NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5847 8.2233 120.1960 53.6754 43.0229 176.6301 2 Y 3.1192 8.6906 120.9450 59.7769 38.7723 176.0376 3 L 4.7519 7.6304 117.2929 54.0478 44.9452 177.9869 4 R 3.8999 7.9498 116.5778 59.3773 28.9278 178.3057 5 E 4.1675 8.0274 116.8574 57.5816 29.9457 177.7228 6 L 4.4753 7.7906 117.4233 55.2123 42.5971 176.9827 7 L 4.6296 8.1898 117.0207 56.4683 42.3985 178.7832 8 K 3.9787 8.0808 119.7912 58.9018 32.1767 178.6776 9 L 3.8545 8.1150 119.4133 57.8333 41.4906 178.9751 10 E 3.9919 8.2453 118.0563 59.4764 29.3164 178.8730 11 L 3.9699 8.0740 120.0788 58.6918 42.1166 179.2980 12 Q 4.0370 7.6753 117.1552 58.7114 28.4998 179.0284 13 L 3.9415 7.8287 120.0896 57.7178 41.5107 179.1664 14 I 3.8861 7.9001 118.7821 64.4537 37.5501 177.7622 15 K 4.0496 8.2259 120.1986 60.0752 32.0065 178.7868 16 Q 4.0952 8.7070 118.2082 59.0917 28.4705 178.3009 17 Y 4.4053 8.6701 118.2870 61.1922 37.6000 178.8708 18 R 4.0377 7.8116 118.0003 58.7050 30.5146 178.4436 19 E 4.0951 8.1198 118.6775 59.4306 29.8954 178.6277 20 A 4.2155 8.6756 121.2188 54.7287 18.3913 179.0189 21 L 3.9109 8.3435 119.6471 58.7386 41.8184 179.3637 22 E 3.9363 7.8913 116.4862 59.5472 29.6159 177.8300 23 Y 4.2844 7.8887 114.7637 61.0988 38.0111 177.8347 24 V 3.8504 8.4182 117.3605 62.6442 32.4294 175.4047 25 K 3.8714 7.8554 118.3316 57.6860 31.8526 175.1741 26 L 4.6625 7.2857 118.7822 52.5256 45.4140 174.6325 27 P 4.3045 0.0000 0.0000 65.8233 31.0760 178.4213 28 V 3.5404 7.9288 117.8030 66.0331 31.2445 177.7475 29 L 3.9877 7.9876 118.2078 57.9129 41.5737 179.2783 30 A 4.0459 8.0254 120.0515 55.2430 18.2541 179.7006 31 K 3.9464 8.2599 117.2040 59.3240 32.0112 179.8039 32 I 3.6080 8.0174 120.8765 64.1465 37.0043 178.2989 33 L 2.9571 7.6882 120.9887 58.4319 39.7278 178.7939 34 E 3.7938 7.9428 120.1337 59.0002 29.7250 178.1802 35 D 4.2839 8.0073 117.8256 57.4417 41.1944 177.9719 36 E 4.0000 8.2080 119.0824 59.4554 29.5036 178.6706 37 E 3.9161 8.2149 119.4457 59.4844 29.5418 179.0185 38 K 3.9984 7.7874 118.9863 59.8169 32.2450 178.4414 39 H 4.2484 7.8924 115.0957 59.0294 28.5807 177.7482 40 I 3.8743 8.2068 121.9014 64.4929 36.7553 177.7828 41 E 3.9263 8.5136 119.1068 59.3379 29.5506 178.2127 42 W 4.1739 8.2356 128.0684 60.6049 30.6424 178.0147 43 L 4.1555 7.8816 117.2577 57.7698 40.9150 179.1799 44 E 4.2069 8.1374 116.2312 56.4946 30.1036 177.2019 45 T 4.3894 7.9416 113.0875 63.5560 73.2234 173.2021 46 I 2.6234 8.2349 118.1654 61.7173 36.5495 172.0863 47 L 3.7626 7.4067 129.5586 56.6436 42.0148 174.0574 48 G 3.9590 8.0137 109.3740 45.8267 0.0000 173.4001 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 4.58 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 3.12 0.00 3.19 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 3 L 7.63 4.75 0.00 1.71 1.70 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.95 3.90 0.00 2.03 2.20 0.00 2.74 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 5 E 8.03 4.17 0.00 1.90 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 2.25 2.36 0.00 6 L 7.79 4.48 0.00 1.63 1.77 0.93 1.02 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 8.19 4.63 0.00 1.84 1.89 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.08 3.98 0.00 1.86 2.04 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.54 7.81 9 L 8.12 3.85 0.00 1.88 1.70 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.25 3.99 0.00 2.23 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 2.48 2.50 0.00 11 L 8.07 3.97 0.00 1.78 1.91 0.95 0.78 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 12 Q 7.68 4.04 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 13 L 7.83 3.94 0.00 1.95 1.70 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.90 3.89 2.08 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 1.69 0.78 0.94 0.00 0.00 15 K 8.23 4.05 0.00 2.07 1.99 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 16 Q 8.71 4.10 0.00 2.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 17 Y 8.67 4.41 0.00 3.16 2.80 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 18 R 7.81 4.04 0.00 2.04 2.02 0.00 3.19 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 19 E 8.12 4.10 0.00 2.11 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 2.65 2.48 0.00 20 A 8.68 4.22 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 21 L 8.34 3.91 0.00 1.98 1.97 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.89 3.94 0.00 1.89 1.82 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 2.31 2.47 0.00 23 Y 7.89 4.28 0.00 3.16 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 24 V 8.42 3.85 2.23 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 0.91 0.00 0.00 1.03 0.00 0.00 25 K 7.86 3.87 0.00 2.01 2.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.37 7.81 26 L 7.29 4.66 0.00 1.82 1.52 0.94 0.89 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 27 P 0.00 4.30 0.00 2.29 2.29 0.00 3.78 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 2.07 2.02 0.00 28 V 7.93 3.54 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 1.15 0.00 0.00 0.93 0.00 0.00 29 L 7.99 3.99 0.00 2.04 1.82 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.03 4.05 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 8.26 3.95 0.00 1.92 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.49 7.81 32 I 8.02 3.61 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.86 0.00 0.00 33 L 7.69 2.96 0.00 1.15 0.93 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.94 3.79 0.00 2.17 2.06 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 2.27 2.29 0.00 35 D 8.01 4.28 0.00 2.77 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 36 E 8.21 4.00 0.00 2.12 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 2.42 2.49 0.00 37 E 8.21 3.92 0.00 2.21 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 2.33 2.49 0.00 38 K 7.79 4.00 0.00 1.92 1.95 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.64 7.81 39 H 7.89 4.25 0.00 3.49 3.34 0.00 5.70 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 8.21 3.87 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 1.02 0.00 0.00 41 E 8.51 3.93 0.00 2.11 2.27 0.00 0.00 0.00 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 2.36 0.00 42 W 8.24 4.17 0.00 3.52 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.16 0.00 2.09 1.78 1.19 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.14 4.21 0.00 1.94 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 2.37 2.53 0.00 45 T 7.94 4.39 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 1.03 0.00 0.00 46 I 8.23 2.62 1.85 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 1.13 0.55 0.85 0.00 0.00 47 L 7.41 3.76 0.00 1.61 1.66 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.01 3.96 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