 175.3482 60 D 4.5332 8.7347 120.0870 55.0476 41.3264 175.8508 61 Y 4.3873 8.4409 122.6264 56.6099 39.6649 174.9531 62 V 4.0148 7.3916 126.2071 59.8260 33.5344 173.2475 63 P 4.1294 0.0000 0.0000 63.2149 30.7700 176.0129 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 2 P 0.00 4.55 0.00 2.16 2.27 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 3 M 8.59 5.39 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 4 I 9.32 4.99 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.96 0.00 0.00 5 S 8.91 5.28 0.00 3.88 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 6 C 9.22 4.83 0.00 3.27 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 7 D 8.94 5.44 0.00 2.76 2.86 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 8 M 9.27 4.64 0.00 1.67 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 9 R 7.59 4.13 0.00 1.39 1.81 0.00 3.32 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.00 10 Y 9.16 4.11 0.00 3.04 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.97 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 4.17 0.00 1.62 1.77 0.00 2.70 0.00 0.00 2.80 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 13 T 9.32 4.20 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 1.21 0.00 0.00 14 D 8.74 4.42 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.99 0.00 1.97 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 0.00 2.31 1.97 0.00 16 Q 8.04 4.20 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.05 3.99 0.00 1.98 1.84 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.67 7.81 18 R 8.40 4.27 0.00 2.06 2.18 0.00 3.15 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.50 0.00 19 A 7.63 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.94 0.00 1.84 1.93 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.47 3.86 0.00 4.23 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 0.00 22 A 7.83 4.04 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 23 G 7.83 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.81 0.00 1.49 1.19 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.25 3.98 0.00 1.74 1.66 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.84 3.86 0.00 1.85 1.93 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 27 V 7.61 3.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 28 I 7.73 3.72 1.88 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 1.49 1.02 0.90 0.00 0.00 29 S 7.85 4.57 0.00 4.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.03 0.00 1.97 1.98 0.00 0.00 0.00 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 2.43 0.00 31 A 8.04 4.16 1.35 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 0.00 0.00 32 T 7.97 4.33 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 1.23 0.00 0.00 33 G 7.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.66 4.36 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 35 P 0.00 4.67 0.00 2.26 2.17 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 36 R 8.91 3.84 0.00 1.89 2.04 0.00 3.12 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 37 E 8.15 4.16 0.00 1.99 1.87 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 2.23 1.90 0.00 38 N 8.25 4.84 0.00 2.84 2.88 0.00 0.00 6.82 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.52 4.69 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.91 0.00 0.00 40 F 9.36 4.62 0.00 3.21 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 41 F 7.57 5.61 0.00 2.72 2.67 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 0.00 42 V 8.57 4.01 2.15 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 1.03 0.00 0.00 0.91 0.00 0.00 43 I 7.87 4.58 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.18 0.83 0.00 0.00 44 R 9.09 4.63 0.00 1.85 1.85 0.00 3.27 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 45 E 8.48 5.87 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 46 G 8.53 4.35 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 0.00 0.00 0.00 47 S 8.80 5.01 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.21 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.89 3.81 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.96 0.00 0.00 50 N 8.36 4.49 0.00 2.92 2.55 0.00 0.00 6.86 7.49 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 51 F 8.47 4.57 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.30 4.58 1.99 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 0.77 0.00 0.00 0.58 0.00 0.00 53 E 8.90 4.33 0.00 1.87 1.79 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 2.28 2.38 0.00 54 H 9.89 4.02 0.00 3.35 3.40 0.00 5.57 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 55 G 8.33 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 0.00 0.00 0.00 56 E 7.92 4.65 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 57 H 8.77 5.12 0.00 3.04 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.91 4.44 0.00 1.85 1.62 0.88 0.74 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 59 P 0.00 4.69 0.00 2.10 2.07 0.00 3.83 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 2.02 0.00 60 D 8.73 4.53 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.44 4.39 0.00 2.83 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 62 V 7.39 4.01 1.91 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 0.82 0.00 0.00 0.87 0.00 0.00 63 P 0.00 4.13 0.00 2.16 2.03 0.00 3.67 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00