NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3138 8.2629 120.3415 54.7028 32.4287 175.1942 2 K 3.8870 8.2492 128.2705 55.3311 32.5458 173.3774 3 G 4.0103 8.9387 111.0017 44.8290 0.0000 174.6289 4 M 3.7409 7.8388 122.5379 59.5432 32.4231 178.9373 5 S 4.0529 8.4213 115.4732 61.7941 62.1979 177.7665 6 K 4.4097 7.6413 118.6691 54.5603 31.8420 178.7452 7 M 4.2769 7.6160 119.3511 55.0926 32.4009 174.6777 8 P 4.3821 0.0000 0.0000 63.1707 31.7915 175.3606 9 Q 4.7078 8.3354 116.6259 54.3054 31.3118 174.9592 10 V 4.4162 8.0464 118.1936 61.1901 34.5839 174.2889 11 N 4.7802 8.6471 123.7105 51.6503 40.0791 174.1968 12 L 4.5714 7.9639 123.5228 53.6154 44.1665 176.7770 13 R 4.4252 8.0516 121.8774 54.7449 31.5682 174.2159 14 W 5.0879 8.0596 121.5384 53.3388 32.7474 174.5146 15 P 4.5343 0.0000 0.0000 63.1019 32.5869 178.3486 16 R 4.0114 8.7156 123.7213 61.7044 29.3214 178.5482 17 E 4.1701 8.2100 118.1214 59.3018 29.3899 179.3065 18 V 3.5618 7.7647 118.8377 65.6413 31.6732 177.6007 19 L 4.1354 8.3803 119.0706 58.2629 41.5061 179.4057 20 D 4.3638 8.6447 118.9998 57.0522 40.6868 178.7081 21 L 3.9627 7.8800 121.0911 57.9859 42.1559 178.8914 22 V 3.6296 8.0707 118.4624 66.3430 31.5124 178.1247 23 R 4.0294 8.4069 120.2043 59.7806 29.8993 179.8866 24 K 3.9827 8.0677 123.3456 59.9543 31.7300 181.3163 25 V 3.8374 8.4305 120.0904 65.4456 31.3942 177.9882 26 A 4.3223 8.6244 124.9349 55.2368 18.2693 180.0674 27 E 4.0032 8.2615 119.1293 61.8372 29.5796 181.2681 28 E 4.2293 7.8942 118.4113 61.2872 29.8919 180.4273 29 N 4.8869 8.2056 113.8516 52.6341 38.6601 175.3694 30 G 3.9120 8.0707 108.3748 46.8293 0.0000 173.6449 31 R 4.6981 7.9505 117.1907 53.3788 33.8546 175.9910 32 S 4.6048 8.1223 113.7565 57.4493 65.8198 175.1230 33 V 3.5461 8.2285 121.6575 66.3133 31.0729 177.1888 34 N 4.2143 8.2228 116.0752 57.3473 38.6635 176.7810 35 S 4.2594 8.2193 116.1092 61.4329 62.9779 176.4161 36 E 3.9563 8.4933 122.2793 59.4872 29.4353 179.0715 37 I 3.9526 7.9880 119.8485 64.4544 37.1007 177.7528 38 Y 4.1401 8.4619 120.9006 60.7983 38.5511 178.2619 39 Q 3.8833 8.8380 119.3904 59.0450 28.9701 178.9211 40 R 3.8830 7.9015 118.6828 58.9231 30.0313 179.4189 41 V 3.2998 7.7689 118.1093 66.1759 31.5153 177.7689 42 M 4.0262 7.7553 118.6006 58.6778 31.5791 178.5116 43 E 3.9178 8.0413 118.1910 59.0109 30.0673 178.7586 44 S 4.1884 7.6715 114.1275 61.3311 63.1567 176.4438 45 F 4.4435 7.8072 121.6550 60.2484 38.5865 177.3894 46 K 3.9458 8.4954 119.4761 59.7276 31.6548 178.8481 47 K 4.0739 7.8044 117.6169 58.9020 32.1032 178.4229 48 E 4.2993 8.0780 116.9361 56.6673 29.7791 177.6800 49 G 3.9974 7.7620 107.7049 45.3871 0.0000 174.6636 50 R 4.1530 7.7694 117.2682 57.6798 30.4169 176.6838 51 I 4.5909 7.6029 118.7599 61.1632 38.1360 175.5848 52 G 4.0501 7.9091 105.9632 44.9249 0.0000 174.4874 53 A 4.0747 7.7402 128.2863 52.6729 19.0422 177.1898 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 8.26 4.31 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 2 K 8.25 3.89 0.00 1.90 1.59 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3 G 8.94 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 4 M 7.84 3.74 0.00 1.94 2.24 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 2.62 0.00 5 S 8.42 4.05 0.00 3.67 3.79 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 6 K 7.64 4.41 0.00 1.81 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.35 1.27 7.81 7 M 7.62 4.28 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 8 P 0.00 4.38 0.00 2.17 2.08 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 9 Q 8.34 4.71 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 10 V 8.05 4.42 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 0.88 0.00 0.00 0.95 0.00 0.00 11 N 8.65 4.78 0.00 2.70 2.68 0.00 0.00 6.83 7.85 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 12 L 7.96 4.57 0.00 1.19 0.93 0.90 -0.26 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 13 R 8.05 4.43 0.00 1.84 1.86 0.00 3.22 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 14 W 8.06 5.09 0.00 3.32 2.91 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 15 P 0.00 4.53 0.00 2.20 2.13 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 16 R 8.72 4.01 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 17 E 8.21 4.17 0.00 2.17 2.26 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 2.39 2.33 0.00 18 V 7.76 3.56 2.33 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 1.15 0.00 0.00 0.91 0.00 0.00 19 L 8.38 4.14 0.00 2.06 1.77 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.64 4.36 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.96 0.00 1.81 1.93 0.94 0.87 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 V 8.07 3.63 2.36 0.00 0.00 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 1.22 0.00 0.00 23 R 8.41 4.03 0.00 2.06 1.98 0.00 3.19 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 24 K 8.07 3.98 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 25 V 8.43 3.84 2.11 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 1.04 0.00 0.00 1.01 0.00 0.00 26 A 8.62 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.00 0.00 2.02 1.97 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 2.24 2.20 0.00 28 E 7.89 4.23 0.00 2.08 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 2.27 2.24 0.00 29 N 8.21 4.89 0.00 2.84 2.90 0.00 0.00 7.13 7.33 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 30 G 8.07 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 0.00 0.00 0.00 31 R 7.95 4.70 0.00 1.80 1.85 0.00 3.49 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 32 S 8.12 4.60 0.00 4.03 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 33 V 8.23 3.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 34 N 8.22 4.21 0.00 2.84 2.77 0.00 0.00 7.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.22 4.26 0.00 3.96 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 36 E 8.49 3.96 0.00 2.18 2.13 0.00 0.00 0.00 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 2.45 0.00 37 I 7.99 3.95 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 1.05 0.00 0.00 38 Y 8.46 4.14 0.00 3.13 3.20 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 0.00 0.00 0.00 0.00 39 Q 8.84 3.88 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 40 R 7.90 3.88 0.00 1.90 1.95 0.00 3.17 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 41 V 7.77 3.30 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 0.78 0.00 0.00 0.95 0.00 0.00 42 M 7.76 4.03 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 43 E 8.04 3.92 0.00 2.13 2.05 0.00 0.00 0.00 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 2.30 0.00 44 S 7.67 4.19 0.00 3.96 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 45 F 7.81 4.44 0.00 3.30 3.01 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 46 K 8.50 3.95 0.00 2.05 1.93 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.67 7.81 47 K 7.80 4.07 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.66 7.81 48 E 8.08 4.30 0.00 2.25 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 2.37 2.58 0.00 49 G 7.76 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.77 4.15 0.00 1.85 1.74 0.00 3.40 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 51 I 7.60 4.59 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 0.93 0.00 0.00 52 G 7.91 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 4.07 1.18 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 0.00 0.00