NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3133 8.1476 120.3265 55.6155 33.3012 179.4794 2 E 2.9883 8.5102 126.9577 59.0085 32.2762 176.3253 3 T 4.1359 8.1236 117.4732 66.1161 68.9834 177.4098 4 I 3.7276 8.9780 121.2057 64.4520 37.5288 177.9986 5 T 3.8563 7.5741 116.0892 66.8134 67.9595 176.0347 6 Y 4.3041 8.2522 118.4583 60.8601 38.3162 178.0848 7 V 3.8409 7.7270 120.2668 65.2635 31.5827 177.6176 8 F 4.3764 8.5713 121.5805 60.5136 38.7580 176.9362 9 I 3.3431 7.8675 118.7284 64.5432 37.0154 177.5679 10 F 4.1035 8.1460 121.2875 60.4821 39.1972 176.8614 11 A 4.0996 8.6257 120.2198 54.1283 18.6184 178.2788 12 C 4.0989 8.0896 115.8976 61.9594 28.5113 175.9111 13 I 2.7666 6.9546 120.5268 64.5529 36.5382 178.4212 14 I 3.7075 7.4462 119.7598 64.2961 36.9432 177.3209 15 A 3.9026 8.7758 123.4950 54.0997 17.9845 178.9281 16 L 3.8348 7.5607 119.2626 57.2885 42.5642 179.1327 17 F 4.8437 7.7064 116.2303 60.8713 38.9869 177.4920 18 F 4.6876 8.4748 120.2245 61.7142 39.0184 177.0552 19 F 4.2109 9.0238 117.0314 59.4465 38.5458 176.5663 20 A 4.5577 7.9106 118.3977 52.3061 19.5769 177.8420 21 I 3.9305 6.6872 116.2843 60.8695 37.6997 176.0018 22 F 4.8476 7.4834 115.5802 57.1841 42.1238 175.2162 23 F 4.6689 7.9065 118.3591 56.6821 39.1715 175.8693 24 R 3.9001 7.9449 117.3073 56.2697 29.5256 176.1827 25 E 4.2751 8.8038 119.3414 55.1220 29.2897 173.5192 26 P 3.8968 0.0000 0.0000 59.9856 31.9972 174.0740 27 P 4.4718 0.0000 0.0000 62.2299 32.1283 175.9614 28 R 4.3397 8.4018 122.3399 54.9479 31.2953 176.5416 29 I 4.2834 8.0811 115.5637 59.2556 37.2988 175.7202 30 T 4.1698 8.1020 116.3748 62.0306 68.7208 174.3551 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 8.15 4.31 0.00 2.03 1.54 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 2 E 8.51 2.99 0.00 2.73 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 3 T 8.12 4.14 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 4 I 8.98 3.73 1.86 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 1.47 1.15 0.93 0.00 0.00 5 T 7.57 3.86 3.76 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 0.94 0.00 0.00 6 Y 8.25 4.30 0.00 3.12 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 7 V 7.73 3.84 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 8 F 8.57 4.38 0.00 3.09 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.87 3.34 1.90 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 1.35 0.89 0.85 0.00 0.00 10 F 8.15 4.10 0.00 3.24 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 11 A 8.63 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 4.10 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 6.95 2.77 1.24 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.08 0.00 0.00 14 I 7.45 3.71 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.93 0.00 0.00 15 A 8.78 3.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.56 3.83 0.00 1.53 1.68 1.03 0.75 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 F 7.71 4.84 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.69 0.00 3.33 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 19 F 9.02 4.21 0.00 3.09 3.05 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 0.00 0.00 0.00 20 A 7.91 4.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.69 3.93 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.47 0.00 0.00 22 F 7.48 4.85 0.00 2.91 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 23 F 7.91 4.67 0.00 2.92 2.93 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 24 R 7.94 3.90 0.00 1.86 2.07 0.00 2.96 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 25 E 8.80 4.28 0.00 2.07 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 2.30 0.00 26 P 0.00 3.90 0.00 2.04 1.95 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 27 P 0.00 4.47 0.00 2.16 2.03 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 28 R 8.40 4.34 0.00 1.80 1.88 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 29 I 8.08 4.28 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 1.46 0.89 0.90 0.00 0.00 30 T 8.10 4.17 4.23 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 1.20 0.00 0.00