NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3326 8.2644 123.5830 51.8600 19.5183 175.9444 3 K 4.3297 8.4108 123.5876 54.2203 35.0667 173.1582 4 H 4.4001 10.4130 127.4724 55.8482 31.6684 173.5113 5 P 3.7983 0.0000 0.0000 62.0452 27.7796 175.4772 6 V 3.8763 8.0385 116.4736 60.2170 32.3346 175.0421 7 P 4.3789 0.0000 0.0000 65.8706 32.5057 179.7437 8 K 3.6653 8.7446 116.3453 56.1869 31.1493 177.8670 9 K 4.0396 9.2479 119.7058 57.6703 33.5243 176.7210 10 K 4.7308 8.3069 120.1982 55.1056 35.5352 176.7738 11 T 4.7799 7.7959 106.9783 60.8473 69.6484 173.6429 12 S 4.7999 7.5431 132.1000 58.0733 61.8131 178.5592 13 K 4.1029 8.6054 121.0361 56.9896 31.6776 172.5018 14 S 4.0108 8.1447 113.0228 59.3177 61.2627 173.7247 15 K 4.2157 7.3268 122.5298 57.1889 34.4198 177.8996 16 R 3.9276 8.7474 120.5839 57.4901 28.7315 176.1056 17 D 4.7601 7.6896 112.3848 56.1972 43.5227 176.8194 18 M 4.6761 7.7237 117.8793 54.4187 30.2736 176.9992 19 R 4.6265 7.4897 111.9696 56.1720 34.8677 176.0955 20 R 4.6635 7.1588 116.5824 53.4229 29.4994 173.4933 21 S 4.5700 7.5559 113.1610 59.2733 68.7382 174.9162 22 H 4.5792 8.3633 117.8553 56.2633 28.9628 173.9184 23 H 4.7657 7.5496 116.6780 53.6627 37.4654 174.2365 24 A 3.6934 7.4669 123.2264 51.0505 18.5336 176.7154 25 L 4.3102 7.0743 110.7762 53.7233 45.2549 175.4440 26 T 3.8767 8.6953 121.3909 64.0892 68.6552 170.2399 27 A 3.8837 7.5966 132.5530 50.9400 20.5149 174.1942 28 P 4.7415 0.0000 0.0000 61.7082 31.0501 176.0004 29 N 4.0550 9.1858 111.6689 53.6200 35.5364 171.1081 30 L 4.5313 7.7400 117.4822 54.8259 44.6899 176.9979 31 T 4.6860 7.4757 113.9696 62.1534 72.3124 174.4960 32 E 4.5948 7.7726 119.3499 55.4962 30.2509 172.6875 33 C 4.0792 7.9463 121.6226 58.1570 28.6281 172.0882 34 P 4.4194 0.0000 0.0000 65.5066 30.5838 176.7223 35 Q 4.4419 7.1648 112.7940 57.1637 31.8784 175.5694 36 C 4.3613 8.0062 119.0315 61.0711 31.0362 175.6749 37 H 3.6458 9.0275 123.1308 56.3302 29.6079 177.8292 38 G 5.0172 5.3800 118.8953 45.4721 0.0000 171.6463 39 K 4.3579 8.1293 124.5589 54.4881 33.5703 177.6257 40 K 4.2871 9.4313 129.9843 55.7948 33.2128 176.2531 41 L 3.5050 7.5947 116.4946 54.6248 40.6047 174.4714 42 S 4.3365 8.3708 111.1247 58.9021 60.6158 173.7144 43 H 4.1028 8.7608 125.9776 56.0557 25.6765 175.2745 44 H 4.7161 9.0609 119.0131 55.5482 32.4308 172.1784 45 I 3.5158 8.6329 126.5615 61.0534 39.3734 174.3316 46 C 3.2374 7.6677 113.7409 57.8274 29.4085 172.3946 47 P 4.4668 0.0000 0.0000 62.8852 30.9130 173.8909 48 N 4.3944 8.5515 118.3728 54.7976 36.9813 176.2690 49 C 3.8727 9.1225 126.1788 60.6646 29.4062 173.4038 50 G 3.9370 7.4706 107.3271 44.5756 0.0000 173.0909 51 Y 4.9434 7.1142 113.1665 55.8912 40.6458 174.2063 52 Y 4.4877 8.6981 119.7859 59.0064 38.8826 175.0723 53 D 4.3734 7.0913 122.8124 54.2527 44.5036 175.8140 54 G 3.7595 7.2316 106.0408 44.1436 0.0000 171.9900 55 R 3.4777 6.8260 117.9449 54.4927 30.3564 175.0853 56 Q 4.4780 9.0851 125.5121 56.1947 31.9266 173.6807 57 V 3.3485 8.2783 119.1132 65.6681 31.5292 171.2626 58 L 4.2582 8.3425 113.5229 54.3593 44.6775 174.8455 59 A 4.1602 9.0670 127.6583 52.8607 18.1406 177.0620 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 2 A 8.26 4.33 1.28 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 0.00 0.00 3 K 8.41 4.33 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 4 H 10.41 4.40 0.00 3.11 3.21 0.00 5.99 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 3.80 0.00 2.01 2.13 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 6 V 8.04 3.88 2.08 0.00 0.00 0.00 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 7 P 0.00 4.38 0.00 2.17 2.19 0.00 3.91 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 1.99 2.00 0.00 8 K 8.74 3.67 0.00 1.88 1.48 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 K 9.25 4.04 0.00 1.86 1.82 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 10 K 8.31 4.73 0.00 1.72 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.55 7.81 11 T 7.80 4.78 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 12 S 7.54 4.80 0.00 3.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.61 4.10 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 14 S 8.14 4.01 0.00 4.08 3.92 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 15 K 7.33 4.22 0.00 1.75 1.71 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.36 7.81 16 R 8.75 3.93 0.00 2.01 2.00 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 17 D 7.69 4.76 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.72 4.68 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 19 R 7.49 4.63 0.00 1.75 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 R 7.16 4.66 0.00 1.78 1.82 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 21 S 7.56 4.57 0.00 3.82 3.80 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 0.00 0.00 0.00 22 H 8.36 4.58 0.00 3.18 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.55 4.77 0.00 3.08 3.15 0.00 6.13 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.47 3.69 1.26 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 0.00 0.00 25 L 7.07 4.31 0.00 1.56 1.42 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 3.88 4.23 0.00 0.00 0.00 0.00 0.00 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 27 A 7.60 3.88 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 28 P 0.00 4.74 0.00 2.13 1.17 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 29 N 9.19 4.05 0.00 2.86 2.87 0.00 0.00 6.69 7.78 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 30 L 7.74 4.53 0.00 1.65 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.48 4.69 4.26 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 1.23 0.00 0.00 32 E 7.77 4.59 0.00 2.00 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 2.27 2.36 0.00 33 C 7.95 4.08 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.24 2.44 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 35 Q 7.16 4.44 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 36 C 8.01 4.36 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 9.03 3.65 0.00 3.13 2.67 0.00 6.07 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 5.38 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.36 0.00 1.66 1.52 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.46 7.81 40 K 9.43 4.29 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 L 7.59 3.50 0.00 1.86 1.73 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.34 0.00 3.81 3.78 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 0.00 0.00 0.00 43 H 8.76 4.10 0.00 3.34 3.37 0.00 5.76 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.06 4.72 0.00 3.03 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.63 3.52 1.83 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.98 0.00 0.00 46 C 7.67 3.24 0.00 2.95 2.40 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 47 P 0.00 4.47 0.00 2.11 2.36 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 48 N 8.55 4.39 0.00 2.67 2.43 0.00 0.00 7.14 7.66 0.00 0.00 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 C 9.12 3.87 0.00 2.45 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.47 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.11 4.94 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.70 4.49 0.00 3.09 3.14 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 53 D 7.09 4.37 0.00 1.81 2.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.23 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 55 R 6.83 3.48 0.00 1.77 1.77 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 56 Q 9.09 4.48 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 V 8.28 3.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 58 L 8.34 4.26 0.00 1.60 1.48 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.07 4.16 1.24 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 0.00 0.00 0.00