NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4365 8.1633 120.3513 55.2885 34.8209 177.0617 2 I 3.4859 7.8118 118.7939 63.8363 37.3640 176.6562 3 L 3.9032 8.0749 121.0101 58.1591 42.3578 178.1510 4 G 3.8147 8.4226 104.9455 47.8066 0.0000 175.1137 5 A 4.0337 8.4021 123.3821 54.5551 18.5342 179.7900 6 V 3.5025 7.7888 116.4751 66.1450 31.5459 177.8353 7 F 4.4963 7.7442 117.1772 61.3741 38.8991 176.6106 8 Y 4.4722 8.9856 118.7412 61.4345 38.3620 178.2982 9 I 3.7201 8.3928 119.9656 64.6009 37.4096 178.7623 10 V 3.6199 8.3760 119.2658 65.8760 31.4672 177.5708 11 F 4.1310 9.2132 121.5546 61.5384 39.1598 176.9784 12 I 3.7258 8.2755 119.2443 64.4260 36.9051 178.0548 13 A 4.0641 8.2494 121.6928 55.3298 18.2635 179.1180 14 L 3.8614 8.4758 118.9636 58.6316 41.9873 179.3810 15 F 3.9584 8.3442 117.1326 60.2156 39.0106 177.3023 16 F 4.0477 9.3007 121.5226 61.6806 39.0885 177.0323 17 G 3.9805 9.0463 105.4847 48.6130 0.0000 175.4370 18 I 3.8553 7.8285 122.1655 63.8430 37.0982 178.0260 19 A 3.9313 8.3961 122.2077 54.8657 18.0374 179.4429 20 V 3.5130 8.2235 115.5611 66.0978 31.7454 178.3897 21 G 4.0297 8.6413 105.4775 48.4951 0.0000 175.5712 22 I 3.7860 8.1869 123.0924 63.7765 36.7991 178.2478 23 I 3.5216 7.6177 120.7471 64.5618 36.6178 178.1987 24 F 4.3200 7.7029 117.6034 60.5842 38.7178 177.3404 25 A 4.3308 7.8792 119.3692 55.8193 18.3800 179.5511 26 I 3.8247 8.1933 118.3070 64.4909 37.0863 178.3000 27 K 4.0811 9.6915 121.1096 59.1201 31.9338 180.1882 28 S 4.7388 9.2455 114.6196 58.4578 62.4014 174.6951 29 I 4.6139 7.8204 119.0885 61.9480 38.6633 175.4031 30 K 3.9162 8.2707 116.8229 57.8025 29.1007 176.4223 31 L 4.5481 7.6524 118.3944 55.2074 42.8020 177.1004 32 I 4.1641 7.3896 123.7546 61.5664 38.1683 174.5803 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 8.16 4.44 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 I 7.81 3.49 1.85 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 1.51 0.29 0.88 0.00 0.00 3 L 8.07 3.90 0.00 1.71 1.69 0.42 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.42 3.81 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 0.00 0.00 0.00 5 A 8.40 4.03 1.40 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 0.00 0.00 6 V 7.79 3.50 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.88 0.00 0.00 7 F 7.74 4.50 0.00 3.50 3.16 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 8 Y 8.99 4.47 0.00 3.10 3.25 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 9 I 8.39 3.72 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.93 0.95 0.00 0.00 10 V 8.38 3.62 2.24 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 0.96 0.00 0.00 1.07 0.00 0.00 11 F 9.21 4.13 0.00 3.38 2.99 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 0.00 0.00 0.00 12 I 8.28 3.73 1.74 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.12 0.95 0.00 0.00 13 A 8.25 4.06 1.43 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 0.00 0.00 0.00 14 L 8.48 3.86 0.00 1.95 1.82 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.34 3.96 0.00 3.46 3.15 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 0.00 0.00 0.00 16 F 9.30 4.05 0.00 3.21 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 17 G 9.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.86 1.91 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.58 0.86 0.00 0.00 19 A 8.40 3.93 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 20 V 8.22 3.51 2.42 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 1.28 0.00 0.00 1.23 0.00 0.00 21 G 8.64 4.03 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 0.00 0.00 0.00 22 I 8.19 3.79 2.01 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 1.62 0.87 0.89 0.00 0.00 23 I 7.62 3.52 0.96 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.58 0.00 0.00 24 F 7.70 4.32 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.88 4.33 1.35 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 0.00 0.00 26 I 8.19 3.82 2.11 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 1.63 0.89 0.00 0.00 27 K 9.69 4.08 0.00 1.98 1.95 0.00 1.53 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.45 7.81 28 S 9.25 4.74 0.00 3.91 4.04 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 29 I 7.82 4.61 1.94 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 1.32 1.02 0.92 0.00 0.00 30 K 8.27 3.92 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.45 7.81 31 L 7.65 4.55 0.00 1.86 1.70 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.39 4.16 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.46 0.89 0.00 0.00