NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5065 8.3049 120.3326 55.1336 33.4403 174.6651 2 K 4.3273 8.4186 120.3454 54.8339 33.8728 175.1168 3 K 4.6706 9.0892 121.9656 56.4476 34.6880 175.2129 4 Y 4.9509 8.9376 120.7677 56.3814 41.6429 174.4788 5 T 5.0207 8.6902 116.9954 60.0590 70.7946 172.5469 6 C 3.2998 8.7906 129.7990 59.2968 31.9094 174.2300 7 T 4.0131 8.4859 117.3435 63.1654 69.0212 176.0415 8 V 3.8136 7.6443 122.1629 65.1028 31.7838 175.9443 9 C 4.6815 7.8273 109.4953 57.0042 30.7158 174.6315 10 G 3.9100 8.5240 109.4095 44.9679 0.0000 173.2094 11 Y 4.2780 7.8150 120.9974 58.4144 39.9780 174.8586 12 I 4.7285 7.4584 125.6329 59.5405 39.4828 174.3419 13 Y 4.3542 9.4292 129.8235 56.9538 40.1370 173.4255 14 N 4.8207 7.9961 126.1659 50.9321 40.5163 173.5660 15 P 4.1099 0.0000 0.0000 65.6052 31.7013 178.4496 16 E 4.1204 8.2578 118.2243 58.9056 29.5454 177.6815 17 D 4.4495 7.9744 117.2909 54.2693 42.1562 178.0484 18 G 3.9733 7.9287 107.2210 45.3444 0.0000 173.2683 19 D 4.9851 8.6594 112.4658 52.2480 41.8145 175.2056 20 P 4.4497 0.0000 0.0000 65.8559 32.0079 179.2638 21 D 4.4247 8.2793 117.6576 56.5798 40.8374 176.5720 22 N 4.8755 8.3781 114.8605 53.0054 38.9242 175.5596 23 G 3.8067 8.4205 105.6497 45.4414 0.0000 174.3766 24 V 4.0482 7.6913 120.4729 60.8087 31.0623 175.1579 25 N 4.8622 8.3148 124.9812 51.8600 39.3236 173.2342 26 P 4.1425 0.0000 0.0000 64.7883 31.7420 177.0332 27 G 3.9075 9.3455 110.5063 45.5880 0.0000 173.2226 28 T 4.2580 7.2641 116.4197 62.0007 69.2716 174.5031 29 D 4.5685 8.4987 126.3529 53.8129 42.4080 176.5472 30 F 3.4251 8.9650 127.4636 60.8656 39.4061 177.4517 31 K 3.8600 7.5502 118.3617 59.3971 32.3779 177.4830 32 D 4.4423 7.5429 117.4487 54.7091 41.2454 176.8367 33 I 3.4108 6.6253 120.9199 60.0961 37.5906 174.1890 34 P 4.1319 0.0000 0.0000 63.3491 31.5558 176.6742 35 D 4.4987 8.6034 120.6028 55.5524 40.8209 176.4114 36 D 4.7415 7.7981 117.9560 52.5765 39.9337 176.3415 37 W 4.2892 7.9914 130.2861 57.5038 31.2616 175.6195 38 V 4.2428 6.8351 116.4888 58.7078 34.9042 175.1006 39 C 3.4895 8.5589 122.6872 59.0798 31.7023 173.4219 40 P 4.0700 0.0000 0.0000 65.1028 31.2590 177.3036 41 L 4.2691 7.5411 117.9552 56.0176 41.6188 176.8712 42 C 4.5304 7.6389 109.7411 56.8334 30.7749 174.2793 43 A 3.7212 7.8964 121.9691 53.2334 16.4047 178.0963 44 V 4.0463 6.9993 112.5687 61.6004 33.0352 176.5421 45 G 4.1952 8.2686 111.0292 44.5945 0.0000 174.8186 46 K 4.1819 8.7213 118.0225 59.3634 31.9946 178.9266 47 D 4.6911 8.2782 116.2880 55.1208 39.6750 176.5697 48 Q 4.5826 8.4909 118.9268 55.9095 29.0402 174.6721 49 F 5.2563 8.4756 117.0988 56.3735 40.9667 175.1962 50 E 4.9008 8.9286 119.6074 54.3015 34.0579 175.0060 51 E 2.9595 8.5580 121.8599 56.5545 30.2804 177.4727 52 V 3.8569 8.1791 125.1495 61.8424 31.0067 174.8268 53 E 4.5115 8.3323 127.9902 54.7935 31.2773 175.7315 54 E 4.2318 8.2900 120.2117 56.8688 29.2339 174.8816 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 4.51 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 2 K 8.42 4.33 0.00 1.87 1.64 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.58 7.81 3 K 9.09 4.67 0.00 1.68 1.71 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.45 7.81 4 Y 8.94 4.95 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 5.02 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 1.15 0.00 0.00 6 C 8.79 3.30 0.00 2.41 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 7 T 8.49 4.01 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 7.64 3.81 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 0.82 0.00 0.00 0.92 0.00 0.00 9 C 7.83 4.68 0.00 3.07 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 10 G 8.52 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.81 4.28 0.00 3.17 2.93 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 12 I 7.46 4.73 1.69 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 1.16 0.58 0.88 0.00 0.00 13 Y 9.43 4.35 0.00 3.59 3.16 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 14 N 8.00 4.82 0.00 2.63 2.46 0.00 0.00 6.92 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 15 P 0.00 4.11 0.00 2.29 2.55 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 16 E 8.26 4.12 0.00 2.12 2.02 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 2.32 2.25 0.00 17 D 7.97 4.45 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 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 19 D 8.66 4.99 0.00 3.16 2.79 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 0.00 0.00 0.00 20 P 0.00 4.45 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.91 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 8.28 4.42 0.00 2.76 2.82 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 0.00 0.00 0.00 22 N 8.38 4.88 0.00 3.12 2.95 0.00 0.00 7.03 7.65 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 23 G 8.42 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.69 4.05 2.26 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 0.94 0.00 0.00 0.61 0.00 0.00 25 N 8.31 4.86 0.00 2.87 2.72 0.00 0.00 7.03 8.03 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 26 P 0.00 4.14 0.00 2.03 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 27 G 9.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.26 4.26 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 1.06 0.00 0.00 29 D 8.50 4.57 0.00 2.69 2.64 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 0.00 30 F 8.97 3.43 0.00 2.56 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 0.00 0.00 0.00 0.00 31 K 7.55 3.86 0.00 1.99 1.93 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.36 7.81 32 D 7.54 4.44 0.00 2.73 2.64 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 0.00 33 I 6.63 3.41 0.99 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.13 -0.06 0.00 0.00 34 P 0.00 4.13 0.00 2.23 1.95 0.00 3.37 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 35 D 8.60 4.50 0.00 2.62 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 36 D 7.80 4.74 0.00 2.77 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 4.29 0.00 3.13 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 38 V 6.84 4.24 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 0.69 0.00 0.00 0.64 0.00 0.00 39 C 8.56 3.49 0.00 3.18 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 40 P 0.00 4.07 0.00 2.00 2.04 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.95 0.00 41 L 7.54 4.27 0.00 1.63 1.75 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.64 4.53 0.00 3.03 3.09 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 0.00 0.00 0.00 43 A 7.90 3.72 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.00 4.05 2.13 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 0.66 0.00 0.00 1.00 0.00 0.00 45 G 8.27 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 46 K 8.72 4.18 0.00 1.86 1.93 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.68 7.81 47 D 8.28 4.69 0.00 2.87 2.88 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 0.00 0.00 0.00 0.00 48 Q 8.49 4.58 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.48 5.26 0.00 3.28 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 50 E 8.93 4.90 0.00 1.85 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 2.26 2.30 0.00 51 E 8.56 2.96 0.00 1.57 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 1.83 1.47 0.00 52 V 8.18 3.86 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 0.64 0.00 0.00 0.85 0.00 0.00 53 E 8.33 4.51 0.00 1.86 1.76 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 2.19 2.29 0.00 54 E 8.29 4.23 0.00 2.02 1.80 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 2.15 2.33 0.00