NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6400 8.2076 120.5315 54.5368 43.3662 177.3668 2 Y 4.0039 8.1747 117.8341 59.7216 37.5967 177.0816 3 L 3.7172 7.4660 121.6189 57.4369 42.1353 180.4949 4 R 3.8933 7.7510 117.5825 59.2383 29.9681 178.5513 5 E 3.9603 8.4696 119.2919 59.1730 29.6507 178.8844 6 L 3.9957 7.9177 119.0931 57.6407 41.6219 179.1556 7 L 3.9382 8.2640 120.6939 58.0523 42.0391 178.8688 8 K 3.9033 8.4101 119.8951 59.6429 32.0398 178.6847 9 L 4.0399 8.1527 119.2380 57.8196 41.4440 179.4604 10 E 4.0044 8.2152 118.5989 59.3996 28.8987 179.3254 11 L 4.0090 8.2919 119.4209 57.9103 41.4318 179.6737 12 Q 4.1518 8.4021 118.2473 58.6344 28.6408 178.7959 13 G 3.7731 8.4316 107.3899 47.9678 0.0000 175.8173 14 I 3.9487 8.0458 116.1725 63.4304 37.5065 178.1543 15 K 3.9620 7.8298 120.5105 59.4556 32.1106 178.8669 16 Q 3.9914 7.8817 118.3585 59.0168 28.6091 178.2256 17 Y 4.0541 7.9603 117.8180 61.1452 37.8588 178.7772 18 R 4.0020 8.5269 119.4763 59.1175 29.9208 178.6808 19 E 3.9738 8.1209 118.1338 59.2361 29.9257 178.4352 20 A 4.2778 7.9912 120.4482 55.2400 18.3110 179.4316 21 L 4.5240 7.8307 116.8375 56.5444 41.7411 179.0623 22 E 3.9666 7.8403 117.9620 58.4938 29.2883 177.0624 23 Y 4.5285 8.1872 115.3901 58.2127 39.8888 176.4886 24 V 4.5081 7.6987 112.1136 59.5837 34.6065 175.6179 25 K 4.5571 8.4567 125.2257 54.7240 30.8813 174.4188 26 L 4.5833 7.5127 119.8168 52.3112 43.1114 175.8060 27 P 4.2912 0.0000 0.0000 65.5973 31.1672 178.9677 28 V 3.7189 7.7779 117.5106 64.8246 31.1662 178.3698 29 L 3.9917 7.9858 119.1980 57.5091 41.4837 179.3080 30 A 3.9293 7.9342 120.3156 54.7671 18.2071 179.4277 31 K 3.8060 8.5018 118.6800 59.7038 32.2105 179.1588 32 I 3.5100 7.7418 120.1344 64.1713 36.9053 178.0016 33 L 3.6218 7.7662 121.3434 58.1264 41.4968 178.6938 34 E 3.8010 7.8944 119.1205 59.2486 29.4466 178.6328 35 D 4.1026 7.6818 118.7873 57.3214 40.8075 178.4494 36 E 3.6575 7.9987 119.1530 59.4661 29.4167 179.3230 37 E 3.8348 8.1514 118.6095 59.1469 29.3506 179.3455 38 K 3.5148 7.2755 119.4551 59.2104 32.0926 178.5339 39 H 3.8758 7.7342 116.8225 58.9307 28.6065 177.7427 40 I 3.6630 7.8681 121.7370 64.3235 36.9445 178.1025 41 E 4.0623 7.9293 120.0653 59.0691 29.4503 178.8952 42 W 4.4433 8.1782 119.2732 59.8730 29.1278 178.4443 43 L 4.0596 8.2616 118.9528 57.9589 40.8533 179.4264 44 E 3.9896 8.1944 117.3784 59.6631 29.6756 179.2281 45 T 4.0659 8.1177 115.9656 66.6542 68.4161 176.4330 46 I 4.0025 7.7491 112.4714 62.8159 37.9934 177.3145 47 L 4.1925 7.7906 119.8992 55.4618 41.7380 176.8769 48 G 4.0194 7.8101 112.7865 45.5958 0.0000 173.1941 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 2.82 2.82 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 2 Y 8.17 4.00 0.00 3.38 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 3 L 7.47 3.72 0.00 1.32 1.51 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.75 3.89 0.00 1.96 1.96 0.00 3.11 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 1.67 1.62 0.00 5 E 8.47 3.96 0.00 2.10 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 2.35 2.43 0.00 6 L 7.92 4.00 0.00 1.92 1.73 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.26 3.94 0.00 1.79 1.83 0.92 0.42 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 8 K 8.41 3.90 0.00 1.92 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.49 7.81 9 L 8.15 4.04 0.00 1.90 1.73 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.22 4.00 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 11 L 8.29 4.01 0.00 1.81 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.40 4.15 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 13 G 8.43 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.05 3.95 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.29 0.98 0.00 0.00 15 K 7.83 3.96 0.00 1.89 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 Q 7.88 3.99 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 17 Y 7.96 4.05 0.00 3.24 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 18 R 8.53 4.00 0.00 2.08 1.99 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 19 E 8.12 3.97 0.00 2.02 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 2.47 2.52 0.00 20 A 7.99 4.28 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 21 L 7.83 4.52 0.00 1.81 1.76 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.84 3.97 0.00 1.84 1.36 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 2.20 2.46 0.00 23 Y 8.19 4.53 0.00 3.01 2.97 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 24 V 7.70 4.51 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 1.02 0.00 0.00 1.02 0.00 0.00 25 K 8.46 4.56 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 26 L 7.51 4.58 0.00 1.73 1.62 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.29 0.00 2.15 2.11 0.00 3.61 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 28 V 7.78 3.72 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 0.87 0.00 0.00 0.94 0.00 0.00 29 L 7.99 3.99 0.00 1.93 1.92 1.01 0.86 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 30 A 7.93 3.93 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 31 K 8.50 3.81 0.00 1.79 1.95 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 32 I 7.74 3.51 1.55 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.45 0.14 0.00 0.00 33 L 7.77 3.62 0.00 1.84 1.56 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.89 3.80 0.00 2.15 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 2.22 2.27 0.00 35 D 7.68 4.10 0.00 2.65 2.39 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 36 E 8.00 3.66 0.00 1.92 1.91 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 2.17 2.31 0.00 37 E 8.15 3.83 0.00 2.01 1.89 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 2.24 2.43 0.00 38 K 7.28 3.51 0.00 1.41 0.74 0.00 1.57 0.00 0.00 1.49 0.00 0.00 3.45 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.81 1.21 7.81 39 H 7.73 3.88 0.00 3.24 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.87 3.66 1.99 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 1.39 0.61 0.88 0.00 0.00 41 E 7.93 4.06 0.00 1.98 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 2.43 2.41 0.00 42 W 8.18 4.44 0.00 3.56 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 43 L 8.26 4.06 0.00 1.71 1.73 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.19 3.99 0.00 2.10 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 2.47 0.00 45 T 8.12 4.07 4.52 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 1.25 0.00 0.00 46 I 7.75 4.00 1.87 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 1.85 0.51 0.92 0.00 0.00 47 L 7.79 4.19 0.00 1.87 1.74 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.81 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00