NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3567 8.3049 120.3491 53.0535 35.4186 178.4003 2 K 3.3642 9.1975 118.3428 54.4134 31.4474 171.2972 3 A 3.8920 8.9413 131.0978 52.6186 20.6065 177.7088 4 T 4.2382 8.7136 111.7478 62.8615 70.8585 175.1868 5 G 3.4764 8.0576 106.9335 45.8014 0.0000 174.2640 6 I 4.1838 7.3482 117.9346 58.7390 38.7857 174.6589 7 V 3.8258 8.1392 128.2844 62.3709 32.1191 175.2415 8 R 4.3803 8.2276 125.9896 54.3529 32.3821 174.4752 9 R 4.1950 9.2673 126.3556 56.3778 31.0226 177.2475 10 I 3.0117 7.4856 113.1864 61.8050 40.1230 176.8742 11 D 4.4724 8.4982 117.6618 53.2527 42.5840 176.9942 12 D 4.6256 8.3947 118.9503 54.2483 39.3751 175.2733 13 L 4.4322 9.2594 119.1448 57.5392 43.9915 175.7225 14 G 3.2968 8.4606 108.4430 45.0679 0.0000 173.6714 15 R 4.1476 8.0043 120.3323 55.4986 30.9528 176.1257 16 V 4.2627 7.9408 113.8741 59.4933 32.0988 176.7342 17 V 3.6433 8.1530 125.7464 62.6915 30.0451 175.1451 18 I 4.0774 7.9776 127.9619 59.2263 37.0548 174.4437 19 P 4.2830 0.0000 0.0000 62.7316 31.8688 177.8753 20 K 4.1025 8.7142 121.3956 59.4398 32.4491 178.9948 21 E 4.2288 8.1733 118.8600 59.1062 29.4222 178.8500 22 I 3.8737 7.7731 120.8196 63.9056 37.5335 178.1235 23 R 3.9244 7.9034 118.8592 58.9477 29.8416 178.4681 24 R 3.8536 8.4423 119.2324 59.8452 29.9872 178.7049 25 T 4.0776 7.5747 113.2236 66.1887 68.4265 176.2649 26 L 4.1234 7.8733 120.1444 55.3063 41.6590 177.4486 27 R 4.0071 8.1492 116.6030 57.2726 28.0975 175.7763 28 I 4.8920 7.7533 121.1176 60.5345 40.5119 173.5677 29 R 4.4817 7.8144 115.8222 56.9753 30.9204 176.4945 30 E 4.5066 8.8310 118.3877 56.9588 28.7059 177.6114 31 G 4.1534 8.3167 105.6750 45.4514 0.0000 172.7899 32 D 4.5652 8.2315 120.2723 52.5961 41.9110 173.9535 33 P 4.7723 0.0000 0.0000 62.5751 33.1625 175.0244 34 L 5.1976 8.2715 120.1480 53.2638 46.1758 175.4732 35 E 4.4445 9.5008 123.6945 54.8400 31.0870 175.2232 36 I 4.6810 8.4251 129.6076 60.7111 37.8230 175.7327 37 F 5.0534 9.2214 123.5321 55.3252 41.2118 174.5793 38 V 4.1638 8.5153 123.1626 61.2527 32.5270 175.7034 39 D 4.5128 8.8860 123.3472 56.6706 40.7263 176.6257 40 R 4.5229 7.0015 112.3011 55.7023 33.2494 175.0365 41 D 4.5881 8.0663 119.8640 54.5009 42.7079 178.2191 42 G 4.0583 9.0514 105.0985 45.4213 0.0000 171.8392 43 E 4.3198 8.1105 119.3664 54.8809 30.6785 175.1174 44 V 4.1756 8.2059 125.2743 61.8892 33.0460 174.9168 45 I 4.2037 8.4524 128.9683 59.5136 39.1235 174.4172 46 L 5.6757 8.3868 127.2088 52.2437 43.3801 175.8452 47 K 4.8262 8.5214 125.0014 53.9271 35.3105 177.0555 48 K 4.7870 9.0233 125.0893 57.9642 32.8834 176.3908 49 Y 4.1718 8.3796 125.2768 58.7163 38.1867 170.5554 50 S 3.6993 8.1858 112.0826 60.8065 62.5456 173.0847 51 P 4.6444 0.0000 0.0000 61.7816 32.2699 176.2415 52 I 3.0677 7.4436 121.2498 63.4119 36.3186 175.5627 53 S 4.4649 8.9169 120.1296 61.8475 63.3073 176.0427 54 E 4.5352 8.2518 114.1562 55.7159 30.2900 174.8253 55 L 3.9449 8.0212 125.5911 55.9359 42.4628 174.2974 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 4.36 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 K 9.20 3.36 0.00 1.99 1.63 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.45 7.81 3 A 8.94 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.71 4.24 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 5 G 8.06 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.35 4.18 1.87 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 1.29 0.82 0.90 0.00 0.00 7 V 8.14 3.83 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 0.76 0.00 0.00 0.92 0.00 0.00 8 R 8.23 4.38 0.00 1.72 1.73 0.00 3.51 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 9 R 9.27 4.19 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 10 I 7.49 3.01 1.86 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 1.09 1.34 0.93 0.00 0.00 11 D 8.50 4.47 0.00 2.90 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 12 D 8.39 4.63 0.00 2.79 2.81 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 13 L 9.26 4.43 0.00 1.63 1.86 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.46 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 0.00 0.00 0.00 15 R 8.00 4.15 0.00 1.93 1.84 0.00 3.34 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 16 V 7.94 4.26 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 0.77 0.00 0.00 0.92 0.00 0.00 17 V 8.15 3.64 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 0.75 0.00 0.00 0.93 0.00 0.00 18 I 7.98 4.08 1.87 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 1.63 0.93 0.91 0.00 0.00 19 P 0.00 4.28 0.00 2.17 2.00 0.00 3.60 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 20 K 8.71 4.10 0.00 1.94 2.08 0.00 1.52 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 21 E 8.17 4.23 0.00 2.21 2.25 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 2.36 2.40 0.00 22 I 7.77 3.87 1.87 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 1.40 0.48 0.91 0.00 0.00 23 R 7.90 3.92 0.00 1.85 1.93 0.00 3.56 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 24 R 8.44 3.85 0.00 1.91 2.04 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 25 T 7.57 4.08 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 1.21 0.00 0.00 26 L 7.87 4.12 0.00 1.77 1.72 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.15 4.01 0.00 1.92 2.05 0.00 3.15 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 28 I 7.75 4.89 1.89 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 1.36 0.66 0.93 0.00 0.00 29 R 7.81 4.48 0.00 1.91 2.02 0.00 3.14 0.00 0.00 3.39 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 30 E 8.83 4.51 0.00 1.97 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 2.37 0.00 31 G 8.32 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.23 4.57 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.60 2.32 0.00 3.60 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 34 L 8.27 5.20 0.00 1.48 1.55 0.93 0.92 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 35 E 9.50 4.44 0.00 2.13 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 0.00 2.46 2.32 0.00 36 I 8.43 4.68 1.89 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 1.40 0.54 0.92 0.00 0.00 37 F 9.22 5.05 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 38 V 8.52 4.16 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 0.69 0.00 0.00 1.00 0.00 0.00 39 D 8.89 4.51 0.00 2.50 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.00 4.52 0.00 1.90 1.80 0.00 3.07 0.00 0.00 3.15 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 41 D 8.07 4.59 0.00 2.63 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 42 G 9.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.32 0.00 1.95 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 0.00 2.27 2.20 0.00 44 V 8.21 4.18 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 0.84 0.00 0.00 0.89 0.00 0.00 45 I 8.45 4.20 0.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.12 0.64 0.00 0.00 46 L 8.39 5.68 0.00 1.49 1.59 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.52 4.83 0.00 1.84 1.77 0.00 1.94 0.00 0.00 2.02 0.00 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.55 1.45 7.81 48 K 9.02 4.79 0.00 1.94 2.01 0.00 1.35 0.00 0.00 2.31 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 49 Y 8.38 4.17 0.00 3.19 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 50 S 8.19 3.70 0.00 3.84 3.86 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 51 P 0.00 4.64 0.00 2.24 2.22 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 52 I 7.44 3.07 1.86 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 1.36 0.35 0.93 0.00 0.00 53 S 8.92 4.46 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.25 4.54 0.00 2.06 2.01 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 2.20 2.31 0.00 55 L 8.02 3.94 0.00 1.77 1.63 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00