NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4252 8.3049 120.3269 55.4330 33.6890 175.8136 2 T 4.1282 8.5023 116.1302 62.1620 70.9928 173.8231 3 I 3.6757 8.9944 124.1769 65.0681 37.6016 178.2752 4 D 4.4074 8.0548 118.9047 57.3618 40.6783 178.5591 5 E 4.0609 8.0127 118.7224 59.1312 29.5450 179.2204 6 I 3.7654 7.9159 120.3363 64.3784 37.1724 178.5015 7 I 3.7375 7.7831 120.7744 64.2504 36.7173 178.1007 8 E 4.5487 8.5891 121.3440 58.7991 29.2423 178.7596 9 A 4.0110 7.8895 119.8439 55.1981 18.7223 179.4024 10 I 3.8324 7.8777 118.3981 64.5677 37.3173 178.5480 11 E 4.0656 8.4342 119.2664 58.7410 29.0411 178.6395 12 K 4.3442 7.4155 116.3203 56.1222 32.7355 177.1559 13 L 4.3783 6.9542 119.7811 54.3720 42.4606 177.3654 14 T 4.3146 8.5169 111.9457 61.0835 71.2074 176.1475 15 V 3.5684 8.2035 120.6941 66.2513 31.3872 178.2321 16 S 4.1465 8.0294 114.4607 61.7313 62.6952 176.4232 17 E 3.9938 8.1280 121.2503 59.0771 29.1192 179.0984 18 L 3.9175 8.2009 120.4026 58.1926 42.2642 178.8551 19 A 3.9814 8.1078 120.6697 55.2423 18.2607 179.2570 20 E 3.9278 7.9723 117.8734 59.1045 29.6060 178.7580 21 L 3.9678 8.0595 120.6956 58.0278 42.1103 179.0809 22 V 3.5816 8.0034 118.3433 65.9387 31.4923 177.8879 23 K 3.9347 8.0057 119.1823 59.5230 32.0005 178.9585 24 K 4.0278 8.2449 118.8033 59.3148 31.9421 179.4067 25 L 4.2084 8.2997 119.6178 57.8363 41.3350 179.3818 26 E 4.0426 8.2187 117.5933 59.4862 29.4944 178.8387 27 D 4.4725 7.9239 117.6200 57.2944 40.9987 178.5762 28 K 3.8052 7.8936 118.6491 58.5807 32.2447 176.5805 29 F 4.5202 8.2562 121.5649 57.5461 39.2722 175.0777 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 8.30 4.43 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 T 8.50 4.13 4.41 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 1.27 0.00 0.00 3 I 8.99 3.68 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 1.62 0.53 0.90 0.00 0.00 4 D 8.05 4.41 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.06 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 6 I 7.92 3.77 2.04 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 1.52 1.01 0.91 0.00 0.00 7 I 7.78 3.74 2.00 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 1.40 0.87 0.91 0.00 0.00 8 E 8.59 4.55 0.00 2.21 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 0.00 2.31 2.19 0.00 9 A 7.89 4.01 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 10 I 7.88 3.83 2.02 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 1.53 0.88 0.91 0.00 0.00 11 E 8.43 4.07 0.00 2.12 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 2.64 0.00 12 K 7.42 4.34 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.58 7.81 13 L 6.95 4.38 0.00 1.77 1.60 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.52 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 V 8.20 3.57 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 1.06 0.00 0.00 0.93 0.00 0.00 16 S 8.03 4.15 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 17 E 8.13 3.99 0.00 2.28 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 2.31 0.00 18 L 8.20 3.92 0.00 1.75 1.83 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.11 3.98 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 20 E 7.97 3.93 0.00 2.04 2.10 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 2.31 2.36 0.00 21 L 8.06 3.97 0.00 1.81 1.86 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.00 3.58 2.25 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 1.03 0.00 0.00 0.97 0.00 0.00 23 K 8.01 3.93 0.00 2.05 2.05 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 24 K 8.24 4.03 0.00 2.04 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.79 7.81 25 L 8.30 4.21 0.00 1.92 1.87 0.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.22 4.04 0.00 2.12 2.04 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 2.38 2.61 0.00 27 D 7.92 4.47 0.00 2.78 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 28 K 7.89 3.81 0.00 1.43 1.40 0.00 1.41 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.74 7.81 29 F 8.26 4.52 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00