NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3309 0.0000 0.0000 62.3677 32.6247 176.2343 2 K 4.1624 8.2003 123.9625 54.5740 32.8628 172.8312 3 I 3.9032 8.0287 126.7221 60.2709 38.6367 175.6078 4 K 4.2947 8.1377 125.0760 55.5753 32.8076 174.9428 5 T 3.8226 7.8953 121.2745 61.3837 66.2728 174.0567 6 V 3.7157 8.4109 122.5906 63.3864 31.9551 178.3852 7 R 4.1878 7.9852 118.7962 57.9285 30.6388 177.2628 8 G 4.0624 8.7397 107.1075 48.4755 0.0000 174.2427 9 A 4.6336 8.1334 121.5073 52.8767 19.7365 178.4033 10 A 4.2300 7.8175 117.5129 53.6165 18.4962 177.3484 11 K 4.3910 8.1173 116.6621 55.8506 35.5441 173.5079 12 R 3.1691 9.3274 129.8740 56.1815 29.4105 175.8084 13 F 4.4614 7.5404 114.1228 57.7540 37.5207 172.8288 14 K 4.2802 6.4236 118.7266 54.2355 32.9393 173.7328 15 K 4.4489 7.4754 122.6619 54.1673 33.4299 176.6201 16 T 4.0555 8.1343 114.6123 60.9710 69.2704 175.7729 17 G 3.5184 8.7060 111.7877 48.4949 0.0000 174.6689 18 K 4.0736 7.7083 120.3955 58.5101 32.5755 176.5157 19 G 3.8624 9.2293 110.9168 45.7967 0.0000 174.6038 20 G 3.7743 8.3192 110.2586 45.5049 0.0000 172.9167 21 F 5.0622 9.3756 123.8335 57.1794 39.5570 175.6179 22 K 4.7165 8.1272 122.7080 58.0520 34.8595 174.2300 23 H 3.9793 7.5974 113.4676 56.2144 31.4995 172.5106 24 K 4.4660 8.1038 120.4316 55.3218 32.8495 175.3477 25 H 4.1463 9.0479 124.4073 59.2384 29.1007 176.5651 26 A 3.6253 7.8533 119.0884 53.1889 15.9610 176.9473 27 N 4.4150 7.8408 121.0460 56.1750 39.7413 174.7372 28 L 4.5775 7.6923 119.1591 53.1471 42.5104 174.8031 29 R 4.3349 7.7492 122.8945 58.1159 32.3711 175.6045 30 H 4.5538 7.9194 113.9864 56.3600 28.9244 174.7162 31 I 4.2475 7.8062 112.2145 61.2024 41.0372 176.1864 32 L 3.3008 9.0976 120.7502 57.4218 43.2896 175.5799 33 T 3.4652 6.9703 112.2941 59.6921 68.3507 172.4564 34 K 4.6121 8.5311 124.3139 56.0324 34.4166 177.0103 35 K 4.5257 7.9619 114.2614 56.4538 34.7472 177.2354 36 A 4.4471 8.1828 125.9310 51.3448 17.3093 178.0918 37 T 3.8609 7.4855 116.1451 64.0408 69.2247 176.3145 38 K 3.8132 8.0029 122.5269 58.8216 31.8996 178.5197 39 R 3.8230 7.2635 116.4995 59.5846 29.8479 178.8189 40 K 4.0145 7.8809 117.3984 59.3131 32.1226 178.3568 41 R 4.0616 8.5988 119.8419 59.2756 30.5409 177.3446 42 H 4.8167 7.8235 115.0611 56.1999 27.8678 175.4899 43 L 4.8670 8.8525 115.2923 54.3401 42.4210 179.4954 44 R 4.2744 7.9646 119.4675 54.3218 29.2813 171.8265 45 P 3.8032 0.0000 0.0000 57.2060 31.4407 174.8817 46 K 4.8075 7.7773 124.7876 55.0916 35.7879 173.3702 47 A 5.4555 8.7312 122.4207 52.2714 21.8325 175.8741 48 M 4.6960 10.1475 117.2114 56.5366 32.5270 176.6523 49 V 4.5667 7.8957 128.1279 61.5875 32.0565 170.4414 50 S 4.6036 7.8954 114.1805 58.3711 62.7646 174.8499 51 K 4.1931 7.9483 122.7365 58.6332 33.1061 178.0979 52 G 3.7468 8.4293 108.0660 48.0963 0.0000 174.0508 53 D 3.8162 8.1035 113.5091 58.5664 40.8982 178.8414 54 L 3.8636 8.8114 122.3538 58.4735 42.5223 179.7623 55 G 3.5226 7.8701 104.0279 46.6730 0.0000 172.8658 56 L 4.1330 8.7973 122.1853 56.2209 43.8138 178.4847 57 V 3.8788 7.1468 115.1481 62.6651 31.7504 176.7007 58 I 3.9572 7.5324 112.8673 62.2985 38.6032 176.1937 59 A 4.6947 7.7814 122.9657 51.0261 20.2441 174.9872 60 C 3.8248 8.2403 120.4317 61.0679 31.9845 173.5043 61 L 3.6256 7.6357 115.3902 52.6359 41.6936 175.4114 62 P 4.5923 0.0000 0.0000 63.4843 32.6722 176.3915 63 Y 4.5550 8.2415 118.8899 57.6342 37.8733 175.9175 64 A 4.1819 8.6596 128.2232 53.8992 19.0537 175.9943 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 P 0.00 4.33 0.00 2.05 2.05 0.00 3.62 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 1.92 2.07 0.00 2 K 8.20 4.16 0.00 1.72 1.66 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.46 7.81 3 I 8.03 3.90 1.87 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 1.47 0.64 0.91 0.00 0.00 4 K 8.14 4.29 0.00 1.84 1.81 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.35 7.81 5 T 7.90 3.82 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 1.29 0.00 0.00 6 V 8.41 3.72 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 0.70 0.00 0.00 0.95 0.00 0.00 7 R 7.99 4.19 0.00 1.81 2.00 0.00 3.48 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 8 G 8.74 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 9 A 8.13 4.63 1.73 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 4.23 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 11 K 8.12 4.39 0.00 1.70 1.68 0.00 1.94 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.30 7.81 12 R 9.33 3.17 0.00 0.67 0.66 0.00 2.97 0.00 0.00 2.79 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 0.00 13 F 7.54 4.46 0.00 2.94 3.35 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 14 K 6.42 4.28 0.00 1.66 1.65 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.13 1.03 7.81 15 K 7.48 4.45 0.00 1.66 1.70 0.00 2.01 0.00 0.00 1.84 0.00 0.00 3.65 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.38 1.00 7.81 16 T 8.13 4.06 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 1.29 0.00 0.00 17 G 8.71 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.07 0.00 1.72 1.87 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 19 G 9.23 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 0.00 0.00 0.00 20 G 8.32 3.77 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 0.00 0.00 0.00 21 F 9.38 5.06 0.00 2.92 3.18 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 22 K 8.13 4.72 0.00 2.01 1.97 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 23 H 7.60 3.98 0.00 3.00 3.47 0.00 5.40 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.10 4.47 0.00 1.60 1.67 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.30 7.81 25 H 9.05 4.15 0.00 3.24 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.85 3.63 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 27 N 7.84 4.41 0.00 2.73 2.84 0.00 0.00 6.92 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 28 L 7.69 4.58 0.00 1.65 1.58 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.75 4.33 0.00 1.60 1.22 0.00 3.22 0.00 0.00 3.24 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 30 H 7.92 4.55 0.00 3.16 3.34 0.00 5.98 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.81 4.25 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 1.21 0.31 0.94 0.00 0.00 32 L 9.10 3.30 0.00 1.71 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 T 6.97 3.47 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 1.26 0.00 0.00 34 K 8.53 4.61 0.00 1.73 1.78 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.32 7.81 35 K 7.96 4.53 0.00 1.76 1.80 0.00 1.44 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 36 A 8.18 4.45 1.27 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 0.00 0.00 37 T 7.49 3.86 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 38 K 8.00 3.81 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.60 7.81 39 R 7.26 3.82 0.00 2.06 1.97 0.00 3.30 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 K 7.88 4.01 0.00 2.02 1.88 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.44 7.81 41 R 8.60 4.06 0.00 2.00 2.08 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 42 H 7.82 4.82 0.00 3.13 3.25 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.85 4.87 0.00 1.53 1.62 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.96 4.27 0.00 1.73 1.82 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 1.48 1.59 0.00 45 P 0.00 3.80 0.00 1.90 2.00 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 46 K 7.78 4.81 0.00 1.83 1.70 0.00 1.24 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.27 7.81 47 A 8.73 5.46 1.22 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 0.00 0.00 48 M 10.15 4.70 0.00 1.99 1.59 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 49 V 7.90 4.57 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 0.94 0.00 0.00 50 S 7.90 4.60 0.00 3.98 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 51 K 7.95 4.19 0.00 1.83 1.80 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.45 7.81 52 G 8.43 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 0.00 0.00 0.00 53 D 8.10 3.82 0.00 2.84 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 3.86 0.00 1.63 1.67 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.87 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.13 0.00 1.27 1.70 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.15 3.88 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 0.76 0.00 0.00 0.90 0.00 0.00 58 I 7.53 3.96 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.40 0.90 0.00 0.00 59 A 7.78 4.69 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.24 3.82 0.00 2.96 2.79 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 61 L 7.64 3.63 0.00 1.57 1.44 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.59 0.00 2.06 2.08 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 63 Y 8.24 4.56 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.66 4.18 1.22 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 0.00 0.00