NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4311 8.1727 120.0215 56.9859 34.8363 177.5303 2 E 3.7483 8.1922 120.2903 58.2640 29.2564 176.7306 3 A 4.1079 8.8541 121.8833 55.5472 18.8166 178.5029 4 C 4.1594 8.1978 113.8489 63.2291 28.3413 176.2934 5 D 4.3958 8.5229 120.4325 57.1632 40.4112 178.6630 6 W 4.1667 8.5516 128.9883 60.3761 30.6788 177.9615 7 L 3.7303 8.6466 119.5055 57.6924 40.9018 179.3429 8 R 3.8454 8.3778 118.7046 59.5376 29.7730 178.4855 9 A 3.9886 7.5106 119.1824 55.3212 18.4588 179.3011 10 T 3.5999 7.2739 110.7464 63.2392 67.2507 174.9723 11 G 4.0592 7.2585 108.0708 45.9263 0.0000 174.2932 12 F 4.9732 8.3039 116.0123 55.1739 38.6366 175.1531 13 P 4.3757 0.0000 0.0000 65.5931 31.5634 178.3384 14 Q 4.0200 8.1530 117.3787 59.8827 28.0068 178.4554 15 Y 4.4134 7.8262 116.6083 60.1304 38.1343 177.5596 16 A 4.2921 8.1429 121.6665 55.2950 18.7085 179.2476 17 Q 3.9607 8.5751 118.4947 59.2192 29.1151 178.1201 18 L 3.9780 8.1007 121.4702 58.2376 41.4496 178.2889 19 Y 4.4760 7.9497 119.7449 60.8871 38.5120 177.8566 20 E 4.2031 8.1739 117.7840 58.0855 29.9050 176.4110 21 D 4.4557 7.7512 119.2370 53.8972 41.6265 177.5134 22 F 4.4572 7.3732 109.7685 57.7023 37.6677 176.7743 23 L 4.1266 7.0926 121.9750 57.2858 41.6265 177.1487 24 F 5.0581 7.0794 111.7165 54.4136 40.6533 172.2576 25 P 4.6763 0.0000 0.0000 62.5048 32.1941 175.6211 26 I 4.5171 8.1452 113.5670 59.5118 39.6349 177.0215 27 D 4.6197 8.2838 121.4138 53.7222 38.8513 176.7692 28 I 3.6397 8.1821 125.5377 64.6382 37.1433 177.4469 29 S 4.0839 8.0051 111.9847 61.1542 62.5117 175.5680 30 L 4.0952 7.7527 122.7150 58.0757 42.0640 178.6989 31 V 3.5884 7.7405 118.2477 66.1976 31.1665 178.1186 32 K 4.1899 8.2283 117.0522 59.3865 31.6278 179.1070 33 R 4.1992 7.9975 118.6259 59.0411 29.8767 178.6842 34 E 4.2744 8.1438 117.3286 58.4319 29.5540 177.0210 35 H 5.4102 7.9629 111.7424 55.0268 29.1298 174.9363 36 D 4.5488 8.6631 120.9077 56.3275 39.2630 177.2014 37 F 4.3178 8.5144 115.0082 58.9477 38.0008 175.2731 38 L 4.0676 6.2295 120.1792 53.6756 42.2782 176.5030 39 D 4.5313 7.9595 119.0203 53.9142 42.8681 177.9281 40 R 4.0543 8.4893 120.3375 58.7676 29.8762 179.0390 41 D 4.3114 8.0596 118.8196 57.4180 40.8964 178.2253 42 A 4.2015 7.9230 120.2741 54.4870 18.6376 179.4953 43 I 3.7401 7.6598 118.6491 64.7068 37.1305 178.2456 44 E 3.9415 8.5622 119.4516 59.3088 29.3122 179.3522 45 A 3.7006 7.7119 120.7215 54.9796 18.4800 179.3837 46 L 4.3560 8.3186 118.8940 58.7189 42.2767 178.8201 47 C 4.1008 8.6907 116.9466 62.8796 28.1048 176.0572 48 R 3.8131 8.1113 120.2158 59.5338 29.6413 178.8429 49 R 3.8407 7.9355 117.6004 59.3895 30.0900 179.1699 50 L 4.0304 8.4484 119.0830 57.6903 41.5588 179.3126 51 N 4.3470 8.8169 116.9258 56.2161 38.4102 177.5451 52 T 3.8229 7.8915 117.4948 66.4745 68.4889 176.5828 53 L 3.7319 7.5290 120.3110 57.8303 41.6777 179.3287 54 N 4.3659 8.3372 116.5981 56.1864 38.2520 177.2491 55 K 3.8938 8.2628 120.3029 59.8186 32.2935 178.0508 56 C 4.2654 8.0671 117.7380 62.2926 31.5794 175.0363 57 A 4.6342 7.9729 123.0770 53.7151 18.9381 178.0963 58 V 4.5166 7.8124 109.0005 60.8430 32.8477 177.5429 59 M 4.4795 7.7877 117.0225 54.6300 29.5694 176.8956 60 K 4.0402 7.8676 122.0193 57.6934 32.1926 177.3922 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 K 8.17 4.43 0.00 2.00 2.22 0.00 1.55 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.43 7.81 2 E 8.19 3.75 0.00 2.15 1.99 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 2.40 2.46 0.00 3 A 8.85 4.11 1.26 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 0.00 0.00 0.00 4 C 8.20 4.16 0.00 3.26 3.14 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 0.00 0.00 0.00 0.00 5 D 8.52 4.40 0.00 2.78 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 6 W 8.55 4.17 0.00 3.42 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 7 L 8.65 3.73 0.00 2.04 2.02 1.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.38 3.85 0.00 2.17 1.98 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 9 A 7.51 3.99 1.29 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 0.00 0.00 0.00 10 T 7.27 3.60 3.28 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 0.29 0.00 0.00 11 G 7.26 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 12 F 8.30 4.97 0.00 2.81 2.33 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 0.00 13 P 0.00 4.38 0.00 2.28 2.33 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 14 Q 8.15 4.02 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.40 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 15 Y 7.83 4.41 0.00 3.13 3.07 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 16 A 8.14 4.29 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 3.96 0.00 2.20 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 18 L 8.10 3.98 0.00 2.03 1.90 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.95 4.48 0.00 3.04 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 20 E 8.17 4.20 0.00 2.09 1.95 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 2.37 2.49 0.00 21 D 7.75 4.46 0.00 2.54 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.37 4.46 0.00 3.31 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.09 4.13 0.00 1.64 1.81 0.56 0.47 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 24 F 7.08 5.06 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 25 P 0.00 4.68 0.00 2.26 2.15 0.00 3.93 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 2.08 2.02 0.00 26 I 8.15 4.52 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.93 0.00 0.00 27 D 8.28 4.62 0.00 2.72 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 28 I 8.18 3.64 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 0.92 0.00 0.00 29 S 8.01 4.08 0.00 3.87 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 30 L 7.75 4.10 0.00 1.73 1.84 0.93 0.90 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 31 V 7.74 3.59 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 1.02 0.00 0.00 0.71 0.00 0.00 32 K 8.23 4.19 0.00 1.97 1.92 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.60 7.81 33 R 8.00 4.20 0.00 2.13 2.01 0.00 3.21 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 34 E 8.14 4.27 0.00 2.16 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 2.39 2.47 0.00 35 H 7.96 5.41 0.00 3.74 3.68 0.00 5.29 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.66 4.55 0.00 2.84 3.04 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 37 F 8.51 4.32 0.00 3.20 3.26 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 0.00 38 L 6.23 4.07 0.00 1.25 0.42 0.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.96 4.53 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.05 0.00 1.83 1.98 0.00 3.13 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 41 D 8.06 4.31 0.00 2.67 2.71 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 0.00 0.00 0.00 42 A 7.92 4.20 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.74 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.96 0.00 0.00 44 E 8.56 3.94 0.00 2.19 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 2.32 2.45 0.00 45 A 7.71 3.70 1.08 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 46 L 8.32 4.36 0.00 2.28 1.94 1.53 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.69 4.10 0.00 3.07 2.98 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 48 R 8.11 3.81 0.00 1.88 1.93 0.00 3.08 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 49 R 7.94 3.84 0.00 2.21 2.10 0.00 2.86 0.00 0.00 2.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 50 L 8.45 4.03 0.00 1.67 1.64 0.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.82 4.35 0.00 2.86 2.84 0.00 0.00 6.90 6.91 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 52 T 7.89 3.82 4.30 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 1.03 0.00 0.00 53 L 7.53 3.73 0.00 1.85 1.71 0.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.34 4.37 0.00 2.86 2.88 0.00 0.00 6.87 8.09 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 55 K 8.26 3.89 0.00 1.71 2.09 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.59 7.81 56 C 8.07 4.27 0.00 3.26 3.31 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 57 A 7.97 4.63 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 4.52 2.12 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 0.91 0.00 0.00 1.01 0.00 0.00 59 M 7.79 4.48 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 60 K 7.87 4.04 0.00 1.77 1.80 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81