NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4846 8.3049 120.3321 55.6088 34.2357 176.7356 2 R 3.9325 8.0941 115.7821 57.8178 30.5302 175.5275 3 K 4.5839 7.2790 115.6562 54.4299 35.8267 175.2817 4 L 4.3869 7.9534 120.7592 53.4952 42.4391 174.9571 5 S 4.2803 8.0747 116.1267 58.5714 65.0155 175.2429 6 D 4.0532 8.5906 123.1899 57.5323 40.6009 179.0027 7 E 3.8787 8.0338 118.8341 59.2370 29.5358 179.0943 8 L 4.0391 7.3413 118.6961 57.3383 41.7301 179.0932 9 L 3.8969 8.5961 121.0102 58.2884 42.0267 179.1755 10 I 3.5787 8.1200 120.0091 64.0709 36.9579 178.2280 11 E 4.0067 7.9652 119.4806 59.0652 29.1705 179.4516 12 S 4.1383 8.0069 113.5039 61.5401 62.6060 175.5162 13 Y 4.1407 7.7669 122.1340 60.6635 38.5086 178.0847 14 F 4.2707 9.1114 119.0918 60.5680 39.0159 177.8594 15 K 4.0103 8.7403 118.2285 59.5273 31.8913 179.2409 16 A 4.0626 8.6062 121.5768 55.4169 18.0491 179.8127 17 T 3.8895 7.4648 107.0020 64.7336 68.8469 176.5636 18 E 4.0919 7.7102 120.6318 59.2056 29.7400 178.5094 19 M 4.1985 8.1806 114.9068 55.4614 31.9449 175.6951 20 N 4.2649 8.2413 115.7332 53.9017 35.3629 174.2123 21 L 4.0897 8.0290 119.0728 54.6846 43.1155 176.2695 22 N 4.1869 8.7452 119.8785 54.3364 40.4375 175.7432 23 R 4.0030 8.7608 125.9982 59.6718 30.0912 178.5492 24 D 4.4578 8.4339 118.9216 57.2014 40.7158 178.4744 25 F 4.3890 8.2515 120.7585 61.3059 39.5648 177.1851 26 I 3.7607 7.9691 119.5653 64.5339 36.9001 178.0733 27 E 4.0695 8.8577 120.4411 58.8223 29.5076 178.5659 28 L 3.9051 8.1506 120.9807 58.3340 42.2615 179.1443 29 I 3.6022 8.1586 120.1691 64.0738 36.9058 178.0351 30 E 3.5758 8.0802 120.3478 58.9139 29.4896 178.4984 31 N 4.4325 8.6091 117.0376 55.7836 38.4432 177.0418 32 E 3.9074 7.9267 120.4532 59.2425 29.7860 178.7757 33 I 3.6411 7.5428 119.7251 63.9957 37.1493 178.7577 34 K 3.8936 8.3384 120.0064 59.5194 31.7731 179.4704 35 R 4.0086 7.6726 117.0449 58.7525 30.0257 177.6602 36 R 4.2220 7.7755 115.9846 55.3340 30.2361 175.9558 37 S 3.7401 7.8705 111.8628 59.6124 61.2857 171.6059 38 L 4.8226 8.1348 117.7736 54.3217 41.6422 177.7942 39 G 3.7982 8.1049 106.2231 46.7437 0.0000 175.8722 40 H 4.6414 8.1871 115.2050 57.8825 29.2784 176.5598 41 I 3.6583 7.4360 120.2312 63.3910 37.9024 176.1340 42 I 4.5231 6.9469 113.2045 60.2268 38.9707 175.9255 43 S 4.4466 8.4438 115.9757 57.8534 61.0148 172.8185 44 V 4.4729 7.2573 119.9127 61.2373 34.8679 174.9893 45 S 4.5692 8.3049 118.6238 56.7538 61.5146 174.1384 46 S 4.3653 8.2761 120.8489 58.2961 62.7301 174.4229 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 M 8.30 4.48 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 2 R 8.09 3.93 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 3 K 7.28 4.58 0.00 1.69 1.68 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 4 L 7.95 4.39 0.00 1.65 1.58 0.89 0.68 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 5 S 8.07 4.28 0.00 4.04 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 6 D 8.59 4.05 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.88 0.00 1.97 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 2.35 2.37 0.00 8 L 7.34 4.04 0.00 1.66 1.69 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.60 3.90 0.00 1.70 1.63 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.12 3.58 1.51 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.40 -0.49 0.00 0.00 11 E 7.97 4.01 0.00 2.07 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 2.31 2.42 0.00 12 S 8.01 4.14 0.00 4.06 3.82 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 13 Y 7.77 4.14 0.00 3.00 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 14 F 9.11 4.27 0.00 3.07 3.03 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 0.00 0.00 0.00 15 K 8.74 4.01 0.00 1.94 1.93 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.80 7.81 16 A 8.61 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.46 3.89 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 0.71 0.00 0.00 18 E 7.71 4.09 0.00 2.20 2.05 0.00 0.00 0.00 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 2.29 0.00 19 M 8.18 4.20 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.82 0.00 20 N 8.24 4.26 0.00 2.92 3.03 0.00 0.00 6.87 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.03 4.09 0.00 1.63 1.71 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.75 4.19 0.00 2.80 2.78 0.00 0.00 6.57 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 23 R 8.76 4.00 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 24 D 8.43 4.46 0.00 2.91 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 25 F 8.25 4.39 0.00 3.07 3.19 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 0.00 0.00 0.00 0.00 26 I 7.97 3.76 2.08 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 1.39 0.88 0.92 0.00 0.00 27 E 8.86 4.07 0.00 2.27 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 2.33 2.35 0.00 28 L 8.15 3.91 0.00 1.82 1.91 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.16 3.60 1.87 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.10 0.85 0.00 0.00 30 E 8.08 3.58 0.00 2.12 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 1.81 2.14 0.00 31 N 8.61 4.43 0.00 2.96 2.82 0.00 0.00 6.64 8.08 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 32 E 7.93 3.91 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 33 I 7.54 3.64 1.65 0.00 0.00 0.64 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 0.54 0.76 0.00 0.00 34 K 8.34 3.89 0.00 1.91 1.80 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.37 1.92 7.81 35 R 7.67 4.01 0.00 1.99 1.93 0.00 3.23 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 36 R 7.78 4.22 0.00 2.00 1.91 0.00 3.33 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 37 S 7.87 3.74 0.00 4.00 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 38 L 8.13 4.82 0.00 1.68 1.59 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.10 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 4.64 0.00 3.28 3.42 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.44 3.66 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.91 0.00 0.00 42 I 6.95 4.52 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.80 0.76 0.00 0.00 43 S 8.44 4.45 0.00 3.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.26 4.47 2.25 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 0.97 0.00 0.00 1.03 0.00 0.00 45 S 8.30 4.57 0.00 3.85 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 46 S 8.28 4.37 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00