NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4314 8.1233 122.4790 51.8915 21.0226 174.9104 3 K 5.0098 8.3352 117.3045 54.1882 35.5985 174.1011 4 W 5.4535 9.3605 123.2713 54.9198 33.9690 174.1654 5 V 4.8244 8.8526 123.8146 60.0917 33.6856 174.6428 6 C 3.4237 8.9944 125.3394 58.7095 31.5116 174.2432 7 K 3.9904 8.8103 127.6053 59.2689 31.7003 179.2698 8 I 3.8928 7.8831 120.6546 63.8618 37.2865 176.5159 9 C 4.5867 8.1821 110.9940 57.4761 30.9988 174.7238 10 G 3.9497 8.3166 108.8773 44.8356 0.0000 173.0718 11 Y 4.2824 7.9065 121.4610 58.1411 40.0766 174.7439 12 I 4.7128 7.5869 126.6943 59.7433 38.8740 174.8366 13 Y 4.2600 9.3421 130.4571 57.2246 39.5449 173.6803 14 D 4.6219 7.9274 127.9297 52.6178 42.2994 176.4362 15 E 3.7582 8.9868 127.2053 59.7653 30.0246 179.6880 16 D 4.3929 8.4197 118.3692 56.8174 41.0312 177.3628 17 A 4.2211 7.9490 121.0405 51.7807 19.9811 179.2435 18 G 3.9292 7.8043 104.1022 46.2689 0.0000 174.5888 19 D 4.9917 8.5819 111.1742 52.9351 43.0372 174.8008 20 P 4.4295 0.0000 0.0000 65.7498 31.9989 179.2745 21 D 4.5565 8.2105 117.2348 56.2469 40.8291 176.3187 22 N 4.9488 8.2244 116.5713 52.9592 39.2721 174.9885 23 G 3.8544 8.4329 104.5395 45.8751 0.0000 174.1310 24 I 4.4277 7.5834 120.3561 58.6497 38.7832 175.4554 25 S 4.4932 8.4555 120.5854 57.1128 63.6541 172.0298 26 P 4.2837 0.0000 0.0000 64.8459 31.4416 176.6312 27 G 3.8953 9.2843 110.7278 45.8155 0.0000 172.9525 28 T 4.3346 7.2696 115.6103 61.7622 69.5199 175.3611 29 K 4.4156 8.3716 125.7422 55.9993 33.2822 177.7511 30 F 3.2505 9.5175 124.7388 61.2059 39.2058 177.4111 31 E 3.7900 8.1557 118.1404 59.2641 29.2384 177.7691 32 E 4.1454 7.6410 115.6315 56.6124 30.0343 176.8903 33 L 3.6644 6.7506 119.7709 53.4957 42.1628 175.3030 34 P 4.2464 0.0000 0.0000 62.8836 31.8690 177.2427 35 D 4.2295 8.6539 120.9174 57.0110 40.8439 177.1612 36 D 4.7169 7.8365 115.7567 52.4763 39.9487 176.3426 37 W 4.1527 7.9861 130.4746 57.8179 31.1614 175.3294 38 V 4.3147 6.6402 115.9874 58.7013 35.1291 175.0569 39 C 3.7349 8.6459 122.4187 59.2234 31.5608 172.9928 40 P 4.1718 0.0000 0.0000 64.4428 31.4410 177.2363 41 I 4.0089 7.3857 119.6396 63.2661 37.7098 176.3017 42 C 4.4551 7.9958 111.0685 57.4469 30.7427 174.6715 43 G 3.7696 8.1017 108.4960 45.1215 0.0000 173.6707 44 A 4.1230 7.5700 122.9682 51.1759 19.2040 175.9868 45 P 4.8246 0.0000 0.0000 61.9119 32.5271 177.6595 46 K 4.2717 8.8892 118.9904 59.8399 32.0322 179.6978 47 S 4.3462 8.3422 112.2408 61.0655 63.0161 174.6635 48 E 4.5265 8.8590 119.7846 56.3102 29.3167 175.1189 49 F 5.3823 8.2915 117.8387 56.0171 41.3067 175.1933 50 E 4.8168 9.0911 120.6205 54.2409 33.3772 175.1520 51 K 2.9220 7.9550 125.4469 56.0560 32.8471 177.2808 52 L 4.4556 8.2195 129.0552 52.8203 40.0741 175.5749 53 E 4.5574 7.5974 118.1952 54.8259 32.4043 175.7131 54 D 4.3942 8.4749 118.4891 54.6428 41.3199 176.0144 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 A 8.12 4.43 1.33 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 0.00 0.00 0.00 3 K 8.34 5.01 0.00 1.74 1.68 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.52 7.81 4 W 9.36 5.45 0.00 3.36 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 4.82 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 0.78 0.00 0.00 0.92 0.00 0.00 6 C 8.99 3.42 0.00 2.53 2.80 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 7 K 8.81 3.99 0.00 1.70 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.57 7.81 8 I 7.88 3.89 1.83 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 1.43 0.72 0.90 0.00 0.00 9 C 8.18 4.59 0.00 3.07 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 10 G 8.32 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 11 Y 7.91 4.28 0.00 3.21 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 12 I 7.59 4.71 1.69 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 1.15 0.95 0.86 0.00 0.00 13 Y 9.34 4.26 0.00 3.57 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 14 D 7.93 4.62 0.00 2.62 2.35 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 15 E 8.99 3.76 0.00 2.14 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 0.00 2.77 2.62 0.00 16 D 8.42 4.39 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 17 A 7.95 4.22 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 18 G 7.80 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.99 0.00 3.22 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 20 P 0.00 4.43 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.21 4.56 0.00 2.71 2.80 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 22 N 8.22 4.95 0.00 3.13 2.77 0.00 0.00 7.09 7.28 0.00 0.00 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 8.43 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 24 I 7.58 4.43 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.02 0.88 0.00 0.00 25 S 8.46 4.49 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.06 2.22 0.00 3.70 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 2.05 2.27 0.00 27 G 9.28 3.90 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 0.00 0.00 0.00 28 T 7.27 4.33 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 1.07 0.00 0.00 29 K 8.37 4.42 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.45 7.81 30 F 9.52 3.25 0.00 1.98 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 0.00 0.00 0.00 31 E 8.16 3.79 0.00 1.94 1.97 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 2.38 2.47 0.00 32 E 7.64 4.15 0.00 1.96 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 2.24 2.36 0.00 33 L 6.75 3.66 0.00 0.71 0.69 -1.86 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.25 0.00 2.24 1.96 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 35 D 8.65 4.23 0.00 2.63 2.71 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 0.00 0.00 0.00 0.00 36 D 7.84 4.72 0.00 2.76 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 37 W 7.99 4.15 0.00 3.03 2.95 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 38 V 6.64 4.31 1.97 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 0.73 0.00 0.00 0.61 0.00 0.00 39 C 8.65 3.73 0.00 3.26 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 40 P 0.00 4.17 0.00 2.00 1.95 0.00 3.14 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.72 0.00 41 I 7.39 4.01 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.92 0.00 0.00 42 C 8.00 4.46 0.00 3.03 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 43 G 8.10 3.77 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 0.00 0.00 0.00 44 A 7.57 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.82 0.00 2.28 2.05 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 46 K 8.89 4.27 0.00 1.87 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.68 7.81 47 S 8.34 4.35 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 48 E 8.86 4.53 0.00 2.10 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 2.39 2.47 0.00 49 F 8.29 5.38 0.00 3.15 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 50 E 9.09 4.82 0.00 1.86 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 2.26 2.28 0.00 51 K 7.95 2.92 0.00 0.79 0.89 0.00 1.14 0.00 0.00 1.69 0.00 0.00 2.61 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.76 0.21 7.81 52 L 8.22 4.46 0.00 1.51 1.52 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.60 4.56 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 54 D 8.47 4.39 0.00 2.60 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