NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 I 4.2613 8.0244 121.4015 61.3408 38.3126 173.9690 14 L 4.6050 9.0682 130.1736 52.8729 45.0072 173.4091 15 T 5.0190 8.6437 121.8806 61.8459 71.2477 173.1335 16 I 4.4646 8.6001 126.2768 59.2528 40.9209 174.1975 17 R 4.7389 8.6881 128.8635 55.4951 31.4901 175.9721 18 L 4.7449 8.5340 123.1716 52.7000 44.4265 175.4924 19 L 4.6155 8.5825 126.7952 55.1416 43.0557 175.9437 20 M 4.9679 9.0161 125.1667 53.8791 36.6740 174.8295 21 H 4.8470 9.4918 121.2873 55.6449 29.4626 176.7991 22 G 3.6970 8.7359 108.6898 47.9309 0.0000 176.4227 23 K 4.0129 7.9470 119.3227 59.4795 32.5685 178.4312 24 E 4.0634 8.3332 118.3401 59.9650 29.2918 179.7746 25 V 3.8437 7.9954 118.7358 65.0945 31.0436 178.5540 26 G 3.6082 7.6481 104.6666 47.4041 0.0000 175.2007 27 S 4.3039 8.5227 115.7729 61.0618 62.1995 176.2280 28 I 3.7264 7.7436 121.3874 63.8773 36.7885 176.5965 29 I 4.1609 7.9261 119.3930 61.6370 37.7458 175.2673 30 G 3.8889 7.7905 109.8037 44.9477 0.0000 176.0230 31 K 3.8440 7.9046 126.3364 56.0598 30.9347 175.9355 32 K 4.4431 7.8153 117.3799 58.3702 32.1450 177.9819 33 G 5.2221 7.8093 119.3656 44.7109 0.0000 173.7369 34 E 3.9804 7.5526 119.8549 59.2379 28.9934 178.8933 35 S 4.1096 7.6820 113.2626 61.2136 62.3254 176.3408 36 V 3.6042 7.7447 120.5526 65.5729 31.4335 177.3343 37 K 3.8800 7.7193 119.5604 59.9552 31.9501 178.0797 38 R 3.9131 8.3839 118.1769 59.9359 30.1967 179.1102 39 I 3.8743 7.5132 118.1083 64.2408 36.7407 178.8143 40 R 3.9355 8.7437 119.5583 59.3233 29.6782 178.8871 41 E 4.0176 8.0158 117.0880 59.4234 29.7999 178.2568 42 E 4.1039 8.7074 118.9007 57.9943 29.8696 177.5010 43 S 4.4618 8.1923 112.6339 57.6466 64.4668 174.3350 44 G 3.6384 7.6285 107.2000 46.9191 0.0000 172.7821 45 A 4.7796 7.7763 118.2900 49.6320 22.7018 177.9704 46 R 4.2021 9.2360 121.0635 55.7458 30.3698 174.6850 47 I 4.8660 8.1383 126.8571 59.6503 38.7626 174.7710 48 N 5.1497 9.0527 125.3847 51.7543 42.5374 173.0433 49 I 5.2003 8.1457 124.1435 59.1278 40.2993 175.4390 50 S 4.3708 8.6030 122.4727 58.7969 63.2814 173.8417 51 E 4.5620 8.9292 119.1667 55.2395 31.9536 176.5377 52 G 4.0446 8.5415 103.8991 45.8730 0.0000 174.0627 53 N 4.7177 8.1890 116.9795 52.8849 36.6034 175.2986 54 C 4.5324 7.5180 117.6543 58.1526 30.1954 173.7927 55 P 4.4882 0.0000 0.0000 64.8852 32.2408 175.1048 56 E 4.7964 7.7003 121.6170 54.3579 31.2322 175.5289 57 R 4.7887 9.0754 126.2753 54.4204 34.2826 174.7151 58 I 4.8198 8.6870 123.4251 59.7870 39.9333 174.7970 59 I 5.1298 8.4589 127.5191 59.1134 39.2587 174.9708 60 T 4.5758 8.3880 124.4831 63.0752 70.2893 174.0155 61 L 5.2658 8.6075 124.3414 53.3719 45.2787 175.6037 62 T 5.7587 9.6494 120.8000 60.0302 72.1731 175.2468 63 G 3.7223 8.0124 111.2585 44.6245 0.0000 169.9296 64 P 4.8112 0.0000 0.0000 62.1570 33.9117 176.5719 65 T 3.8110 8.4985 115.3482 67.2527 68.2588 176.0688 66 N 4.4233 8.2332 117.2478 56.4719 38.6928 177.1316 67 A 4.2453 7.8533 122.6971 54.6456 18.5731 179.2940 68 I 3.6816 8.0092 118.5830 64.7555 37.2856 178.3565 69 F 4.6889 8.6267 121.5112 61.3996 39.1567 177.1079 70 K 3.8768 8.8727 118.1732 59.3874 31.8666 178.7951 71 A 4.0072 8.4861 121.2057 55.4038 18.2649 179.0411 72 F 4.0682 8.5172 118.6202 61.8559 39.3277 177.1792 73 A 3.9184 8.3336 119.9209 55.5344 18.0266 179.5660 74 M 4.0024 8.1724 117.2791 58.3850 31.9505 178.7711 75 I 3.5783 7.9584 120.3951 64.5568 37.2010 178.1843 76 I 3.4535 7.6703 120.6747 64.9054 36.8164 178.2365 77 D 3.9646 7.8386 119.1915 56.9353 40.3791 178.7352 78 K 4.0216 7.5315 119.3260 59.2749 32.4591 178.7641 79 L 4.0687 8.0739 119.4303 57.8765 41.4228 178.7059 80 E 3.9122 8.7529 119.2473 59.4303 29.5221 178.0817 81 E 4.4307 7.5196 113.6968 56.5636 30.9363 176.9780 82 D 4.6228 7.8224 119.7949 53.4895 41.5409 175.7016 83 I 3.6484 8.0887 122.5401 61.5889 37.3558 174.1474 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 13 I 8.02 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.06 0.91 0.00 0.00 14 L 9.07 4.60 0.00 1.67 1.45 0.88 0.38 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 15 T 8.64 5.02 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 16 I 8.60 4.46 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.91 0.00 0.00 17 R 8.69 4.74 0.00 1.72 1.84 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 18 L 8.53 4.74 0.00 1.62 1.60 1.13 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.58 4.62 0.00 1.64 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 M 9.02 4.97 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 21 H 9.49 4.85 0.00 3.18 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.01 0.00 1.75 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 24 E 8.33 4.06 0.00 2.14 2.02 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 2.43 2.45 0.00 25 V 8.00 3.84 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 0.91 0.00 0.00 0.94 0.00 0.00 26 G 7.65 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 27 S 8.52 4.30 0.00 3.84 3.96 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 28 I 7.74 3.73 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.91 0.00 0.00 29 I 7.93 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.91 0.00 0.00 30 G 7.79 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 0.00 0.00 0.00 31 K 7.90 3.84 0.00 2.18 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.38 7.81 32 K 7.82 4.44 0.00 1.75 1.85 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 G 7.81 5.22 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 0.00 0.00 0.00 34 E 7.55 3.98 0.00 2.17 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 0.00 2.35 2.30 0.00 35 S 7.68 4.11 0.00 4.10 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 36 V 7.74 3.60 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 0.98 0.00 0.00 1.05 0.00 0.00 37 K 7.72 3.88 0.00 1.79 2.00 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.53 7.81 38 R 8.38 3.91 0.00 2.04 1.99 0.00 3.33 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 39 I 7.51 3.87 1.87 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 1.51 1.26 0.92 0.00 0.00 40 R 8.74 3.94 0.00 1.95 1.98 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 41 E 8.02 4.02 0.00 2.04 2.00 0.00 0.00 0.00 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 2.31 0.00 42 E 8.71 4.10 0.00 1.94 2.00 0.00 0.00 0.00 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 2.24 0.00 43 S 8.19 4.46 0.00 4.16 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 0.00 44 G 7.63 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 0.00 0.00 0.00 45 A 7.78 4.78 1.23 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 0.00 0.00 0.00 46 R 9.24 4.20 0.00 1.91 1.87 0.00 3.13 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 47 I 8.14 4.87 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.93 0.00 0.00 48 N 9.05 5.15 0.00 2.82 2.61 0.00 0.00 6.53 7.41 0.00 0.00 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 I 8.15 5.20 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.92 0.00 0.00 50 S 8.60 4.37 0.00 3.91 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 51 E 8.93 4.56 0.00 2.07 1.96 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 2.18 2.21 0.00 52 G 8.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.72 0.00 2.73 2.82 0.00 0.00 6.96 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 54 C 7.52 4.53 0.00 2.99 2.84 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 55 P 0.00 4.49 0.00 2.13 2.32 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 56 E 7.70 4.80 0.00 2.09 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 2.22 2.29 0.00 57 R 9.08 4.79 0.00 1.79 1.77 0.00 3.32 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 58 I 8.69 4.82 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 0.92 0.00 0.00 59 I 8.46 5.13 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 1.00 0.00 0.00 60 T 8.39 4.58 4.25 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 1.22 0.00 0.00 61 L 8.61 5.27 0.00 1.59 1.57 1.05 0.85 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 62 T 9.65 5.76 4.25 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 1.24 0.00 0.00 63 G 8.01 3.72 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 0.00 0.00 0.00 64 P 0.00 4.81 0.00 2.29 2.19 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 65 T 8.50 3.81 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 1.12 0.00 0.00 66 N 8.23 4.42 0.00 2.85 2.91 0.00 0.00 7.03 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 67 A 7.85 4.25 1.42 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 68 I 8.01 3.68 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.90 0.00 0.00 69 F 8.63 4.69 0.00 3.30 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 70 K 8.87 3.88 0.00 2.01 1.86 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.70 7.81 71 A 8.49 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.52 4.07 0.00 3.29 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 73 A 8.33 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.17 4.00 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 75 I 7.96 3.58 1.86 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 1.49 0.64 0.80 0.00 0.00 76 I 7.67 3.45 1.63 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.51 0.80 0.00 0.00 77 D 7.84 3.96 0.00 2.79 2.66 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 0.00 0.00 0.00 78 K 7.53 4.02 0.00 1.91 1.80 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.69 7.81 79 L 8.07 4.07 0.00 1.84 1.65 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.75 3.91 0.00 1.98 1.97 0.00 0.00 0.00 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 2.33 0.00 81 E 7.52 4.43 0.00 2.27 2.03 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 2.59 2.48 0.00 82 D 7.82 4.62 0.00 2.63 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 83 I 8.09 3.65 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.90 0.00 0.00