NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9125 8.3549 109.7358 44.4598 0.0000 174.0070 3 K 3.5305 7.7805 116.9515 56.2667 33.2596 171.6754 4 V 4.4282 8.6095 122.4436 61.3907 35.6839 173.5423 5 Y 4.9728 8.7834 124.2974 56.3081 40.5922 174.6789 6 K 4.5366 8.1122 122.2452 54.5034 35.4136 174.7781 7 K 5.0560 8.4632 124.0622 54.6628 34.6594 175.8653 8 V 4.5404 8.6460 117.0706 59.4885 35.5431 174.2588 9 E 4.8890 8.7698 124.6558 54.9712 30.5416 174.9129 10 L 4.8812 8.9341 127.1976 52.8356 45.6060 175.7592 11 V 4.7595 8.3232 121.0472 61.2226 33.4041 175.2273 12 G 4.1944 8.8889 116.0429 45.7495 0.0000 172.2893 13 T 5.3921 8.0393 110.9511 60.1699 72.2098 172.9173 14 S 4.6608 8.6922 115.1761 57.9570 65.9607 175.6864 15 E 4.4943 8.9647 123.7495 57.3564 30.0620 178.0676 16 E 4.1360 8.4153 118.8396 57.4265 30.0081 176.6893 17 G 3.3138 7.1271 104.1116 44.4482 0.0000 173.1877 18 L 3.7581 7.3599 118.0887 57.8725 41.5401 179.0904 19 E 3.8953 8.1449 117.7827 59.7279 29.3816 179.3946 20 A 3.9236 7.8810 119.6736 54.8013 18.5750 179.4744 21 A 3.8935 7.6895 119.0955 55.3044 18.5268 179.8049 22 I 3.4907 7.6363 118.2638 64.7886 37.1926 178.6530 23 Q 3.8982 8.1972 118.6129 58.7986 28.4548 179.0060 24 A 3.9067 7.9811 121.5595 55.0306 18.3822 179.4139 25 A 3.8640 7.7197 118.8474 55.5036 18.4776 179.9681 26 L 3.8285 7.9023 117.1442 57.6326 41.3991 179.5590 27 A 3.9531 8.1381 120.6198 55.0546 18.7117 179.4167 28 R 3.9103 7.9859 117.0054 59.3204 30.1384 178.3113 29 A 3.8949 8.0690 120.8473 55.3696 18.1843 179.4462 30 R 3.8852 7.7945 114.6029 58.4553 30.1840 178.2508 31 K 4.1708 7.6350 117.3280 58.9003 32.1589 177.6124 32 T 4.4886 7.6847 105.7714 60.6570 70.5961 173.6710 33 L 4.4647 7.7535 121.6375 52.8094 43.4692 175.8705 34 R 4.5297 7.9037 120.1922 55.6856 33.1832 174.9439 35 H 4.1953 8.5721 114.1644 56.7296 26.0059 175.0972 36 L 4.4675 8.1950 119.0233 55.6756 42.0384 175.9104 37 D 5.2010 9.2716 123.0525 55.3068 42.9810 176.3470 38 W 5.5219 7.8349 113.2647 55.3040 31.8698 173.0079 39 F 5.3664 8.4061 114.1257 55.3004 40.7631 173.5861 40 E 4.7863 9.3723 119.7901 54.6131 33.0716 175.0847 41 V 4.3839 8.5971 124.0298 62.6856 31.9569 175.1963 42 K 4.5181 9.4937 127.5368 57.8389 33.7352 176.7504 43 E 4.8396 7.9795 117.0688 54.6664 34.4001 174.4278 44 I 5.0311 8.4577 122.3789 59.8492 39.9796 174.6125 45 A 4.6931 8.8997 128.6867 51.8936 23.0294 174.1171 46 G 4.1779 8.1556 103.0186 46.8470 0.0000 173.0125 47 T 4.7020 7.9234 110.2801 60.2190 71.4977 173.6906 48 I 4.7940 8.2333 122.8177 59.8184 39.9454 175.4653 49 G 4.3485 8.9247 116.3742 44.2934 0.0000 172.9044 50 E 3.9460 8.9089 117.4412 58.7162 29.7066 177.4635 51 A 4.5840 8.0108 119.6756 51.7798 20.3800 176.6124 52 G 3.9803 7.5911 105.3876 44.6661 0.0000 176.3630 53 V 3.7203 8.2018 125.2790 63.1679 31.6630 175.0879 54 K 4.1754 8.8493 129.1529 58.4317 33.4315 175.8476 55 E 4.6614 7.6348 119.2199 54.4525 33.0001 173.7356 56 Y 4.6525 9.0051 125.3613 57.9268 39.6276 174.6247 57 Q 5.0695 9.5326 122.3496 54.1438 32.7349 174.3536 58 V 4.7059 8.9028 124.7016 60.9949 34.3520 174.3910 59 V 4.6286 8.6278 129.2738 62.1360 32.5866 174.7399 60 L 5.3692 9.1721 127.8779 54.2711 44.4876 174.9532 61 E 4.9325 9.2154 120.7151 55.1610 31.6407 175.0557 62 V 4.5355 8.7912 124.9980 61.0043 34.0124 174.3636 63 G 3.3698 8.1511 115.5842 43.9401 0.0000 172.2413 64 F 5.6692 8.4738 118.2520 54.8847 41.9519 173.6614 65 R 4.1726 8.8136 121.5432 56.1721 30.5739 175.9827 66 L 4.2956 8.2745 127.2366 54.7362 42.3497 177.7854 67 E 4.3293 8.6856 123.6989 57.8733 31.4558 175.9982 68 E 5.0738 8.8238 110.0238 58.7054 29.9903 176.3540 69 T 3.8656 8.2481 116.6158 62.9137 70.4260 173.1391 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 2 G 8.35 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 0.00 0.00 0.00 3 K 7.78 3.53 0.00 1.76 1.40 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.48 7.81 4 V 8.61 4.43 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 1.07 0.00 0.00 0.89 0.00 0.00 5 Y 8.78 4.97 0.00 3.05 3.05 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 6 K 8.11 4.54 0.00 1.49 0.74 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.26 7.81 7 K 8.46 5.06 0.00 1.62 1.62 0.00 1.97 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.08 1.38 7.81 8 V 8.65 4.54 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 0.91 0.00 0.00 1.08 0.00 0.00 9 E 8.77 4.89 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 10 L 8.93 4.88 0.00 1.56 1.48 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.32 4.76 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.89 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.04 5.39 4.37 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 1.22 0.00 0.00 14 S 8.69 4.66 0.00 3.91 3.76 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 15 E 8.96 4.49 0.00 2.03 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 2.48 2.30 0.00 16 E 8.42 4.14 0.00 1.98 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 2.35 2.27 0.00 17 G 7.13 3.31 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 0.00 0.00 0.00 18 L 7.36 3.76 0.00 1.56 1.64 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.14 3.90 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 2.39 2.45 0.00 20 A 7.88 3.92 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 21 A 7.69 3.89 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.64 3.49 1.86 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 1.42 0.92 0.33 0.00 0.00 23 Q 8.20 3.90 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 24 A 7.98 3.91 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 25 A 7.72 3.86 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.90 3.83 0.00 1.72 1.63 0.51 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.14 3.95 1.31 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 0.00 0.00 28 R 7.99 3.91 0.00 1.92 2.04 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.07 3.89 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.79 3.89 0.00 1.78 2.15 0.00 3.24 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.64 4.17 0.00 1.98 1.81 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.40 7.81 32 T 7.68 4.49 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 1.17 0.00 0.00 33 L 7.75 4.46 0.00 1.42 0.95 0.39 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.90 4.53 0.00 1.67 1.52 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 35 H 8.57 4.20 0.00 3.66 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.19 4.47 0.00 1.67 1.67 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.27 5.20 0.00 3.12 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 38 W 7.83 5.52 0.00 3.27 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 39 F 8.41 5.37 0.00 3.00 2.93 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 40 E 9.37 4.79 0.00 1.96 1.92 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 2.34 2.49 0.00 41 V 8.60 4.38 2.17 0.00 0.00 0.00 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 1.13 0.00 0.00 42 K 9.49 4.52 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.57 7.81 43 E 7.98 4.84 0.00 1.88 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 2.31 2.35 0.00 44 I 8.46 5.03 1.92 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 1.32 0.66 1.00 0.00 0.00 45 A 8.90 4.69 1.21 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 0.00 0.00 0.00 46 G 8.16 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 0.00 0.00 0.00 0.00 47 T 7.92 4.70 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 1.18 0.00 0.00 48 I 8.23 4.79 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.93 0.00 0.00 49 G 8.92 4.35 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 0.00 50 E 8.91 3.95 0.00 1.96 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 2.30 2.24 0.00 51 A 8.01 4.58 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 52 G 7.59 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.20 3.72 1.83 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 -0.32 0.00 0.00 0.69 0.00 0.00 54 K 8.85 4.18 0.00 1.83 1.69 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.35 7.81 55 E 7.63 4.66 0.00 2.03 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 2.20 2.26 0.00 56 Y 9.01 4.65 0.00 3.04 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 57 Q 9.53 5.07 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.90 4.71 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 0.97 0.00 0.00 0.96 0.00 0.00 59 V 8.63 4.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 60 L 9.17 5.37 0.00 1.98 1.76 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.22 4.93 0.00 1.89 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 2.29 2.42 0.00 62 V 8.79 4.54 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 0.92 0.00 0.00 0.90 0.00 0.00 63 G 8.15 3.37 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 0.00 64 F 8.47 5.67 0.00 3.36 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 65 R 8.81 4.17 0.00 2.07 1.96 0.00 3.12 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.00 66 L 8.27 4.30 0.00 1.58 1.55 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.69 4.33 0.00 2.00 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 2.38 2.42 0.00 68 E 8.82 5.07 0.00 2.01 1.89 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 2.00 2.10 0.00 69 T 8.25 3.87 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 1.22 0.00 0.00