NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3579 8.3044 120.3481 55.8987 33.3422 175.0239 2 E 4.2233 8.5152 113.4200 55.3565 29.2371 171.0333 3 V 4.0597 7.3888 112.8971 60.0562 34.7458 175.0440 4 N 4.5910 8.3531 118.7223 53.4637 39.4207 176.0281 5 Q 4.0160 8.6986 124.4460 58.9364 29.1923 177.4433 6 L 4.2705 8.2671 116.4600 55.6778 42.5303 178.8682 7 G 3.7871 7.7893 106.6119 47.8447 0.0000 175.2476 8 L 3.9380 7.8732 122.2762 58.0531 42.2245 178.8892 9 I 3.7011 7.7593 117.6114 63.7726 37.9342 177.5354 10 A 4.0657 8.4737 122.4684 55.4088 18.2878 179.7861 11 T 3.8969 8.1950 114.1586 66.4039 68.5462 177.0041 12 A 4.0111 8.3428 123.0524 55.4246 18.4139 179.8615 13 L 4.2787 8.1188 117.1368 57.5858 41.4046 179.5320 14 F 4.0138 8.0144 119.8875 60.4900 39.4144 176.9471 15 V 3.9879 7.6967 117.3526 65.8408 31.6638 177.3534 16 L 3.9933 8.4874 119.0031 57.7055 41.4154 179.4307 17 V 3.5718 7.8617 117.6003 66.2424 31.6638 176.8276 18 P 4.3319 0.0000 0.0000 65.7596 31.2263 178.5844 19 S 4.1440 7.8970 115.3356 61.5160 62.7657 176.6450 20 V 3.6039 8.5807 121.4090 66.3102 31.2397 177.1945 21 F 4.2436 8.3079 120.5659 60.7741 39.0769 176.6172 22 L 3.5841 8.4731 118.0471 58.2250 41.7712 179.6803 23 I 3.7143 7.9140 119.2131 64.7751 37.1286 178.3932 24 I 3.7040 7.8327 120.2340 64.5999 36.9287 178.2133 25 L 3.8235 7.5844 119.2591 57.4747 41.4536 178.4967 26 Y 4.0870 8.2243 119.4007 61.1812 38.8244 179.0422 27 V 3.4204 7.9792 118.9338 65.8935 31.4250 177.9496 28 Q 4.0207 7.6998 116.1987 59.4992 28.6508 177.9942 29 T 3.8992 8.3232 118.9544 65.7851 68.2905 176.1562 30 E 3.3620 8.0007 123.1565 59.0908 29.8565 178.3347 31 S 4.5431 7.5937 110.5748 57.8843 63.2819 173.7153 32 Q 4.0751 8.4322 122.0013 55.4466 28.7999 175.9326 33 Q 3.8983 8.7787 124.1860 56.3966 29.6793 176.3789 34 K 4.1538 8.5436 120.8565 56.9224 33.2345 174.1680 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 4.36 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 E 8.52 4.22 0.00 2.02 1.88 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 2.23 2.45 0.00 3 V 7.39 4.06 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 4 N 8.35 4.59 0.00 2.71 2.66 0.00 0.00 6.92 6.88 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 5 Q 8.70 4.02 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 6 L 8.27 4.27 0.00 1.74 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.87 3.94 0.00 1.77 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.76 3.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.20 1.01 0.00 0.00 10 A 8.47 4.07 1.41 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 0.00 0.00 11 T 8.19 3.90 4.38 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 1.22 0.00 0.00 12 A 8.34 4.01 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 13 L 8.12 4.28 0.00 1.77 1.76 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.01 4.01 0.00 3.26 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 15 V 7.70 3.99 2.27 0.00 0.00 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 1.09 0.00 0.00 16 L 8.49 3.99 0.00 1.76 1.67 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.86 3.57 2.18 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 0.99 0.00 0.00 0.92 0.00 0.00 18 P 0.00 4.33 0.00 2.23 2.12 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.76 0.00 19 S 7.90 4.14 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.58 3.60 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 1.04 0.00 0.00 0.95 0.00 0.00 21 F 8.31 4.24 0.00 3.11 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 22 L 8.47 3.58 0.00 1.86 1.69 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.91 3.71 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 1.51 1.14 0.95 0.00 0.00 24 I 7.83 3.70 1.95 0.00 0.00 0.89 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 1.14 0.88 0.00 0.00 25 L 7.58 3.82 0.00 1.67 1.53 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.22 4.09 0.00 3.02 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 27 V 7.98 3.42 2.18 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 0.96 0.00 0.00 1.02 0.00 0.00 28 Q 7.70 4.02 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 29 T 8.32 3.90 4.21 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 1.12 0.00 0.00 30 E 8.00 3.36 0.00 1.16 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 0.00 2.06 2.17 0.00 31 S 7.59 4.54 0.00 3.99 3.86 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 32 Q 8.43 4.08 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 33 Q 8.78 3.90 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.02 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 34 K 8.54 4.15 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.46 7.81