NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2671 8.3049 120.3168 55.3662 33.1564 175.0280 2 M 3.1612 7.5156 115.9782 52.9822 32.1554 175.6235 3 I 3.5134 7.2911 114.0754 59.4204 39.5350 173.5753 4 P 4.3178 0.0000 0.0000 61.8098 31.6898 175.9793 5 I 3.4981 8.1145 124.0177 61.7075 38.5076 171.2978 6 R 4.5698 8.5984 133.3739 55.0967 29.6330 175.7868 7 C 3.8610 8.2592 123.0082 59.1391 32.3124 173.7625 8 F 4.3699 8.2922 126.3094 61.2370 37.9953 176.5041 9 T 3.8669 7.3353 115.8345 66.7639 68.8647 174.7141 10 C 4.2936 8.0440 119.4356 59.9974 42.5019 174.9235 11 G 3.7087 7.3938 105.2619 44.6278 0.0000 174.2259 12 S 4.3150 7.9081 114.9865 57.5740 63.9021 173.2457 13 L 4.3612 8.2406 121.7207 54.7737 42.2441 176.8319 14 I 4.1761 8.2975 123.4810 62.5081 39.3124 177.7798 15 A 3.9869 7.9440 123.0405 55.1772 18.2682 178.5352 16 D 4.6472 8.0849 112.3071 54.7956 39.6387 176.7208 17 K 4.5807 7.7767 118.1136 56.1218 33.1686 177.5318 18 W 4.4560 8.4169 131.1619 60.9236 30.5120 177.8919 19 Q 3.5837 8.3006 117.5607 58.8894 28.0042 177.9689 20 P 4.3937 0.0000 0.0000 65.7588 31.8222 176.8790 21 F 4.2102 8.3873 122.5452 59.5782 38.9185 176.2144 22 I 3.3446 7.7951 113.7270 64.6395 37.2537 178.3586 23 T 3.7540 7.0375 115.1152 66.1338 68.0760 176.4943 24 R 4.0737 8.0499 119.6876 58.1038 29.7704 178.9198 25 V 3.4768 7.2610 117.9817 65.0898 31.8615 176.1545 26 N 5.1654 8.1324 116.2302 52.8617 38.2321 175.4644 27 A 4.4858 8.0858 118.5923 53.2058 23.6738 176.4825 28 G 3.4343 6.6611 103.7851 45.1037 0.0000 172.9787 29 E 4.6216 7.1509 120.3777 53.3125 32.0486 175.8096 30 N 4.3947 8.4711 121.7926 53.1644 38.8089 173.9361 31 P 4.4947 0.0000 0.0000 64.4908 31.4657 178.6727 32 G 3.8622 8.2339 106.0583 47.7726 0.0000 175.8864 33 K 4.1584 8.0042 120.5439 59.0652 32.2364 179.1730 34 V 3.5793 7.5308 118.5935 66.5200 29.7806 178.1894 35 L 4.1728 7.6674 117.6371 57.5682 41.1904 179.0964 36 D 4.4798 7.8318 118.4697 57.6317 40.9070 178.1456 37 D 4.4937 8.0119 116.3605 55.9108 41.5556 176.3352 38 L 4.3944 7.3319 118.6432 53.8883 42.4565 177.0905 39 G 3.7987 8.3358 107.7049 45.7325 0.0000 174.3632 40 V 4.1022 6.9689 119.7607 60.8455 33.0537 174.6087 41 K 3.8925 9.0384 130.0413 58.1895 30.6419 179.1710 42 R 4.5094 8.8447 122.5579 55.7970 32.4231 176.9527 43 Y 4.4158 8.8625 118.0851 58.8132 37.4104 177.9839 44 C 3.8999 7.8099 117.5856 61.4704 30.2134 174.7051 45 C 4.3217 7.8024 116.1749 57.0390 34.7051 175.1533 46 R 4.0411 7.4317 121.4397 59.1145 29.6024 177.8533 47 R 3.8633 7.4519 117.5226 59.8346 29.6476 177.7950 48 M 3.8469 7.8614 117.2041 58.4540 32.2509 178.1265 49 L 4.1640 7.4842 117.8367 57.3741 42.0197 179.0693 50 L 4.2792 7.5389 117.2056 57.1398 41.5730 178.1973 51 S 4.7018 7.3659 109.2649 57.9933 63.4249 173.5715 52 H 4.5667 8.5287 121.2452 56.4874 30.3694 174.6841 53 I 4.3093 6.9133 119.7257 61.6540 41.0652 174.4727 54 D 4.0808 7.4792 118.5488 54.8636 38.1478 173.6481 55 I 4.1662 7.2219 111.0824 61.2827 38.1792 178.1156 56 I 3.9812 7.5676 122.3074 62.6861 38.0085 177.1677 57 S 4.4178 7.9461 112.9359 60.2040 63.6826 175.3561 58 E 4.3938 7.8978 119.4935 57.4605 29.5755 177.4293 59 V 4.2295 7.5282 115.7230 62.9874 32.6942 176.7938 60 I 3.8954 7.1370 118.1710 64.3408 38.5675 176.5162 61 H 4.6418 7.7759 114.2058 55.8135 28.4145 174.8043 62 Y 4.5369 7.4121 116.1527 60.9614 42.2972 177.2778 63 T 3.3548 8.0778 114.2050 64.4972 66.7292 171.9894 64 R 4.1724 8.5303 130.8386 57.7408 30.1117 174.0581 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 8.30 4.27 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 M 7.52 3.16 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 3 I 7.29 3.51 1.58 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.25 0.15 0.00 0.00 4 P 0.00 4.32 0.00 1.85 2.11 0.00 3.49 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 5 I 8.11 3.50 1.82 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 1.37 0.76 0.87 0.00 0.00 6 R 8.60 4.57 0.00 1.95 1.90 0.00 3.30 0.00 0.00 3.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 7 C 8.26 3.86 0.00 2.81 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 8 F 8.29 4.37 0.00 3.07 2.96 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 0.00 0.00 0.00 9 T 7.34 3.87 4.18 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 0.00 0.00 1.14 0.00 0.00 10 C 8.04 4.29 0.00 3.04 3.16 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 11 G 7.39 3.71 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 0.00 0.00 0.00 12 S 7.91 4.32 0.00 3.98 3.98 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 13 L 8.24 4.36 0.00 1.62 1.63 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.30 4.18 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.75 0.00 0.00 15 A 7.94 3.99 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 16 D 8.08 4.65 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.58 0.00 1.92 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.34 7.81 18 W 8.42 4.46 0.00 3.29 3.26 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 19 Q 8.30 3.58 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 20 P 0.00 4.39 0.00 2.24 2.18 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 21 F 8.39 4.21 0.00 3.30 3.08 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 0.00 0.00 0.00 22 I 7.80 3.34 1.61 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.13 1.15 0.00 0.00 23 T 7.04 3.75 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 1.11 0.00 0.00 24 R 8.05 4.07 0.00 1.92 1.86 0.00 3.08 0.00 0.00 3.06 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 25 V 7.26 3.48 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.08 0.00 0.00 26 N 8.13 5.17 0.00 2.72 2.74 0.00 0.00 6.75 7.84 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 27 A 8.09 4.49 1.23 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 0.00 0.00 0.00 28 G 6.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.15 4.62 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 30 N 8.47 4.39 0.00 2.79 2.69 0.00 0.00 6.72 7.71 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 31 P 0.00 4.49 0.00 2.50 2.15 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 32 G 8.23 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.00 4.16 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.50 7.81 34 V 7.53 3.58 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 1.13 0.00 0.00 0.97 0.00 0.00 35 L 7.67 4.17 0.00 1.89 1.74 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.83 4.48 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.49 0.00 2.67 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 38 L 7.33 4.39 0.00 1.76 1.62 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.34 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 6.97 4.10 2.25 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 0.82 0.00 0.00 0.90 0.00 0.00 41 K 9.04 3.89 0.00 1.78 1.57 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.39 7.81 42 R 8.84 4.51 0.00 1.84 1.84 0.00 3.15 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 43 Y 8.86 4.42 0.00 3.28 3.18 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 0.00 0.00 0.00 44 C 7.81 3.90 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.80 4.32 0.00 2.91 3.09 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 46 R 7.43 4.04 0.00 2.03 1.84 0.00 3.21 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 47 R 7.45 3.86 0.00 2.06 2.09 0.00 3.23 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 48 M 7.86 3.85 0.00 1.83 2.19 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 49 L 7.48 4.16 0.00 0.91 1.16 0.60 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.54 4.28 0.00 1.79 1.86 0.98 0.97 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 51 S 7.37 4.70 0.00 3.99 3.95 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 52 H 8.53 4.57 0.00 3.18 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 6.91 4.31 1.78 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 1.31 0.79 0.87 0.00 0.00 54 D 7.48 4.08 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.22 4.17 1.85 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 1.30 0.59 0.89 0.00 0.00 56 I 7.57 3.98 1.91 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 1.37 1.33 0.97 0.00 0.00 57 S 7.95 4.42 0.00 4.10 4.06 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 58 E 7.90 4.39 0.00 2.10 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 0.00 2.39 2.36 0.00 59 V 7.53 4.23 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 0.83 0.00 0.00 0.96 0.00 0.00 60 I 7.14 3.90 2.18 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 1.04 0.00 0.00 61 H 7.78 4.64 0.00 3.06 3.26 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.41 4.54 0.00 3.13 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 63 T 8.08 3.35 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 64 R 8.53 4.17 0.00 1.73 1.73 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00