NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.6747 8.4244 118.1259 53.1469 39.8628 173.1513 11 V 3.9919 8.1770 123.4010 60.8540 32.8159 174.1147 12 Q 4.2434 9.1662 126.8061 55.5930 30.4533 176.4215 13 R 4.2027 8.2853 119.0340 55.1450 32.2334 175.9241 14 P 4.1962 0.0000 0.0000 66.3658 31.1964 178.9780 15 L 4.0444 7.7934 114.9921 57.1136 41.9191 178.7626 16 D 4.6101 8.0537 118.8147 57.0674 41.1219 178.2430 17 A 4.0225 8.3906 121.6946 55.0530 18.3373 179.3222 18 L 3.8945 7.9541 118.9444 58.0709 42.0420 179.4407 19 G 3.9601 8.2277 105.7497 47.7663 0.0000 175.2342 20 N 4.5666 8.0856 117.4215 55.4290 38.8795 176.5075 21 S 4.5209 7.9856 115.5457 57.5327 63.3696 173.9839 22 L 4.3539 7.2747 122.6511 56.3425 41.7998 176.7125 23 N 4.3757 9.6020 119.4488 54.1584 36.6599 174.0395 24 S 5.0473 7.7335 113.7498 55.6890 67.0503 171.7747 25 P 4.9159 0.0000 0.0000 63.1913 32.6601 175.6045 26 V 5.0682 9.1907 115.5422 59.8129 36.8045 174.1532 27 I 5.0327 9.0251 122.4126 59.6770 40.6651 174.8129 28 I 4.7621 9.2373 127.4756 59.3796 40.0598 174.2329 29 K 4.5767 8.2182 128.9607 54.7505 33.9433 175.6026 30 L 5.0717 8.3862 127.0773 52.6090 44.8115 176.1091 31 K 4.1537 8.9195 121.1844 58.0055 32.1722 177.9510 32 G 3.9256 8.8810 111.5924 44.9196 0.0000 173.9556 33 D 4.6500 7.8538 117.4441 54.0530 39.7446 174.4042 34 R 4.2107 7.5152 118.2900 56.7137 31.7673 174.9192 35 E 5.2500 8.1368 119.5723 55.1936 33.2584 173.6415 36 F 5.4128 9.8883 124.8534 55.6675 43.4296 174.1241 37 R 5.0775 9.4012 116.7999 54.2720 33.4666 174.9320 38 G 4.2518 7.7125 105.5589 46.8843 0.0000 170.6493 39 V 4.7866 7.8668 120.5611 60.8914 33.1767 175.3552 40 L 4.2324 8.9165 131.3232 55.9003 42.2763 177.0860 41 K 4.3240 8.8108 126.5403 58.2078 33.7922 176.5490 42 S 4.7206 7.8128 112.0999 58.1723 66.0032 173.8116 43 F 5.7126 8.0976 114.2043 57.2068 40.5815 172.0957 44 D 4.9290 8.5395 118.0074 51.0604 42.3565 176.0583 45 L 4.0936 8.4193 118.1541 58.2942 40.4008 177.3858 46 H 4.5194 8.5633 116.2673 56.0306 29.0609 175.8856 47 M 3.3211 8.3932 118.5349 55.8616 31.3727 176.0283 48 N 4.8605 8.2303 113.9208 53.2412 39.9607 173.9269 49 L 5.3761 8.8714 120.7211 53.0737 46.8152 175.4249 50 V 4.8085 8.6755 120.6802 61.1718 34.3993 174.3428 51 L 5.3023 9.0646 127.2719 53.1162 45.3177 175.2539 52 N 5.0507 9.2059 120.0340 52.0571 41.1444 174.6556 53 D 4.4322 8.5495 118.9727 55.3591 38.9135 173.9451 54 A 4.7380 8.2922 119.8206 52.1083 20.4829 177.8420 55 E 5.0935 9.1331 118.5388 54.7659 34.7145 173.9475 56 E 4.2641 9.1849 124.6589 54.6053 31.1717 174.8847 57 L 5.1561 8.2577 127.0514 53.3005 44.6091 175.8111 58 E 4.4510 8.7132 120.6899 56.1941 32.8305 176.8964 59 D 4.0499 9.3108 124.4143 54.8104 40.2526 173.9749 60 G 3.8795 7.7874 115.5721 45.1516 0.0000 172.8467 61 E 4.6106 7.4723 118.7390 53.8755 31.9263 175.3096 62 V 3.9531 8.1786 120.3841 63.5535 31.8764 175.5405 63 T 4.4345 8.6669 121.7551 62.2326 68.8593 174.1684 64 R 4.4008 7.4619 117.8073 55.9924 33.5683 173.0105 65 R 4.8483 8.7769 125.3870 54.9889 30.9848 175.9145 66 L 4.4818 8.9275 123.6219 52.7116 44.0436 178.1951 67 G 3.9612 8.3628 107.4022 46.5532 0.0000 175.5434 68 T 5.0146 8.5997 122.1156 62.0936 69.2860 173.1806 69 V 4.5658 8.6185 119.0563 59.3984 36.3684 174.1474 70 L 4.9931 8.4719 124.8400 53.6183 43.7164 175.3368 71 I 4.3333 8.3659 127.5275 59.0586 39.5979 175.3858 72 R 4.3817 8.5360 127.9102 55.9422 30.9730 177.4380 73 G 3.8046 10.2077 114.8954 48.0929 0.0000 174.6353 74 D 4.6110 8.0235 116.3012 54.3812 39.6746 176.3291 75 N 4.6353 7.8900 117.5629 53.9135 39.2936 174.9842 76 I 4.1275 7.3282 119.8162 61.1774 37.9671 175.2757 77 V 4.2770 8.4661 125.6044 64.4034 32.3869 175.1733 78 Y 4.9826 7.0922 116.0994 55.9985 41.3065 172.7503 79 I 5.3146 8.5364 120.7728 59.7405 40.4001 174.9180 80 S 4.8149 9.1812 120.3575 56.3059 67.2656 172.8872 81 R 4.2643 8.6399 120.5656 56.6042 30.4882 176.4061 82 G 4.0462 8.7154 114.0463 45.2838 0.0000 173.7344 83 K 4.3059 8.6763 121.0258 56.6970 32.8652 176.9242 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 10 N 8.42 4.67 0.00 2.73 2.84 0.00 0.00 6.82 6.79 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 11 V 8.18 3.99 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 0.78 0.00 0.00 0.93 0.00 0.00 12 Q 9.17 4.24 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 13 R 8.29 4.20 0.00 1.83 1.85 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 14 P 0.00 4.20 0.00 2.13 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 L 7.79 4.04 0.00 1.66 1.86 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.05 4.61 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.89 0.00 1.53 0.86 -0.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.23 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 0.00 0.00 0.00 20 N 8.09 4.57 0.00 2.81 2.91 0.00 0.00 7.00 6.86 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 21 S 7.99 4.52 0.00 4.04 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 22 L 7.27 4.35 0.00 1.74 1.67 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.60 4.38 0.00 2.87 2.96 0.00 0.00 6.81 7.78 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 24 S 7.73 5.05 0.00 4.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.92 0.00 2.13 2.19 0.00 3.65 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 2.08 2.01 0.00 26 V 9.19 5.07 2.19 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 0.97 0.00 0.00 1.00 0.00 0.00 27 I 9.03 5.03 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 1.00 0.00 0.00 28 I 9.24 4.76 1.93 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 1.11 0.76 0.83 0.00 0.00 29 K 8.22 4.58 0.00 0.83 0.74 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.31 7.81 30 L 8.39 5.07 0.00 1.71 1.65 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.92 4.15 0.00 1.69 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 32 G 8.88 3.93 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 0.00 0.00 0.00 33 D 7.85 4.65 0.00 2.88 2.88 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 0.00 0.00 0.00 34 R 7.52 4.21 0.00 1.95 1.93 0.00 3.21 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 35 E 8.14 5.25 0.00 1.95 1.63 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 2.24 2.48 0.00 36 F 9.89 5.41 0.00 2.94 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 37 R 9.40 5.08 0.00 1.87 1.99 0.00 2.89 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 38 G 7.71 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 0.00 0.00 0.00 0.00 39 V 7.87 4.79 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 1.02 0.00 0.00 0.95 0.00 0.00 40 L 8.92 4.23 0.00 1.84 1.77 1.09 0.84 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 41 K 8.81 4.32 0.00 1.85 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.68 7.81 42 S 7.81 4.72 0.00 3.73 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 43 F 8.10 5.71 0.00 3.10 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 44 D 8.54 4.93 0.00 2.84 2.77 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 45 L 8.42 4.09 0.00 1.75 1.85 0.66 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.56 4.52 0.00 3.38 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.39 3.32 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 48 N 8.23 4.86 0.00 3.08 2.74 0.00 0.00 6.78 6.74 0.00 0.00 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 8.87 5.38 0.00 1.53 1.52 0.89 0.65 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 50 V 8.68 4.81 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 1.04 0.00 0.00 0.93 0.00 0.00 51 L 9.06 5.30 0.00 1.59 1.53 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.21 5.05 0.00 2.64 2.73 0.00 0.00 7.07 8.02 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 53 D 8.55 4.43 0.00 2.79 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 54 A 8.29 4.74 1.35 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 55 E 9.13 5.09 0.00 1.87 1.74 0.00 0.00 0.00 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 2.26 0.00 56 E 9.18 4.26 0.00 1.56 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 57 L 8.26 5.16 0.00 1.41 1.48 0.84 0.73 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 58 E 8.71 4.45 0.00 1.89 1.68 0.00 0.00 0.00 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 2.23 0.00 59 D 9.31 4.05 0.00 2.85 2.77 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 60 G 7.79 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.47 4.61 0.00 2.12 2.04 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 2.24 2.23 0.00 62 V 8.18 3.95 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 0.80 0.00 0.00 0.93 0.00 0.00 63 T 8.67 4.43 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 64 R 7.46 4.40 0.00 1.83 1.63 0.00 3.20 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 65 R 8.78 4.85 0.00 1.73 1.85 0.00 3.23 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 66 L 8.93 4.48 0.00 1.58 1.76 0.98 1.14 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 67 G 8.36 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 0.00 0.00 0.00 68 T 8.60 5.01 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 1.26 0.00 0.00 69 V 8.62 4.57 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 0.77 0.00 0.00 0.92 0.00 0.00 70 L 8.47 4.99 0.00 1.62 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.37 4.33 1.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.48 0.69 0.00 0.00 72 R 8.54 4.38 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.67 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 73 G 10.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.02 4.61 0.00 2.79 2.78 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 75 N 7.89 4.64 0.00 2.65 2.84 0.00 0.00 6.98 8.31 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 76 I 7.33 4.13 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.40 0.90 0.00 0.00 77 V 8.47 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 78 Y 7.09 4.98 0.00 3.04 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 79 I 8.54 5.31 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.91 0.00 0.00 80 S 9.18 4.81 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 81 R 8.64 4.26 0.00 1.83 1.87 0.00 3.28 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 82 G 8.72 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.68 4.31 0.00 1.89 1.97 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.41 7.81