NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3241 8.4444 121.4785 55.4120 31.0193 174.4704 2 E 4.4488 8.6541 126.8574 55.4447 33.5999 172.5152 3 Y 3.2743 8.1193 121.3690 58.3924 37.7987 170.3564 4 V 4.2609 7.4663 127.1561 59.8915 31.7815 175.0449 5 G 3.5881 8.0730 108.2594 46.4427 0.0000 172.2493 6 L 4.5454 8.4369 126.4930 55.2152 42.8267 176.5367 7 S 4.9309 7.7248 113.7900 57.2818 64.8651 173.9770 8 A 4.6535 8.2643 123.2025 52.4853 19.4304 179.1020 9 N 4.2364 7.7981 119.6905 58.4505 39.1119 176.4383 10 Q 4.1537 8.1539 115.4665 58.4696 29.1475 177.3247 11 C 5.1795 7.7769 115.4760 56.8959 40.9837 173.9839 12 A 4.6525 7.7075 117.3494 51.1837 19.0325 177.0555 13 V 3.9914 6.9784 121.7531 61.2514 33.2515 174.3396 14 P 4.3771 0.0000 0.0000 63.2782 31.4910 176.8027 15 A 3.7839 7.4923 121.2787 52.1945 18.0646 179.1361 16 K 4.3707 7.3470 112.4359 57.1346 32.7311 176.5379 17 D 4.7743 7.5295 116.2429 54.0609 42.2325 175.1321 18 R 4.0044 7.8969 116.3364 55.7629 30.5391 176.6979 19 V 3.8332 8.4886 120.5600 61.8955 32.0649 173.8669 20 D 4.4277 8.2510 117.5985 55.4764 39.1081 173.3242 21 C 4.2341 9.0116 126.7241 57.1303 43.8829 171.0457 22 G 3.7657 7.5924 109.6053 45.4067 0.0000 172.1560 23 Y 4.8152 7.9630 121.6179 55.1270 41.4569 173.0900 24 P 4.4358 0.0000 0.0000 64.5518 32.1817 176.8412 25 H 4.6704 7.9199 121.7221 53.4725 27.7956 173.9916 26 V 4.2385 7.8819 120.2782 61.1097 33.2446 175.5639 27 T 3.8979 7.6570 112.7259 59.3685 71.5594 171.9373 28 P 3.7988 0.0000 0.0000 62.2471 31.1600 176.0944 29 K 4.6748 6.8262 126.3727 57.5547 36.1905 175.9855 30 E 3.7799 8.3415 120.4174 59.2058 29.2463 177.8681 31 C 3.9302 7.7672 117.9072 58.6480 39.1987 174.1832 32 N 5.1123 7.6894 117.6183 52.5604 36.8342 175.5812 33 N 4.4368 7.3293 119.9727 55.7390 39.7240 176.4914 34 R 4.2040 7.8483 119.5192 58.1171 31.3196 175.2760 35 G 3.7868 6.7673 107.1799 43.5040 0.0000 172.9056 36 C 5.0720 7.0289 120.8833 57.5819 43.6763 172.4820 37 C 5.3640 7.6393 114.2749 55.3637 43.5941 173.0553 38 F 4.9340 7.9424 122.6703 56.1993 41.9830 173.4715 39 D 3.9590 6.0500 116.4543 53.4628 44.9469 176.4955 40 S 2.0000 7.6065 116.5418 56.6578 64.2032 174.7349 41 R 3.9195 7.8090 122.8189 59.1029 28.9880 176.9677 42 I 4.8374 7.3642 110.1143 58.5669 40.5458 173.9829 43 P 4.6984 0.0000 0.0000 65.6677 31.8502 177.7223 44 G 4.0924 8.3399 107.2225 48.4036 0.0000 173.9903 45 V 4.0886 6.9869 112.5795 58.9286 32.7300 175.0625 46 P 4.6301 0.0000 0.0000 62.3669 30.1709 176.4823 47 W 4.6660 8.5238 126.0478 59.4067 30.2467 176.1853 48 C 4.6981 8.4866 123.0651 55.2493 38.8275 171.9036 49 F 5.5913 7.5824 120.4694 54.5859 41.4856 174.5144 50 K 4.6541 8.8901 119.0340 55.5256 33.0676 175.1387 51 P 4.6635 0.0000 0.0000 62.7333 31.6359 175.7303 52 L 3.7188 9.0703 125.5205 54.4626 42.6889 178.2561 53 Q 4.3420 8.4714 124.7652 55.2667 25.8406 174.0362 54 E 3.7760 8.0705 119.6108 57.8131 29.8773 177.3610 55 A 4.5584 8.1625 124.5644 51.1909 22.2402 174.9643 56 E 4.4371 8.4115 120.1096 55.7264 31.4926 172.5977 57 C 4.6288 8.1614 123.9378 59.3567 34.0222 173.3168 58 T 4.1072 7.9538 108.3666 62.3695 69.9372 172.7692 59 F 4.2055 9.1923 129.9140 58.8391 40.4045 174.6152 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 E 8.44 4.32 0.00 1.95 2.01 0.00 0.00 0.00 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 2.39 0.00 2 E 8.65 4.45 0.00 2.02 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 2.09 2.39 0.00 3 Y 8.12 3.27 0.00 3.11 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 4 V 7.47 4.26 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 0.63 0.00 0.00 0.94 0.00 0.00 5 G 8.07 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 0.00 0.00 0.00 6 L 8.44 4.55 0.00 1.70 1.75 0.91 0.66 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 7 S 7.72 4.93 0.00 3.95 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 8 A 8.26 4.65 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 9 N 7.80 4.24 0.00 2.61 2.84 0.00 0.00 7.03 6.94 0.00 0.00 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 Q 8.15 4.15 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 11 C 7.78 5.18 0.00 3.08 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 12 A 7.71 4.65 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 13 V 6.98 3.99 1.49 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 0.78 0.00 0.00 0.44 0.00 0.00 14 P 0.00 4.38 0.00 2.19 2.20 0.00 3.61 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 1.99 1.88 0.00 15 A 7.49 3.78 1.40 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 0.00 0.00 16 K 7.35 4.37 0.00 1.78 1.88 0.00 1.39 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 17 D 7.53 4.77 0.00 2.50 2.50 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 18 R 7.90 4.00 0.00 1.86 1.91 0.00 2.32 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 19 V 8.49 3.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 20 D 8.25 4.43 0.00 2.87 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 21 C 9.01 4.23 0.00 3.17 3.39 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 22 G 7.59 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.82 0.00 3.01 2.82 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 24 P 0.00 4.44 0.00 2.21 2.06 0.00 4.13 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 25 H 7.92 4.67 0.00 3.27 3.38 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.88 4.24 2.50 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 0.95 0.00 0.00 1.22 0.00 0.00 27 T 7.66 3.90 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 1.15 0.00 0.00 28 P 0.00 3.80 0.00 2.05 2.20 0.00 3.36 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 29 K 6.83 4.67 0.00 1.54 1.58 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.08 7.81 30 E 8.34 3.78 0.00 1.81 1.64 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 1.97 2.01 0.00 31 C 7.77 3.93 0.00 3.13 3.50 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 32 N 7.69 5.11 0.00 2.90 2.95 0.00 0.00 6.23 6.91 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 33 N 7.33 4.44 0.00 2.77 2.77 0.00 0.00 6.72 7.44 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 34 R 7.85 4.20 0.00 1.59 1.36 0.00 3.81 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 1.70 1.97 0.00 35 G 6.77 3.79 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 0.00 0.00 0.00 36 C 7.03 5.07 0.00 3.22 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 37 C 7.64 5.36 0.00 3.04 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 38 F 7.94 4.93 0.00 2.81 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 39 D 6.05 3.96 0.00 2.79 2.47 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 40 S 7.61 2.00 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 41 R 7.81 3.92 0.00 1.89 1.92 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 42 I 7.36 4.84 1.95 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 1.48 0.56 0.95 0.00 0.00 43 P 0.00 4.70 0.00 2.16 2.13 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 44 G 8.34 4.09 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 0.00 45 V 6.99 4.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.14 0.00 0.00 46 P 0.00 4.63 0.00 2.54 2.39 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 47 W 8.52 4.67 0.00 3.19 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 48 C 8.49 4.70 0.00 3.20 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 49 F 7.58 5.59 0.00 3.13 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 50 K 8.89 4.65 0.00 1.77 1.88 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 51 P 0.00 4.66 0.00 2.22 2.12 0.00 3.88 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 2.04 2.00 0.00 52 L 9.07 3.72 0.00 1.55 1.71 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.47 4.34 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 54 E 8.07 3.78 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 55 A 8.16 4.56 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 56 E 8.41 4.44 0.00 1.86 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 2.19 2.36 0.00 57 C 8.16 4.63 0.00 2.94 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 58 T 7.95 4.11 4.28 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 1.27 0.00 0.00 59 F 9.19 4.21 0.00 3.02 2.95 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