NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5574 8.2233 120.1870 53.9771 42.4501 175.2306 2 L 3.7823 8.4858 115.3813 57.7653 41.2473 177.9762 3 C 4.3255 8.3883 118.2246 59.4858 42.1791 174.3542 4 E 3.8806 8.1806 120.0188 59.7778 29.2119 178.7983 5 Q 4.0448 8.6464 118.2023 59.3569 28.8425 179.6306 6 S 4.4475 8.4920 114.6848 61.0299 62.7862 176.5878 7 A 3.9278 7.7357 124.5940 54.9729 18.0640 179.3874 8 L 3.8930 8.0883 118.2355 58.2962 42.2100 177.8694 9 Q 4.2313 8.5780 114.4324 55.4117 29.2158 174.4196 10 C 3.9623 7.6933 119.0714 57.0761 39.9113 171.7759 11 N 4.8241 8.9118 119.3896 49.7422 39.5326 173.6882 12 E 3.8442 8.8183 124.7280 59.2142 29.6370 177.9671 13 Q 3.9175 8.1682 118.7404 59.1223 29.2929 177.9565 14 G 2.9646 8.3070 106.8676 48.0540 0.0000 174.7420 15 C 4.4637 8.5279 118.9815 59.5094 39.8479 175.4929 16 H 4.2817 7.5406 116.2070 57.1172 29.0116 176.4298 17 N 4.4851 7.9303 118.1138 55.6162 39.2170 176.0563 18 F 4.7655 7.8942 117.6180 60.1236 39.6682 176.2046 19 C 4.5344 8.0050 116.3416 56.4993 38.4808 174.2085 20 S 4.4885 8.3600 118.0044 57.2789 64.7414 173.5057 21 P 4.4066 0.0000 0.0000 65.6570 30.7954 178.2102 22 E 4.0972 7.8043 117.8777 59.5855 29.8744 178.5019 23 D 4.4621 8.2350 118.2155 57.1384 40.9651 178.3393 24 K 4.1865 8.6501 121.5711 59.4612 32.3109 176.2234 25 P 4.1656 0.0000 0.0000 65.9090 29.8551 178.3144 26 G 3.7395 8.1157 105.3113 47.9880 0.0000 175.0628 27 C 4.2625 8.5346 120.8853 58.5967 42.0108 175.3664 28 L 3.7014 8.5068 121.7292 58.1424 41.7185 179.3581 29 G 3.6482 7.4132 104.2076 48.1335 0.0000 174.9612 30 M 4.1718 7.4780 119.4381 58.4837 32.1593 178.2747 31 V 3.6294 7.9809 117.2698 66.1163 31.7814 177.8571 32 W 4.6832 8.7565 117.1788 58.1349 28.9964 175.8105 33 N 4.4912 8.1736 118.9412 52.6411 38.2379 173.7407 34 P 4.6182 0.0000 0.0000 64.5648 31.6107 177.4566 35 E 4.0866 8.6141 118.7911 58.7975 29.6366 177.6932 36 L 4.3441 8.1890 117.3099 55.9851 42.9417 176.3810 37 C 4.8207 7.7977 124.1976 53.8106 44.2874 171.8363 38 P 4.4429 0.0000 0.0000 62.7674 31.1413 176.5200 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 D 8.22 4.56 0.00 2.74 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 2 L 8.49 3.78 0.00 1.48 0.88 -0.18 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.39 4.33 0.00 3.03 3.06 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 4 E 8.18 3.88 0.00 2.11 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 0.00 2.39 2.50 0.00 5 Q 8.65 4.04 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 6 S 8.49 4.45 0.00 4.35 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 0.00 7 A 7.74 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.89 0.00 1.58 1.88 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.58 4.23 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.35 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 10 C 7.69 3.96 0.00 3.08 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 11 N 8.91 4.82 0.00 2.71 2.67 0.00 0.00 6.95 7.95 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 12 E 8.82 3.84 0.00 2.22 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 0.00 2.46 2.71 0.00 13 Q 8.17 3.92 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 5.11 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 14 G 8.31 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 0.00 0.00 0.00 15 C 8.53 4.46 0.00 2.97 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 16 H 7.54 4.28 0.00 3.14 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.93 4.49 0.00 2.53 2.12 0.00 0.00 7.10 6.60 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 18 F 7.89 4.77 0.00 3.12 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 19 C 8.00 4.53 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.49 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.23 2.22 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 22 E 7.80 4.10 0.00 1.99 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 2.33 2.48 0.00 23 D 8.23 4.46 0.00 2.67 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 24 K 8.65 4.19 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.12 7.81 25 P 0.00 4.17 0.00 2.24 2.22 0.00 3.76 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 2.11 1.99 0.00 26 G 8.12 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.53 4.26 0.00 2.97 3.06 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 28 L 8.51 3.70 0.00 1.26 1.41 -0.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.41 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.48 4.17 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 31 V 7.98 3.63 2.19 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 0.94 0.00 0.00 1.07 0.00 0.00 32 W 8.76 4.68 0.00 3.26 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.49 0.00 2.79 2.95 0.00 0.00 6.80 7.74 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 34 P 0.00 4.62 0.00 2.22 2.17 0.00 3.46 0.00 0.00 4.49 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 35 E 8.61 4.09 0.00 2.07 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 2.36 2.35 0.00 36 L 8.19 4.34 0.00 1.62 1.72 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.80 4.82 0.00 2.94 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 38 P 0.00 4.44 0.00 2.22 2.13 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00