NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3773 8.1627 120.3502 55.6703 33.9434 177.1072 2 K 3.5302 8.6258 115.1776 57.7898 32.0330 176.1158 3 R 3.4441 8.1944 116.0862 58.1860 28.2923 173.4260 4 T 4.4098 7.6583 125.7013 64.6518 76.4400 175.7530 5 F 4.2337 8.4007 123.8083 60.3826 39.7930 175.7040 6 Q 4.1940 7.4640 119.4328 55.6855 29.0833 174.4343 7 P 4.5518 0.0000 0.0000 62.5338 32.6395 175.2564 8 S 4.5694 8.0210 112.6195 57.7648 64.7788 174.6460 9 V 4.1025 8.2279 123.7808 63.1107 32.3333 178.0755 10 L 4.1792 7.7655 119.1658 57.4901 40.8623 178.0806 11 K 4.1532 7.9831 117.7269 58.7218 32.5516 178.3269 12 R 4.0742 7.8347 118.1437 59.2636 30.2530 178.1881 13 N 4.1778 8.3752 114.7195 56.8087 38.7036 175.4584 14 R 4.2930 7.8159 112.8333 56.6164 29.9850 176.2933 15 S 4.3299 7.6515 111.8109 59.1591 66.0195 173.5861 16 H 4.2895 7.7500 117.0555 55.5012 29.0639 176.0768 17 G 3.6098 7.7309 107.5192 44.8377 0.0000 174.0043 18 F 4.0241 8.6345 126.3437 60.6744 39.5210 177.8873 19 R 4.1249 8.1668 116.3566 58.9111 29.9580 178.6681 20 A 4.0312 8.0492 120.4033 55.2600 17.8960 179.3908 21 R 4.0214 8.3939 115.7570 58.4939 29.8712 178.3344 22 M 4.2518 7.6724 117.0378 56.6611 32.4697 177.9661 23 A 4.1571 7.7459 120.4203 54.0682 19.6048 178.1245 24 T 3.9826 7.5302 108.2050 61.3360 69.6246 175.5765 25 K 3.9816 8.9131 125.3703 59.8209 32.0579 178.8763 26 N 4.2336 8.0320 115.5050 56.3428 38.8647 176.8491 27 G 3.6809 8.1647 107.8525 47.3333 0.0000 175.1996 28 R 3.8836 7.6509 121.7664 59.3984 30.0256 178.1441 29 Q 4.0090 7.6754 115.9190 59.0447 28.7212 179.4049 30 V 3.5688 7.8343 118.9804 65.9455 31.6473 177.6166 31 L 3.9384 8.0675 118.0433 58.0958 41.4571 179.2135 32 A 3.9617 7.8826 119.6837 55.3622 18.3729 179.1396 33 R 3.8037 8.0086 116.9778 60.0846 29.8958 178.6344 34 R 4.0695 8.3672 118.0190 58.9241 30.1534 177.1421 35 R 4.6235 7.9258 109.8113 56.1928 33.5526 176.1537 36 A 4.2095 8.1299 121.3312 54.7099 19.2639 178.4070 37 K 4.1084 8.1951 115.6737 58.9680 32.8296 177.7785 38 G 3.8526 8.0601 108.6050 45.4917 0.0000 175.4808 39 R 3.7950 8.0801 116.0418 56.4848 30.1956 174.4037 40 A 4.9162 7.4163 119.0043 50.8593 21.6519 175.0609 41 R 4.8115 8.1794 114.4000 54.9789 34.5454 174.6027 42 L 4.4902 8.2765 116.1255 56.7222 43.7636 178.7767 43 T 3.3880 7.9760 102.3697 62.6302 68.7550 172.3351 44 V 3.9223 7.3538 121.8500 62.0029 31.0178 176.8457 45 S 4.1003 7.6110 114.0131 59.3287 63.6630 174.8083 46 K 4.0486 7.9051 126.8408 56.7017 31.8548 176.1214 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 8.16 4.38 0.00 2.07 2.12 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 2.57 2.54 0.00 2 K 8.63 3.53 0.00 1.84 1.82 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 3 R 8.19 3.44 0.00 1.92 2.18 0.00 3.35 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 4 T 7.66 4.41 4.37 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 1.27 0.00 0.00 5 F 8.40 4.23 0.00 2.91 3.08 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 0.00 0.00 0.00 0.00 6 Q 7.46 4.19 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 7 P 0.00 4.55 0.00 2.15 2.00 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 8 S 8.02 4.57 0.00 3.79 3.69 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 9 V 8.23 4.10 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 0.81 0.00 0.00 0.96 0.00 0.00 10 L 7.77 4.18 0.00 1.78 1.84 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.98 4.15 0.00 1.76 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.40 7.81 12 R 7.83 4.07 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 13 N 8.38 4.18 0.00 2.66 2.86 0.00 0.00 6.96 7.65 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 14 R 7.82 4.29 0.00 1.81 1.92 0.00 3.21 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 15 S 7.65 4.33 0.00 3.63 3.47 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 16 H 7.75 4.29 0.00 3.05 3.09 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.73 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.02 0.00 3.09 3.20 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 0.00 19 R 8.17 4.12 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 20 A 8.05 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.39 4.02 0.00 2.03 1.96 0.00 2.75 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 22 M 7.67 4.25 0.00 2.04 2.27 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 2.64 2.57 0.00 23 A 7.75 4.16 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 24 T 7.53 3.98 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 1.19 0.00 0.00 25 K 8.91 3.98 0.00 1.84 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.52 7.81 26 N 8.03 4.23 0.00 2.72 2.84 0.00 0.00 6.86 7.65 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 27 G 8.16 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 3.88 0.00 1.95 2.21 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 29 Q 7.68 4.01 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 30 V 7.83 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 31 L 8.07 3.94 0.00 1.91 1.76 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.88 3.96 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 33 R 8.01 3.80 0.00 1.99 2.15 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 34 R 8.37 4.07 0.00 1.88 2.21 0.00 3.38 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 35 R 7.93 4.62 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 36 A 8.13 4.21 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 37 K 8.20 4.11 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.43 7.81 38 G 8.06 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.08 3.79 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 40 A 7.42 4.92 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 41 R 8.18 4.81 0.00 1.75 1.78 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 42 L 8.28 4.49 0.00 1.65 1.66 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.98 3.39 4.19 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 1.18 0.00 0.00 44 V 7.35 3.92 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 0.79 0.00 0.00 0.94 0.00 0.00 45 S 7.61 4.10 0.00 3.72 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 46 K 7.91 4.05 0.00 1.66 1.68 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.49 7.81