NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3532 8.3044 120.3489 54.0286 33.2428 175.9921 2 K 3.9902 7.4394 116.2121 55.4417 35.1968 172.4777 3 K 4.3942 9.4185 127.4945 55.3685 34.2101 176.5506 4 R 4.3707 8.2253 121.9405 55.7493 31.3052 175.7220 5 L 4.3415 7.9504 118.7140 54.6460 44.9172 174.0456 6 T 4.5291 8.5126 123.0296 61.8128 70.0048 173.8478 7 I 4.6606 8.1478 118.6060 58.9630 40.7808 174.4068 8 T 4.6356 8.2589 110.1665 59.7542 70.7301 173.4108 9 L 4.8512 8.1131 123.7360 51.7994 45.8751 176.9946 10 S 4.1449 8.5483 116.7851 59.1162 64.1528 175.4968 11 E 4.0807 8.9191 126.2793 59.5037 29.2576 179.0484 12 S 4.0571 8.0228 112.7762 61.3660 62.5331 176.1849 13 V 3.6436 7.5665 120.5090 65.5274 31.3392 177.6418 14 L 3.9393 8.4448 120.6506 58.2122 41.9913 178.7344 15 E 3.9589 8.3424 118.6458 59.5653 29.3051 178.9862 16 N 4.3452 8.0483 116.7377 56.3256 38.9861 176.7665 17 L 3.9063 8.0225 121.9172 58.0167 42.1817 178.3369 18 E 3.8815 8.2372 119.3062 59.2857 29.4953 178.7245 19 K 3.9020 8.0488 119.3428 59.8231 32.3948 178.6546 20 M 4.0253 8.3679 118.9558 58.2598 31.9779 178.4743 21 A 3.9944 8.5223 121.1624 55.3908 18.6433 179.8911 22 R 3.8757 8.1426 116.4837 59.5630 29.9437 179.1906 23 E 4.0266 8.2089 117.1075 59.1216 29.5066 178.4250 24 M 4.3986 7.7977 116.1699 54.4893 32.5593 176.5531 25 G 3.8631 8.2686 107.2163 45.9199 0.0000 172.9484 26 L 4.7491 7.6384 118.5953 52.5384 43.9052 176.1206 27 S 4.4251 8.2759 113.4556 57.8896 65.0146 175.1383 28 K 3.9482 8.4967 121.8921 59.5891 31.6958 179.7028 29 S 4.0874 8.1058 114.8193 61.6942 62.7758 176.4927 30 A 3.9922 8.1066 123.2984 55.2536 18.0914 179.3299 31 M 3.9718 8.3722 117.0476 58.8354 32.2555 178.4799 32 I 3.6854 7.9928 120.1572 64.3532 37.2670 178.1627 33 S 4.0697 8.3708 114.3059 61.5109 62.1486 176.3891 34 V 3.5753 8.1736 120.9017 66.0903 31.2856 177.8801 35 A 4.0329 8.1791 120.4529 55.0635 18.2029 179.6425 36 L 3.9793 8.3584 118.0588 57.8779 41.6208 179.2778 37 E 3.9679 8.3889 119.3678 59.3283 29.3500 178.3545 38 N 4.3308 8.2137 116.2486 56.8559 39.0397 175.9081 39 Y 4.0551 7.7944 120.2342 60.1992 38.9672 176.9292 40 K 4.0864 8.0576 119.9295 58.7065 32.7303 179.2948 41 K 4.2357 8.3703 113.1955 55.1216 32.4527 177.1223 42 G 4.1691 8.7598 118.4908 46.9214 0.0000 172.9678 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 4.35 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 7.44 3.99 0.00 1.78 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.52 7.81 3 K 9.42 4.39 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 4 R 8.23 4.37 0.00 1.79 1.85 0.00 3.24 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 5 L 7.95 4.34 0.00 1.53 1.48 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.51 4.53 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 7 I 8.15 4.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.90 0.00 0.00 8 T 8.26 4.64 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 9 L 8.11 4.85 0.00 1.58 1.54 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.55 4.14 0.00 3.85 3.87 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 0.00 0.00 0.00 0.00 11 E 8.92 4.08 0.00 2.07 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 0.00 2.38 2.50 0.00 12 S 8.02 4.06 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 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 0.96 0.00 0.00 0.92 0.00 0.00 14 L 8.44 3.94 0.00 1.73 1.78 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.34 3.96 0.00 2.09 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 0.00 2.33 2.46 0.00 16 N 8.05 4.35 0.00 2.81 2.95 0.00 0.00 6.86 7.98 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 17 L 8.02 3.91 0.00 1.80 1.89 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.24 3.88 0.00 2.12 2.12 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 2.31 2.37 0.00 19 K 8.05 3.90 0.00 1.88 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.49 7.81 20 M 8.37 4.03 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 21 A 8.52 3.99 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 0.00 0.00 22 R 8.14 3.88 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 23 E 8.21 4.03 0.00 2.08 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 2.35 2.47 0.00 24 M 7.80 4.40 0.00 2.02 2.10 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 2.58 2.84 0.00 25 G 8.27 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 26 L 7.64 4.75 0.00 1.72 1.62 0.95 0.82 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 27 S 8.28 4.43 0.00 4.07 4.03 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 0.00 0.00 0.00 28 K 8.50 3.95 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 29 S 8.11 4.09 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 30 A 8.11 3.99 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 31 M 8.37 3.97 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 32 I 7.99 3.69 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.90 0.00 0.00 33 S 8.37 4.07 0.00 3.86 4.03 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 0.00 0.00 0.00 34 V 8.17 3.58 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 1.04 0.00 0.00 1.01 0.00 0.00 35 A 8.18 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 3.98 0.00 1.85 1.75 0.91 0.61 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 37 E 8.39 3.97 0.00 2.22 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 2.32 2.38 0.00 38 N 8.21 4.33 0.00 2.83 3.06 0.00 0.00 7.22 7.16 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 39 Y 7.79 4.06 0.00 3.14 3.10 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 40 K 8.06 4.09 0.00 1.87 2.15 0.00 1.90 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 41 K 8.37 4.24 0.00 1.93 0.98 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.74 7.81 42 G 8.76 4.17 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 0.00 0.00 0.00