NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6383 8.2076 120.5290 54.5405 43.3393 177.4612 2 Y 4.0553 7.8697 117.7734 59.3316 37.8712 176.4865 3 L 3.7087 7.6378 121.8360 57.3609 42.1202 180.3645 4 R 3.8738 7.7620 117.6303 59.3537 29.9635 178.7938 5 E 3.9906 8.2105 118.3591 59.2641 29.4708 179.3239 6 L 4.0203 8.0847 119.1773 57.7117 41.5897 179.3415 7 L 3.9806 8.2721 120.6714 57.7381 42.0171 178.6229 8 K 3.8141 8.3152 120.0848 59.6788 31.9939 178.3588 9 L 3.9910 8.1027 120.3217 58.1729 41.9731 178.8002 10 E 3.9925 8.3125 118.4786 59.4485 29.2154 179.2532 11 L 4.0108 7.9637 118.0039 58.0481 41.6225 179.4058 12 Q 4.2621 8.3796 118.1038 58.7034 28.7641 178.9563 13 G 3.5768 8.5092 107.2883 47.8618 0.0000 175.7256 14 I 3.9434 8.0485 121.1316 63.3109 37.8443 177.8784 15 K 3.9841 7.6544 120.7654 59.5943 32.0836 178.7908 16 Q 3.9617 8.0371 117.9456 59.0601 28.5605 178.3416 17 Y 3.9832 7.9080 117.3459 61.1261 38.1057 178.5152 18 R 3.9959 8.3245 119.1152 59.1936 29.9170 178.7286 19 E 4.3738 8.5250 119.5686 58.7791 29.9340 178.4694 20 A 4.2688 8.0119 120.4111 54.8756 18.2623 178.8600 21 L 4.5644 7.5839 116.3253 55.4064 42.1509 178.5845 22 E 3.9828 8.1198 118.8706 58.3758 29.0550 177.8071 23 Y 4.4098 7.9116 115.2429 58.1552 40.2346 175.6713 24 V 4.6738 7.5762 110.7998 59.4963 35.3647 174.8376 25 K 4.4840 8.1894 119.3286 54.9732 32.7332 176.6073 26 L 4.0202 8.2353 117.5554 54.2413 42.5343 175.2273 27 P 4.2260 0.0000 0.0000 65.8788 31.3257 178.9401 28 V 3.6101 7.7298 117.1287 64.9865 31.3570 178.3805 29 L 4.0890 7.9803 119.1623 57.1150 41.5899 179.1686 30 A 3.9637 8.1968 121.1528 55.0407 18.3911 179.8105 31 K 3.8811 8.2255 117.1101 59.5485 32.0764 179.6770 32 I 3.4659 7.6572 119.9877 64.2196 36.9203 177.9758 33 L 3.6614 7.7096 121.2106 58.2259 41.7510 178.7435 34 E 3.7858 7.8728 118.4459 59.2247 29.5294 178.4102 35 D 4.0415 7.7193 118.6654 57.3982 40.8968 178.7143 36 E 3.6457 8.1468 119.2328 59.3083 29.4139 179.0800 37 E 3.8539 8.1857 118.8377 59.5451 29.4557 179.7606 38 K 3.5449 7.5395 118.1754 59.4894 31.9859 179.0986 39 H 3.9793 7.8678 116.8495 58.8432 28.4911 177.9413 40 I 3.7120 7.6581 121.5602 64.2515 36.9569 178.0183 41 E 4.0788 8.0036 120.1554 59.1325 29.4724 178.8438 42 W 4.5092 8.2583 119.0541 59.9824 29.0812 178.5457 43 L 4.0779 8.2112 118.8198 57.9218 41.0197 179.4098 44 E 3.9763 8.5421 118.7773 59.5791 29.1166 179.5855 45 T 3.8845 7.8304 114.8916 66.7942 68.6647 176.3892 46 I 3.8538 7.6110 120.1290 64.5008 37.2116 178.3397 47 L 4.2094 8.1355 119.0741 57.2650 41.4764 177.9983 48 G 3.8725 8.3119 109.9828 44.9451 0.0000 173.2412 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 8.21 4.64 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 4.06 0.00 3.36 3.25 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 0.00 3 L 7.64 3.71 0.00 1.38 1.53 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.76 3.87 0.00 2.00 1.96 0.00 3.23 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.21 3.99 0.00 2.22 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 2.35 2.53 0.00 6 L 8.08 4.02 0.00 1.85 1.75 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.27 3.98 0.00 1.74 1.78 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.32 3.81 0.00 1.95 2.01 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 9 L 8.10 3.99 0.00 1.82 1.95 0.95 0.90 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 10 E 8.31 3.99 0.00 2.24 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 2.56 2.53 0.00 11 L 7.96 4.01 0.00 1.76 1.74 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.38 4.26 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 13 G 8.51 3.58 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 0.00 0.00 0.00 14 I 8.05 3.94 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.99 0.00 0.00 15 K 7.65 3.98 0.00 1.73 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 16 Q 8.04 3.96 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 17 Y 7.91 3.98 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.32 4.00 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 19 E 8.53 4.37 0.00 2.00 2.14 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 2.47 2.35 0.00 20 A 8.01 4.27 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 21 L 7.58 4.56 0.00 1.76 1.75 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.12 3.98 0.00 1.69 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 2.21 2.51 0.00 23 Y 7.91 4.41 0.00 3.06 2.95 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 0.00 0.00 0.00 24 V 7.58 4.67 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 1.00 0.00 0.00 1.04 0.00 0.00 25 K 8.19 4.48 0.00 1.66 1.71 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.44 7.81 26 L 8.24 4.02 0.00 1.76 1.63 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.23 0.00 2.15 2.13 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 28 V 7.73 3.61 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 0.90 0.00 0.00 0.95 0.00 0.00 29 L 7.98 4.09 0.00 1.78 1.92 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.20 3.96 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 31 K 8.23 3.88 0.00 1.94 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 32 I 7.66 3.47 1.51 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 0.06 0.00 0.00 33 L 7.71 3.66 0.00 1.74 1.77 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.87 3.79 0.00 2.13 2.01 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 2.21 2.26 0.00 35 D 7.72 4.04 0.00 2.74 2.40 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 36 E 8.15 3.65 0.00 1.75 1.88 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 2.22 2.17 0.00 37 E 8.19 3.85 0.00 2.00 1.90 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 2.26 2.45 0.00 38 K 7.54 3.54 0.00 1.28 0.88 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.47 7.81 39 H 7.87 3.98 0.00 3.27 3.36 0.00 5.64 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 40 I 7.66 3.71 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.64 0.90 0.00 0.00 41 E 8.00 4.08 0.00 1.98 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 2.42 2.39 0.00 42 W 8.26 4.51 0.00 3.63 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.08 0.00 1.75 1.74 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.54 3.98 0.00 2.17 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 2.34 2.54 0.00 45 T 7.83 3.88 4.51 0.00 0.00 0.00 0.00 0.00 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 46 I 7.61 3.85 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 0.89 0.00 0.00 47 L 8.14 4.21 0.00 1.59 1.71 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.31 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00