NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6612 8.2076 120.5246 54.6367 43.0882 177.4720 2 Y 3.9948 8.2890 117.0705 59.7598 37.8876 176.5777 3 L 3.8317 7.6024 121.7152 57.5225 42.2362 180.5721 4 R 3.9307 7.7064 117.5080 59.1933 30.0045 178.7770 5 E 4.0354 8.5024 118.7397 59.1754 29.3779 179.3151 6 L 3.9921 7.6360 119.2475 57.5981 41.7677 179.1290 7 L 3.9405 7.8891 119.7264 58.3131 42.0561 179.0834 8 K 4.0252 8.0367 118.2234 59.4422 31.9485 179.3545 9 L 4.0638 7.9953 119.3511 57.7691 41.4817 179.4257 10 E 4.0342 8.2465 118.7156 59.0879 29.3673 178.9964 11 L 3.9282 7.8623 120.2846 58.2523 42.1496 178.7645 12 Q 3.9486 8.1278 119.2181 59.2819 28.8936 178.2295 13 A 4.0845 8.1982 121.6956 55.2433 18.4051 179.7364 14 I 3.8206 7.9581 118.4691 64.1961 37.1609 178.6356 15 K 3.9391 8.2167 119.4695 59.8009 31.9167 179.4251 16 Q 3.9719 8.2527 118.1739 59.1494 28.6021 178.4211 17 Y 4.0016 8.4145 118.2743 60.7830 37.6466 178.2604 18 R 3.9053 7.9427 119.0142 59.4474 30.4980 177.8326 19 E 4.0306 8.4148 118.8956 59.3509 29.5743 178.7106 20 A 4.3432 8.2487 120.8017 55.0959 18.0222 179.5075 21 L 4.3792 8.0344 118.6612 56.9390 41.4014 179.1389 22 E 3.7856 7.8394 119.1027 59.1943 29.5394 178.0580 23 Y 4.3595 7.5119 116.3334 59.5252 38.2822 176.9087 24 V 4.2985 7.0776 118.4079 60.7888 34.8631 174.6453 25 K 4.5175 8.5277 127.8283 55.7222 30.5058 177.2241 26 L 4.2500 7.5404 120.4110 53.6952 43.0497 176.6785 27 P 4.2510 0.0000 0.0000 66.0046 31.2205 178.9655 28 V 3.6396 7.7698 117.1242 64.8227 31.2669 178.3289 29 L 4.0651 8.0234 119.4569 57.3656 41.4130 179.2915 30 A 3.9573 7.8997 120.5181 54.9174 18.4696 179.4354 31 K 3.8234 8.1734 118.2388 59.5157 32.2807 179.1080 32 I 3.4081 7.6995 120.1139 64.2576 36.9503 177.9298 33 L 3.7240 7.6734 121.0771 58.3841 41.7891 178.9560 34 E 4.0356 8.0254 118.2900 59.3649 29.3179 179.0793 35 D 4.0563 7.6178 118.4734 57.2788 40.8701 178.5903 36 E 3.7854 7.8570 118.9886 59.3752 29.5040 179.3245 37 E 3.8678 8.1520 118.6530 59.0489 29.4160 179.2398 38 K 3.4230 7.7265 119.5740 59.6096 32.0725 178.3571 39 H 3.9856 7.8275 116.7360 59.0955 28.5856 177.6493 40 I 3.7414 7.7380 120.0727 63.5948 37.6697 177.5676 41 E 3.9211 7.9818 120.3214 58.9755 29.4861 178.7727 42 W 4.4450 8.2135 119.1202 59.9311 29.1789 178.5246 43 L 4.0560 8.4028 119.1699 57.8388 40.9450 179.2275 44 E 3.9756 8.6167 119.6224 59.4581 29.3232 178.8510 45 T 3.9198 8.0867 115.3125 66.9383 68.6745 176.3151 46 I 3.9808 7.7497 119.8285 63.0119 37.2873 177.2610 47 L 4.7485 7.9578 117.2357 54.2907 43.3709 176.6229 48 G 4.0889 8.5833 112.4821 44.9378 0.0000 173.5117 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 D 8.21 4.66 0.00 2.81 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 2 Y 8.29 3.99 0.00 3.23 3.06 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 0.00 0.00 0.00 3 L 7.60 3.83 0.00 1.37 1.51 0.71 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.71 3.93 0.00 1.95 1.96 0.00 3.12 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 5 E 8.50 4.04 0.00 2.16 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 2.53 2.54 0.00 6 L 7.64 3.99 0.00 1.81 1.73 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.89 3.94 0.00 1.75 1.87 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.04 4.03 0.00 1.88 1.85 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.79 7.81 9 L 8.00 4.06 0.00 1.92 1.75 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.25 4.03 0.00 2.15 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 2.57 2.50 0.00 11 L 7.86 3.93 0.00 1.80 1.82 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.13 3.95 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 13 A 8.20 4.08 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.96 3.82 2.04 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 1.50 0.73 0.92 0.00 0.00 15 K 8.22 3.94 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 16 Q 8.25 3.97 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 17 Y 8.41 4.00 0.00 3.17 2.98 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 18 R 7.94 3.91 0.00 1.86 2.21 0.00 3.31 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 1.65 1.69 0.00 19 E 8.41 4.03 0.00 2.09 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 0.00 2.51 2.36 0.00 20 A 8.25 4.34 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 21 L 8.03 4.38 0.00 1.95 1.76 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.84 3.79 0.00 1.90 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 2.19 2.22 0.00 23 Y 7.51 4.36 0.00 3.17 2.99 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 24 V 7.08 4.30 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 0.76 0.00 0.00 0.96 0.00 0.00 25 K 8.53 4.52 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.41 7.81 26 L 7.54 4.25 0.00 1.74 1.62 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.15 2.13 0.00 3.61 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 28 V 7.77 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 29 L 8.02 4.07 0.00 1.93 1.92 1.00 0.96 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 30 A 7.90 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.17 3.82 0.00 1.80 1.90 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 32 I 7.70 3.41 1.27 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 1.25 0.70 -0.08 0.00 0.00 33 L 7.67 3.72 0.00 1.73 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.03 4.04 0.00 2.08 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 2.45 2.43 0.00 35 D 7.62 4.06 0.00 2.64 2.39 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 36 E 7.86 3.79 0.00 1.98 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 2.24 2.44 0.00 37 E 8.15 3.87 0.00 2.02 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 2.27 2.36 0.00 38 K 7.73 3.42 0.00 1.52 1.46 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.47 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.69 7.81 39 H 7.83 3.99 0.00 3.35 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.74 3.74 1.85 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 1.41 1.63 0.95 0.00 0.00 41 E 7.98 3.92 0.00 2.14 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 2.37 2.36 0.00 42 W 8.21 4.45 0.00 3.59 3.10 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 0.00 0.00 0.00 0.00 43 L 8.40 4.06 0.00 1.73 1.75 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.62 3.98 0.00 2.07 2.18 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 2.32 2.41 0.00 45 T 8.09 3.92 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.75 3.98 1.88 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 1.50 0.56 0.89 0.00 0.00 47 L 7.96 4.75 0.00 1.58 1.64 0.88 0.62 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 48 G 8.58 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00