NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3474 8.2649 123.5839 51.9384 19.8728 177.0951 2 V 3.7218 8.3866 114.4952 62.9060 32.0184 175.8654 3 C 5.1613 7.6765 116.1019 53.9602 41.2355 171.5962 4 P 4.6062 0.0000 0.0000 62.5822 31.8346 175.9945 5 T 4.3958 8.1632 111.0569 62.5006 70.6340 173.4286 6 G 4.1404 8.4122 108.4702 44.3908 0.0000 175.2458 7 L 3.8145 9.0854 125.3073 57.4988 42.3424 177.9616 8 F 5.0503 7.8023 116.0427 56.7953 38.4724 176.0532 9 S 5.2256 7.7692 111.5587 57.6645 64.0198 173.5125 10 N 4.9989 8.0977 120.6359 51.0926 40.3099 172.2054 11 P 5.1073 0.0000 0.0000 62.5127 32.2762 175.6940 12 L 5.1005 9.8609 124.2006 53.0615 46.5613 174.8334 13 C 5.2853 9.6429 120.1911 56.0387 37.5769 172.3388 14 C 5.6709 9.4739 121.0041 53.7333 43.7437 175.1991 15 A 3.9651 8.4298 123.4661 55.3155 18.4819 177.6820 16 T 4.2476 7.5770 107.1803 61.4440 71.2680 171.8947 17 N 5.3243 8.3856 124.5466 51.0565 39.8815 172.7237 18 V 3.6417 8.3549 124.5113 63.9979 32.0499 176.1723 19 L 3.7472 9.3176 124.7280 55.3130 39.1731 173.9442 20 D 4.5433 8.3001 115.5298 55.1864 38.8348 174.5779 21 L 4.9506 8.1402 117.2818 53.8225 47.2533 175.5506 22 I 4.8413 7.4457 116.8391 58.8870 39.2186 175.0527 23 G 3.9721 8.7141 115.3352 46.1593 0.0000 171.4051 24 V 4.4484 8.5844 124.4189 61.2092 34.3286 174.9083 25 D 4.7926 8.4093 123.5812 55.5484 38.4677 174.3103 26 C 4.9036 7.8772 114.3584 56.8617 40.0322 174.9904 27 K 4.8169 9.4984 122.0502 54.6451 36.1832 175.7369 28 T 4.3349 8.5937 118.8987 61.1588 68.0606 172.4075 29 P 4.5068 0.0000 0.0000 63.5031 31.8582 176.2945 30 T 4.4599 8.7843 110.6278 61.4110 69.3411 173.8649 31 I 4.6026 6.9697 114.0127 58.7433 40.8985 174.4412 32 A 4.0362 8.3756 123.9372 52.2027 18.6183 178.2431 33 V 4.2051 7.9842 116.2705 59.8200 31.5774 175.1854 34 D 4.7262 8.3396 122.4572 54.4905 41.9393 177.3108 35 T 4.8884 7.4182 109.5290 58.8043 73.2242 174.7023 36 G 3.7576 8.7701 108.8770 48.0588 0.0000 175.8947 37 A 4.0258 7.9922 122.5950 55.0392 18.4352 179.6499 38 I 3.6969 7.8154 118.3598 64.3291 37.1799 178.2144 39 F 4.4392 8.4514 121.5779 61.7522 39.2321 177.0005 40 Q 3.8683 8.4914 118.9310 59.0813 28.8330 178.1155 41 A 4.0087 8.4229 122.1857 55.2621 18.2032 179.0766 42 H 4.1342 8.4146 116.0596 59.7674 30.3274 176.5931 43 C 4.4363 8.4455 118.0908 59.9494 36.8392 175.8444 44 A 4.1498 8.2426 122.6812 55.1860 17.7415 179.5612 45 S 4.4370 7.9195 111.2081 60.2582 63.1173 175.1945 46 K 4.3508 8.3110 122.0472 55.7060 32.2135 177.1294 47 G 3.8840 8.5059 106.1333 46.3092 0.0000 173.6875 48 S 4.9539 7.3766 115.0996 56.4832 65.9418 173.2381 49 K 4.8006 8.8876 119.1524 54.0124 36.1688 174.3629 50 P 4.4555 0.0000 0.0000 62.3103 32.2589 174.9422 51 L 5.1471 9.3797 124.7255 52.8742 45.9738 174.8976 52 C 5.4126 9.6553 120.2866 55.8477 38.4390 172.4821 53 C 5.7864 9.6627 121.6112 54.8659 43.6733 175.6593 54 V 4.2685 8.8129 112.9802 63.2821 31.2190 176.9520 55 A 4.7009 7.7676 122.5750 49.5760 21.9385 174.6359 56 P 4.2892 0.0000 0.0000 63.6084 31.9231 176.2860 57 V 4.2039 7.1800 119.0960 60.9217 33.3766 174.3691 58 A 4.3969 8.6333 130.5120 51.6816 18.8487 176.2037 59 D 4.7323 8.8853 121.2971 54.1998 41.8104 176.7608 60 Q 3.9977 7.8204 115.2510 55.6705 27.8843 174.7569 61 A 3.2063 8.7300 120.1875 55.3077 16.6597 175.9032 62 L 3.6896 8.6101 126.5535 55.7899 41.1123 172.9977 63 L 4.7939 8.2644 128.7920 55.4061 42.8479 176.3261 64 C 5.7547 9.5835 122.8049 55.7085 43.8200 172.7169 65 Q 4.5675 9.0923 118.3050 53.5721 32.8103 175.1796 66 K 4.3075 8.4931 121.3776 56.4820 33.5207 176.5778 67 A 4.1145 8.1828 125.8253 51.8545 18.8862 177.2424 68 I 3.4329 8.5521 122.6124 62.9270 38.3654 175.5028 69 G 3.8284 9.1899 116.3788 46.6709 0.0000 173.3565 70 T 4.5554 7.3374 107.4120 60.4808 71.9136 173.7144 71 F 3.8685 8.8530 122.7561 58.0181 38.8076 174.8293 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 A 8.26 4.35 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.39 3.72 2.36 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 0.82 0.00 0.00 0.69 0.00 0.00 3 C 7.68 5.16 0.00 2.94 3.22 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 4 P 0.00 4.61 0.00 2.29 2.23 0.00 3.94 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.04 0.00 5 T 8.16 4.40 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 G 8.41 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 7 L 9.09 3.81 0.00 1.53 1.38 0.61 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.80 5.05 0.00 3.10 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 9 S 7.77 5.23 0.00 3.98 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 5.00 0.00 2.89 2.79 0.00 0.00 6.75 8.06 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 11 P 0.00 5.11 0.00 1.36 1.66 0.00 3.66 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 1.83 1.78 0.00 12 L 9.86 5.10 0.00 1.62 1.61 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.64 5.29 0.00 3.03 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 14 C 9.47 5.67 0.00 2.75 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 3.97 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 16 T 7.58 4.25 4.20 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 1.18 0.00 0.00 17 N 8.39 5.32 0.00 2.75 2.57 0.00 0.00 6.51 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 18 V 8.35 3.64 2.16 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 0.98 0.00 0.00 0.92 0.00 0.00 19 L 9.32 3.75 0.00 1.81 1.71 0.92 1.10 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 20 D 8.30 4.54 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.95 0.00 1.53 1.65 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.45 4.84 1.87 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 1.18 1.28 0.92 0.00 0.00 23 G 8.71 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 25 D 8.41 4.79 0.00 2.84 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 26 C 7.88 4.90 0.00 2.88 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 27 K 9.50 4.82 0.00 1.63 1.66 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 T 8.59 4.33 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 29 P 0.00 4.51 0.00 2.03 2.02 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.23 0.00 30 T 8.78 4.46 4.29 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 1.25 0.00 0.00 31 I 6.97 4.60 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.88 0.00 0.00 32 A 8.38 4.04 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 33 V 7.98 4.21 1.83 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 0.74 0.00 0.00 0.46 0.00 0.00 34 D 8.34 4.73 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.42 4.89 4.27 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 1.23 0.00 0.00 36 G 8.77 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 37 A 7.99 4.03 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 38 I 7.82 3.70 1.93 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 1.44 0.72 0.95 0.00 0.00 39 F 8.45 4.44 0.00 3.21 3.22 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 40 Q 8.49 3.87 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 41 A 8.42 4.01 1.37 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 42 H 8.41 4.13 0.00 3.24 3.72 0.00 5.96 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 C 8.45 4.44 0.00 3.01 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 44 A 8.24 4.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.44 0.00 4.06 4.02 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 46 K 8.31 4.35 0.00 1.91 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.26 7.81 47 G 8.51 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 0.00 0.00 0.00 48 S 7.38 4.95 0.00 3.99 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 49 K 8.89 4.80 0.00 1.37 1.25 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.91 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.35 1.24 7.81 50 P 0.00 4.46 0.00 0.49 0.78 0.00 3.56 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 1.76 1.69 0.00 51 L 9.38 5.15 0.00 1.56 1.57 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.66 5.41 0.00 2.90 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.66 5.79 0.00 2.85 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 54 V 8.81 4.27 1.95 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 0.52 0.00 0.00 0.91 0.00 0.00 55 A 7.77 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.19 2.35 0.00 3.70 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 1.98 1.94 0.00 57 V 7.18 4.20 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 0.81 0.00 0.00 0.93 0.00 0.00 58 A 8.63 4.40 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 59 D 8.89 4.73 0.00 2.65 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 60 Q 7.82 4.00 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 61 A 8.73 3.21 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 62 L 8.61 3.69 0.00 2.07 1.81 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.26 4.79 0.00 1.86 1.59 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.58 5.75 0.00 3.04 2.94 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 65 Q 9.09 4.57 0.00 1.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 66 K 8.49 4.31 0.00 1.65 1.69 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 67 A 8.18 4.11 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 0.00 0.00 0.00 0.00 0.00 68 I 8.55 3.43 1.89 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 1.36 0.74 0.95 0.00 0.00 69 G 9.19 3.83 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 0.00 0.00 0.00 70 T 7.34 4.56 4.44 0.00 0.00 0.00 0.00 0.00 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 71 F 8.85 3.87 0.00 3.13 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