NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1426 8.0249 114.2598 60.5721 38.7962 174.6151 4 K 4.4624 8.8944 124.0419 54.0992 34.0049 171.1984 5 V 4.2862 8.9015 122.5570 62.3804 34.5518 173.1066 6 R 4.7245 8.3510 125.7461 55.0017 34.1073 174.4019 7 E 4.6949 8.2741 118.7475 54.9780 32.1955 174.8103 8 N 4.5691 8.6760 119.8688 52.4854 38.5691 174.5066 9 E 3.6825 8.7264 114.5968 56.0072 26.0268 172.9142 10 P 4.1361 0.0000 0.0000 62.4948 32.1318 176.3919 11 F 4.6497 7.0829 109.0354 56.4634 39.7490 175.0112 12 D 4.6866 8.9010 125.1206 51.7806 38.5820 175.6831 13 V 4.2425 6.6643 117.6125 61.0395 33.5375 172.1398 14 A 4.8245 8.4896 124.6349 50.3451 21.7024 177.6003 15 L 4.5133 8.3676 122.4944 54.5818 39.7894 177.2105 16 R 4.1315 8.0058 121.3935 59.0946 31.1704 179.5393 17 R 3.9967 8.2659 116.6189 59.0709 30.4474 178.4384 18 F 4.6039 8.1705 119.8813 61.0528 39.6494 176.5045 19 K 3.8326 7.9577 119.0762 59.2374 32.8847 178.1344 20 R 4.1232 7.3632 116.1199 56.5857 29.4561 176.4407 21 S 4.7184 7.6581 110.5712 57.3260 63.5380 173.1948 22 C 4.5855 7.4968 119.4903 58.5928 34.6960 178.0931 23 E 4.4001 8.4957 126.2011 53.1005 30.4705 176.4813 24 K 3.2681 8.6461 126.0250 57.9263 31.9746 175.0866 25 A 4.3481 8.3561 120.1431 52.7868 18.6451 178.6746 26 G 4.0671 8.7321 106.9381 45.9851 0.0000 173.5113 27 V 4.2118 6.9731 116.4501 63.6756 34.2318 177.1231 28 L 3.9211 8.1401 122.1537 57.7561 41.6913 179.5924 29 A 4.1698 7.8374 119.2790 54.9201 18.9696 178.3628 30 E 4.0619 8.1118 116.0116 58.7909 30.9573 178.1966 31 V 4.0562 7.6719 119.6742 61.1650 29.7774 175.5950 32 R 4.7065 7.6815 115.4466 56.1204 33.8132 174.7768 33 R 4.6401 7.5133 116.3593 56.6898 30.0917 175.8497 34 R 4.2566 7.9388 116.5463 54.0621 33.0291 173.5240 35 E 3.6441 8.2544 120.8740 56.0034 28.8649 175.7054 36 F 4.7362 7.6856 120.3517 55.8132 38.7874 179.6653 37 Y 3.8768 7.7923 119.5956 59.9919 40.4955 171.8189 38 E 4.6321 7.5611 120.6523 56.2318 30.0934 178.5483 39 K 4.2921 8.7617 119.8267 57.6830 33.4404 175.0795 40 P 4.1939 0.0000 0.0000 66.1663 31.4313 178.2310 41 T 3.5067 7.9808 109.4005 64.2181 68.0247 175.0388 42 T 4.5720 7.0732 116.3124 62.9552 68.9501 174.1315 43 E 4.7054 7.5070 121.4260 57.6664 35.6850 177.2020 44 R 3.8293 9.1118 120.0910 59.0894 30.2342 177.8108 45 K 4.4346 7.9536 114.4759 56.8264 32.0841 177.6412 46 R 4.4877 8.3697 117.2213 56.0435 30.8469 176.9908 47 A 4.2857 7.6961 121.6287 53.9384 18.8917 179.8259 48 K 4.0307 7.9618 117.2261 59.9259 32.6497 179.0416 49 A 4.1026 8.0024 120.7523 54.4596 18.3344 177.9333 50 S 4.6640 7.3850 110.0463 58.7025 63.2307 174.6257 51 A 4.6980 8.4481 120.0722 51.7225 20.1491 177.9668 52 V 4.1484 7.4890 116.5022 62.5889 32.8555 176.2248 53 K 4.0090 7.7703 124.1999 57.2749 32.9040 174.3766 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 3 I 8.02 4.14 1.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.32 0.00 0.00 4 K 8.89 4.46 0.00 1.93 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 5 V 8.90 4.29 2.18 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 0.77 0.00 0.00 1.07 0.00 0.00 6 R 8.35 4.72 0.00 1.79 1.76 0.00 3.30 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 7 E 8.27 4.69 0.00 2.22 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 2.23 2.37 0.00 8 N 8.68 4.57 0.00 2.89 2.91 0.00 0.00 6.30 7.66 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 9 E 8.73 3.68 0.00 2.17 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 0.00 2.27 2.37 0.00 10 P 0.00 4.14 0.00 2.09 1.98 0.00 3.83 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 2.00 1.95 0.00 11 F 7.08 4.65 0.00 3.11 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 12 D 8.90 4.69 0.00 2.73 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 13 V 6.66 4.24 2.20 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 0.96 0.00 0.00 1.01 0.00 0.00 14 A 8.49 4.82 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 15 L 8.37 4.51 0.00 1.73 1.73 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.01 4.13 0.00 1.91 2.01 0.00 3.18 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 17 R 8.27 4.00 0.00 1.99 2.08 0.00 3.24 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 18 F 8.17 4.60 0.00 2.89 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 19 K 7.96 3.83 0.00 1.86 1.87 0.00 1.53 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.43 7.81 20 R 7.36 4.12 0.00 1.90 1.99 0.00 3.43 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 21 S 7.66 4.72 0.00 3.94 4.04 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 0.00 0.00 0.00 22 C 7.50 4.59 0.00 2.97 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 23 E 8.50 4.40 0.00 1.88 1.71 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 2.21 2.17 0.00 24 K 8.65 3.27 0.00 1.83 1.37 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 25 A 8.36 4.35 1.28 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 0.00 0.00 0.00 26 G 8.73 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.97 4.21 2.16 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 1.11 0.00 0.00 1.10 0.00 0.00 28 L 8.14 3.92 0.00 1.68 1.75 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.84 4.17 1.30 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 30 E 8.11 4.06 0.00 2.12 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 2.35 2.46 0.00 31 V 7.67 4.06 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 0.97 0.00 0.00 32 R 7.68 4.71 0.00 1.82 1.91 0.00 3.25 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 33 R 7.51 4.64 0.00 1.94 1.48 0.00 3.74 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 34 R 7.94 4.26 0.00 1.66 1.60 0.00 3.23 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 35 E 8.25 3.64 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 36 F 7.69 4.74 0.00 3.23 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 37 Y 7.79 3.88 0.00 3.04 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 38 E 7.56 4.63 0.00 2.04 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 2.30 2.18 0.00 39 K 8.76 4.29 0.00 1.71 1.57 0.00 1.21 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 1.04 7.81 40 P 0.00 4.19 0.00 2.33 2.34 0.00 4.08 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 2.17 2.17 0.00 41 T 7.98 3.51 4.16 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 1.09 0.00 0.00 42 T 7.07 4.57 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 43 E 7.51 4.71 0.00 2.07 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 2.30 0.00 44 R 9.11 3.83 0.00 1.73 1.98 0.00 3.15 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 45 K 7.95 4.43 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 46 R 8.37 4.49 0.00 1.87 1.91 0.00 3.21 0.00 0.00 3.20 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 47 A 7.70 4.29 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 48 K 7.96 4.03 0.00 2.03 2.07 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 49 A 8.00 4.10 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 50 S 7.38 4.66 0.00 3.90 3.87 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 0.00 0.00 0.00 51 A 8.45 4.70 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 52 V 7.49 4.15 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 0.82 0.00 0.00 0.93 0.00 0.00 53 K 7.77 4.01 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.22 7.81