NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8826 8.2827 119.7306 53.0151 40.7206 171.4819 2 L 4.9920 8.3642 117.4299 55.0279 43.7600 174.9178 3 F 5.4422 9.7123 124.7818 55.6003 44.2927 173.6847 4 V 5.0260 8.9201 118.9059 59.8831 34.8855 174.6468 5 A 4.6592 9.0175 126.2584 51.9467 18.8159 178.4091 6 L 4.0536 8.8387 123.8949 57.1342 42.2970 176.6200 7 Y 4.9593 7.3025 113.6247 56.2347 42.4138 174.5581 8 D 4.9987 8.8479 120.6817 54.5312 42.0321 176.0749 9 F 5.0573 9.4796 124.3526 56.7107 43.0176 173.0907 10 V 4.3524 7.8343 125.6914 60.6450 32.6935 175.1203 11 A 4.0002 8.6573 130.6463 52.1941 18.8713 177.2513 12 S 4.4771 9.1497 115.6278 57.7816 63.8888 175.3725 13 G 3.7182 7.8203 109.7712 46.5438 0.0000 173.0370 14 D 4.4118 9.1922 114.6871 55.6409 38.3954 174.1588 15 N 4.3721 8.3297 111.6738 54.1885 36.1730 174.8135 16 T 4.7970 7.6293 108.0411 61.3890 69.7087 173.3820 17 L 4.8727 8.7329 124.7763 53.3007 44.3320 176.2445 18 S 4.7564 8.8482 122.5056 58.7816 63.7113 173.6353 19 I 5.0174 9.2765 124.0166 60.0565 41.8870 174.2395 20 T 5.0587 8.5741 120.6648 61.1843 71.4744 174.0649 21 K 4.0733 9.2510 126.7645 58.6708 32.4020 176.7775 22 G 4.0238 9.0978 115.7717 45.0344 0.0000 173.2814 23 E 4.1586 8.5157 121.8907 56.2777 30.6257 176.3623 24 K 5.0955 8.5670 125.5424 56.0586 33.9672 175.6422 25 L 4.6171 8.9163 121.1143 55.1800 44.2139 173.4783 26 R 5.6852 8.7876 120.7882 54.2257 32.4710 174.7516 27 V 4.2609 8.2643 125.3777 61.5230 32.2152 175.1684 28 L 4.1891 8.6005 128.4411 56.1105 43.0240 176.6871 29 G 3.7713 6.4828 105.0204 45.8308 0.0000 170.8970 30 Y 5.2855 8.3904 115.7424 55.9250 41.6536 175.4070 31 N 4.9101 8.8048 119.8838 51.7968 39.4068 175.4518 32 H 4.1039 9.1452 113.4221 58.9492 27.7737 175.8394 33 N 4.4570 7.6406 115.4064 51.5249 37.5461 176.2954 34 G 4.0796 8.0983 106.5697 46.2946 0.0000 174.7906 35 E 4.0380 7.8838 119.0360 58.0483 30.6882 176.8451 36 W 5.4236 8.7242 118.9567 55.0235 32.3673 174.8705 37 C 5.1599 9.5085 123.0221 57.5690 34.5990 172.5088 38 E 3.8748 9.0327 128.0711 55.5519 29.7460 175.0423 39 A 4.9199 8.7520 129.9727 50.4385 21.9413 175.4752 40 Q 4.5868 8.9430 121.3908 54.7750 32.0236 174.4335 41 T 4.9496 8.6227 118.3475 59.5128 71.2819 174.3515 42 K 4.1175 8.7731 119.9429 59.6760 32.7128 177.6479 43 N 4.5852 7.9789 114.9696 53.5753 38.4456 174.2443 44 G 4.0601 7.6082 105.9399 45.4898 0.0000 171.6326 45 Q 4.8686 8.3808 115.7348 54.1016 31.8402 174.4120 46 G 3.9805 7.8668 108.6454 45.8091 0.0000 171.2842 47 W 5.1151 8.2164 120.3312 56.7307 30.1552 176.5804 48 V 4.6936 9.3128 116.4843 58.6780 36.3906 173.3066 49 P 4.0434 0.0000 0.0000 62.3582 31.4732 177.8562 50 S 4.2279 8.8133 120.4850 61.7832 62.9399 175.6948 51 N 4.9447 8.1215 114.3886 53.5877 37.2491 174.7159 52 Y 4.9935 8.2496 116.3239 58.3943 39.2489 174.9787 53 I 5.2413 7.6376 110.9823 59.6270 41.2042 174.5206 54 T 4.8728 8.7440 116.0682 59.9487 71.1464 171.1829 55 P 3.9225 0.0000 0.0000 62.3876 31.9221 176.7754 56 V 3.6937 8.0443 116.9531 61.3303 32.4418 175.6641 57 N 4.1524 8.5356 118.0951 54.8888 35.6412 174.6890 58 S 4.2301 7.7522 116.1726 58.4849 63.2588 173.9739 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 N 8.28 4.88 0.00 2.43 2.82 0.00 0.00 6.28 5.79 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 2 L 8.36 4.99 0.00 1.79 1.55 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.71 5.44 0.00 3.01 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 4 V 8.92 5.03 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 0.71 0.00 0.00 0.98 0.00 0.00 5 A 9.02 4.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.84 4.05 0.00 0.52 0.60 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.30 4.96 0.00 2.52 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 8 D 8.85 5.00 0.00 2.67 2.72 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 0.00 0.00 0.00 9 F 9.48 5.06 0.00 3.25 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 10 V 7.83 4.35 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 0.74 0.00 0.00 0.89 0.00 0.00 11 A 8.66 4.00 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 12 S 9.15 4.48 0.00 3.93 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 13 G 7.82 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.19 4.41 0.00 2.68 2.59 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 15 N 8.33 4.37 0.00 3.14 3.06 0.00 0.00 6.76 7.05 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 16 T 7.63 4.80 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 17 L 8.73 4.87 0.00 1.71 1.66 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.85 4.76 0.00 3.83 3.80 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 19 I 9.28 5.02 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 1.02 0.00 0.00 20 T 8.57 5.06 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 K 9.25 4.07 0.00 1.81 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 G 9.10 4.02 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 0.00 0.00 0.00 23 E 8.52 4.16 0.00 2.08 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 2.34 2.32 0.00 24 K 8.57 5.10 0.00 1.70 1.75 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 L 8.92 4.62 0.00 1.69 1.74 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.79 5.69 0.00 1.89 1.89 0.00 3.11 0.00 0.00 3.45 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 27 V 8.26 4.26 1.68 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 0.28 0.00 0.00 -0.32 0.00 0.00 28 L 8.60 4.19 0.00 1.25 1.54 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.48 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 30 Y 8.39 5.29 0.00 3.04 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 31 N 8.80 4.91 0.00 2.80 2.75 0.00 0.00 7.03 7.92 0.00 0.00 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 H 9.15 4.10 0.00 3.31 3.49 0.00 5.52 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 33 N 7.64 4.46 0.00 2.82 2.89 0.00 0.00 6.10 7.29 0.00 0.00 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 8.10 4.08 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 0.00 0.00 0.00 35 E 7.88 4.04 0.00 1.79 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 36 W 8.72 5.42 0.00 3.28 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 37 C 9.51 5.16 0.00 3.02 2.91 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 38 E 9.03 3.87 0.00 1.16 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 1.78 1.86 0.00 39 A 8.75 4.92 1.18 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 40 Q 8.94 4.59 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.46 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 41 T 8.62 4.95 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 1.26 0.00 0.00 42 K 8.77 4.12 0.00 1.89 1.99 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.38 7.81 43 N 7.98 4.59 0.00 2.83 2.98 0.00 0.00 5.80 7.00 0.00 0.00 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 G 7.61 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 45 Q 8.38 4.87 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.12 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 46 G 7.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.22 5.12 0.00 3.01 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 48 V 9.31 4.69 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 0.88 0.00 0.00 0.90 0.00 0.00 49 P 0.00 4.04 0.00 1.45 1.24 0.00 2.68 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.85 0.00 50 S 8.81 4.23 0.00 3.97 4.09 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 51 N 8.12 4.94 0.00 2.92 2.96 0.00 0.00 5.93 7.55 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 52 Y 8.25 4.99 0.00 3.10 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 53 I 7.64 5.24 2.09 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.99 0.00 0.00 54 T 8.74 4.87 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 1.17 0.00 0.00 55 P 0.00 3.92 0.00 1.70 1.43 0.00 3.58 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.29 0.00 56 V 8.04 3.69 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 0.59 0.00 0.00 0.90 0.00 0.00 57 N 8.54 4.15 0.00 2.80 2.85 0.00 0.00 6.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.75 4.23 0.00 3.85 3.67 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