NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.3071 8.2493 123.5815 50.9504 19.8845 176.6017 7 P 4.2477 0.0000 0.0000 61.3517 31.7934 174.4623 8 D 4.8013 9.2507 122.9329 51.6228 42.9095 177.6883 9 F 3.9919 8.9070 119.5028 62.3717 39.0211 176.9605 10 H 4.1544 8.1778 114.8929 58.7234 28.3317 177.4788 11 D 4.3144 7.9963 119.9089 57.0732 40.7502 178.6938 12 K 3.7559 7.6787 117.7969 59.0450 32.4303 178.3154 13 Y 4.7276 7.8278 115.0038 57.2288 38.8054 177.7784 14 G 3.9885 7.7736 108.2756 48.4379 0.0000 175.5976 15 N 4.4496 8.1617 118.4501 55.3317 38.5832 177.5043 16 A 3.9680 7.8886 121.9679 55.0974 18.7386 179.3386 17 V 3.5548 7.7958 116.8256 66.2406 31.5365 177.9060 18 L 3.9643 7.9663 119.4904 58.1269 41.9164 178.8693 19 A 3.9877 8.0952 120.8207 55.2890 18.4123 179.6880 20 S 4.3542 8.7126 112.8532 60.6863 63.2787 176.9759 21 G 3.6143 8.3568 109.8304 47.7674 0.0000 175.5969 22 A 4.0644 8.0588 123.7922 55.0485 18.4025 179.8082 23 T 3.8454 8.1621 114.2652 66.7861 68.5633 176.6662 24 F 4.2180 8.5224 122.5105 61.3873 39.6168 176.2852 25 C 3.9515 8.3505 118.4644 62.8912 31.2927 175.9590 26 V 3.6464 7.8021 118.9585 65.7307 31.1081 177.7211 27 A 3.9946 8.1379 120.8194 55.3470 18.3598 180.0048 28 V 3.6581 7.7156 117.1415 64.0424 31.6095 178.6767 29 W 3.9314 8.1269 119.8466 59.4922 28.5838 178.4833 30 V 3.6709 7.9752 118.3005 66.3199 30.9765 177.4553 31 Y 4.0356 8.2184 119.1548 60.9144 38.4209 177.6909 32 M 3.8842 8.0370 117.9539 58.4861 32.4375 177.8687 33 A 4.7285 8.5966 120.4852 54.4994 18.6700 177.8967 34 T 4.6547 7.6010 103.3406 61.1955 70.1392 174.3860 35 Q 4.4412 8.0265 119.3692 55.4019 30.0129 175.5172 36 I 4.2530 7.6241 109.2701 60.1459 38.2792 175.6221 37 G 3.7811 8.1315 107.9772 46.3482 0.0000 173.9068 38 I 3.4749 7.4886 119.8062 60.6079 37.5708 175.5374 39 E 4.2998 8.1824 125.8661 54.6046 29.3349 175.7544 40 W 4.2139 8.7372 126.9876 57.3703 30.1644 176.0777 41 N 4.0935 8.3282 115.9426 53.9368 36.7307 170.8137 42 P 4.6156 0.0000 0.0000 61.5497 33.1641 176.7263 43 S 4.2150 8.3513 113.4523 57.7669 62.8161 172.4907 44 P 4.3072 0.0000 0.0000 65.0456 31.4492 176.6485 45 V 3.6795 7.2429 117.9026 64.5585 31.4104 176.3116 46 G 4.1033 9.0528 115.7172 45.3940 0.0000 173.7547 47 R 4.4095 8.1119 114.8414 56.1346 31.2926 176.4255 48 V 4.2013 7.5445 117.2061 61.1391 33.0000 174.9414 49 T 4.2856 8.3128 123.7422 61.6871 68.5011 173.0054 50 P 4.2721 0.0000 0.0000 62.9189 31.8639 175.7635 51 K 4.6647 8.3616 122.9771 53.8978 34.7664 175.3820 52 E 4.0357 8.8571 124.2559 56.8860 29.8624 176.8280 53 W 4.6805 8.0294 118.9947 57.3515 30.4877 175.4285 54 R 3.5534 6.3614 122.2243 56.0511 29.3169 175.7116 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 A 8.25 4.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.18 2.03 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 8 D 9.25 4.80 0.00 2.89 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 9 F 8.91 3.99 0.00 3.19 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 10 H 8.18 4.15 0.00 3.29 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.00 4.31 0.00 2.71 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 12 K 7.68 3.76 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 1.33 7.81 13 Y 7.83 4.73 0.00 2.05 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 14 G 7.77 3.99 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 0.00 0.00 0.00 15 N 8.16 4.45 0.00 2.75 2.89 0.00 0.00 6.93 7.30 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 16 A 7.89 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.55 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 1.09 0.00 0.00 1.13 0.00 0.00 18 L 7.97 3.96 0.00 1.94 1.84 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.10 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.35 0.00 4.05 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 0.00 21 G 8.36 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.85 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 24 F 8.52 4.22 0.00 3.20 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 3.95 0.00 3.27 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 26 V 7.80 3.65 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 27 A 8.14 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.66 1.67 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 0.28 0.00 0.00 0.74 0.00 0.00 29 W 8.13 3.93 0.00 3.57 3.36 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 0.00 30 V 7.98 3.67 2.28 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.22 4.04 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.04 3.88 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 33 A 8.60 4.73 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.65 4.26 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 0.00 0.00 0.00 1.24 0.00 0.00 35 Q 8.03 4.44 0.00 1.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 36 I 7.62 4.25 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.66 0.00 0.00 37 G 8.13 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.49 3.47 1.49 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.35 -0.35 0.00 0.00 39 E 8.18 4.30 0.00 1.82 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 2.20 2.35 0.00 40 W 8.74 4.21 0.00 3.37 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.33 4.09 0.00 2.80 2.83 0.00 0.00 7.20 7.14 0.00 0.00 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 P 0.00 4.62 0.00 2.24 2.09 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.35 4.22 0.00 3.86 3.82 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 44 P 0.00 4.31 0.00 2.22 2.09 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 45 V 7.24 3.68 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.05 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 0.00 0.00 0.00 0.00 47 R 8.11 4.41 0.00 1.87 2.03 0.00 3.06 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 48 V 7.54 4.20 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.31 4.29 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 50 P 0.00 4.27 0.00 2.08 2.07 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 51 K 8.36 4.66 0.00 1.71 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.86 4.04 0.00 1.98 1.82 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 2.31 2.23 0.00 53 W 8.03 4.68 0.00 3.55 3.19 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 0.00 54 R 6.36 3.55 0.00 0.67 1.18 0.00 3.21 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.97 0.00