NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3055 8.1133 120.8599 56.6444 32.1535 177.4429 2 M 3.8788 8.0175 117.2715 57.4817 31.7807 177.1040 3 K 4.2158 8.6798 122.0688 58.9352 32.8006 178.2618 4 Q 3.9769 8.0834 117.8648 59.1709 28.6870 178.8940 5 I 3.6879 7.8168 120.4710 64.6605 36.7175 178.5023 6 E 4.0566 8.6199 119.5516 59.0996 29.3030 179.2232 7 D 4.3510 8.4899 119.6155 57.4935 40.9820 178.8916 8 K 4.0006 8.3239 119.0529 59.4777 31.9393 179.5748 9 I 3.7260 7.7251 120.2570 64.2578 36.9569 178.1908 10 E 4.2176 7.9778 120.5494 59.0876 29.3538 179.3492 11 E 3.9707 8.0606 118.0606 59.4743 29.4825 179.5891 12 I 3.7910 7.9885 119.9920 64.3034 36.9036 178.2980 13 E 4.0135 8.6626 119.9886 59.4352 29.1577 179.6623 14 S 4.2107 8.3117 115.3882 61.5896 62.9628 176.9088 15 K 3.9722 8.1202 121.1904 59.3248 31.7230 179.2710 16 Q 3.9815 8.2075 120.1639 58.7326 28.9619 178.0644 17 K 3.9138 7.9897 120.8417 59.3816 32.3243 178.6909 18 K 3.9362 8.2672 120.1099 59.5084 32.0795 178.7589 19 I 3.6982 7.8541 119.9767 64.4821 37.1668 178.0820 20 E 3.9730 8.2271 119.3136 59.7302 29.0977 179.3702 21 N 4.3644 8.2533 116.3195 56.2802 38.5188 177.1853 22 E 3.9592 8.3684 120.7314 59.0828 29.6344 179.0026 23 I 3.6898 7.9847 120.0012 64.2602 37.0428 178.1674 24 A 4.1231 7.9598 121.3102 54.9817 18.0585 180.0353 25 R 3.9215 7.6318 116.6450 59.3929 30.2377 178.9246 26 I 3.7000 7.9190 119.7848 64.5714 37.2364 178.5999 27 K 3.9566 8.4862 119.5311 59.3154 31.9456 179.3576 28 K 3.9876 7.7572 120.0294 59.3945 32.0278 178.9682 29 L 4.0314 8.1359 119.4277 57.6026 41.5179 179.4310 30 L 4.0729 8.1546 120.5854 57.5250 41.6041 179.5186 31 Q 4.1563 8.0067 117.5689 58.9519 28.4842 179.2665 32 L 4.0439 7.8362 119.8682 57.9682 41.4154 179.5467 33 T 3.9353 8.2245 110.0377 65.0429 68.6153 176.5539 34 V 3.6106 8.5051 121.6138 65.2010 31.4045 177.8580 35 W 4.1423 8.2003 128.0837 60.1105 30.6814 178.3436 36 G 3.5500 8.7121 106.0538 47.8605 0.0000 175.7072 37 I 3.6651 8.1124 122.9820 64.0770 37.1887 178.7497 38 K 3.8393 7.6940 118.8366 59.4398 31.6920 179.4634 39 Q 3.6585 7.3372 118.4011 58.5958 28.3589 178.7528 40 L 3.9487 7.5833 119.7727 57.6578 41.8761 179.4368 41 Q 3.5313 8.3192 117.7006 58.9499 28.1776 178.5904 42 A 3.8778 7.5715 121.9564 55.1654 18.5487 179.5735 43 R 3.9558 7.5950 114.7049 60.2727 30.3432 178.4174 44 I 3.1184 8.4358 115.5187 64.5834 37.9327 175.9939 45 L 4.3374 7.7820 127.5378 55.2644 42.4264 176.6416 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 R 8.11 4.31 0.00 1.86 1.98 0.00 3.16 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 M 8.02 3.88 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 3 K 8.68 4.22 0.00 1.86 1.80 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.36 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.45 7.81 4 Q 8.08 3.98 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 7.82 3.69 2.05 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 0.69 0.91 0.00 0.00 6 E 8.62 4.06 0.00 2.09 2.00 0.00 0.00 0.00 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 2.47 0.00 7 D 8.49 4.35 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.00 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 9 I 7.73 3.73 2.02 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 0.84 0.91 0.00 0.00 10 E 7.98 4.22 0.00 2.22 2.00 0.00 0.00 0.00 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 2.21 0.00 11 E 8.06 3.97 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 12 I 7.99 3.79 2.00 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 1.06 0.91 0.00 0.00 13 E 8.66 4.01 0.00 2.20 2.00 0.00 0.00 0.00 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 2.46 0.00 14 S 8.31 4.21 0.00 4.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.12 3.97 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 16 Q 8.21 3.98 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.36 0.00 17 K 7.99 3.91 0.00 1.88 1.97 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 18 K 8.27 3.94 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 19 I 7.85 3.70 2.02 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 0.69 0.91 0.00 0.00 20 E 8.23 3.97 0.00 2.22 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 2.33 2.46 0.00 21 N 8.25 4.36 0.00 2.89 2.86 0.00 0.00 6.69 7.06 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 22 E 8.37 3.96 0.00 2.18 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 0.00 2.30 2.39 0.00 23 I 7.98 3.69 2.04 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 1.46 0.66 0.91 0.00 0.00 24 A 7.96 4.12 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 R 7.63 3.92 0.00 1.98 2.07 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 26 I 7.92 3.70 2.01 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 1.05 0.92 0.00 0.00 27 K 8.49 3.96 0.00 1.92 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.63 7.81 28 K 7.76 3.99 0.00 1.95 1.95 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.50 7.81 29 L 8.14 4.03 0.00 1.92 1.71 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.15 4.07 0.00 1.97 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.01 4.16 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 32 L 7.84 4.04 0.00 1.97 1.74 0.88 0.27 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 33 T 8.22 3.94 4.29 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 1.31 0.00 0.00 34 V 8.51 3.61 2.28 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 1.01 0.00 0.00 1.05 0.00 0.00 35 W 8.20 4.14 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.11 3.67 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.88 0.00 0.00 38 K 7.69 3.84 0.00 1.68 1.71 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.64 7.81 39 Q 7.34 3.66 0.00 1.69 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.58 3.95 0.00 1.77 1.65 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.32 3.53 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 42 A 7.57 3.88 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 43 R 7.59 3.96 0.00 1.84 1.96 0.00 3.15 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 44 I 8.44 3.12 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 0.89 0.00 0.00 45 L 7.78 4.34 0.00 1.58 1.47 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00