NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2885 8.1127 121.1232 56.2630 31.7243 174.1150 5 E 4.5646 8.6217 126.4185 53.8321 31.1763 173.6561 6 C 4.3260 10.0958 127.7598 59.2264 32.9722 173.7638 7 D 4.4864 8.4105 126.0732 55.8376 40.7290 175.6619 8 Y 4.4254 7.4616 119.2532 58.3047 40.7858 176.3050 9 C 3.6797 8.7639 118.1124 59.1776 30.8252 174.6560 10 G 4.1445 7.5693 108.0834 46.9652 0.0000 172.9006 11 T 4.7422 7.5106 107.7086 58.9293 72.8257 172.8834 12 D 4.9497 8.5744 121.9538 54.5625 41.4731 176.2328 13 I 4.1723 8.4571 125.2589 59.8947 38.0969 175.2850 14 E 3.8565 9.0440 128.5381 55.5838 29.5919 174.6520 15 P 4.1529 0.0000 0.0000 64.7467 31.5114 176.1856 16 G 3.7554 10.3459 109.9856 46.0589 0.0000 172.4633 17 T 4.3745 7.7741 112.9059 63.1925 72.6971 174.4309 18 G 4.0574 8.6778 111.6419 45.5263 0.0000 172.3258 19 T 4.8775 8.4286 113.9418 61.7875 73.1329 173.1885 20 M 5.0597 8.5874 121.8407 53.9552 34.9540 174.0374 21 F 4.9649 9.7392 129.9012 56.9686 41.3081 174.6175 22 V 4.1772 8.1685 126.9200 61.7100 31.8411 175.2850 23 H 3.8282 8.1588 126.1487 54.8317 29.5182 176.8245 24 K 3.9244 8.5492 121.3218 59.7573 31.9383 177.5926 25 D 4.3939 7.9149 116.0852 54.2218 39.6517 176.7791 26 G 3.8957 7.7554 107.0141 44.7495 0.0000 173.4474 27 A 4.2369 9.3058 123.3137 52.7832 19.7660 176.4794 28 T 5.0323 8.1598 113.9403 62.3902 72.7769 174.3570 29 T 4.5749 8.8560 121.3674 62.2064 72.5449 172.7299 30 H 4.9507 9.7977 125.5800 55.0007 30.3137 174.4884 31 F 5.2048 9.5629 123.7405 55.8884 40.4708 177.0374 32 C 4.3879 9.2150 118.3752 60.2122 30.4903 173.4990 33 S 4.6137 7.6333 114.4559 56.2989 66.1559 176.1715 34 S 4.2814 8.2969 118.2804 61.0340 62.7904 175.9651 35 K 3.7535 8.1474 123.5472 59.5281 31.8146 178.1228 36 C 4.4294 8.0925 116.1509 62.7265 27.9513 175.7415 37 E 2.7922 7.7151 119.7800 59.2755 28.9124 179.1974 38 N 4.3329 8.3353 116.5024 56.5535 38.6494 177.3235 39 N 4.4705 8.2820 117.4734 56.0662 38.5190 177.4383 40 A 4.0168 7.6090 122.2976 55.2162 18.2372 179.3914 41 D 4.3078 7.6891 116.3928 57.2827 40.9525 178.2881 42 L 4.3182 7.5542 116.5472 54.8901 41.6486 177.7224 43 G 3.9523 8.1378 107.5978 45.9676 0.0000 173.9803 44 R 4.2534 7.8447 118.0252 55.3129 30.8482 176.1115 45 E 4.4995 8.5469 120.9546 55.9430 30.6290 177.8726 46 A 3.1080 7.4132 127.6505 54.8163 19.3168 179.3599 47 R 3.7195 7.7240 113.1775 58.9863 30.1140 177.3937 48 N 4.4955 9.2596 113.1089 53.2917 39.3167 174.7762 49 L 4.4571 7.5799 120.1720 52.7273 42.0626 176.9061 50 E 4.1253 8.9419 124.9489 59.0428 29.4665 178.5270 51 W 4.5421 7.8207 112.9050 57.2268 28.9649 176.6165 52 T 3.4966 7.4796 118.6134 63.1978 68.2071 175.0824 53 D 4.3241 8.5650 125.4500 57.4623 41.6925 177.8220 54 T 3.8337 7.7036 115.3074 66.4084 68.3472 175.3396 55 A 3.7416 7.3669 122.1491 53.9983 18.4445 177.4441 56 R 4.1553 6.7903 117.3952 55.1833 29.7533 177.1288 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 4 R 8.11 4.29 0.00 1.88 1.85 0.00 3.05 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 5 E 8.62 4.56 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 6 C 10.10 4.33 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.41 4.49 0.00 2.63 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 8 Y 7.46 4.43 0.00 2.94 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 9 C 8.76 3.68 0.00 3.08 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.57 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 0.00 0.00 0.00 11 T 7.51 4.74 4.28 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 1.32 0.00 0.00 12 D 8.57 4.95 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.17 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.96 0.00 0.00 14 E 9.04 3.86 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 15 P 0.00 4.15 0.00 2.22 2.09 0.00 3.87 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 2.01 2.00 0.00 16 G 10.35 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.77 4.37 4.54 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 1.25 0.00 0.00 18 G 8.68 4.06 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 0.00 19 T 8.43 4.88 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 1.27 0.00 0.00 20 M 8.59 5.06 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.37 0.00 21 F 9.74 4.96 0.00 3.23 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 22 V 8.17 4.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 23 H 8.16 3.83 0.00 3.25 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.55 3.92 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 25 D 7.91 4.39 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 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 0.00 0.00 0.00 27 A 9.31 4.24 1.21 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 0.00 0.00 0.00 28 T 8.16 5.03 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 1.14 0.00 0.00 29 T 8.86 4.57 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 0.52 0.00 0.00 30 H 9.80 4.95 0.00 3.06 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.56 5.20 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.22 4.39 0.00 3.17 3.17 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 33 S 7.63 4.61 0.00 4.05 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 34 S 8.30 4.28 0.00 4.00 4.11 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 35 K 8.15 3.75 0.00 1.78 1.89 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.57 1.48 7.81 36 C 8.09 4.43 0.00 3.42 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.72 2.79 0.00 1.87 1.34 0.00 0.00 0.00 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 2.25 0.00 38 N 8.34 4.33 0.00 2.77 2.81 0.00 0.00 7.12 6.96 0.00 0.00 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 N 8.28 4.47 0.00 3.06 3.20 0.00 0.00 6.94 7.67 0.00 0.00 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 A 7.61 4.02 1.18 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 0.00 0.00 0.00 41 D 7.69 4.31 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.32 0.00 1.76 1.74 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.14 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.84 4.25 0.00 2.18 1.98 0.00 3.40 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 45 E 8.55 4.50 0.00 1.98 1.85 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 2.36 2.30 0.00 46 A 7.41 3.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.72 3.72 0.00 1.72 1.94 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 48 N 9.26 4.50 0.00 2.75 2.83 0.00 0.00 6.91 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.58 4.46 0.00 0.90 1.13 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.94 4.13 0.00 2.02 2.11 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 2.32 2.34 0.00 51 W 7.82 4.54 0.00 3.57 3.21 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 0.00 52 T 7.48 3.50 3.95 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 0.00 0.00 0.82 0.00 0.00 53 D 8.56 4.32 0.00 2.64 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.70 3.83 3.99 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 1.09 0.00 0.00 55 A 7.37 3.74 1.11 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 0.00 0.00 56 R 6.79 4.16 0.00 1.88 1.90 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00