NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6199 8.3481 122.2709 51.4034 19.2723 178.1199 2 T 5.0518 7.3047 110.4300 61.4473 70.1924 172.7036 3 Q 4.5650 7.7619 128.1312 54.4857 33.8829 175.6779 4 T 5.1896 8.0615 116.0115 62.3441 72.7095 173.6555 5 V 4.7724 8.8941 118.8812 59.9847 36.8671 174.3758 6 T 5.0599 8.3695 110.8103 60.3898 71.9639 173.3203 7 L 5.2319 8.7942 120.7818 53.0343 46.4734 175.8825 8 A 4.6775 8.7245 124.9324 50.4434 20.3316 175.1211 9 V 4.7983 7.9558 121.8093 60.0099 30.7288 174.9550 10 P 4.4729 0.0000 0.0000 64.3112 31.7977 179.1501 11 G 3.9979 7.5293 108.9773 48.9150 0.0000 172.7669 12 M 4.5745 6.9986 114.1688 56.9898 33.8759 173.6526 13 T 4.3282 7.8532 105.0183 61.2199 68.6836 170.9071 14 C 5.0613 6.8534 118.3280 58.3418 32.6774 174.7870 15 A 4.5540 8.2019 122.9668 49.5093 16.2049 175.4112 16 A 4.4621 7.4894 132.2882 51.4762 22.5654 178.6603 17 C 4.2475 7.2545 112.1726 60.8485 28.4985 174.6017 18 P 4.0309 0.0000 0.0000 65.9623 30.9825 178.5661 19 I 3.7348 7.7605 119.0252 64.2249 36.7722 178.3320 20 T 4.0211 7.7322 116.5726 66.3458 68.2268 176.8337 21 V 3.7235 7.8582 120.5837 65.6837 31.5862 177.9860 22 K 3.9752 7.9692 119.7169 59.3078 31.8324 178.7532 23 K 4.0501 7.9372 118.1655 58.8668 32.4513 178.4556 24 A 4.1281 7.9789 121.4936 55.3125 18.3304 179.6418 25 L 3.9601 8.0052 117.2939 57.8824 41.4246 179.7490 26 S 4.2076 7.9640 112.0241 59.9636 62.3720 174.9565 27 K 4.4738 7.5530 119.9930 55.7323 32.2760 176.9978 28 V 3.7228 7.3967 118.6814 63.3477 31.2092 177.8887 29 E 5.4200 7.2166 125.8474 56.3290 29.6364 177.1311 30 G 3.9898 7.6968 109.6950 45.2722 0.0000 173.4714 31 V 3.8772 7.5598 118.7540 62.4379 31.2622 175.7072 32 S 4.7199 8.5316 117.6331 58.5047 64.1253 173.3558 33 K 4.6075 7.8245 118.4617 56.0380 35.3461 174.0146 34 V 4.7873 8.0939 122.8850 62.1986 35.0470 174.3900 35 D 4.4457 9.0171 124.6647 54.3811 44.1868 174.7815 36 V 4.9156 8.0065 119.0896 59.7316 35.1566 174.5504 37 G 4.1191 8.6983 108.7643 44.3932 0.0000 172.8428 38 F 4.6896 9.0462 116.8145 57.9090 39.1043 178.8089 39 E 3.6113 8.7393 120.9359 58.9131 29.3775 176.6088 40 K 4.2353 8.8386 118.7148 59.9983 32.6162 179.0296 41 R 3.4223 7.8828 111.5621 54.6262 27.1603 174.1781 42 E 4.8026 8.5167 122.2749 55.6680 33.5724 173.8826 43 A 5.0141 8.9138 130.2277 50.0843 21.7094 175.2048 44 V 4.6911 8.4728 123.3164 60.2282 33.4821 175.3059 45 V 4.9856 8.8244 124.8628 61.2861 35.5423 174.1835 46 T 5.2100 8.4853 120.9838 61.3824 72.2635 173.2074 47 F 4.9725 7.8291 116.9986 57.1136 42.3359 171.8495 48 D 5.6240 8.2197 118.5638 52.1114 41.4475 177.6287 49 D 5.5507 8.7846 123.7536 56.2584 41.5836 178.0504 50 T 3.7679 8.0539 112.5357 64.7330 67.3811 174.2425 51 K 4.5751 8.2802 116.4785 55.6481 34.2557 175.1378 52 A 4.4797 7.3125 120.8364 52.8681 22.0590 174.6934 53 S 4.8669 7.6012 107.8168 56.7843 65.2048 178.6505 54 V 3.4673 8.2477 118.5357 64.8984 31.1551 178.7561 55 Q 3.9097 7.9205 118.4150 59.2170 29.0954 178.3206 56 K 3.9681 8.0160 119.3506 58.9594 31.8930 179.4838 57 L 3.8474 7.3884 119.1420 58.2060 41.8009 179.4516 58 T 3.9580 7.7470 114.9219 66.0790 68.3000 176.4557 59 K 4.0278 8.0890 121.4573 58.6606 31.9842 178.7360 60 A 3.9614 7.7142 120.8124 55.3282 18.6382 179.1793 61 T 4.0694 7.8605 111.0558 65.1278 67.3551 176.5194 62 A 4.1393 8.1725 123.9456 54.1978 18.0940 178.6668 63 D 4.2221 7.9139 115.3281 56.3707 41.5082 177.8291 64 A 4.1289 7.6990 120.2197 52.6221 18.4267 177.6661 65 G 3.7726 6.8893 106.6712 45.7962 0.0000 174.5590 66 Y 4.7688 7.4019 117.6975 54.4795 38.6894 170.0948 67 P 4.2836 0.0000 0.0000 62.8648 31.2703 175.5705 68 S 5.0988 8.1223 120.7021 56.9221 65.6934 171.6742 69 S 4.7327 8.2724 113.6544 58.0232 65.7901 174.0728 70 V 5.0163 8.1983 117.5082 59.8272 34.2857 176.1180 71 K 4.7545 8.5016 119.3611 55.7092 32.2816 175.7177 72 Q 4.1567 8.0644 122.0691 57.3598 28.1913 178.0117 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 A 8.35 4.62 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 2 T 7.30 5.05 4.10 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 1.21 0.00 0.00 3 Q 7.76 4.56 0.00 1.56 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.90 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 4 T 8.06 5.19 4.21 0.00 0.00 0.00 0.00 0.00 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 5 V 8.89 4.77 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 1.03 0.00 0.00 1.07 0.00 0.00 6 T 8.37 5.06 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 7 L 8.79 5.23 0.00 1.88 1.55 0.96 0.96 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 8 A 8.72 4.68 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 9 V 7.96 4.80 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 0.75 0.00 0.00 1.06 0.00 0.00 10 P 0.00 4.47 0.00 2.25 2.34 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 11 G 7.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.00 4.57 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.53 0.00 13 T 7.85 4.33 4.20 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 1.17 0.00 0.00 14 C 6.85 5.06 0.00 3.00 2.91 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 0.00 0.00 0.00 15 A 8.20 4.55 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 4.46 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 17 C 7.25 4.25 0.00 2.71 2.24 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 18 P 0.00 4.03 0.00 2.44 2.23 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 19 I 7.76 3.73 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.78 0.93 0.00 0.00 20 T 7.73 4.02 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 21 V 7.86 3.72 2.29 0.00 0.00 0.00 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 22 K 7.97 3.98 0.00 1.86 1.92 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 23 K 7.94 4.05 0.00 1.82 2.07 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 24 A 7.98 4.13 1.47 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 0.00 0.00 25 L 8.01 3.96 0.00 1.78 1.74 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.96 4.21 0.00 4.05 4.03 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 27 K 7.55 4.47 0.00 1.79 2.03 0.00 2.06 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.55 7.81 28 V 7.40 3.72 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 0.81 0.00 0.00 0.87 0.00 0.00 29 E 7.22 5.42 0.00 2.02 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 2.07 2.02 0.00 30 G 7.70 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 31 V 7.56 3.88 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.07 0.00 0.00 32 S 8.53 4.72 0.00 4.04 3.91 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 0.00 0.00 0.00 33 K 7.82 4.61 0.00 1.84 1.59 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 V 8.09 4.79 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 0.92 0.00 0.00 0.99 0.00 0.00 35 D 9.02 4.45 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.92 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 0.78 0.00 0.00 0.96 0.00 0.00 37 G 8.70 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.05 4.69 0.00 3.20 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 0.00 0.00 0.00 0.00 39 E 8.74 3.61 0.00 1.43 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 2.19 2.19 0.00 40 K 8.84 4.24 0.00 2.02 1.88 0.00 1.93 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 R 7.88 3.42 0.00 2.29 2.31 0.00 2.85 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 42 E 8.52 4.80 0.00 2.13 1.79 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 2.21 2.42 0.00 43 A 8.91 5.01 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 44 V 8.47 4.69 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 0.86 0.00 0.00 1.00 0.00 0.00 45 V 8.82 4.99 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 1.12 0.00 0.00 0.96 0.00 0.00 46 T 8.49 5.21 4.27 0.00 0.00 0.00 0.00 0.00 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 47 F 7.83 4.97 0.00 3.16 3.18 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 0.00 48 D 8.22 5.62 0.00 2.69 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 49 D 8.78 5.55 0.00 2.98 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.05 3.77 4.27 0.00 0.00 0.00 0.00 0.00 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 51 K 8.28 4.58 0.00 1.79 1.93 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 52 A 7.31 4.48 1.07 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 0.00 0.00 0.00 0.00 0.00 53 S 7.60 4.87 0.00 3.86 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 54 V 8.25 3.47 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 1.24 0.00 0.00 0.97 0.00 0.00 55 Q 7.92 3.91 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 56 K 8.02 3.97 0.00 1.71 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 57 L 7.39 3.85 0.00 1.75 1.63 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.75 3.96 4.23 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 1.30 0.00 0.00 59 K 8.09 4.03 0.00 2.04 1.87 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 60 A 7.71 3.96 1.39 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 0.00 0.00 61 T 7.86 4.07 4.30 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 1.36 0.00 0.00 62 A 8.17 4.14 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.91 4.22 0.00 2.73 2.79 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 64 A 7.70 4.13 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 65 G 6.89 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 66 Y 7.40 4.77 0.00 3.14 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 67 P 0.00 4.28 0.00 2.06 2.07 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 68 S 8.12 5.10 0.00 4.10 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 69 S 8.27 4.73 0.00 3.88 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 70 V 8.20 5.02 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 0.92 0.00 0.00 1.04 0.00 0.00 71 K 8.50 4.75 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 72 Q 8.06 4.16 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00