NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4087 8.2493 122.4633 50.7718 20.2166 175.9351 2 P 4.4658 0.0000 0.0000 61.2469 32.6250 173.1454 3 W 5.5233 8.7080 117.7446 55.1349 32.5140 174.7326 4 A 4.5636 9.7729 121.8744 51.1698 22.8304 175.1422 5 T 4.9107 9.0230 115.6896 61.6034 72.1120 173.9138 6 A 4.3384 9.2567 127.7036 51.8933 19.5335 177.8368 7 E 4.4055 8.6157 118.9851 56.3219 31.3358 175.9057 8 Y 4.8170 7.6851 115.7490 56.2594 42.2710 175.3675 9 D 4.9313 9.0905 123.1708 55.1052 39.7386 173.3293 10 Y 4.4648 9.5334 126.0058 56.0404 39.9876 174.6569 11 D 4.3424 7.6481 125.7949 57.4895 40.8914 178.6121 12 A 3.2576 5.8000 115.4253 53.4744 15.3974 176.5098 13 A 4.1016 8.4626 127.3753 55.0019 18.7524 178.3022 14 E 4.3955 9.0281 112.8175 56.0992 30.3237 176.1357 15 D 5.1017 8.0884 125.9754 53.9547 38.8588 175.5474 16 N 4.6583 7.4028 118.4397 52.8469 37.8509 173.0949 17 E 4.9577 7.5057 118.2475 54.6824 33.3209 175.5645 18 L 4.8445 9.4892 124.1015 54.5190 43.9855 175.6146 19 T 4.2344 8.2134 110.8980 59.7156 71.4114 173.0355 20 F 5.0974 7.8141 118.8337 55.7717 42.4267 173.1849 21 V 4.8620 7.8768 111.9818 60.2990 34.5550 174.6241 22 E 3.8063 8.4253 124.8567 54.6461 31.7227 176.5254 23 N 4.2574 9.0380 121.3215 53.6584 37.2990 173.9462 24 D 4.5695 7.7637 119.2406 54.0146 42.1978 175.0087 25 K 4.7514 8.6419 126.6963 55.7548 34.1082 175.1351 26 I 4.9663 9.6671 128.2418 59.5631 41.1808 174.4888 27 I 4.9731 9.4345 119.0460 59.0644 41.8976 174.0891 28 N 4.1882 8.7747 116.0791 54.3626 35.7490 175.2453 29 I 4.4168 8.6175 118.8386 61.5247 38.2596 175.7764 30 E 4.2030 8.9859 122.2479 54.9432 34.0372 175.7934 31 F 5.5401 7.7873 118.6783 56.7521 38.3561 177.0335 32 V 3.8955 7.9004 115.7052 64.1178 32.1253 177.0483 33 D 5.0637 7.8316 115.5350 52.2680 44.8791 175.4197 34 D 4.6802 9.0684 121.6141 57.7522 41.1449 177.6921 35 D 4.3893 8.2424 117.8579 54.5376 41.0067 175.8794 36 W 4.9427 8.0435 119.4649 53.6487 31.5728 175.9281 37 W 4.9298 7.4107 124.9992 55.5255 31.2001 175.1017 38 L 5.2959 8.7973 121.2862 54.7271 43.1338 176.1939 39 G 4.8274 8.5147 106.4927 46.1818 0.0000 170.3965 40 E 5.0347 8.5005 118.3231 55.4398 33.4886 175.4764 41 L 4.5524 9.1753 129.0383 54.3247 42.2313 177.6890 42 E 3.7869 8.4315 126.1814 59.2822 29.6528 178.4834 43 K 4.1349 8.2596 117.8357 59.1801 32.8803 176.9875 44 D 4.7343 7.8982 114.9286 52.4765 42.7663 175.5440 45 G 3.8444 9.2024 107.2312 46.7124 0.0000 173.1608 46 S 4.6358 8.0119 113.9426 57.1457 63.8946 172.7834 47 K 5.4324 8.4405 125.0037 53.2376 35.1043 175.7145 48 G 4.3875 8.3410 111.8856 46.0688 0.0000 171.8116 49 L 5.0921 8.0733 121.1938 54.6674 43.1497 176.2271 50 F 5.6456 8.8796 117.2564 54.5730 41.5852 172.4383 51 P 2.9700 0.0000 0.0000 61.4089 30.8220 176.7693 52 S 4.1019 7.2730 122.6237 60.9076 62.3112 176.0825 53 N 4.4181 7.4938 115.9243 54.7799 37.8056 175.2168 54 Y 4.3798 9.2164 116.5678 58.9474 38.4392 175.0011 55 V 4.8162 7.3623 112.1419 59.6880 36.2624 174.3337 56 S 4.7835 9.0250 117.8431 56.4763 64.9381 173.0960 57 L 4.2653 8.5151 127.2092 54.2809 42.5078 177.6521 58 G 2.1966 7.7635 112.4859 45.0237 0.0000 173.3689 59 N 4.5011 6.9718 121.7888 52.6578 37.3201 174.3613 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 8.25 4.41 1.25 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 0.00 0.00 2 P 0.00 4.47 0.00 2.05 2.19 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 3 W 8.71 5.52 0.00 3.70 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 4 A 9.77 4.56 1.14 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 5 T 9.02 4.91 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 1.26 0.00 0.00 6 A 9.26 4.34 1.25 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 0.00 0.00 7 E 8.62 4.41 0.00 1.18 1.12 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 2.03 2.08 0.00 8 Y 7.69 4.82 0.00 2.80 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 9 D 9.09 4.93 0.00 2.81 2.76 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 10 Y 9.53 4.46 0.00 3.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.34 0.00 2.51 2.42 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 0.00 12 A 5.80 3.26 1.16 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 0.00 0.00 13 A 8.46 4.10 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 14 E 9.03 4.40 0.00 1.79 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 2.14 2.22 0.00 15 D 8.09 5.10 0.00 2.66 3.07 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 0.00 0.00 0.00 0.00 16 N 7.40 4.66 0.00 2.63 2.70 0.00 0.00 6.75 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 17 E 7.51 4.96 0.00 2.04 2.43 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 1.89 2.07 0.00 18 L 9.49 4.84 0.00 2.20 2.12 1.38 0.09 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 19 T 8.21 4.23 4.07 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 0.00 0.00 0.00 0.82 0.00 0.00 20 F 7.81 5.10 0.00 3.26 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 21 V 7.88 4.86 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 1.07 0.00 0.00 1.01 0.00 0.00 22 E 8.43 3.81 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 23 N 9.04 4.26 0.00 2.88 2.94 0.00 0.00 6.94 8.07 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 24 D 7.76 4.57 0.00 2.83 2.76 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 25 K 8.64 4.75 0.00 1.95 1.65 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.55 7.81 26 I 9.67 4.97 1.77 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.80 0.79 0.00 0.00 27 I 9.43 4.97 1.91 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 1.34 0.89 0.93 0.00 0.00 28 N 8.77 4.19 0.00 2.93 2.96 0.00 0.00 6.97 7.47 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 29 I 8.62 4.42 1.85 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 1.55 0.69 1.05 0.00 0.00 30 E 8.99 4.20 0.00 1.92 1.65 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 2.17 2.31 0.00 31 F 7.79 5.54 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.90 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 0.73 0.00 0.00 1.11 0.00 0.00 33 D 7.83 5.06 0.00 3.08 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 34 D 9.07 4.68 0.00 2.71 2.79 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 0.00 0.00 0.00 0.00 35 D 8.24 4.39 0.00 2.78 2.92 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 36 W 8.04 4.94 0.00 3.17 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 37 W 7.41 4.93 0.00 2.73 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 38 L 8.80 5.30 0.00 1.90 1.88 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.51 4.83 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 40 E 8.50 5.03 0.00 2.11 1.90 0.00 0.00 0.00 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 2.30 0.00 41 L 9.18 4.55 0.00 1.78 1.63 1.14 0.83 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 42 E 8.43 3.79 0.00 1.83 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 2.22 2.27 0.00 43 K 8.26 4.13 0.00 1.91 1.93 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.45 7.81 44 D 7.90 4.73 0.00 2.61 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 45 G 9.20 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 0.00 0.00 0.00 46 S 8.01 4.64 0.00 3.98 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 47 K 8.44 5.43 0.00 1.72 1.89 0.00 2.02 0.00 0.00 2.48 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.31 7.81 48 G 8.34 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 5.09 0.00 1.73 1.87 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.88 5.65 0.00 3.38 3.59 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 51 P 0.00 2.97 0.00 1.63 0.49 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.71 0.00 52 S 7.27 4.10 0.00 2.72 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 53 N 7.49 4.42 0.00 2.75 2.75 0.00 0.00 5.93 7.47 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 54 Y 9.22 4.38 0.00 3.01 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 55 V 7.36 4.82 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 -0.07 0.00 0.00 0.95 0.00 0.00 56 S 9.03 4.78 0.00 3.92 3.59 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 57 L 8.52 4.27 0.00 1.56 1.35 0.42 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.76 2.20 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 0.00 0.00 0.00 59 N 6.97 4.50 0.00 2.81 2.69 0.00 0.00 6.32 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