NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6383 8.3649 120.1920 54.1104 42.4165 174.6533 7 N 4.9751 8.3770 121.6942 50.2235 42.3364 172.2607 8 C 4.7622 9.3875 114.9066 59.1572 35.9621 174.0421 9 C 4.5284 8.3106 117.3479 59.1113 27.9439 173.0923 10 I 3.8891 7.5217 120.0488 62.4096 37.0038 175.8168 11 L 4.3463 7.8168 119.9041 53.9772 44.1059 176.0774 12 D 4.9522 8.0921 117.9901 53.7484 42.6126 176.4585 13 E 3.9947 7.9242 124.5776 59.1129 30.2294 180.0495 14 R 3.9038 7.9143 116.3659 58.8287 30.1326 177.4783 15 F 4.4118 9.9652 114.1941 56.0703 39.6312 177.4885 16 G 3.9689 7.8326 110.3063 45.2924 0.0000 173.2104 17 S 4.4162 8.3998 112.9147 59.4176 62.9626 174.4903 18 Y 4.8869 8.2672 122.1458 56.6236 40.0548 174.7063 19 C 4.9470 8.4269 119.4898 57.3087 32.2162 172.0196 20 P 4.6388 0.0000 0.0000 62.4511 32.4063 176.3582 21 T 4.6900 8.0788 108.5817 60.4113 72.9383 174.4299 22 T 3.8435 8.6464 119.7016 67.5933 68.2741 176.0874 23 C 4.2161 8.1634 118.1213 62.6596 28.1693 175.8701 24 G 3.9116 9.5324 108.1879 48.2468 0.0000 175.3960 25 I 3.7771 7.9758 121.6624 64.0299 36.9994 177.7836 26 A 4.0222 7.9793 121.5147 55.6840 18.0293 179.2660 27 D 4.3900 7.8920 116.9224 57.7647 40.9023 178.9616 28 F 3.9687 7.9765 122.3223 60.4406 39.2290 176.9913 29 L 4.2195 8.3334 120.2057 58.2803 41.6619 178.4902 30 S 4.1586 9.5379 113.4782 61.8080 62.0447 176.5067 31 T 3.7849 9.0856 113.1786 65.2722 68.8794 175.6089 32 Y 3.5203 8.9432 119.5636 60.2287 38.6295 178.0279 33 Q 4.0761 8.2837 119.8723 59.8680 29.9891 179.1096 34 T 3.8971 7.6303 118.5475 67.5102 68.2404 177.0881 35 K 3.8542 7.7631 125.1140 60.6576 31.5670 180.1516 36 V 3.7598 7.7044 118.6027 65.3456 31.1386 177.1891 37 D 4.3535 8.5223 117.0372 57.9654 41.2765 178.5872 38 K 3.7578 8.1444 118.8508 60.4967 31.9293 177.8829 39 D 4.3828 8.1160 117.7343 58.2477 40.9033 178.2165 40 L 3.9986 8.0457 119.0718 57.2371 41.0837 179.0549 41 Q 4.8307 9.0895 119.7037 59.0883 28.9807 179.7723 42 S 4.2961 8.1799 114.4214 60.6486 62.4112 175.7681 43 L 4.2304 7.8818 120.8990 57.2307 41.8935 178.3365 44 E 4.0406 9.0157 119.7727 59.7736 28.8486 177.2129 45 D 4.6474 7.9020 122.6454 54.5721 40.7287 175.9971 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 6 D 8.36 4.64 0.00 2.64 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 7 N 8.38 4.98 0.00 2.78 2.67 0.00 0.00 6.78 6.78 0.00 0.00 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 C 9.39 4.76 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.31 4.53 0.00 3.06 3.20 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 10 I 7.52 3.89 1.87 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 1.44 0.47 0.95 0.00 0.00 11 L 7.82 4.35 0.00 0.27 0.87 0.45 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.09 4.95 0.00 2.77 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 13 E 7.92 3.99 0.00 2.09 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 0.00 2.44 2.36 0.00 14 R 7.91 3.90 0.00 2.38 1.92 0.00 3.15 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 15 F 9.97 4.41 0.00 2.96 3.03 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 16 G 7.83 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 17 S 8.40 4.42 0.00 4.17 3.85 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 18 Y 8.27 4.89 0.00 2.72 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 19 C 8.43 4.95 0.00 2.80 2.83 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 20 P 0.00 4.64 0.00 2.00 1.99 0.00 3.60 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 1.97 2.05 0.00 21 T 8.08 4.69 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 22 T 8.65 3.84 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 1.20 0.00 0.00 23 C 8.16 4.22 0.00 2.97 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 24 G 9.53 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 25 I 7.98 3.78 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.86 0.00 0.00 26 A 7.98 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.39 0.00 2.72 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 28 F 7.98 3.97 0.00 3.33 3.24 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 29 L 8.33 4.22 0.00 1.85 1.76 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 S 9.54 4.16 0.00 4.13 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 31 T 9.09 3.78 4.10 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 Y 8.94 3.52 0.00 3.23 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 33 Q 8.28 4.08 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 34 T 7.63 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 35 K 7.76 3.85 0.00 1.71 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 36 V 7.70 3.76 2.30 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 0.93 0.00 0.00 0.83 0.00 0.00 37 D 8.52 4.35 0.00 2.85 2.83 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 38 K 8.14 3.76 0.00 1.88 1.98 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 39 D 8.12 4.38 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.00 0.00 1.82 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 9.09 4.83 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 42 S 8.18 4.30 0.00 3.94 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 43 L 7.88 4.23 0.00 1.76 1.70 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.02 4.04 0.00 2.12 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 2.34 2.54 0.00 45 D 7.90 4.65 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00