NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2758 8.1844 120.6285 54.3135 43.1018 175.2921 2 Q 3.6529 8.6464 119.9693 57.5829 29.1530 174.7636 3 R 3.8543 8.3550 126.4496 56.8599 28.3438 173.9828 4 M 4.5381 8.4653 116.9591 53.5915 33.4392 178.5511 5 K 5.2694 7.5321 129.5336 57.1006 32.5712 175.9683 6 Q 4.2574 7.2278 117.7536 58.3308 29.1680 177.9210 7 L 4.1570 7.7573 119.4091 56.8746 41.6705 179.1847 8 E 3.9297 8.1622 118.0729 59.6715 29.4251 178.6190 9 D 4.2473 8.1874 119.1718 56.4647 40.9914 178.1944 10 K 3.9031 7.8358 119.0748 59.5571 32.6514 178.5765 11 V 3.7224 8.4076 118.8922 65.8457 31.4609 177.5505 12 E 3.9255 8.9095 119.4988 59.4772 29.4266 178.5077 13 E 4.0162 8.3664 118.4976 59.6102 29.3169 179.2344 14 L 4.0665 7.6804 119.0197 57.6157 41.6923 179.1324 15 L 4.0608 7.9131 118.0113 58.3518 41.5341 179.5401 16 S 4.1981 7.8600 113.4991 61.2002 62.9367 176.0733 17 K 4.3001 7.7685 121.0040 58.4102 32.7090 177.6712 18 N 4.2710 8.8174 118.2942 57.1660 38.1493 176.1401 19 Y 4.2828 8.4341 121.0993 60.9788 38.5474 177.3046 20 H 4.4472 8.2711 118.5133 58.3575 30.0246 176.9499 21 L 3.9536 8.1175 122.8733 58.1675 42.0011 178.2730 22 E 3.9721 8.0583 118.9191 59.4376 29.4546 178.5096 23 N 4.3209 7.7208 116.9761 56.1545 38.4965 176.9373 24 E 3.8317 7.7707 120.2532 59.4048 29.8378 178.6681 25 V 3.4224 7.7408 118.0942 66.4265 31.2990 177.6593 26 A 3.9535 8.0735 120.1031 55.2458 18.2579 179.5763 27 R 3.8409 8.1245 115.9416 59.3320 30.1940 179.0264 28 L 3.9078 8.7583 120.7122 58.2269 41.9712 179.0489 29 K 3.9945 8.3464 119.0722 59.2126 32.3312 178.5627 30 K 4.1572 8.4585 119.6055 59.6813 32.8097 179.2114 31 L 4.0141 8.3040 120.3714 56.9300 41.2344 178.4227 32 V 4.2123 7.4459 116.0087 62.9899 31.5839 176.1297 33 G 3.9688 7.6011 105.4524 45.9897 0.0000 173.6928 34 E 4.8011 7.2057 113.2719 55.5580 31.7189 175.7676 35 R 4.2314 8.3941 119.9612 55.6715 29.6686 176.5601 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 L 8.18 4.28 0.00 1.65 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.65 3.65 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 3 R 8.36 3.85 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 4 M 8.47 4.54 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 5 K 7.53 5.27 0.00 1.84 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.14 7.81 6 Q 7.23 4.26 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 7 L 7.76 4.16 0.00 1.78 1.82 0.98 0.82 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 8 E 8.16 3.93 0.00 2.24 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 0.00 2.37 2.59 0.00 9 D 8.19 4.25 0.00 2.90 2.70 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 10 K 7.84 3.90 0.00 1.79 1.98 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 11 V 8.41 3.72 2.16 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 0.94 0.00 0.00 0.98 0.00 0.00 12 E 8.91 3.93 0.00 2.10 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 2.33 2.37 0.00 13 E 8.37 4.02 0.00 2.36 2.01 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 2.34 2.38 0.00 14 L 7.68 4.07 0.00 1.78 1.69 0.92 1.01 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 15 L 7.91 4.06 0.00 1.80 1.93 0.97 0.83 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 16 S 7.86 4.20 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.30 0.00 1.77 2.03 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.47 7.81 18 N 8.82 4.27 0.00 2.89 2.83 0.00 0.00 6.92 7.41 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 19 Y 8.43 4.28 0.00 3.10 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 20 H 8.27 4.45 0.00 3.32 3.45 0.00 5.92 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.12 3.95 0.00 1.90 1.87 0.94 0.92 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 22 E 8.06 3.97 0.00 2.09 2.03 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 2.35 2.38 0.00 23 N 7.72 4.32 0.00 3.04 2.80 0.00 0.00 6.58 7.53 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 24 E 7.77 3.83 0.00 2.03 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 2.29 2.27 0.00 25 V 7.74 3.42 2.23 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 0.93 0.00 0.00 1.01 0.00 0.00 26 A 8.07 3.95 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 27 R 8.12 3.84 0.00 1.87 2.01 0.00 3.13 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 28 L 8.76 3.91 0.00 1.69 1.98 0.92 -0.35 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 29 K 8.35 3.99 0.00 1.93 1.83 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 30 K 8.46 4.16 0.00 2.05 2.11 0.00 1.25 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.70 7.81 31 L 8.30 4.01 0.00 1.92 1.76 0.92 0.63 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 32 V 7.45 4.21 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 0.81 0.00 0.00 0.97 0.00 0.00 33 G 7.60 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.21 4.80 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 35 R 8.39 4.23 0.00 1.92 2.00 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00