NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3157 8.1631 117.3742 63.0083 69.9211 173.4831 2 G 3.4978 8.5161 115.2618 45.1218 0.0000 172.0964 3 A 4.3777 8.1034 124.9176 53.0652 21.1141 177.4073 4 G 4.3681 7.4352 110.8664 44.6498 0.0000 175.6719 5 T 3.9070 9.1333 121.4635 66.1954 68.1766 173.6347 6 P 4.3287 0.0000 0.0000 65.6196 31.2529 177.7359 7 S 4.4229 7.8386 113.4228 59.5836 62.8034 175.7156 8 Q 4.3360 7.8735 120.8382 57.8220 28.7561 177.3921 9 G 3.7105 7.6477 108.9168 48.5055 0.0000 175.2885 10 K 4.3525 7.9683 115.8016 56.9096 31.9599 178.1733 11 K 4.3881 7.4229 121.6923 55.0361 30.2868 175.8663 12 N 5.0485 8.0398 117.5704 52.4483 38.3910 175.3546 13 T 4.4718 7.8882 114.2273 63.3106 70.1225 174.1184 14 T 4.5940 8.2649 120.5740 62.0178 70.3019 172.4500 15 T 4.3150 7.6006 113.8757 62.9877 71.1459 172.9487 16 H 4.9324 8.1837 118.7555 55.1494 30.0674 174.8463 17 T 4.8270 9.2982 112.8492 59.0687 72.9859 172.9896 18 K 4.2173 8.8160 123.0899 57.4537 32.8028 175.3647 19 C 4.2119 9.1093 128.8692 58.6782 32.0112 174.1458 20 R 3.6821 8.5169 126.9676 59.3679 29.7508 177.3738 21 R 3.7288 7.1465 116.8040 58.4820 30.3781 176.8010 22 C 4.1614 7.8114 111.3413 58.4654 30.4443 174.7193 23 G 3.9059 8.2229 107.6806 44.9936 0.0000 173.0287 24 E 4.3314 7.6579 119.0623 54.7862 31.3128 176.3387 25 K 4.6134 8.1583 124.8322 55.8987 29.8747 176.5263 26 S 4.7679 7.8061 113.7473 58.0635 66.6876 174.4672 27 Y 4.6844 8.7813 123.7627 57.0094 39.0962 174.0318 28 H 4.3841 8.8111 128.3977 56.3334 30.1957 175.6224 29 T 3.5865 9.2328 122.8376 63.8342 66.9595 175.1529 30 K 4.2492 8.1355 119.1643 58.4049 33.0166 177.6286 31 K 4.0710 7.7906 115.8657 55.8882 32.8005 176.3947 32 K 3.2317 8.1712 117.8339 56.7727 30.1369 175.5706 33 V 4.6502 6.8809 115.8757 61.3295 34.9428 172.7626 34 C 5.1855 9.1333 127.4958 58.3610 32.2740 174.2219 35 S 4.5505 8.8277 121.1827 59.5197 63.3188 174.4682 36 S 4.6134 8.2681 115.0100 59.5904 63.5861 174.0959 37 C 4.5910 8.1157 112.3308 57.2703 30.9538 174.8834 38 G 4.0359 8.2686 109.2179 45.9389 0.0000 172.8650 39 F 4.5353 8.1282 122.5145 59.2751 39.7065 175.9049 40 G 3.8052 8.9938 115.9848 45.0703 0.0000 172.8693 41 K 4.3246 7.7646 117.4919 57.2467 34.1328 175.6938 42 S 4.7311 8.1737 111.6427 55.9605 64.7367 173.6928 43 A 4.1708 8.7257 130.3049 55.1649 18.4514 178.4597 44 K 4.2642 7.6959 113.1379 56.1539 32.8908 176.7358 45 R 4.4326 8.1524 120.0618 55.6114 30.9861 176.6464 46 R 3.8851 8.8850 124.8127 56.8964 30.5791 175.3368 47 D 4.5803 7.5452 123.1656 53.6970 44.3196 174.0591 48 Y 4.4734 8.5337 122.0720 55.9334 41.6049 176.2728 49 E 4.1185 8.7306 122.0830 57.8897 29.4618 177.5643 50 W 4.7958 7.3957 115.5213 56.5060 28.7618 177.3837 51 Q 4.2280 7.7435 118.0909 57.2882 28.3683 175.3385 52 S 4.7707 7.3973 111.3991 56.0365 66.6418 173.8519 53 K 4.1483 8.5635 119.4591 56.1976 32.4738 178.1147 54 A 3.9371 8.6218 126.1382 55.4004 18.5617 180.2155 55 G 4.1204 7.6740 102.9509 44.3906 0.0000 173.2879 56 E 4.2317 8.1060 124.8023 56.4662 29.9307 174.2009 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 T 8.16 4.32 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 2 G 8.52 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.38 1.29 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 0.00 0.00 4 G 7.44 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 0.00 0.00 0.00 0.00 5 T 9.13 3.91 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 6 P 0.00 4.33 0.00 2.26 2.31 0.00 3.65 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 2.24 2.05 0.00 7 S 7.84 4.42 0.00 4.14 3.93 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 0.00 0.00 0.00 8 Q 7.87 4.34 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 9 G 7.65 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.97 4.35 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 11 K 7.42 4.39 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 12 N 8.04 5.05 0.00 2.77 2.82 0.00 0.00 6.31 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.89 4.47 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 14 T 8.26 4.59 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 15 T 7.60 4.32 3.64 0.00 0.00 0.00 0.00 0.00 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 16 H 8.18 4.93 0.00 3.07 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.30 4.83 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 1.31 0.00 0.00 18 K 8.82 4.22 0.00 1.80 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 19 C 9.11 4.21 0.00 3.19 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 20 R 8.52 3.68 0.00 1.53 1.44 0.00 3.12 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 21 R 7.15 3.73 0.00 0.67 1.53 0.00 3.28 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.30 0.00 22 C 7.81 4.16 0.00 3.10 3.02 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 23 G 8.22 3.91 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 0.00 0.00 0.00 24 E 7.66 4.33 0.00 1.94 1.90 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 2.38 2.27 0.00 25 K 8.16 4.61 0.00 1.80 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.52 7.81 26 S 7.81 4.77 0.00 3.87 3.88 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 0.00 0.00 0.00 27 Y 8.78 4.68 0.00 3.10 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 28 H 8.81 4.38 0.00 3.14 3.05 0.00 5.66 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.23 3.59 4.22 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 1.19 0.00 0.00 30 K 8.14 4.25 0.00 1.80 1.81 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 31 K 7.79 4.07 0.00 1.53 1.72 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 0.89 7.81 32 K 8.17 3.23 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.49 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.47 7.81 33 V 6.88 4.65 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 1.03 0.00 0.00 1.03 0.00 0.00 34 C 9.13 5.19 0.00 3.40 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 35 S 8.83 4.55 0.00 4.13 4.10 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 0.00 0.00 0.00 0.00 36 S 8.27 4.61 0.00 3.90 3.96 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 37 C 8.12 4.59 0.00 3.14 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 38 G 8.27 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 0.00 0.00 0.00 39 F 8.13 4.54 0.00 3.07 3.04 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 40 G 8.99 3.81 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 0.00 0.00 0.00 41 K 7.76 4.32 0.00 1.68 1.96 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.40 7.81 42 S 8.17 4.73 0.00 3.82 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 43 A 8.73 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.26 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.45 7.81 45 R 8.15 4.43 0.00 1.65 1.83 0.00 3.37 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 46 R 8.89 3.89 0.00 1.86 1.99 0.00 3.46 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 47 D 7.55 4.58 0.00 2.52 2.22 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 48 Y 8.53 4.47 0.00 1.43 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 4.12 0.00 2.01 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 0.00 2.28 2.25 0.00 50 W 7.40 4.80 0.00 3.46 3.32 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 0.00 51 Q 7.74 4.23 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 52 S 7.40 4.77 0.00 3.85 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 53 K 8.56 4.15 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.40 7.81 54 A 8.62 3.94 1.32 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 0.00 0.00 0.00 55 G 7.67 4.12 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 0.00 0.00 0.00 56 E 8.11 4.23 0.00 1.94 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 2.24 2.25 0.00