NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3409 8.2644 123.5821 52.0621 19.9478 175.8369 2 V 4.3337 7.9334 120.6295 58.5621 34.8502 173.3719 3 Q 4.0699 8.8297 123.2770 57.0380 29.4715 176.1091 4 Q 4.4249 8.4704 119.0567 56.4913 30.1126 175.2554 5 N 4.8308 7.6867 113.8720 51.6311 42.5328 173.3940 6 K 3.9641 8.7541 123.9960 55.9866 32.1114 174.4946 7 P 4.2167 0.0000 0.0000 63.0859 32.0448 177.2145 8 T 4.0395 8.4195 117.0126 61.8663 69.2388 175.1693 9 R 4.0091 8.5365 122.5914 58.9941 29.4874 179.1402 10 S 4.0718 7.9417 113.9427 61.3102 62.7179 175.5349 11 K 3.8631 8.0621 121.8573 59.4626 31.6305 178.0463 12 R 3.9829 7.6618 117.5966 59.6116 30.1479 178.2737 13 G 3.7564 7.7752 105.0022 48.2361 0.0000 175.1783 14 M 3.9761 7.8668 121.2232 58.4347 31.7538 178.9709 15 R 3.9946 7.7713 117.2402 58.9603 30.0760 177.7853 16 R 4.3334 8.0588 116.4026 56.2875 29.9058 178.2369 17 S 4.1084 7.4419 115.5086 62.2136 63.0045 175.7139 18 H 4.2856 8.0285 118.8786 57.6975 29.2822 176.4588 19 D 4.6661 7.4281 119.6061 53.8549 38.3355 174.1180 20 A 4.7965 7.3806 122.2920 50.2556 23.0498 175.3806 21 L 4.6727 8.1789 118.5960 53.5820 43.7655 176.2890 22 T 4.6780 7.9673 114.2720 60.0790 70.5510 176.3392 23 A 4.7555 7.8882 132.8134 51.6537 17.2370 180.2029 24 V 4.4181 8.3927 111.4815 63.0572 35.2546 174.7191 25 T 3.9776 8.8728 108.4669 62.1609 67.5127 168.5841 26 S 4.1345 7.4941 121.2321 58.7363 65.1647 168.8961 27 L 4.7993 7.7670 128.2570 54.9446 39.1578 178.4643 28 S 4.7617 8.6176 109.4110 57.3408 65.9272 172.8469 29 V 5.0787 8.3612 123.4584 59.8781 33.7725 174.8025 30 D 4.5349 8.6267 122.3009 54.1744 41.6699 176.2431 31 K 4.2777 8.5222 120.9753 58.8329 33.0902 178.8382 32 T 4.1557 8.0119 115.1225 65.8593 68.8152 174.2202 33 S 4.6893 7.1759 112.2702 56.6590 66.3270 174.9356 34 G 3.8287 8.2949 111.1497 45.2346 0.0000 173.7625 35 E 4.3129 7.5793 118.5382 54.9591 31.8092 177.6094 36 K 4.8178 8.7626 127.3062 55.5593 31.1208 175.0529 37 H 5.1210 9.0892 121.6310 52.7338 32.2621 173.2398 38 L 4.2549 8.2669 121.3082 54.5424 43.2108 176.3779 39 R 3.8068 8.6296 124.4114 58.6675 30.4329 176.2651 40 H 4.8615 10.2417 116.8679 56.3763 26.1444 174.2268 41 H 3.8049 8.3278 111.3448 55.9822 31.2808 174.8762 42 I 3.2720 7.1156 122.2650 59.9913 36.8866 175.0309 43 T 4.4237 8.7664 115.1814 60.5745 70.7279 174.8597 44 A 4.3371 7.8922 122.8794 54.1928 18.3059 177.8819 45 D 4.8115 8.2114 112.8783 53.5186 43.0719 176.0810 46 G 4.1759 8.1950 106.6489 46.4997 0.0000 173.2027 47 Y 4.9859 8.8070 117.8097 56.7565 41.3001 176.3532 48 Y 5.3293 8.1730 123.9467 57.9902 39.9306 177.8401 49 R 4.2642 8.0364 113.6427 55.4357 29.6220 175.6412 50 G 4.2695 7.7451 106.0781 45.1980 0.0000 171.6207 51 R 3.4628 8.4365 115.4889 57.8795 30.4306 175.0709 52 K 3.7627 8.0045 118.1461 56.3654 33.5581 176.0657 53 V 4.1415 8.5106 120.6312 60.0124 33.8330 171.9441 54 I 3.1129 8.3428 128.6019 60.4231 36.5346 173.9584 55 A 3.8717 8.8369 128.0293 53.8493 18.7650 177.1304 56 K 4.2807 8.6559 119.7046 57.3841 34.2592 174.4531 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 A 8.26 4.34 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 2 V 7.93 4.33 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 0.86 0.00 0.00 0.93 0.00 0.00 3 Q 8.83 4.07 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 4 Q 8.47 4.42 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 5 N 7.69 4.83 0.00 2.69 2.65 0.00 0.00 6.88 7.61 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 6 K 8.75 3.96 0.00 1.71 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 7 P 0.00 4.22 0.00 2.08 2.00 0.00 3.74 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 2.03 2.09 0.00 8 T 8.42 4.04 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 9 R 8.54 4.01 0.00 2.07 2.18 0.00 3.02 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 10 S 7.94 4.07 0.00 3.91 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 K 8.06 3.86 0.00 1.90 1.95 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.57 7.81 12 R 7.66 3.98 0.00 1.88 2.22 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 13 G 7.78 3.76 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 0.00 0.00 0.00 14 M 7.87 3.98 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 15 R 7.77 3.99 0.00 1.85 2.13 0.00 3.26 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 R 8.06 4.33 0.00 2.02 1.93 0.00 3.19 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 17 S 7.44 4.11 0.00 3.87 4.03 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 0.00 0.00 0.00 18 H 8.03 4.29 0.00 3.18 3.41 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.43 4.67 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.38 4.80 1.20 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 21 L 8.18 4.67 0.00 1.64 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.97 4.68 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 1.21 0.00 0.00 23 A 7.89 4.76 1.01 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 0.00 0.00 24 V 8.39 4.42 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 0.83 0.00 0.00 0.94 0.00 0.00 25 T 8.87 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 1.22 0.00 0.00 26 S 7.49 4.13 0.00 3.91 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 27 L 7.77 4.80 0.00 1.96 0.96 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.62 4.76 0.00 3.92 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 29 V 8.36 5.08 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 0.77 0.00 0.00 0.97 0.00 0.00 30 D 8.63 4.53 0.00 2.59 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 31 K 8.52 4.28 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.43 7.81 32 T 8.01 4.16 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 33 S 7.18 4.69 0.00 3.58 3.30 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 34 G 8.29 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.58 4.31 0.00 1.79 1.84 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 2.13 2.23 0.00 36 K 8.76 4.82 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 37 H 9.09 5.12 0.00 3.26 3.37 0.00 5.31 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.27 4.25 0.00 1.72 1.66 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.63 3.81 0.00 1.87 1.99 0.00 3.57 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 40 H 10.24 4.86 0.00 3.20 3.44 0.00 5.98 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.33 3.80 0.00 2.99 3.02 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.12 3.27 1.82 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 1.35 0.71 0.93 0.00 0.00 43 T 8.77 4.42 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 44 A 7.89 4.34 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 45 D 8.21 4.81 0.00 2.85 2.73 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 0.00 0.00 0.00 46 G 8.20 4.18 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 0.00 0.00 0.00 47 Y 8.81 4.99 0.00 2.98 3.11 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 Y 8.17 5.33 0.00 2.94 1.85 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 49 R 8.04 4.26 0.00 1.49 1.61 0.00 2.85 0.00 0.00 2.89 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 50 G 7.75 4.27 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 0.00 51 R 8.44 3.46 0.00 1.94 1.96 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 52 K 8.00 3.76 0.00 0.79 1.30 0.00 1.52 0.00 0.00 1.54 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.94 0.28 7.81 53 V 8.51 4.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.03 0.00 0.00 54 I 8.34 3.11 1.86 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 1.34 0.34 0.91 0.00 0.00 55 A 8.84 3.87 1.24 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 0.00 0.00 0.00 56 K 8.66 4.28 0.00 1.94 1.90 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.48 7.81