NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3999 8.3344 115.2903 58.0155 63.7101 173.3539 1 M 3.7795 8.9578 126.2222 58.0746 32.6608 175.0630 2 M 3.6287 8.7057 115.3653 54.7939 31.5981 174.2197 3 P 4.4874 0.0000 0.0000 62.7740 33.4600 177.2460 4 I 4.8400 8.3512 124.0984 59.6051 39.9417 174.8178 5 V 4.3354 8.9875 128.1936 61.0306 33.6240 173.6323 6 N 5.3442 8.7827 126.5141 51.8515 40.9854 173.7119 7 V 4.3211 8.8708 126.2236 61.1013 34.1957 174.1315 8 K 5.0613 8.6119 128.2341 55.2391 33.1592 176.1643 9 L 4.4680 8.6075 123.9881 53.8112 44.3108 174.6101 10 L 4.2958 8.3657 122.2531 55.5180 42.3477 176.4073 11 E 4.1382 9.0139 127.8483 57.2514 29.8717 175.5858 12 G 3.4213 8.8877 115.2871 45.2611 0.0000 174.2849 13 R 4.3143 7.5518 120.1639 55.5304 31.1163 177.0308 14 S 4.4277 8.8535 116.1791 58.1263 65.1769 175.2045 15 D 4.3723 8.6163 122.2906 57.6332 40.5093 179.1083 16 E 3.9757 8.0856 118.6724 59.4818 29.4944 179.1387 17 Q 4.0218 8.1705 118.0868 59.0120 28.7038 178.9264 18 L 3.9974 8.1528 120.0938 57.3010 41.6275 179.2796 19 K 3.8645 8.4109 120.1874 59.7632 32.0728 178.5897 20 N 4.3465 8.2429 116.5878 56.0705 38.3355 177.0780 21 L 3.9158 8.2401 122.1586 58.1471 42.1735 179.1740 22 V 3.5622 7.9347 118.1184 66.1835 31.3931 178.1262 23 S 4.1083 8.0624 114.7119 61.8156 62.6756 176.6547 24 E 3.9845 8.5803 121.5935 59.1274 29.2139 179.4612 25 V 3.5869 8.1212 118.7661 66.1689 31.4750 178.2336 26 T 3.8450 7.9426 115.4937 66.7293 68.2612 176.1515 27 D 4.3388 8.3361 120.7303 57.4429 40.9864 178.9177 28 A 3.9597 8.1496 121.0986 55.1166 18.4573 179.8902 29 V 3.5170 7.9318 116.8163 66.0339 31.7350 177.7973 30 E 3.8935 8.3918 119.3126 59.1346 29.2598 178.6924 31 K 3.9141 8.0193 118.6639 59.6802 32.4321 178.3734 32 T 4.2446 7.7070 107.7860 63.0441 69.2496 175.3150 33 T 4.3187 7.8374 109.7481 60.5759 70.5385 175.4421 34 G 3.8501 8.1585 108.9734 45.2042 0.0000 173.5190 35 A 4.0848 7.4847 122.0262 51.7025 19.1079 177.8968 36 N 4.4165 8.6429 119.3909 53.1669 39.4672 176.2082 37 R 3.8856 8.8163 123.1715 59.6497 30.2687 178.3569 38 Q 4.0272 8.0891 114.6194 57.9603 28.8808 176.3599 39 A 4.6119 8.0557 118.9070 51.6493 20.4170 175.9822 40 I 4.5864 7.5596 118.0716 60.3469 38.6029 175.0688 41 H 5.0025 9.2219 124.2963 53.8697 32.0251 173.1951 42 V 4.8907 8.3771 121.1742 61.0972 34.4598 174.5476 43 V 4.4549 9.0582 127.5162 61.1300 34.4712 173.8813 44 I 4.8639 8.4515 128.2619 59.7339 39.0929 174.5949 45 E 4.6369 9.2419 127.3507 54.5567 31.9149 174.8633 46 E 4.9418 8.6996 124.5729 55.5822 30.7478 176.0511 47 M 4.3682 8.8578 125.2638 54.8714 33.8332 175.9632 48 K 4.6642 8.4829 121.3560 54.6608 34.1950 174.7360 49 P 4.4372 0.0000 0.0000 64.6108 31.6985 176.4720 50 N 4.2703 8.7082 117.2890 54.2328 35.9342 174.3382 51 H 4.8609 8.0549 113.7809 55.2837 29.2141 173.2466 52 Y 4.7797 6.8512 117.1659 56.5083 40.2729 173.0665 53 G 4.0110 8.0316 108.2699 45.3078 0.0000 172.9341 54 V 4.3572 7.6059 117.1316 60.7744 34.1812 175.6419 55 A 3.7426 9.5538 122.9429 53.2840 15.8270 178.6407 56 G 3.9399 8.5075 104.8852 46.8976 0.0000 174.2078 57 V 4.4238 7.3293 118.4968 60.8434 34.5732 175.6367 58 R 4.4890 8.0621 124.2536 54.2659 28.2219 175.4090 59 K 4.5177 7.1366 117.5873 54.7236 36.8303 176.1952 60 S 4.6367 8.2856 115.4526 57.0443 63.8330 173.7335 61 D 4.5609 8.5436 120.4449 54.6923 40.5126 176.6483 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 0 S 8.33 4.40 0.00 3.85 3.83 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 1 M 8.96 3.78 0.00 2.08 2.08 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 2.59 2.65 0.00 2 M 8.71 3.63 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 3 P 0.00 4.49 0.00 2.13 1.96 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 4 I 8.35 4.84 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.90 0.00 0.00 5 V 8.99 4.34 2.08 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 0.93 0.00 0.00 0.94 0.00 0.00 6 N 8.78 5.34 0.00 2.73 2.66 0.00 0.00 6.90 7.71 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 7 V 8.87 4.32 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 0.86 0.00 0.00 0.92 0.00 0.00 8 K 8.61 5.06 0.00 1.61 1.64 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 L 8.61 4.47 0.00 1.61 1.64 0.89 0.11 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 10 L 8.37 4.30 0.00 1.61 1.62 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.01 4.14 0.00 2.08 1.86 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 2.33 2.47 0.00 12 G 8.89 3.42 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 0.00 0.00 0.00 13 R 7.55 4.31 0.00 1.81 1.94 0.00 3.37 0.00 0.00 3.48 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 14 S 8.85 4.43 0.00 4.20 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 15 D 8.62 4.37 0.00 2.78 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 16 E 8.09 3.98 0.00 2.05 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 2.40 2.46 0.00 17 Q 8.17 4.02 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 18 L 8.15 4.00 0.00 1.81 1.70 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.41 3.86 0.00 1.86 2.02 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 20 N 8.24 4.35 0.00 2.94 2.84 0.00 0.00 6.71 6.10 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 21 L 8.24 3.92 0.00 1.81 1.87 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.93 3.56 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 0.97 0.00 0.00 0.98 0.00 0.00 23 S 8.06 4.11 0.00 4.06 3.89 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 0.00 0.00 0.00 0.00 24 E 8.58 3.98 0.00 1.99 1.98 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 0.00 2.52 2.45 0.00 25 V 8.12 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 26 T 7.94 3.84 4.40 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 1.19 0.00 0.00 27 D 8.34 4.34 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 3.96 1.36 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 0.00 0.00 29 V 7.93 3.52 2.08 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 0.99 0.00 0.00 0.97 0.00 0.00 30 E 8.39 3.89 0.00 2.14 2.07 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 2.30 2.51 0.00 31 K 8.02 3.91 0.00 1.83 2.00 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 32 T 7.71 4.24 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 1.23 0.00 0.00 33 T 7.84 4.32 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 1.21 0.00 0.00 34 G 8.16 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 35 A 7.48 4.08 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 36 N 8.64 4.42 0.00 2.84 2.76 0.00 0.00 6.72 7.66 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 37 R 8.82 3.89 0.00 1.91 1.92 0.00 3.26 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 38 Q 8.09 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 39 A 8.06 4.61 1.28 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 0.00 0.00 0.00 40 I 7.56 4.59 1.93 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 1.22 0.80 0.90 0.00 0.00 41 H 9.22 5.00 0.00 3.09 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.38 4.89 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 43 V 9.06 4.45 2.08 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 0.96 0.00 0.00 0.93 0.00 0.00 44 I 8.45 4.86 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 1.33 0.73 0.89 0.00 0.00 45 E 9.24 4.64 0.00 1.82 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 2.21 2.34 0.00 46 E 8.70 4.94 0.00 1.83 1.86 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 2.24 2.31 0.00 47 M 8.86 4.37 0.00 1.80 1.65 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 48 K 8.48 4.66 0.00 1.32 1.59 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 49 P 0.00 4.44 0.00 2.07 2.04 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 50 N 8.71 4.27 0.00 2.91 2.94 0.00 0.00 6.86 8.16 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 51 H 8.05 4.86 0.00 3.47 3.41 0.00 5.88 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.85 4.78 0.00 3.19 3.03 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 53 G 8.03 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.61 4.36 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 0.81 0.00 0.00 0.95 0.00 0.00 55 A 9.55 3.74 1.37 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 0.00 0.00 0.00 56 G 8.51 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.33 4.42 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 0.97 0.00 0.00 0.98 0.00 0.00 58 R 8.06 4.49 0.00 1.73 1.68 0.00 3.31 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 59 K 7.14 4.52 0.00 1.66 1.65 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.37 7.81 60 S 8.29 4.64 0.00 3.96 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 61 D 8.54 4.56 0.00 2.71 2.59 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