NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6364 8.5698 120.2325 59.6789 31.0162 172.1805 2 S 4.4343 7.5906 121.4298 58.5811 68.3746 173.9410 3 I 3.8363 7.6830 123.7387 62.9095 39.6075 178.6615 4 L 4.3707 7.5785 122.0197 54.7910 38.3144 174.8637 5 D 4.5744 7.4524 122.8414 56.1876 44.3260 176.4243 6 I 4.1464 7.3140 123.7987 60.2476 35.8405 175.4008 7 R 3.9499 8.0377 123.7392 56.6539 30.6847 174.3172 8 Q 3.4022 8.1666 119.0693 55.4177 24.9530 172.1575 9 G 4.1050 7.4862 103.5031 44.2106 0.0000 168.9112 10 P 4.4267 0.0000 0.0000 62.7282 31.8723 175.2039 11 K 4.6133 7.8613 117.8237 57.4390 35.5167 178.6100 12 E 3.9884 8.2273 117.2362 59.3056 29.3571 177.4118 13 P 4.2971 0.0000 0.0000 65.6779 31.3926 177.8410 14 F 4.8737 8.3335 117.7986 59.5413 38.2540 176.7139 15 R 4.4021 8.4133 116.1308 56.2883 30.4992 177.0574 16 D 4.2009 7.7984 117.8581 55.3225 41.3843 177.4959 17 Y 4.2869 7.7213 121.0230 60.5107 39.0193 177.1800 18 V 3.1430 7.3649 120.0155 65.0785 31.0278 177.8307 19 D 4.2615 7.4757 117.0595 56.7917 41.0402 177.9417 20 R 3.8769 7.9890 118.8054 59.5884 29.9767 177.8886 21 F 4.0106 8.4664 120.6677 61.6036 39.2745 176.4968 22 Y 3.8565 8.5335 119.4882 60.2971 38.2030 177.2935 23 K 4.2681 8.4865 120.2635 58.7060 32.2603 179.0707 24 T 3.7839 8.0371 116.7466 66.6948 68.4262 176.2623 25 L 3.8998 7.8067 122.5164 57.6878 41.7854 177.6744 26 R 4.4016 7.8373 116.7776 56.7142 31.1674 177.0765 27 A 4.5900 7.1924 122.2396 52.5664 21.3529 178.6526 28 E 4.0564 8.2099 115.2873 59.8218 29.7515 178.8461 29 Q 3.9077 8.5314 116.6766 57.7725 28.8578 176.7217 30 A 4.1812 7.2451 116.6928 51.2775 21.3693 176.1520 31 S 4.2676 8.7889 117.1073 58.9263 63.2001 174.2279 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 C 8.57 4.64 0.00 2.95 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 2 S 7.59 4.43 0.00 4.03 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.68 3.84 1.87 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 1.47 0.68 0.91 0.00 0.00 4 L 7.58 4.37 0.00 1.86 1.81 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.45 4.57 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 4.15 1.86 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 1.29 0.67 0.89 0.00 0.00 7 R 8.04 3.95 0.00 1.74 1.93 0.00 3.41 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 8 Q 8.17 3.40 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 9 G 7.49 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 1.80 1.90 0.00 3.30 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 11 K 7.86 4.61 0.00 1.79 1.71 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.65 7.81 12 E 8.23 3.99 0.00 2.01 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 2.43 2.37 0.00 13 P 0.00 4.30 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 14 F 8.33 4.87 0.00 2.98 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 15 R 8.41 4.40 0.00 1.84 1.88 0.00 3.26 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 16 D 7.80 4.20 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.72 4.29 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.75 0.00 0.00 19 D 7.48 4.26 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.88 0.00 1.94 2.15 0.00 3.31 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 21 F 8.47 4.01 0.00 2.67 2.89 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 22 Y 8.53 3.86 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.49 4.27 0.00 1.94 1.79 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 T 8.04 3.78 4.19 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 1.12 0.00 0.00 25 L 7.81 3.90 0.00 1.42 1.27 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.84 4.40 0.00 1.69 1.81 0.00 3.21 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.39 0.00 27 A 7.19 4.59 1.23 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 0.00 0.00 28 E 8.21 4.06 0.00 2.00 1.94 0.00 0.00 0.00 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 2.37 0.00 29 Q 8.53 3.91 0.00 1.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 30 A 7.25 4.18 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.27 0.00 3.97 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