NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 M 4.3964 8.1585 118.1951 54.7336 32.9783 175.7830 20 A 3.8909 8.7420 122.9957 55.3232 18.2635 178.9928 21 K 3.9500 8.1531 116.7695 59.2623 32.4081 177.8550 22 K 3.8822 7.8962 118.3725 59.6821 32.3735 177.8042 23 D 4.5387 8.5774 118.5503 57.4805 40.8625 178.4225 24 I 4.1897 7.4785 117.7885 62.3156 38.1681 176.3813 25 M 4.4942 7.5790 118.3573 55.0077 33.6759 178.0013 26 G 4.1587 7.9061 108.8348 45.8449 0.0000 174.7593 27 D 4.9979 8.4942 125.8228 52.1254 44.6056 174.3193 28 K 4.5637 8.1198 119.8440 55.1400 35.0749 175.8044 29 T 4.1325 8.3643 122.7585 63.8232 69.1426 173.8844 30 V 4.4661 7.8681 122.4668 61.7013 34.6490 173.8658 31 R 4.6251 8.2403 123.7578 54.8723 31.9352 175.8801 32 V 4.4576 7.7723 118.6487 59.9877 34.9600 175.1494 33 R 3.9059 8.6639 122.3659 56.8251 30.9171 177.7582 34 A 4.0402 8.6812 125.7727 55.1975 18.3961 179.2719 35 D 4.3281 8.0360 117.2924 56.6050 39.3792 178.7420 36 L 4.0090 7.8494 119.9834 57.5773 41.7000 178.4975 37 H 4.0932 8.3311 118.2624 59.6359 29.7179 176.5393 38 H 4.1630 8.6124 120.2043 59.5525 29.6276 177.0438 39 I 3.6456 7.5565 121.4686 64.6222 36.8421 178.5312 40 I 3.7536 7.5066 120.5013 63.9841 36.8906 178.3816 41 K 3.8761 8.1014 120.7672 59.4115 31.9580 178.9958 42 I 3.6221 7.8490 120.1918 64.3009 37.0531 177.8800 43 E 3.9108 8.0577 120.3572 59.6386 29.2349 179.0456 44 T 4.3649 8.2632 109.8384 64.1082 68.8940 175.9329 45 A 4.1319 7.8773 122.8036 55.1859 18.4931 179.3892 46 K 4.0064 8.2396 115.8187 59.2411 32.5102 178.4650 47 N 5.0515 8.4356 116.4594 51.6461 43.0072 174.2614 48 G 3.7041 8.3488 109.6516 46.3832 0.0000 172.9263 49 G 4.1524 9.2188 107.7657 45.1863 0.0000 172.3703 50 N 5.0445 8.0683 113.5443 50.0617 41.8182 175.5286 51 V 3.5867 8.2188 119.6635 66.0248 31.5828 177.4518 52 K 3.7803 8.2479 118.8530 59.9786 31.9372 177.7447 53 E 3.8488 8.7245 119.6845 59.5763 29.5009 179.3765 54 V 3.6341 7.3719 116.6201 66.2033 31.5011 177.9140 55 M 4.0772 8.1269 118.5473 58.4496 31.6908 178.5017 56 D 4.3568 8.4817 119.4530 57.2804 40.9337 178.8358 57 Q 3.9492 8.0225 117.8192 58.9148 28.7469 178.2149 58 A 4.0176 8.2056 122.1236 55.4944 18.3448 179.4541 59 L 3.9193 8.2177 118.4689 58.2798 42.1311 178.7433 60 E 3.9870 8.5585 119.6097 59.4978 29.1102 178.6947 61 E 3.9790 8.7397 119.0469 59.3845 29.3895 178.7091 62 Y 4.1806 8.2871 119.8544 60.8363 38.8067 178.2475 63 I 3.8875 8.2322 120.8244 64.4724 37.0834 178.3958 64 R 4.0088 8.2144 117.1123 57.6191 29.9035 177.9324 65 K 4.0442 7.2107 117.5819 58.2434 33.0814 177.0439 66 Y 4.4467 7.5945 113.9750 57.8701 40.1852 175.8900 67 L 4.8915 8.1098 119.8795 52.7084 42.4486 175.6860 68 P 4.2898 0.0000 0.0000 65.6334 31.9628 178.5120 69 D 4.5373 8.0279 116.1024 54.4894 39.6053 176.6239 70 K 4.4006 7.7859 118.2944 56.6374 32.8572 176.5448 71 L 4.3748 7.5519 124.2200 54.8636 42.4620 176.1239 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 19 M 8.16 4.40 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 20 A 8.74 3.89 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 21 K 8.15 3.95 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 22 K 7.90 3.88 0.00 1.75 1.98 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 23 D 8.58 4.54 0.00 2.86 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 24 I 7.48 4.19 2.03 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 1.52 0.53 0.91 0.00 0.00 25 M 7.58 4.49 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 26 G 7.91 4.16 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 0.00 0.00 0.00 27 D 8.49 5.00 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.56 0.00 1.63 1.61 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.51 7.81 29 T 8.36 4.13 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 1.20 0.00 0.00 30 V 7.87 4.47 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 0.75 0.00 0.00 0.91 0.00 0.00 31 R 8.24 4.63 0.00 1.81 1.80 0.00 3.22 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 32 V 7.77 4.46 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 0.78 0.00 0.00 0.94 0.00 0.00 33 R 8.66 3.91 0.00 1.89 2.14 0.00 3.18 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 34 A 8.68 4.04 1.30 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 0.00 0.00 0.00 35 D 8.04 4.33 0.00 2.90 2.95 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 L 7.85 4.01 0.00 1.73 1.77 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.33 4.09 0.00 3.30 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.61 4.16 0.00 3.40 3.49 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.56 3.65 2.06 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 1.53 0.49 0.90 0.00 0.00 40 I 7.51 3.75 1.90 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 1.59 0.97 0.87 0.00 0.00 41 K 8.10 3.88 0.00 1.74 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 42 I 7.85 3.62 1.78 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.37 0.87 0.00 0.00 43 E 8.06 3.91 0.00 2.15 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 0.00 2.30 2.36 0.00 44 T 8.26 4.36 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 1.21 0.00 0.00 45 A 7.88 4.13 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 46 K 8.24 4.01 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 47 N 8.44 5.05 0.00 2.61 2.77 0.00 0.00 7.14 7.42 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 48 G 8.35 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 49 G 9.22 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.07 5.04 0.00 2.98 2.87 0.00 0.00 7.06 7.55 0.00 0.00 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 V 8.22 3.59 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 0.98 0.00 0.00 0.85 0.00 0.00 52 K 8.25 3.78 0.00 1.86 1.98 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.53 7.81 53 E 8.72 3.85 0.00 2.27 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 0.00 2.32 2.37 0.00 54 V 7.37 3.63 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 1.07 0.00 0.00 0.92 0.00 0.00 55 M 8.13 4.08 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.73 0.00 56 D 8.48 4.36 0.00 2.81 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 57 Q 8.02 3.95 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 58 A 8.21 4.02 1.40 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 0.00 0.00 0.00 59 L 8.22 3.92 0.00 1.85 1.87 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.56 3.99 0.00 2.15 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 0.00 2.33 2.38 0.00 61 E 8.74 3.98 0.00 2.23 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 2.35 2.57 0.00 62 Y 8.29 4.18 0.00 3.11 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 63 I 8.23 3.89 2.10 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.90 1.03 0.00 0.00 64 R 8.21 4.01 0.00 1.75 1.96 0.00 3.32 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 65 K 7.21 4.04 0.00 1.56 1.67 0.00 1.49 0.00 0.00 1.20 0.00 0.00 2.28 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.90 7.81 66 Y 7.59 4.45 0.00 2.47 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 67 L 8.11 4.89 0.00 1.79 1.59 1.07 1.21 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 68 P 0.00 4.29 0.00 2.19 2.40 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 69 D 8.03 4.54 0.00 2.81 2.83 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 70 K 7.79 4.40 0.00 1.93 1.91 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.57 7.81 71 L 7.55 4.37 0.00 1.58 1.51 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00