NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7051 8.3049 120.3314 55.6702 34.4618 174.5289 2 K 4.2441 7.4628 122.3743 54.6100 34.1528 177.9132 3 E 3.7471 10.2893 130.5978 57.2098 28.6125 174.4731 4 G 4.5858 8.2282 123.4208 46.2804 0.0000 173.5354 5 I 4.5219 7.2040 112.0896 59.8257 37.4515 173.7672 6 H 4.9603 7.9942 118.8282 54.7041 31.2787 173.2057 7 P 4.3000 0.0000 0.0000 66.4154 31.2849 176.3390 8 K 3.9391 9.3822 120.4846 56.6595 29.0776 172.3312 9 L 4.4287 7.9456 130.8734 55.2518 39.6846 172.9563 10 V 4.7595 7.6731 124.2579 59.5783 35.2249 172.5669 11 P 4.8511 0.0000 0.0000 63.2993 32.0977 174.9831 12 A 4.8841 9.0468 123.9826 50.4125 23.8687 174.4529 13 R 4.9247 8.4770 114.0892 54.6276 32.7376 174.8027 14 I 4.4484 8.9627 122.9452 60.2052 39.7393 175.0768 15 I 4.8778 9.1583 128.6678 59.2783 37.0740 175.7362 16 C 4.6742 8.4273 126.2829 59.2636 32.1813 173.0544 17 G 4.3572 8.8117 106.2197 45.3976 0.0000 173.8083 18 C 4.7019 7.7856 115.1132 57.7566 30.3061 175.2701 19 G 4.1745 7.9353 115.3391 48.2851 0.0000 174.1611 20 N 3.7892 7.1360 117.9446 51.2995 39.0749 172.8477 21 V 5.2460 8.1799 125.8396 60.5263 33.3969 174.6825 22 I 4.2769 8.2567 129.1701 60.4577 39.0450 174.4724 23 E 4.8450 8.5206 126.4616 54.4313 31.4420 174.4105 24 T 4.0584 8.2072 119.5407 61.5685 74.7056 172.0378 25 Y 5.3171 8.7600 119.5037 55.8965 43.5533 175.3269 26 S 4.6185 8.7912 123.7943 58.6783 64.6576 178.1685 27 T 3.9823 8.9589 113.7745 63.1901 69.8120 170.4637 28 K 3.8923 8.4834 132.4059 56.0054 30.1908 174.8539 29 P 4.1964 0.0000 0.0000 64.3811 31.5109 175.6917 30 E 4.3023 7.6406 119.3458 54.7072 29.1901 174.3688 31 I 4.0989 8.0692 125.8137 59.2140 40.5499 174.1554 32 Y 4.9514 7.2978 126.0227 55.1447 38.0054 176.6826 33 V 4.0035 8.1196 128.6220 63.3547 33.6529 173.8542 34 E 4.5003 8.7752 114.3368 57.8890 32.1153 176.2844 35 V 4.6028 7.4977 115.6522 62.1418 35.0135 171.7017 36 C 4.9917 8.3765 123.9599 57.9807 30.3268 173.9478 37 S 4.3378 8.4123 115.5848 59.3422 63.1140 173.2981 38 K 4.4014 9.2297 123.2553 56.9186 31.1509 176.4879 39 C 4.9579 8.3610 115.4167 54.8363 31.3918 171.1845 40 H 4.4579 7.8624 126.3469 54.6344 31.4609 173.5465 41 P 3.9829 0.0000 0.0000 62.0663 32.2193 174.3202 42 F 4.7108 7.9275 112.9832 57.4849 39.7658 171.2223 43 Y 3.6867 9.1864 118.6170 53.6436 42.5815 175.4872 44 T 3.4492 7.3882 107.6345 59.9697 71.4862 172.6045 45 G 4.3009 8.0991 111.9466 44.4584 0.0000 171.1077 46 Q 4.5916 8.4787 119.1054 54.7928 32.7408 175.0958 47 Q 4.7242 9.6567 124.7169 56.0186 30.1045 174.2158 48 R 4.7669 9.2491 124.1643 56.5734 31.8582 174.2286 49 F 3.8810 8.5941 116.8629 56.9727 37.4535 174.0748 50 V 3.2079 7.6007 119.9521 62.3402 31.5495 178.2552 51 D 4.7402 8.2693 123.5630 54.7675 40.3410 175.1313 52 T 4.2531 7.8254 111.1296 59.2137 67.2584 172.8612 53 E 4.6548 7.5798 128.5822 56.7100 32.6942 174.7049 54 G 4.2022 10.2849 108.2474 44.9019 0.0000 173.7775 55 R 4.6473 8.0115 112.9568 54.8132 28.9726 175.3681 56 V 4.2922 7.2468 112.5694 62.6907 32.4544 174.7253 57 E 4.3795 7.9288 124.3918 56.4615 29.3231 175.0091 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 8.30 4.71 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 7.46 4.24 0.00 1.79 0.80 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.47 7.81 3 E 10.29 3.75 0.00 2.13 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 2.27 2.33 0.00 4 G 8.23 4.59 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 0.00 0.00 0.00 5 I 7.20 4.52 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.92 0.00 0.00 6 H 7.99 4.96 0.00 3.12 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.30 0.00 2.05 2.11 0.00 3.69 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 2.03 2.07 0.00 8 K 9.38 3.94 0.00 1.79 2.14 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.24 7.81 9 L 7.95 4.43 0.00 1.84 1.76 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.67 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 11 P 0.00 4.85 0.00 1.96 2.02 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 12 A 9.05 4.88 1.16 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 0.00 0.00 13 R 8.48 4.92 0.00 1.81 1.94 0.00 2.87 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 14 I 8.96 4.45 1.96 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 1.21 0.73 0.91 0.00 0.00 15 I 9.16 4.88 2.11 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 1.22 1.61 0.98 0.00 0.00 16 C 8.43 4.67 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.79 4.70 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.14 3.79 0.00 2.79 2.72 0.00 0.00 6.54 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.18 5.25 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 1.04 0.00 0.00 1.00 0.00 0.00 22 I 8.26 4.28 1.86 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 1.24 0.44 0.91 0.00 0.00 23 E 8.52 4.84 0.00 1.87 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 1.98 2.15 0.00 24 T 8.21 4.06 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 1.23 0.00 0.00 25 Y 8.76 5.32 0.00 2.76 3.02 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 0.00 0.00 0.00 26 S 8.79 4.62 0.00 4.03 3.84 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 27 T 8.96 3.98 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 28 K 8.48 3.89 0.00 1.95 2.01 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.51 7.81 29 P 0.00 4.20 0.00 2.19 2.06 0.00 3.62 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 2.11 2.30 0.00 30 E 7.64 4.30 0.00 1.96 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 2.31 2.37 0.00 31 I 8.07 4.10 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.84 0.00 0.00 32 Y 7.30 4.95 0.00 2.88 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 33 V 8.12 4.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 34 E 8.78 4.50 0.00 2.08 1.90 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 2.28 2.31 0.00 35 V 7.50 4.60 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 0.74 0.00 0.00 0.91 0.00 0.00 36 C 8.38 4.99 0.00 3.10 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.41 4.34 0.00 3.91 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 38 K 9.23 4.40 0.00 1.79 2.23 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.41 7.81 39 C 8.36 4.96 0.00 3.00 3.02 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 0.00 0.00 0.00 40 H 7.86 4.46 0.00 3.28 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 3.98 0.00 1.93 1.81 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 42 F 7.93 4.71 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 43 Y 9.19 3.69 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.39 3.45 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 45 G 8.10 4.30 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 0.00 46 Q 8.48 4.59 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 47 Q 9.66 4.72 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 48 R 9.25 4.77 0.00 1.96 2.06 0.00 3.29 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 49 F 8.59 3.88 0.00 3.04 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.60 3.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.78 0.00 0.00 51 D 8.27 4.74 0.00 3.05 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 T 7.83 4.25 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 53 E 7.58 4.65 0.00 1.90 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 2.21 0.00 54 G 10.28 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.01 4.65 0.00 1.86 1.92 0.00 3.06 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.02 0.00 56 V 7.25 4.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 57 E 7.93 4.38 0.00 1.89 1.73 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 2.14 2.30 0.00