NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.4590 8.4444 120.3909 57.0346 31.4240 172.4116 2 S 3.3820 8.1399 117.5951 59.0298 60.0343 170.0358 3 S 4.5669 7.6836 118.8801 57.4373 65.9771 174.2426 4 G 3.5278 8.5735 112.3707 46.7404 0.0000 174.0746 5 Y 4.4144 8.3355 115.8189 56.5590 42.6388 173.4145 6 T 4.7512 7.8709 122.5958 62.5575 72.8780 174.8142 7 R 4.6653 8.1416 125.0924 54.8333 30.9091 172.2523 8 P 4.5796 0.0000 0.0000 61.3329 32.8717 177.1834 9 L 4.1394 8.2003 119.0748 55.1022 42.1016 176.9682 10 R 4.5965 8.0608 120.7876 54.3655 33.1355 175.0841 11 K 4.2912 8.4491 123.9867 55.2823 33.0745 175.5629 12 P 4.6047 0.0000 0.0000 61.9968 33.2693 175.5381 13 S 4.1512 8.5111 114.2428 59.4352 63.0644 174.6230 14 R 4.2644 8.3304 124.2413 54.8017 30.8264 174.6516 15 P 4.5154 0.0000 0.0000 62.1528 32.1513 176.1122 16 I 4.0606 8.0169 113.0336 61.2080 38.3135 174.3907 17 F 4.5938 7.9781 121.2591 57.1090 41.7462 173.0875 18 I 3.8308 6.4169 118.0753 60.3192 38.0289 175.5186 19 R 4.4807 8.0061 117.7286 54.1699 30.6718 174.1333 20 P 4.5406 0.0000 0.0000 62.1498 32.1109 175.8850 21 I 3.8536 7.8326 119.7564 61.4792 37.8328 175.7665 22 G 4.3512 8.6372 115.4560 46.6854 0.0000 177.1598 23 C 4.2018 7.5256 117.2813 58.9709 40.4070 174.6364 24 D 4.4597 7.8061 116.6550 55.0575 40.7959 176.9725 25 V 4.4585 7.4487 118.8114 60.8349 31.5534 174.6256 26 C 3.9462 7.9306 119.4018 59.0022 40.6715 174.0972 27 Y 4.7210 6.7494 115.8837 56.9764 38.9891 174.8632 28 G 4.1668 9.1562 114.0678 46.0161 0.0000 174.2174 29 I 4.0665 7.3775 112.0099 59.2577 38.7811 174.2733 30 P 4.4864 0.0000 0.0000 62.4632 33.2761 177.1508 31 S 4.0577 8.5822 113.6386 61.6978 62.3667 176.4876 32 S 4.0719 8.0085 115.1943 61.8219 62.2193 176.2042 33 T 3.8982 7.8726 117.6784 66.4430 68.2613 176.3887 34 A 3.9934 8.3698 123.1652 55.2629 18.3662 179.9141 35 R 3.8843 8.3804 116.9216 59.3388 30.0645 179.0850 36 L 4.2027 7.9428 119.9949 58.4966 42.0957 178.4231 37 C 4.4690 8.8729 116.8873 59.8619 35.0489 175.0608 38 C 4.4641 8.1570 121.4295 58.3870 43.1757 175.3893 39 F 4.1491 8.7091 122.0632 60.7366 39.0331 176.6064 40 R 3.7791 8.1346 116.3799 58.3396 30.7510 177.5275 41 Y 3.9220 8.0057 114.8690 59.4014 38.3145 177.0008 42 G 4.3843 8.9209 106.6926 44.9051 0.0000 172.5642 43 D 4.8802 7.9128 118.6815 53.2120 43.3044 176.2959 44 C 3.7747 8.3976 114.6059 58.6472 37.4348 175.9280 45 C 4.4245 8.2947 116.7165 59.3286 40.6762 175.4586 46 H 4.6009 7.7819 120.6413 54.3665 27.3235 175.2424 47 L 4.3323 7.9947 122.2354 54.7026 41.6405 176.8786 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 H 8.44 4.46 0.00 3.10 3.30 0.00 6.04 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.14 3.38 0.00 4.11 3.85 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 3 S 7.68 4.57 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 4.41 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.75 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 1.20 0.00 0.00 7 R 8.14 4.67 0.00 1.81 1.85 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 8 P 0.00 4.58 0.00 2.22 2.04 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 L 8.20 4.14 0.00 1.66 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.06 4.60 0.00 1.69 1.72 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 11 K 8.45 4.29 0.00 1.78 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 12 P 0.00 4.60 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 13 S 8.51 4.15 0.00 3.88 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 14 R 8.33 4.26 0.00 1.80 1.84 0.00 3.34 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 15 P 0.00 4.52 0.00 2.23 2.07 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 16 I 8.02 4.06 1.92 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 1.33 0.53 0.94 0.00 0.00 17 F 7.98 4.59 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.42 3.83 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.48 0.50 0.00 0.00 19 R 8.01 4.48 0.00 2.04 2.06 0.00 2.83 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 20 P 0.00 4.54 0.00 2.21 2.18 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 21 I 7.83 3.85 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.89 0.00 0.00 22 G 8.64 4.35 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 0.00 23 C 7.53 4.20 0.00 2.48 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 24 D 7.81 4.46 0.00 2.60 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 4.46 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 1.02 0.00 0.00 0.91 0.00 0.00 26 C 7.93 3.95 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.75 4.72 0.00 3.04 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 28 G 9.16 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.38 4.07 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.60 0.99 0.00 0.00 30 P 0.00 4.49 0.00 2.28 2.21 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 31 S 8.58 4.06 0.00 3.91 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 32 S 8.01 4.07 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.87 3.90 4.37 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 1.19 0.00 0.00 34 A 8.37 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.38 3.88 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 36 L 7.94 4.20 0.00 1.91 1.88 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.87 4.47 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.16 4.46 0.00 3.32 3.27 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 0.00 0.00 0.00 0.00 39 F 8.71 4.15 0.00 3.01 3.26 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 40 R 8.13 3.78 0.00 2.13 1.69 0.00 3.16 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.75 0.00 41 Y 8.01 3.92 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.92 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 0.00 0.00 0.00 0.00 43 D 7.91 4.88 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.40 3.77 0.00 3.06 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.29 4.42 0.00 2.99 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 46 H 7.78 4.60 0.00 3.17 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.99 4.33 0.00 1.65 1.63 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00