NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4646 8.1627 120.3267 55.1434 34.2251 176.7811 2 T 3.6720 7.9127 116.0528 64.7810 67.2035 172.5454 3 E 4.1087 9.0919 120.6469 58.7588 29.5503 178.1956 4 E 3.7956 7.9513 118.2507 58.3017 29.5596 178.0675 5 M 3.7818 8.1191 116.9387 56.9759 32.1315 178.1320 6 L 3.6492 7.8694 119.7498 57.6930 41.6001 178.5748 7 Y 4.4576 7.5303 116.4028 59.1913 38.2627 177.7005 8 A 3.9057 6.7684 121.4006 54.5562 18.6562 179.1371 9 A 4.1764 8.8022 120.4276 55.1853 18.9087 179.5117 10 L 4.0131 7.5652 116.0925 58.3079 41.7168 179.9300 11 L 4.1475 7.9389 118.7676 57.7866 41.2998 179.7889 12 S 4.1704 7.8632 113.9069 62.0690 63.1516 175.8639 13 F 4.2643 8.5950 123.1315 61.0035 39.0800 176.6936 14 G 4.0068 8.8853 104.6701 48.4352 0.0000 174.9911 15 L 4.1220 8.1034 121.7481 57.5103 41.6664 179.8115 16 I 3.6100 7.8719 119.4413 64.7201 37.0557 178.5032 17 F 4.4680 9.0103 118.5631 60.2298 38.8127 178.1072 18 V 3.8378 7.9633 118.0798 65.7120 31.3589 178.2652 19 G 3.5607 8.6915 105.9845 47.4821 0.0000 175.2150 20 W 4.5429 8.6242 132.1823 60.5606 30.5224 177.6163 21 G 3.6792 8.5003 105.4627 48.3324 0.0000 175.2187 22 L 3.8638 8.1549 121.3258 57.0853 41.5897 180.1765 23 G 3.5746 8.3365 105.7628 47.7946 0.0000 175.5094 24 V 3.6177 8.1484 121.8792 65.6980 31.4560 177.6087 25 L 3.9463 8.7205 120.2693 58.3522 41.5622 179.2013 26 L 3.9648 7.9730 118.0909 57.7851 41.8642 179.0539 27 L 4.3864 8.0684 120.4457 57.3393 41.7180 179.5710 28 K 3.9423 8.4550 118.9804 59.1879 31.7940 177.7709 29 I 4.6104 7.3805 111.5520 60.8564 39.3705 176.1249 30 Q 4.4066 8.2294 117.4833 56.6383 34.2010 172.7879 31 G 4.1102 7.9689 108.3764 45.4637 0.0000 172.3942 32 A 4.5574 8.3130 129.2665 49.5472 20.8432 173.8885 33 E 4.1425 8.7207 125.6536 55.7468 28.9086 176.8076 34 K 4.1738 8.3950 125.4874 58.0312 33.3916 177.3468 35 E 4.2183 7.9366 124.7584 56.2458 29.8884 174.8929 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 M 8.16 4.46 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 2 T 7.91 3.67 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 1.21 0.00 0.00 3 E 9.09 4.11 0.00 2.09 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 2.44 2.44 0.00 4 E 7.95 3.80 0.00 2.06 1.86 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 0.00 2.35 2.32 0.00 5 M 8.12 3.78 0.00 2.11 2.22 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 2.46 2.73 0.00 6 L 7.87 3.65 0.00 1.74 1.80 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.53 4.46 0.00 3.19 3.21 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 8 A 6.77 3.91 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.80 4.18 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 10 L 7.57 4.01 0.00 1.84 1.81 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.94 4.15 0.00 1.90 1.82 1.29 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.86 4.17 0.00 3.96 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 13 F 8.60 4.26 0.00 3.25 3.22 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 14 G 8.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 4.12 0.00 1.96 1.84 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.87 3.61 1.61 0.00 0.00 0.75 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 0.64 0.41 0.00 0.00 17 F 9.01 4.47 0.00 3.27 3.24 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 V 7.96 3.84 2.36 0.00 0.00 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 0.00 0.00 1.03 0.00 0.00 19 G 8.69 3.56 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 0.00 0.00 0.00 20 W 8.62 4.54 0.00 3.33 3.25 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 21 G 8.50 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.15 3.86 0.00 1.87 1.77 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.34 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.15 3.62 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 0.99 0.00 0.00 0.88 0.00 0.00 25 L 8.72 3.95 0.00 1.82 1.82 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.96 0.00 1.98 1.73 0.93 1.07 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 27 L 8.07 4.39 0.00 1.87 1.73 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.45 3.94 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 29 I 7.38 4.61 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 1.83 0.60 0.91 0.00 0.00 30 Q 8.23 4.41 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.28 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 31 G 7.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.31 4.56 1.26 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 0.00 0.00 0.00 33 E 8.72 4.14 0.00 1.93 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 2.31 2.42 0.00 34 K 8.39 4.17 0.00 1.84 1.93 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.42 7.81 35 E 7.94 4.22 0.00 1.90 1.80 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 2.17 2.20 0.00