NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4570 8.3231 116.7994 58.2782 64.2359 173.5799 2 G 3.4500 8.4459 110.7169 47.9039 0.0000 174.3251 3 S 4.0737 8.2829 114.0216 58.4227 61.9874 171.3220 4 W 4.2454 7.7046 128.8911 58.6157 32.6099 177.3956 5 L 3.5675 7.9286 117.7249 57.6679 40.8692 179.5122 6 R 3.8526 7.3176 117.3088 59.3296 29.5185 178.4412 7 D 4.3058 7.7503 117.2112 57.1834 41.1925 178.1634 8 I 4.2272 7.5447 120.4443 64.4373 37.1743 178.4941 9 W 4.4255 7.9537 119.8033 59.5271 28.5568 178.0544 10 D 4.4230 8.1067 118.0982 57.0356 40.7169 178.0559 11 W 4.3995 8.0367 115.6465 58.4294 28.5945 178.7154 12 I 2.4513 7.1092 121.2614 64.0730 36.5168 177.8642 13 C 4.0310 7.9894 119.4896 62.1904 31.4092 175.1632 14 E 3.8946 7.7255 120.5773 59.4411 29.4395 179.0535 15 V 3.6818 7.9327 118.3128 65.8712 31.5499 177.7319 16 L 3.9982 8.2218 120.5559 58.1719 41.9796 179.1271 17 S 4.1589 8.5971 115.6182 61.5862 62.9084 176.0886 18 D 4.3825 8.1112 120.5589 57.5034 41.0122 178.1938 19 F 4.0349 8.3000 120.6504 60.8917 39.3502 176.9684 20 K 4.0848 8.4234 119.6215 59.9298 31.9569 178.9259 21 T 3.9066 7.9663 115.8323 66.3028 68.1315 176.5083 22 W 3.9448 7.8592 128.8739 60.2375 30.8682 177.5962 23 L 3.5198 8.4998 120.6580 57.9596 41.5789 178.8491 24 K 3.8932 8.6385 119.6381 59.3152 31.8256 178.5710 25 A 4.0173 7.9891 120.9406 53.8042 18.2337 178.7006 26 K 4.3424 7.0973 114.4954 56.1414 33.4777 176.2879 27 L 4.7254 7.4256 120.1400 55.5373 42.7508 177.0743 28 M 4.8202 7.6108 113.7396 53.1638 32.7759 173.8042 29 P 4.3587 0.0000 0.0000 65.0009 32.5031 177.9715 30 Q 4.4721 7.7714 116.6768 53.5366 31.9526 174.7226 31 L 4.2428 8.3628 123.6168 55.3002 42.3998 175.4848 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 S 8.32 4.46 0.00 3.90 3.90 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 0.00 0.00 0.00 2 G 8.45 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.07 0.00 4.03 3.90 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 0.00 0.00 0.00 4 W 7.70 4.25 0.00 3.54 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 5 L 7.93 3.57 0.00 1.32 0.16 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.32 3.85 0.00 1.76 2.03 0.00 3.09 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.70 0.00 7 D 7.75 4.31 0.00 2.48 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.23 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.99 1.05 0.00 0.00 9 W 7.95 4.43 0.00 3.64 3.07 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 0.00 0.00 0.00 10 D 8.11 4.42 0.00 3.02 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 11 W 8.04 4.40 0.00 3.73 3.33 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 12 I 7.11 2.45 1.68 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.67 0.71 0.00 0.00 13 C 7.99 4.03 0.00 3.03 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 14 E 7.73 3.89 0.00 2.40 2.15 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 2.38 2.37 0.00 15 V 7.93 3.68 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 1.01 0.00 0.00 1.27 0.00 0.00 16 L 8.22 4.00 0.00 1.76 1.71 0.85 0.95 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 17 S 8.60 4.16 0.00 4.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.11 4.38 0.00 2.89 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.30 4.03 0.00 3.38 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.08 0.00 2.20 1.88 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.58 7.81 21 T 7.97 3.91 4.43 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 1.23 0.00 0.00 22 W 7.86 3.94 0.00 3.13 3.08 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 0.00 0.00 0.00 23 L 8.50 3.52 0.00 2.08 1.70 1.35 0.36 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 24 K 8.64 3.89 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 25 A 7.99 4.02 1.25 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 0.00 0.00 26 K 7.10 4.34 0.00 1.56 1.46 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.10 0.98 7.81 27 L 7.43 4.73 0.00 1.59 1.53 0.87 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.61 4.82 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.39 0.00 29 P 0.00 4.36 0.00 2.15 2.14 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 30 Q 7.77 4.47 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 31 L 8.36 4.24 0.00 1.49 1.43 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00