NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.1658 8.2549 117.2639 54.9518 30.8304 175.3026 4 P 4.1515 0.0000 0.0000 61.8855 32.1777 175.8081 5 D 4.3651 8.4794 120.6005 57.4060 41.6351 178.6835 6 F 4.4445 8.0990 114.4312 59.7226 37.5187 177.7926 7 C 4.5517 7.3328 116.4351 59.4728 39.9686 174.8862 8 E 4.0827 8.0941 118.9342 56.8206 29.7549 177.0133 9 L 4.1935 7.4068 119.4088 53.7731 42.2842 175.3614 10 P 4.3771 0.0000 0.0000 61.9732 32.0723 176.0472 11 A 3.0896 7.7219 122.4894 52.2382 18.1998 177.0847 12 D 4.5566 7.6630 120.5533 52.4048 42.8191 176.1139 13 T 4.2553 8.5276 124.8105 64.6907 68.7656 176.0508 14 G 4.3500 8.7752 108.4965 44.7858 0.0000 171.5444 15 P 4.4342 0.0000 0.0000 64.8567 32.2427 177.8656 16 C 4.4911 7.9778 116.0771 57.2047 40.6169 173.7274 17 R 4.5714 8.1131 120.2331 55.9917 30.7499 176.8733 18 V 3.7551 7.3366 117.5303 62.8731 33.1997 174.7320 19 R 4.3800 8.1273 125.0036 54.8975 31.1459 175.6706 20 F 4.7030 8.8124 126.5444 54.6708 41.4829 172.9901 21 P 4.4390 0.0000 0.0000 63.2865 31.8209 176.0651 22 S 4.8212 8.3853 118.9575 57.3772 68.2859 172.6167 23 F 5.7196 9.5608 118.6687 56.2651 42.8411 174.2016 24 Y 5.6833 9.4775 119.4006 55.5705 42.2511 173.3902 25 Y 4.4842 9.7979 123.1822 57.2574 40.3233 173.6829 26 N 4.5226 8.0089 126.6375 51.3385 39.2898 173.6332 27 P 4.0390 0.0000 0.0000 65.4634 31.7146 178.1567 28 D 4.4331 8.0822 116.7547 56.4254 40.8102 176.6449 29 E 4.4062 8.2215 116.6798 55.0983 30.1935 176.1667 30 K 4.6549 7.6895 116.4993 55.2718 30.5610 174.2961 31 K 4.8405 7.0357 114.9339 55.7335 36.7726 173.9566 32 C 5.0072 8.4910 117.6609 56.5942 40.7659 173.5964 33 L 5.1017 8.4355 123.3510 52.5230 45.2144 175.8407 34 E 4.4379 8.8284 120.7227 56.6745 30.3323 176.1403 35 F 5.0356 9.0454 117.4376 55.7278 42.3271 172.6535 36 I 4.3056 8.3645 119.6773 59.4974 39.2712 173.8504 37 Y 4.7339 8.4764 131.7289 56.7781 39.7943 176.0415 38 G 4.2373 8.3243 113.3563 45.9374 0.0000 175.0117 39 G 3.8439 6.7225 108.1550 45.0601 0.0000 172.6221 40 C 5.0314 6.8479 112.7611 54.2980 45.7863 174.6377 41 E 3.4055 9.5385 119.9027 59.2385 27.8927 176.0754 42 G 3.9853 9.5312 114.5458 45.6943 0.0000 169.9044 43 N 4.8624 8.0542 115.8434 51.3453 40.3468 173.7897 44 A 3.6490 8.2507 119.4481 54.1218 18.7554 177.9104 45 N 4.9276 8.0831 116.7333 51.1223 36.8811 173.2730 46 N 4.8915 6.7578 113.8643 52.8764 41.5967 173.3381 47 F 5.0045 9.4736 125.7158 55.7730 42.5428 176.8911 48 I 4.0032 8.9144 123.0600 63.3885 37.7557 176.9704 49 T 4.6800 7.7346 110.0410 59.0304 72.5699 174.6900 50 K 3.2056 7.3493 123.4443 59.2556 32.0439 178.8791 51 E 3.7881 7.8169 118.4120 59.5140 29.4398 178.8939 52 E 3.8129 8.1159 119.0844 59.1225 29.7074 177.7818 53 C 2.4500 7.4578 118.0136 59.1102 43.0774 175.5595 54 E 3.7200 7.9933 120.0235 59.4393 28.8634 179.0001 55 S 3.9627 7.7254 111.8558 61.9367 62.3789 176.0644 56 T 4.1223 7.5994 116.7662 65.5039 68.5523 174.9941 57 C 4.4068 7.7749 114.9882 56.4336 42.6955 173.8567 58 A 3.7771 7.7308 127.0019 52.0796 18.1326 176.9086 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 3 R 8.25 4.17 0.00 1.92 1.86 0.00 2.79 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 4 P 0.00 4.15 0.00 1.11 1.88 0.00 3.29 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.09 0.00 5 D 8.48 4.37 0.00 2.72 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 6 F 8.10 4.44 0.00 3.26 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.33 4.55 0.00 2.88 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 8 E 8.09 4.08 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 9 L 7.41 4.19 0.00 1.85 1.64 1.00 0.96 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 10 P 0.00 4.38 0.00 2.07 2.01 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 11 A 7.72 3.09 -0.17 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 12 D 7.66 4.56 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 4.26 4.32 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 1.35 0.00 0.00 14 G 8.78 4.35 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 0.00 15 P 0.00 4.43 0.00 2.18 2.18 0.00 3.94 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 1.96 1.98 0.00 16 C 7.98 4.49 0.00 3.00 3.02 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 0.00 0.00 0.00 17 R 8.11 4.57 0.00 1.75 1.88 0.00 3.19 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 18 V 7.34 3.76 2.31 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 0.49 0.00 0.00 0.96 0.00 0.00 19 R 8.13 4.38 0.00 1.75 1.67 0.00 3.16 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 20 F 8.81 4.70 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 1.93 1.94 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 22 S 8.39 4.82 0.00 2.72 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.56 5.72 0.00 3.26 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 24 Y 9.48 5.68 0.00 3.28 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 25 Y 9.80 4.48 0.00 3.03 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 26 N 8.01 4.52 0.00 2.27 2.44 0.00 0.00 6.77 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 27 P 0.00 4.04 0.00 2.06 2.16 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 28 D 8.08 4.43 0.00 2.75 2.71 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 0.00 0.00 0.00 0.00 29 E 8.22 4.41 0.00 1.92 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 2.20 2.20 0.00 30 K 7.69 4.65 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.36 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.48 7.81 31 K 7.04 4.84 0.00 1.85 1.88 0.00 1.30 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.38 7.81 32 C 8.49 5.01 0.00 2.98 3.17 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 33 L 8.44 5.10 0.00 1.29 1.60 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.83 4.44 0.00 1.84 1.66 0.00 0.00 0.00 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 2.37 0.00 35 F 9.05 5.04 0.00 3.08 3.14 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 36 I 8.36 4.31 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.93 0.00 0.00 37 Y 8.48 4.73 0.00 2.73 2.86 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 38 G 8.32 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 0.00 0.00 0.00 0.00 39 G 6.72 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 40 C 6.85 5.03 0.00 3.03 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 41 E 9.54 3.41 0.00 2.17 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 42 G 9.53 3.99 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 0.00 0.00 0.00 43 N 8.05 4.86 0.00 2.71 2.75 0.00 0.00 5.85 7.26 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 44 A 8.25 3.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.93 0.00 3.22 3.00 0.00 0.00 6.91 7.54 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 46 N 6.76 4.89 0.00 2.69 2.38 0.00 0.00 7.08 7.02 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 47 F 9.47 5.00 0.00 3.27 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 48 I 8.91 4.00 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 1.02 0.00 0.00 49 T 7.73 4.68 4.16 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 1.25 0.00 0.00 50 K 7.35 3.21 0.00 0.79 1.33 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.26 1.24 7.81 51 E 7.82 3.79 0.00 1.96 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 2.31 2.28 0.00 52 E 8.12 3.81 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 53 C 7.46 2.45 0.00 2.70 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 54 E 7.99 3.72 0.00 1.87 1.87 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 2.29 2.35 0.00 55 S 7.73 3.96 0.00 3.83 3.95 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 56 T 7.60 4.12 4.14 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 1.43 0.00 0.00 57 C 7.77 4.41 0.00 2.57 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 0.00 0.00 0.00 58 A 7.73 3.78 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