NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3870 8.3344 115.2898 58.6218 63.4890 172.5050 3 I 4.4596 7.1504 119.7224 56.9326 41.2696 173.4664 4 S 4.0967 9.0639 121.3338 60.9217 63.9159 173.9505 5 A 3.9405 8.0175 123.4098 52.7004 17.9636 177.3708 6 R 4.0439 8.5944 121.8316 58.1545 30.9069 176.3085 7 N 4.8059 7.8409 115.5884 51.8731 39.9638 174.4708 8 Q 4.8958 8.6546 122.9967 54.1562 32.0154 175.2671 9 L 4.6628 8.9640 125.9261 52.4681 44.0594 176.5510 10 K 4.5264 8.7430 124.2701 56.6872 33.0348 176.7004 11 G 4.1243 9.4131 110.3871 45.6724 0.0000 171.3607 12 K 5.1028 8.5017 120.9996 54.0619 35.1218 175.3100 13 V 4.1794 8.8504 128.1536 63.4035 32.1007 176.3234 14 V 4.3848 8.5217 120.5205 60.8970 33.0292 175.9374 15 G 4.1712 7.7131 105.5492 45.4046 0.0000 172.5273 16 L 5.1612 8.3928 124.6201 53.3627 45.5763 174.7029 17 K 4.5420 9.1633 126.9830 54.6650 35.3967 174.6625 18 K 4.6197 8.8599 127.3606 55.2550 33.2034 176.6126 19 G 4.0741 8.2658 117.0927 44.4864 0.0000 172.6977 20 V 3.7574 8.4571 118.0288 65.2680 32.0826 177.7358 21 V 4.3364 7.8605 118.3476 63.6297 34.0804 175.3942 22 T 5.2034 7.7900 108.7097 59.9761 72.3236 172.9803 23 A 5.1159 8.8821 122.2464 50.4246 23.2657 174.5725 24 E 5.0793 9.0383 121.8937 54.4248 32.0659 174.7795 25 V 4.7853 8.9198 127.1938 61.0299 34.5953 174.0438 26 V 4.8183 8.7985 127.9162 61.1527 33.8400 174.1147 27 L 5.1919 9.0643 127.9446 52.9279 45.2294 174.9217 28 E 4.9627 9.1523 124.3953 54.9524 31.3069 175.1161 29 I 4.8463 8.1837 122.5010 58.7925 40.1018 174.3303 30 A 3.8935 8.3928 122.1048 54.4559 18.4510 178.7839 31 G 3.9005 9.0997 109.2753 45.6619 0.0000 174.6423 32 G 3.9336 7.8760 107.5993 44.8038 0.0000 173.9366 33 N 4.6439 7.6296 116.1512 53.3264 39.9257 174.0686 34 K 5.1170 8.4723 119.0526 54.7678 35.8036 175.6976 35 I 4.5930 8.9234 124.6733 59.7824 40.2908 174.5399 36 T 5.0636 8.5430 122.4367 61.7649 71.0332 173.4342 37 S 4.7111 9.1899 120.8017 56.4443 65.6795 172.4681 38 I 5.0137 8.5050 127.6724 59.7571 38.8737 174.5128 39 I 4.8134 8.4150 120.6631 58.4223 41.5031 175.0079 40 S 4.6200 8.4416 115.8360 57.8152 63.7116 174.9810 41 L 3.9666 8.8070 124.5406 58.5050 41.7439 179.2304 42 D 4.3800 8.1011 118.4251 57.5566 40.7781 178.8414 43 S 4.1423 7.9457 115.4214 61.4404 62.7939 176.7591 44 V 3.6047 7.7773 120.5477 66.1968 31.0481 177.8263 45 E 4.0502 7.7993 117.3864 59.1026 29.3766 178.5951 46 E 4.2488 7.9794 117.7129 58.0354 29.7738 177.8731 47 L 4.5172 7.8884 116.8907 52.9942 43.1297 176.6766 48 G 3.8976 7.8658 106.5242 46.4603 0.0000 174.3915 49 V 3.9578 7.8337 116.6875 62.0476 32.8937 175.1716 50 K 4.6183 8.1953 124.6707 54.5551 36.1361 174.8911 51 E 4.1242 8.5666 121.9014 58.1150 29.8759 177.0035 52 G 4.0142 9.2256 114.1328 45.2073 0.0000 173.9250 53 A 4.1170 7.7459 121.7843 52.3081 19.6426 176.4645 54 E 4.8234 8.6777 121.1134 55.3795 30.7517 175.4838 55 L 4.9503 9.3341 123.9932 53.3931 47.0419 175.1823 56 T 5.0396 8.3749 115.3746 61.8880 71.1788 174.0338 57 A 4.4529 9.0044 128.8923 51.2358 20.2969 176.2449 58 V 4.9465 8.3137 121.3368 61.0868 34.1987 174.9198 59 V 4.5168 8.6179 126.3075 60.8870 35.2894 174.5260 60 K 4.2080 8.6615 128.2676 56.0986 33.2642 177.8400 61 S 4.1465 8.7275 121.4106 61.9217 62.9200 176.3547 62 T 4.1100 7.8759 107.8061 63.2816 68.5790 174.2401 63 D 4.6717 7.9795 121.3244 54.1055 41.4645 176.0388 64 V 4.1024 7.5240 120.3892 61.6788 32.1800 175.2589 65 M 4.5567 8.3906 126.6043 54.0140 33.7715 175.2494 66 I 4.4828 8.0507 120.8219 59.3311 39.8048 175.0044 67 L 4.5880 8.4961 125.7585 53.1524 44.0942 175.8853 68 A 4.3223 8.6106 127.6601 52.3115 19.1519 176.2501 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 2 S 8.33 4.39 0.00 3.85 3.89 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 0.00 0.00 0.00 3 I 7.15 4.46 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 1.47 1.19 0.91 0.00 0.00 4 S 9.06 4.10 0.00 4.01 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 5 A 8.02 3.94 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.59 4.04 0.00 1.82 2.00 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 7 N 7.84 4.81 0.00 2.81 2.76 0.00 0.00 6.58 7.65 0.00 0.00 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 Q 8.65 4.90 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 9 L 8.96 4.66 0.00 1.52 1.57 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.74 4.53 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.41 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.50 5.10 0.00 1.83 1.63 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.61 7.81 13 V 8.85 4.18 2.20 0.00 0.00 0.00 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 0.99 0.00 0.00 14 V 8.52 4.38 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 0.77 0.00 0.00 1.00 0.00 0.00 15 G 7.71 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 5.16 0.00 1.59 1.50 0.97 0.51 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 17 K 9.16 4.54 0.00 1.82 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.86 4.62 0.00 1.67 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.27 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.46 3.76 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 0.79 0.00 0.00 0.93 0.00 0.00 21 V 7.86 4.34 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.79 5.20 4.24 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 1.21 0.00 0.00 23 A 8.88 5.12 1.21 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 0.00 0.00 24 E 9.04 5.08 0.00 2.05 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 2.21 2.22 0.00 25 V 8.92 4.79 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 0.97 0.00 0.00 0.93 0.00 0.00 26 V 8.80 4.82 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 1.00 0.00 0.00 0.93 0.00 0.00 27 L 9.06 5.19 0.00 1.57 1.51 0.92 0.54 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 28 E 9.15 4.96 0.00 2.01 1.81 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 2.22 2.23 0.00 29 I 8.18 4.85 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 1.23 1.05 0.96 0.00 0.00 30 A 8.39 3.89 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.10 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 0.00 0.00 0.00 32 G 7.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.63 4.64 0.00 2.70 2.75 0.00 0.00 6.71 7.60 0.00 0.00 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 K 8.47 5.12 0.00 1.58 1.66 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.92 4.59 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 1.23 0.99 0.91 0.00 0.00 36 T 8.54 5.06 4.24 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 1.21 0.00 0.00 37 S 9.19 4.71 0.00 3.83 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 5.01 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 1.40 0.64 0.91 0.00 0.00 39 I 8.41 4.81 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 1.28 0.71 0.91 0.00 0.00 40 S 8.44 4.62 0.00 4.02 4.03 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 0.00 0.00 0.00 41 L 8.81 3.97 0.00 1.76 1.77 0.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.10 4.38 0.00 2.72 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 43 S 7.95 4.14 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.60 2.24 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 1.07 0.00 0.00 0.93 0.00 0.00 45 E 7.80 4.05 0.00 2.08 1.99 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 2.57 2.49 0.00 46 E 7.98 4.25 0.00 1.96 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 47 L 7.89 4.52 0.00 1.62 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.87 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 0.00 0.00 0.00 49 V 7.83 3.96 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 0.80 0.00 0.00 0.97 0.00 0.00 50 K 8.20 4.62 0.00 1.80 1.62 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.42 7.81 51 E 8.57 4.12 0.00 1.92 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 2.30 2.47 0.00 52 G 9.23 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 53 A 7.75 4.12 1.29 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 0.00 0.00 0.00 54 E 8.68 4.82 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 55 L 9.33 4.95 0.00 1.48 1.52 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.37 5.04 4.24 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 1.25 0.00 0.00 57 A 9.00 4.45 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 58 V 8.31 4.95 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 0.82 0.00 0.00 0.93 0.00 0.00 59 V 8.62 4.52 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.66 4.21 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.73 4.15 0.00 3.92 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 62 T 7.88 4.11 4.24 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 1.21 0.00 0.00 63 D 7.98 4.67 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.52 4.10 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 0.77 0.00 0.00 0.98 0.00 0.00 65 M 8.39 4.56 0.00 2.04 1.96 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 2.54 2.54 0.00 66 I 8.05 4.48 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 1.30 0.87 0.91 0.00 0.00 67 L 8.50 4.59 0.00 1.53 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.61 4.32 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