NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4606 8.1627 120.3274 55.1074 34.1820 176.9257 2 E 3.9340 8.2245 119.2449 59.1327 29.2638 177.2197 3 T 3.8941 8.0589 115.9373 66.1413 68.8792 175.8226 4 L 3.8960 8.4583 122.7367 57.9881 42.3585 178.4811 5 K 3.9621 8.1939 119.1944 59.9195 32.0205 178.0737 6 I 3.6495 7.4252 119.2539 64.8799 37.2227 178.2550 7 T 3.8747 7.6798 115.9735 67.4769 68.2736 175.9039 8 V 3.5988 8.2757 119.6821 65.8661 31.2878 177.3158 9 Y 4.0997 8.6693 115.4188 61.4181 37.9537 179.2975 10 I 3.6959 7.8751 120.2869 64.3798 37.3031 178.2615 11 V 3.4865 7.5709 118.4831 66.4190 31.0823 177.8587 12 V 3.6706 7.7680 116.1935 66.5582 31.5996 177.5748 13 T 4.0457 8.5060 115.4935 66.6122 67.8737 175.9122 14 F 4.2799 8.8720 122.7751 61.9228 38.8696 176.9616 15 F 4.5231 7.9938 114.6216 58.5309 38.5978 177.3985 16 V 3.7520 8.4099 120.0391 65.6319 31.7650 177.8327 17 L 4.1375 7.9185 117.9864 57.6727 41.1461 179.1968 18 L 4.0831 7.6175 117.7703 57.2235 41.5676 178.6191 19 F 4.2359 7.8030 121.0527 61.1525 39.3694 176.8937 20 V 3.6576 8.7904 117.4635 67.0835 31.1861 177.7463 21 F 4.2130 8.9615 118.3023 59.2365 39.0024 177.1398 22 G 3.6264 7.7845 106.4794 45.4492 0.0000 175.4832 23 F 4.6167 7.8288 119.7953 59.8290 39.4966 178.2363 24 L 4.1504 8.2028 116.3413 56.1334 41.7711 177.1259 25 S 3.8864 7.3049 113.0891 57.3347 62.3846 175.5564 26 G 3.5398 8.7139 115.8437 48.4272 0.0000 173.4722 27 D 4.3732 7.4379 119.5155 56.4147 41.5773 175.6836 28 P 4.3520 0.0000 0.0000 63.7116 33.7840 179.7685 29 A 3.7094 7.6694 119.0489 53.0426 19.0816 179.2469 30 R 4.6009 8.6330 109.8982 55.8400 29.0148 174.2291 31 N 4.6253 8.2355 116.1656 51.9378 38.4278 173.8018 32 P 4.9386 0.0000 0.0000 60.8767 34.1554 174.0814 33 K 4.1849 8.5149 117.4786 59.1183 32.5273 178.6611 34 R 4.1579 7.8700 116.1987 58.0995 30.5131 176.5944 35 K 4.3013 7.6431 116.1189 55.4373 34.9789 173.7930 36 D 4.7068 8.7630 126.3182 52.5829 41.9838 175.7670 37 L 4.5111 8.4015 127.2561 53.3142 42.0740 175.8526 38 E 4.2705 8.3828 124.2766 56.4009 30.3720 176.0511 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 4.46 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 E 8.22 3.93 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 3 T 8.06 3.89 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 4 L 8.46 3.90 0.00 1.72 1.82 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.19 3.96 0.00 1.93 1.99 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.94 7.81 6 I 7.43 3.65 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.07 0.89 0.00 0.00 7 T 7.68 3.87 4.40 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 1.21 0.00 0.00 8 V 8.28 3.60 2.39 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 1.00 0.00 0.00 1.04 0.00 0.00 9 Y 8.67 4.10 0.00 3.21 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 10 I 7.88 3.70 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.79 0.00 0.00 11 V 7.57 3.49 2.21 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 1.13 0.00 0.00 1.01 0.00 0.00 12 V 7.77 3.67 2.17 0.00 0.00 0.00 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 0.88 0.00 0.00 13 T 8.51 4.05 4.32 0.00 0.00 0.00 0.00 0.00 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 14 F 8.87 4.28 0.00 2.90 2.85 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 0.00 0.00 0.00 0.00 15 F 7.99 4.52 0.00 3.21 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.41 3.75 2.26 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 1.24 0.00 0.00 0.99 0.00 0.00 17 L 7.92 4.14 0.00 1.69 1.43 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.62 4.08 0.00 1.76 1.65 0.60 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.80 4.24 0.00 3.08 3.28 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 0.00 0.00 0.00 0.00 20 V 8.79 3.66 2.38 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 1.19 0.00 0.00 1.17 0.00 0.00 21 F 8.96 4.21 0.00 3.28 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 22 G 7.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.83 4.62 0.00 3.07 2.85 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 0.00 0.00 0.00 0.00 24 L 8.20 4.15 0.00 1.37 1.56 0.77 0.81 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 25 S 7.30 3.89 0.00 4.12 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.37 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.19 2.27 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 29 A 7.67 3.71 1.06 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 0.00 0.00 30 R 8.63 4.60 0.00 1.87 1.91 0.00 3.02 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 31 N 8.24 4.63 0.00 2.90 3.01 0.00 0.00 6.72 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.94 0.00 2.18 2.12 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 33 K 8.51 4.18 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.45 7.81 34 R 7.87 4.16 0.00 1.84 1.97 0.00 3.46 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 35 K 7.64 4.30 0.00 1.66 1.63 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.43 7.81 36 D 8.76 4.71 0.00 2.68 2.81 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 37 L 8.40 4.51 0.00 1.55 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.38 4.27 0.00 1.93 1.76 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 2.19 2.26 0.00