NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4656 8.3049 118.1835 54.7893 32.7211 174.7657 2 D 4.4113 7.2647 117.0753 54.3040 43.9433 175.1814 3 D 4.3808 7.9136 119.8260 55.0236 41.2143 173.8140 4 Q 4.0934 8.7246 116.5961 56.7489 29.4455 175.5958 5 G 4.2072 7.6918 108.1568 46.3687 0.0000 172.6216 6 C 3.6922 8.1598 123.0039 57.3302 33.0059 172.0850 7 P 4.3597 0.0000 0.0000 64.9412 31.2887 177.3623 8 R 3.8376 7.3141 121.1550 57.5572 31.1622 177.0745 9 C 4.4694 7.6017 112.4701 58.0138 30.2218 173.0883 10 K 4.5429 7.2256 120.6028 58.2847 31.8647 173.8445 11 T 4.2357 8.7895 125.8366 63.4051 74.2247 175.4056 12 T 4.0673 8.2367 111.3037 65.6253 67.5326 176.7565 13 K 4.9288 8.9799 127.1071 62.3584 33.8168 177.1397 14 Y 4.2185 8.0242 119.2537 59.8473 39.1058 176.7354 15 R 4.2737 8.6561 117.6651 58.6935 30.8433 176.7657 16 N 4.5991 9.1290 118.1700 52.5525 38.8110 174.0963 17 P 5.0315 0.0000 0.0000 62.3214 32.6544 176.4695 18 S 4.8297 7.5100 108.0973 58.7486 65.5921 173.8200 19 L 4.5634 7.2646 126.7233 54.6401 41.6855 176.1323 20 K 4.3443 7.9319 116.1194 56.7101 36.5087 173.9310 21 L 5.0509 7.6254 120.8724 53.3687 44.4883 175.3393 22 M 5.6654 9.4991 123.7534 53.2783 34.5312 176.0844 23 V 4.6609 8.4009 123.0186 62.1061 34.2879 173.4819 24 N 5.2277 8.2075 119.9961 50.9664 40.7556 174.7291 25 V 3.2414 9.0287 115.8858 64.9804 31.8794 176.9692 26 C 3.7822 7.9518 119.8349 58.8345 29.7278 172.8685 27 G 3.7210 8.8726 109.7668 45.6597 0.0000 172.0217 28 H 4.8952 8.8174 116.5880 55.9731 30.9757 175.4486 29 T 4.1838 5.7900 112.4471 63.7703 74.0543 174.0190 30 L 4.6347 8.6506 128.3948 53.0132 44.4825 175.0665 31 C 4.3069 8.7557 121.6985 57.7694 29.0829 175.0261 32 E 3.9340 8.8908 116.5263 59.6453 28.9532 179.2609 33 S 4.0883 8.8598 114.8030 59.4544 63.1467 175.9997 34 C 3.9622 7.8935 119.4643 62.4832 27.6371 175.7572 35 V 2.0000 7.4530 119.4599 65.3714 30.2310 177.7966 36 D 4.0258 7.1487 118.6457 56.3494 39.3023 178.3912 37 L 4.1100 7.2331 119.8826 55.8328 41.7577 179.0027 38 L 3.6721 8.2281 121.9088 57.8159 41.8406 178.7457 39 F 4.7592 6.5385 116.9429 60.0745 39.1339 178.4480 40 V 3.7242 7.3456 109.6001 63.5527 31.4289 176.9713 41 R 4.5496 7.1148 116.3123 55.2841 31.0649 175.7710 42 G 3.8022 8.8194 115.5423 46.1281 0.0000 170.7217 43 A 3.8034 9.3748 135.0000 54.7189 17.2674 176.8264 44 G 4.1782 8.9061 113.4045 46.2979 0.0000 173.3949 45 N 4.8639 8.4143 118.4629 51.5524 40.6653 173.8764 46 C 4.0280 8.5331 124.4320 59.0098 32.0673 173.1537 47 P 4.5441 0.0000 0.0000 64.4967 31.5194 176.0307 48 E 4.5318 8.1958 116.2845 58.0805 32.4856 176.6191 49 C 4.4130 8.1524 113.6340 56.5112 29.8668 173.6411 50 G 3.9405 7.7329 105.0141 46.5357 0.0000 174.0924 51 T 3.9707 7.6306 116.5169 63.1315 69.5965 172.7158 52 P 4.8436 0.0000 0.0000 61.8189 29.1653 173.6121 53 L 3.8294 8.2257 125.1347 56.0613 42.3057 177.9860 54 R 3.7687 8.6514 125.1133 58.0511 29.9920 175.8566 55 K 4.9570 7.7292 122.4007 57.3109 35.6725 175.9192 56 S 3.3953 8.7566 125.3724 57.6609 61.7850 172.0540 57 N 3.8356 9.8109 135.0000 53.3645 34.2745 174.0016 58 F 4.9361 7.9314 122.8841 56.6932 42.0111 174.5939 59 R 4.4860 9.3062 123.7195 55.0225 29.9966 176.3945 60 V 4.9881 8.4916 124.0900 60.4183 32.9706 174.9270 61 Q 4.5012 7.9802 118.6165 56.8030 30.4883 172.4598 62 L 4.0748 8.6711 125.1996 55.9262 46.0313 174.6110 63 F 3.9192 8.5955 119.5641 60.4649 39.2659 173.5305 64 E 3.6611 8.2645 129.4319 56.1623 27.0237 173.7075 65 D 4.1300 8.2297 121.9865 54.4444 41.0854 175.1680 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 M 8.30 4.47 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 2 D 7.26 4.41 0.00 2.25 1.63 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 3 D 7.91 4.38 0.00 2.75 2.55 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 4 Q 8.72 4.09 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.39 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 5 G 7.69 4.21 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 0.00 6 C 8.16 3.69 0.00 2.98 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 7 P 0.00 4.36 0.00 2.21 2.09 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 8 R 7.31 3.84 0.00 1.73 1.83 0.00 3.16 0.00 0.00 3.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 9 C 7.60 4.47 0.00 3.10 3.06 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 10 K 7.23 4.54 0.00 1.95 2.06 0.00 1.19 0.00 0.00 2.26 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.40 7.81 11 T 8.79 4.24 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 1.27 0.00 0.00 12 T 8.24 4.07 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 1.25 0.00 0.00 13 K 8.98 4.93 0.00 1.94 1.94 0.00 1.23 0.00 0.00 2.39 0.00 0.00 3.02 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.45 1.44 7.81 14 Y 8.02 4.22 0.00 3.04 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 15 R 8.66 4.27 0.00 2.13 1.99 0.00 3.28 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 16 N 9.13 4.60 0.00 2.75 2.77 0.00 0.00 6.80 7.92 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 17 P 0.00 5.03 0.00 2.18 2.13 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 18 S 7.51 4.83 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.26 4.56 0.00 1.84 1.47 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.93 4.34 0.00 2.02 1.95 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.26 7.81 21 L 7.63 5.05 0.00 1.53 1.63 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 22 M 9.50 5.67 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.37 0.00 23 V 8.40 4.66 2.13 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 1.12 0.00 0.00 1.02 0.00 0.00 24 N 8.21 5.23 0.00 2.78 3.03 0.00 0.00 6.04 7.87 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 25 V 9.03 3.24 1.99 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 0.65 0.00 0.00 0.89 0.00 0.00 26 C 7.95 3.78 0.00 3.07 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 27 G 8.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.90 0.00 3.31 3.38 0.00 5.74 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 29 T 5.79 4.18 4.42 0.00 0.00 0.00 0.00 0.00 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 30 L 8.65 4.63 0.00 1.88 1.72 0.89 0.62 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 31 C 8.76 4.31 0.00 3.04 3.11 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 32 E 8.89 3.93 0.00 2.16 2.54 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 2.27 2.43 0.00 33 S 8.86 4.09 0.00 3.81 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 34 C 7.89 3.96 0.00 3.05 2.73 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 35 V 7.45 2.00 1.92 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 1.14 0.00 0.00 0.85 0.00 0.00 36 D 7.15 4.03 0.00 3.03 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 37 L 7.23 4.11 0.00 1.56 1.64 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.23 3.67 0.00 1.02 0.13 1.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 39 F 6.54 4.76 0.00 2.94 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 40 V 7.35 3.72 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 0.67 0.00 0.00 0.89 0.00 0.00 41 R 7.11 4.55 0.00 1.82 1.91 0.00 3.38 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 1.64 1.62 0.00 42 G 8.82 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 0.00 0.00 0.00 43 A 9.37 3.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 4.18 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 0.00 45 N 8.41 4.86 0.00 2.74 2.79 0.00 0.00 7.07 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 46 C 8.53 4.03 0.00 3.02 2.99 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 0.00 47 P 0.00 4.54 0.00 2.23 2.16 0.00 3.92 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 48 E 8.20 4.53 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.85 0.00 49 C 8.15 4.41 0.00 3.18 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 50 G 7.73 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 T 7.63 3.97 4.30 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 1.23 0.00 0.00 52 P 0.00 4.84 0.00 2.08 2.10 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 53 L 8.23 3.83 0.00 1.60 1.74 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.65 3.77 0.00 1.71 1.94 0.00 3.32 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 55 K 7.73 4.96 0.00 1.72 1.65 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.13 7.81 56 S 8.76 3.40 0.00 3.93 2.95 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 57 N 9.81 3.84 0.00 2.70 2.62 0.00 0.00 5.29 7.23 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 58 F 7.93 4.94 0.00 3.13 3.19 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 59 R 9.31 4.49 0.00 1.89 2.12 0.00 2.75 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 60 V 8.49 4.99 2.17 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 1.01 0.00 0.00 1.02 0.00 0.00 61 Q 7.98 4.50 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 62 L 8.67 4.07 0.00 1.60 1.73 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.60 3.92 0.00 2.98 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 64 E 8.26 3.66 0.00 2.27 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 2.18 2.28 0.00 65 D 8.23 4.13 0.00 2.24 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00