NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5169 8.3649 120.5351 54.4513 41.8542 174.8613 2 C 4.8260 8.0787 119.1253 55.9463 41.0351 171.8870 3 Y 4.8667 9.2622 118.9948 56.6202 42.7292 173.4609 4 C 5.4533 8.9103 120.4402 56.6227 41.2955 173.3518 5 R 5.3501 9.7944 121.9930 54.7810 34.5368 174.1320 6 I 4.8863 8.4775 122.3425 59.0322 39.9189 174.0054 7 P 4.3460 0.0000 0.0000 64.0279 31.9968 175.3271 8 A 4.5441 7.2826 119.7270 51.1677 21.8116 176.3600 9 C 4.5318 8.5207 117.3003 56.9008 42.1792 174.0222 10 I 4.0984 8.2464 115.6279 59.1770 38.6216 175.0652 11 A 4.1229 8.3275 123.6009 54.2040 18.1070 177.7274 12 G 4.0796 9.0368 111.0390 45.1248 0.0000 173.0810 13 E 4.9364 7.8654 118.5682 54.8415 31.6952 175.5434 14 K 4.6031 8.7754 120.6505 54.3089 36.2742 175.0905 15 K 4.6071 8.2179 123.4982 56.1922 32.7505 175.8645 16 Y 4.6639 9.7020 123.5129 57.0453 39.5898 176.8879 17 G 4.1803 7.3357 106.5032 46.3892 0.0000 171.4119 18 T 5.3591 8.3102 110.4033 60.4503 72.4558 174.1440 19 C 5.1171 9.4067 119.5054 55.2465 44.0271 173.2063 20 I 5.2046 8.1612 122.0214 60.1599 39.1173 174.5993 21 Y 4.8060 9.3926 126.3053 57.9262 42.0002 174.2137 22 Q 3.1483 9.3198 124.3674 57.1400 26.4096 174.0710 23 G 4.0686 8.5527 101.1143 46.2191 0.0000 174.0155 24 K 4.6587 8.1113 117.5608 53.9093 35.6540 174.7847 25 L 5.0897 8.2796 122.9553 54.1812 43.0719 175.7070 26 W 5.0022 9.8513 125.2091 54.5701 33.4006 174.4032 27 A 4.6340 9.1243 124.3562 51.8079 19.6523 176.4576 28 F 5.3136 9.3426 125.8055 57.3543 40.8032 173.7538 29 C 5.5341 9.0834 124.6673 55.3257 44.2655 173.8365 30 C 4.5900 9.2029 119.7368 57.2027 42.0958 173.9502 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 8.36 4.52 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 4.83 0.00 2.49 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.26 4.87 0.00 2.84 2.83 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 4 C 8.91 5.45 0.00 2.51 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 5 R 9.79 5.35 0.00 1.83 1.89 0.00 3.12 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 6 I 8.48 4.89 1.32 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.12 0.67 0.00 0.00 7 P 0.00 4.35 0.00 2.14 2.11 0.00 3.80 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 1.92 0.00 8 A 7.28 4.54 1.22 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 0.00 0.00 9 C 8.52 4.53 0.00 2.97 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 10 I 8.25 4.10 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.89 0.00 0.00 11 A 8.33 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.04 4.08 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 0.00 0.00 0.00 13 E 7.87 4.94 0.00 2.02 1.90 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 2.32 2.28 0.00 14 K 8.78 4.60 0.00 1.20 1.24 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.33 7.81 15 K 8.22 4.61 0.00 1.72 1.61 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 16 Y 9.70 4.66 0.00 2.94 3.02 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 17 G 7.34 4.18 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 0.00 0.00 0.00 18 T 8.31 5.36 4.42 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 1.30 0.00 0.00 19 C 9.41 5.12 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.16 5.20 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 1.00 0.00 0.00 21 Y 9.39 4.81 0.00 2.74 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.32 3.15 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 23 G 8.55 4.07 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 0.00 0.00 0.00 24 K 8.11 4.66 0.00 1.89 1.39 0.00 1.33 0.00 0.00 1.28 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.60 7.81 25 L 8.28 5.09 0.00 1.67 1.58 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.85 5.00 0.00 3.31 3.42 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 27 A 9.12 4.63 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.34 5.31 0.00 3.16 3.11 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 29 C 9.08 5.53 0.00 3.02 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 30 C 9.20 4.59 0.00 2.91 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