NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3963 8.1927 115.2877 58.3092 64.4791 175.6955 1 L 3.7500 7.7621 121.3751 57.5182 41.8412 175.5666 2 E 3.9148 8.2401 118.4410 59.2304 29.9434 177.9917 3 E 3.9031 8.2571 118.8746 59.3852 29.6214 178.4017 4 E 3.8773 8.3099 119.1417 59.3204 29.7671 178.7482 5 L 3.7398 7.9353 119.0093 57.6721 41.6586 179.6811 6 R 3.9679 8.0656 117.9405 59.3790 30.0857 179.3212 7 R 3.9437 8.0692 117.6663 59.4418 30.1037 179.1082 8 E 4.1394 8.2193 118.3439 59.5810 29.3727 179.5565 9 T 4.2459 8.1944 115.7908 66.9405 68.6565 176.6516 10 L 4.0764 8.1492 120.8312 57.6827 41.6273 179.7139 11 K 3.8552 7.9898 119.0110 59.4486 32.2093 179.0312 12 W 4.6498 8.3202 119.0270 59.2536 29.0292 178.6122 13 L 4.1904 8.6603 121.0952 58.3476 41.7258 178.8123 14 E 4.1032 8.8586 118.9453 59.3685 29.3009 179.6964 15 R 4.1821 8.2295 118.2922 59.4055 30.2724 178.8923 16 I 3.5128 8.3143 118.4413 63.7500 37.6453 177.6399 17 E 4.1162 8.0673 118.9996 59.3273 29.3915 178.8586 18 E 4.1739 7.9442 117.2818 59.2532 29.5994 179.1589 19 R 3.9897 8.1509 119.1101 59.3291 29.7117 178.9068 20 V 3.5513 8.2804 119.3153 64.6208 31.0152 178.2512 21 K 4.1832 7.7690 117.5872 58.1346 32.1937 177.9344 22 E 4.4944 8.3599 118.3911 55.3363 29.9408 175.3189 23 I 5.0722 6.7871 111.0882 58.8515 40.6482 174.3069 24 E 4.8510 9.9038 118.8833 54.1468 33.5706 175.4652 25 G 4.2953 8.3612 106.7753 45.1226 0.0000 173.1844 26 D 4.3852 8.6047 125.1127 54.8334 41.6369 177.6553 27 E 4.1076 9.0423 126.3625 59.1354 29.4140 179.6225 28 G 3.4885 8.2165 105.5868 47.7276 0.0000 175.3717 29 F 3.8961 8.6673 120.8778 60.7193 39.1669 177.8354 30 M 4.1401 8.4874 118.2012 58.4612 31.6316 179.1746 31 R 3.8663 8.2188 118.7221 59.0382 30.2252 178.6173 32 N 3.8402 8.0875 116.6988 56.3461 38.4119 176.9627 33 I 3.7435 7.6669 120.8789 64.9316 37.2587 178.0278 34 E 4.0300 8.1725 119.0734 59.0352 29.3518 178.8995 35 A 3.8038 7.9725 121.0706 55.4665 18.1079 179.3046 36 Y 4.1267 8.4588 115.5245 60.8130 37.8802 178.1314 37 I 3.8301 8.4252 121.4237 64.6215 37.2061 177.9221 38 S 4.0830 8.6370 113.8211 61.6801 62.0929 176.0099 39 D 4.2206 8.2633 121.3042 57.4129 40.6433 178.5201 40 S 4.3659 9.3759 114.3704 61.7327 62.3347 176.2132 41 R 3.9769 8.2720 120.6852 59.6148 29.8345 178.3583 42 Y 4.0568 8.1968 119.0008 60.9129 38.8330 178.0359 43 F 4.1922 8.1262 119.0517 60.2603 38.9801 177.4132 44 L 4.0110 8.7045 120.4009 58.2320 41.7159 178.6569 45 E 3.9646 8.1113 118.1463 58.8503 29.6902 178.0113 46 K 4.3118 7.4758 115.2803 56.6123 32.9758 177.1992 47 G 3.8194 7.7702 107.7462 47.0516 0.0000 174.9286 48 D 4.6641 8.3012 121.8680 52.4264 39.4827 176.2769 49 L 4.1141 7.9979 124.8655 57.1582 42.0512 178.7726 50 V 3.6544 7.7083 117.6754 66.2698 31.5695 178.2616 51 R 3.9991 7.8904 116.8874 58.8012 29.5946 178.8750 52 A 4.2661 8.6073 121.2225 55.3069 18.4644 179.4793 53 F 4.3619 9.0862 119.5428 61.4264 39.5207 176.6804 54 E 3.8805 8.8576 119.4268 59.8349 29.3376 178.7858 55 C 4.5021 8.7429 117.2030 62.7505 28.1982 176.3967 56 V 3.6621 7.7945 120.9641 64.7713 30.8123 178.7988 57 V 3.2880 7.5434 118.7490 65.4212 31.4046 177.9069 58 W 3.7487 7.9413 118.4342 59.6010 28.7651 178.1191 59 A 4.1976 8.7326 121.0502 55.3592 17.7453 179.7639 60 W 4.1710 8.6570 117.4274 59.7872 28.9623 178.7256 61 A 3.8591 8.3156 120.9950 54.8930 17.8121 179.7115 62 W 4.0130 8.3509 117.5398 59.7171 29.0523 178.4531 63 L 4.0890 8.2498 120.2652 58.3484 41.6104 178.8394 64 E 4.0696 9.2196 119.1858 59.7020 29.4897 179.6307 65 I 3.8817 8.3083 120.2959 63.9400 37.0641 178.5585 66 G 3.5455 8.4591 106.7850 47.8601 0.0000 175.5733 67 L 4.1932 8.0387 123.2479 56.8121 41.4534 179.2262 68 E 3.9553 8.1011 117.8375 59.1279 29.6848 178.4216 69 V 4.1121 7.7304 109.0181 60.1242 32.0455 176.0478 70 G 3.9212 7.5523 106.1899 46.6621 0.0000 175.1917 71 K 4.1022 7.8406 120.0225 57.1723 32.9727 177.1901 72 L 5.1463 7.3683 118.8010 53.1956 46.3122 175.1567 73 H 5.0112 9.0471 117.4087 54.0588 33.5673 172.7621 74 E 4.5476 8.8193 121.2238 56.2033 30.2872 177.2180 75 T 4.0393 8.6893 120.1579 64.0489 68.4368 174.1538 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 0 S 8.19 4.40 0.00 3.86 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 1 L 7.76 3.75 0.00 1.85 1.62 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.24 3.91 0.00 2.04 1.97 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 2.39 2.35 0.00 3 E 8.26 3.90 0.00 2.02 2.02 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 2.37 2.37 0.00 4 E 8.31 3.88 0.00 2.12 1.86 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 2.22 2.31 0.00 5 L 7.94 3.74 0.00 1.67 1.63 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.07 3.97 0.00 2.09 2.00 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 7 R 8.07 3.94 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 8 E 8.22 4.14 0.00 1.99 2.34 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 2.45 2.49 0.00 9 T 8.19 4.25 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 1.44 0.00 0.00 10 L 8.15 4.08 0.00 1.86 1.77 0.99 0.71 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 11 K 7.99 3.86 0.00 1.86 1.80 0.00 0.69 0.00 0.00 0.91 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.80 1.16 7.81 12 W 8.32 4.65 0.00 3.80 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 13 L 8.66 4.19 0.00 2.14 2.05 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.86 4.10 0.00 2.05 2.03 0.00 0.00 0.00 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 2.64 0.00 15 R 8.23 4.18 0.00 2.49 2.45 0.00 2.47 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 16 I 8.31 3.51 1.56 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.97 0.00 0.00 17 E 8.07 4.12 0.00 2.12 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 2.37 2.48 0.00 18 E 7.94 4.17 0.00 2.28 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 2.51 2.50 0.00 19 R 8.15 3.99 0.00 2.25 1.87 0.00 3.47 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 20 V 8.28 3.55 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 0.86 0.00 0.00 0.89 0.00 0.00 21 K 7.77 4.18 0.00 1.93 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 E 8.36 4.49 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 23 I 6.79 5.07 1.89 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 1.51 0.75 0.99 0.00 0.00 24 E 9.90 4.85 0.00 2.07 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 2.21 2.28 0.00 25 G 8.36 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 0.00 0.00 0.00 0.00 26 D 8.60 4.39 0.00 2.73 2.63 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 27 E 9.04 4.11 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 28 G 8.22 3.49 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 0.00 0.00 0.00 29 F 8.67 3.90 0.00 3.32 3.30 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 30 M 8.49 4.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.90 0.00 31 R 8.22 3.87 0.00 1.75 1.84 0.00 3.24 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 32 N 8.09 3.84 0.00 1.95 1.65 0.00 0.00 7.01 6.87 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 33 I 7.67 3.74 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 0.86 0.00 0.00 34 E 8.17 4.03 0.00 2.08 1.89 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 2.27 2.32 0.00 35 A 7.97 3.80 1.09 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 0.00 0.00 0.00 0.00 0.00 36 Y 8.46 4.13 0.00 3.04 3.29 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 37 I 8.43 3.83 1.99 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 1.40 0.67 0.94 0.00 0.00 38 S 8.64 4.08 0.00 4.00 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 39 D 8.26 4.22 0.00 3.15 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 40 S 9.38 4.37 0.00 4.02 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 0.00 41 R 8.27 3.98 0.00 2.19 2.04 0.00 3.22 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 42 Y 8.20 4.06 0.00 2.82 2.75 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 43 F 8.13 4.19 0.00 3.16 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 44 L 8.70 4.01 0.00 1.91 1.90 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.11 3.96 0.00 2.09 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 0.00 2.32 2.36 0.00 46 K 7.48 4.31 0.00 1.83 1.64 0.00 0.62 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.37 7.81 47 G 7.77 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 0.00 0.00 0.00 48 D 8.30 4.66 0.00 2.74 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 49 L 8.00 4.11 0.00 1.75 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.71 3.65 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 1.09 0.00 0.00 0.95 0.00 0.00 51 R 7.89 4.00 0.00 1.21 1.22 0.00 3.16 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 52 A 8.61 4.27 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.09 4.36 0.00 3.16 3.28 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 54 E 8.86 3.88 0.00 2.31 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 2.61 2.53 0.00 55 C 8.74 4.50 0.00 3.29 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.66 2.28 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 1.09 0.00 0.00 1.24 0.00 0.00 57 V 7.54 3.29 1.79 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 0.64 0.00 0.00 0.04 0.00 0.00 58 W 7.94 3.75 0.00 2.80 1.82 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 59 A 8.73 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.66 4.17 0.00 3.42 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 61 A 8.32 3.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.35 4.01 0.00 3.68 3.40 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 63 L 8.25 4.09 0.00 1.82 1.87 0.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.22 4.07 0.00 2.10 2.02 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 2.80 2.56 0.00 65 I 8.31 3.88 1.93 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.90 0.00 0.00 66 G 8.46 3.55 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 0.00 0.00 0.00 67 L 8.04 4.19 0.00 1.93 1.75 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.10 3.96 0.00 2.05 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 0.00 2.31 2.39 0.00 69 V 7.73 4.11 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 0.80 0.00 0.00 0.96 0.00 0.00 70 G 7.55 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 0.00 0.00 0.00 71 K 7.84 4.10 0.00 0.79 1.05 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.02 7.81 72 L 7.37 5.15 0.00 1.52 1.44 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 73 H 9.05 5.01 0.00 3.01 3.12 0.00 5.61 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 74 E 8.82 4.55 0.00 1.89 1.91 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 2.36 2.39 0.00 75 T 8.69 4.04 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 1.22 0.00 0.00