NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6759 8.2827 119.2073 52.9401 39.2449 174.1288 3 K 3.7469 8.4022 125.7978 58.5903 32.3034 176.3676 4 G 3.7274 8.3820 107.0230 48.7393 0.0000 175.6627 5 Q 4.0995 8.6269 123.2583 59.7806 28.0607 180.2443 6 R 3.8195 8.1795 120.6784 59.6762 30.1253 178.4069 7 H 4.2044 8.4226 116.2021 58.8388 28.7823 177.7936 8 I 3.6984 7.8229 121.6896 64.3017 36.9392 178.3771 9 K 3.8968 8.1074 120.3913 59.3968 31.9513 178.7432 10 I 3.5757 7.8728 120.4446 64.5570 36.7505 178.4330 11 R 3.9009 7.9588 118.6757 59.2231 29.8822 178.8105 12 E 3.9773 7.9774 118.5841 59.3291 29.5775 178.7796 13 I 3.7156 8.1120 120.5461 64.4365 37.0211 178.2724 14 I 3.9484 7.7188 111.6595 63.3768 37.6238 177.6720 15 T 4.2109 7.3489 116.1572 65.4406 68.6980 176.0463 16 S 4.6235 7.9471 113.4830 57.9561 63.8850 173.4024 17 N 4.9801 7.2685 118.8146 52.0560 42.5493 174.5164 18 E 4.2968 8.4820 120.2057 55.2587 28.6624 175.2159 19 I 4.2351 7.9804 124.6920 60.2098 37.6136 176.8104 20 E 4.2840 9.3935 126.0633 57.2694 30.1871 177.6202 21 T 4.7458 7.6537 107.3398 58.9572 73.2639 174.3893 22 Q 4.1217 8.7666 122.4672 59.7316 29.1101 178.3925 23 D 4.3939 8.1680 119.3020 57.5254 40.8046 178.5478 24 E 4.0234 8.3773 119.0721 59.1850 29.4591 179.1305 25 L 3.9260 8.0354 120.4884 58.0183 42.1414 178.9414 26 V 3.5711 7.9105 118.3179 66.2795 31.3294 177.5630 27 D 4.3248 8.1537 117.4525 57.7023 41.0371 178.0892 28 M 4.0994 8.4565 119.5904 58.1499 31.8720 178.7956 29 L 3.9640 8.0596 119.2602 57.7973 41.8012 179.5909 30 K 4.6614 8.1333 119.7231 59.2240 31.7674 179.3126 31 Q 4.0751 8.2999 117.5427 58.6927 28.6298 177.7270 32 D 4.8944 7.8188 117.1913 53.9700 41.1351 177.3513 33 G 3.8850 8.2050 107.6566 45.4117 0.0000 173.5240 34 Y 4.0745 8.2843 118.3654 57.0618 38.6263 174.7751 35 K 4.6171 8.5515 124.0126 55.0124 32.8846 176.2865 36 V 4.5495 7.9552 116.5387 58.9386 35.9398 175.7020 37 T 4.3735 8.2139 113.5817 61.0091 71.3527 175.7994 38 Q 3.9593 8.5255 122.1484 59.3013 29.1473 178.2927 39 A 3.9857 7.9777 121.4533 55.2683 18.3892 179.6007 40 T 3.8258 7.9306 114.4837 66.8485 68.4513 177.1103 41 V 3.7789 7.7645 120.0163 65.9605 31.4950 178.1922 42 S 4.1767 8.3634 115.3860 61.6061 62.5861 176.6714 43 R 3.8866 8.0319 121.3148 59.3661 29.7315 178.2689 44 D 4.2931 8.4643 119.1293 57.4651 40.7150 178.7701 45 I 3.5094 7.8679 120.5067 64.1556 37.1742 178.4313 46 K 3.8174 7.9711 120.3362 59.4350 31.8404 178.5285 47 E 3.9308 8.1629 118.6045 59.3344 29.7157 178.5940 48 L 4.0132 8.0211 117.7582 55.5986 41.9561 176.6454 49 H 3.9913 7.8863 114.4659 56.4656 26.6381 175.0150 50 L 4.3510 7.4970 117.6175 55.4695 42.7311 177.7098 51 V 4.7409 8.5168 114.1941 59.6326 35.3969 174.5014 52 K 5.2269 8.6292 118.7977 55.3027 35.4616 176.4139 53 V 4.7378 8.6883 114.8834 58.8417 35.9378 173.6565 54 P 3.8309 0.0000 0.0000 62.5206 32.1110 175.8237 55 T 4.6293 8.3528 115.1231 60.4270 71.7283 175.2078 56 N 4.5834 8.7868 119.0140 53.3948 37.8203 175.6113 57 N 4.7117 8.0533 114.6369 53.5463 37.6486 174.9544 58 G 3.7270 8.0333 105.4424 47.1202 0.0000 172.9298 59 S 4.7330 7.2874 111.1793 57.1716 66.0039 171.8923 60 Y 5.1851 8.5148 114.3774 56.3829 42.4699 174.5571 61 K 4.8197 8.9394 119.7487 55.0345 36.4921 175.3802 62 Y 4.7874 8.4420 119.6624 58.9807 38.6657 175.7013 63 S 4.6905 9.1981 115.8755 56.4074 66.7448 173.9133 64 L 4.1382 8.5741 125.2629 55.5567 41.7915 176.7871 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 2 N 8.28 4.68 0.00 2.75 2.84 0.00 0.00 6.71 5.69 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 3 K 8.40 3.75 0.00 1.89 1.73 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.40 7.81 4 G 8.38 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 4.10 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 6 R 8.18 3.82 0.00 1.96 2.05 0.00 3.04 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 7 H 8.42 4.20 0.00 3.34 3.27 0.00 5.70 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 8 I 7.82 3.70 2.04 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 1.42 1.28 0.92 0.00 0.00 9 K 8.11 3.90 0.00 1.70 1.51 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.86 1.25 7.81 10 I 7.87 3.58 1.93 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 1.37 0.59 0.77 0.00 0.00 11 R 7.96 3.90 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 12 E 7.98 3.98 0.00 2.07 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 0.00 2.31 2.35 0.00 13 I 8.11 3.72 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 0.91 0.00 0.00 14 I 7.72 3.95 2.12 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 1.81 0.55 0.98 0.00 0.00 15 T 7.35 4.21 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 16 S 7.95 4.62 0.00 4.04 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 17 N 7.27 4.98 0.00 2.75 2.72 0.00 0.00 7.01 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 18 E 8.48 4.30 0.00 1.95 1.92 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 0.00 2.25 2.32 0.00 19 I 7.98 4.24 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.12 0.00 0.00 20 E 9.39 4.28 0.00 2.12 1.98 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 2.52 2.35 0.00 21 T 7.65 4.75 4.28 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 1.21 0.00 0.00 22 Q 8.77 4.12 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 23 D 8.17 4.39 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.02 0.00 2.27 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 2.36 2.35 0.00 25 L 8.04 3.93 0.00 1.77 1.77 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.91 3.57 2.26 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 1.04 0.00 0.00 0.99 0.00 0.00 27 D 8.15 4.32 0.00 2.88 2.66 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 0.00 28 M 8.46 4.10 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.85 0.00 29 L 8.06 3.96 0.00 1.87 1.73 0.85 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.13 4.66 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.54 7.81 31 Q 8.30 4.08 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.25 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 32 D 7.82 4.89 0.00 2.90 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 33 G 8.20 3.88 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 0.00 0.00 0.00 34 Y 8.28 4.07 0.00 3.24 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.55 4.62 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81 36 V 7.96 4.55 2.10 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 0.86 0.00 0.00 0.96 0.00 0.00 37 T 8.21 4.37 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 1.22 0.00 0.00 38 Q 8.53 3.96 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.27 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 39 A 7.98 3.99 1.32 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 0.00 0.00 40 T 7.93 3.83 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 1.22 0.00 0.00 41 V 7.76 3.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 42 S 8.36 4.18 0.00 4.02 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 43 R 8.03 3.89 0.00 1.97 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 44 D 8.46 4.29 0.00 2.81 2.60 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 0.00 0.00 0.00 45 I 7.87 3.51 1.91 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 0.88 1.07 0.84 0.00 0.00 46 K 7.97 3.82 0.00 1.96 1.92 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.32 7.81 47 E 8.16 3.93 0.00 2.05 2.02 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 2.33 2.37 0.00 48 L 8.02 4.01 0.00 1.63 1.65 0.79 0.99 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 49 H 7.89 3.99 0.00 3.29 3.40 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.50 4.35 0.00 1.51 1.80 0.66 0.96 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 51 V 8.52 4.74 2.13 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 0.85 0.00 0.00 0.98 0.00 0.00 52 K 8.63 5.23 0.00 1.55 1.80 0.00 1.43 0.00 0.00 1.50 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.26 7.81 53 V 8.69 4.74 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 0.85 0.00 0.00 0.93 0.00 0.00 54 P 0.00 3.83 0.00 1.65 1.37 0.00 3.54 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 55 T 8.35 4.63 4.17 0.00 0.00 0.00 0.00 0.00 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 56 N 8.79 4.58 0.00 2.77 2.75 0.00 0.00 6.72 7.99 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 57 N 8.05 4.71 0.00 2.80 2.91 0.00 0.00 6.14 6.98 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 58 G 8.03 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.29 4.73 0.00 3.84 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 60 Y 8.51 5.19 0.00 2.87 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 61 K 8.94 4.82 0.00 1.78 1.83 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.42 7.81 62 Y 8.44 4.79 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.20 4.69 0.00 3.91 3.69 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 64 L 8.57 4.14 0.00 1.63 1.56 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00