NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2584 8.2601 123.5826 51.5441 19.9805 176.1154 3 A 3.9609 8.2164 122.3636 51.0928 18.9513 176.0907 4 A 4.2172 8.2770 124.2295 52.3611 20.2108 176.8253 5 S 4.5380 10.1347 117.0492 57.8013 65.6542 174.9271 6 Y 3.9888 8.4800 121.2496 60.9155 38.4878 177.3306 7 D 4.4746 8.1924 119.4974 57.2279 41.0392 178.5643 8 Q 4.0244 8.2225 118.8136 58.7375 28.6066 178.6602 9 L 3.8984 7.7472 119.8048 57.6221 41.6662 179.0903 10 L 3.8090 7.6091 120.1897 58.2323 41.9378 179.2957 11 K 4.0142 7.9125 118.1889 59.3651 31.9403 179.4085 12 Q 3.9421 7.9559 118.4702 58.9159 28.5878 178.9054 13 V 3.5691 8.0675 119.6075 66.0259 31.4660 177.8268 14 E 3.9245 8.2123 118.0264 59.5263 29.2901 179.3303 15 A 4.0470 7.9901 120.6542 54.9043 18.4465 179.7343 16 L 3.9234 8.4145 118.0760 57.9209 41.6447 179.8380 17 K 4.0315 8.4097 118.8864 59.5889 31.8618 179.1698 18 M 3.9944 7.9086 118.2328 58.3921 32.1917 177.7766 19 E 3.8850 8.3066 119.6185 59.4362 29.8714 178.2306 20 N 4.3198 8.6351 117.2891 56.9976 38.9743 176.9663 21 S 4.1622 8.2500 116.5925 61.5636 62.8359 176.4732 22 N 4.3666 8.4656 119.6700 56.1321 38.2415 177.4201 23 L 3.9799 8.3822 120.8321 57.9614 41.7123 179.7882 24 R 3.9157 7.9416 117.7933 59.3526 29.9000 179.0994 25 Q 4.0004 8.0497 117.7230 58.9666 28.6939 178.8193 26 E 3.9361 8.3394 119.5628 59.3899 29.5670 179.1569 27 L 3.9842 8.1032 120.4842 58.0407 42.1302 178.6004 28 E 3.8982 8.3482 119.3394 59.2069 29.5078 178.1817 29 D 4.3039 8.3056 118.3171 57.7159 41.3910 178.1169 30 N 4.3865 8.6371 117.2540 56.2512 38.5256 177.7907 31 S 4.1227 8.5952 117.1101 61.6164 62.8796 176.1641 32 N 4.3245 8.2886 119.7721 56.9053 38.6727 176.3698 33 H 4.2074 8.4994 120.0486 58.9741 29.9054 177.0381 34 L 3.8613 8.0633 122.1731 58.4924 42.0040 178.9990 35 T 4.2328 7.6796 116.8338 66.2128 68.4233 176.8002 36 K 4.0811 8.3836 120.3795 59.1619 31.9452 179.5473 37 L 4.1633 7.8950 119.6316 57.7369 41.3913 179.3005 38 E 3.9491 8.3375 118.6365 59.5742 29.3036 179.4308 39 T 3.8768 7.9486 115.7506 66.7776 68.6661 176.4409 40 E 3.9315 8.2541 120.1244 59.3399 29.4776 179.3413 41 A 4.0043 8.2034 120.8554 55.3501 18.4718 179.9366 42 S 4.0988 8.4498 114.0766 61.7847 62.8161 176.6552 43 N 4.4435 8.4841 119.5222 56.2914 38.2233 177.1865 44 M 3.9722 7.9210 119.2100 58.5287 32.5458 178.0414 45 K 3.8738 8.0211 119.7915 59.6187 32.1684 178.2869 46 E 3.9557 8.6842 120.1219 59.2453 29.1345 179.1180 47 V 3.7015 8.1041 119.0935 64.2698 31.5753 178.4589 48 L 4.0304 8.0194 120.2120 57.7118 41.4439 179.0779 49 K 3.9347 7.9644 118.2957 59.5783 31.8903 179.1991 50 Q 4.1018 7.7506 117.1972 58.6446 28.3222 178.0290 51 L 4.2862 7.4298 120.1029 57.3863 41.9321 178.8611 52 Q 3.9380 8.1437 117.0671 58.8705 28.6080 177.9397 53 G 3.6766 7.8135 105.8701 47.1169 0.0000 173.8029 54 S 4.8821 8.5447 126.0249 57.1423 62.7291 170.4430 55 I 4.2000 7.1996 121.9025 59.9378 36.2855 177.3450 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 A 8.26 4.26 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 3 A 8.22 3.96 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 4 A 8.28 4.22 1.24 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 0.00 0.00 0.00 5 S 10.13 4.54 0.00 3.93 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 6 Y 8.48 3.99 0.00 3.12 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 7 D 8.19 4.47 0.00 2.78 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 8 Q 8.22 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 L 7.75 3.90 0.00 1.68 1.54 0.84 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.61 3.81 0.00 1.66 1.78 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.91 4.01 0.00 2.04 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 12 Q 7.96 3.94 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 13 V 8.07 3.57 2.16 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 1.07 0.00 0.00 0.89 0.00 0.00 14 E 8.21 3.92 0.00 2.21 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 2.32 2.46 0.00 15 A 7.99 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.92 0.00 1.83 1.71 0.90 0.95 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 17 K 8.41 4.03 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.62 7.81 18 M 7.91 3.99 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 19 E 8.31 3.88 0.00 2.14 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 0.00 2.30 2.32 0.00 20 N 8.64 4.32 0.00 2.79 2.95 0.00 0.00 7.30 7.43 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 21 S 8.25 4.16 0.00 4.04 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 22 N 8.47 4.37 0.00 3.00 2.85 0.00 0.00 6.99 6.80 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 23 L 8.38 3.98 0.00 1.77 1.72 0.92 0.92 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 24 R 7.94 3.92 0.00 2.05 1.98 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 25 Q 8.05 4.00 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 26 E 8.34 3.94 0.00 2.19 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 2.33 2.51 0.00 27 L 8.10 3.98 0.00 1.75 1.81 0.92 0.87 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 28 E 8.35 3.90 0.00 2.29 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 2.31 2.32 0.00 29 D 8.31 4.30 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.64 4.39 0.00 2.82 2.87 0.00 0.00 7.14 7.38 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 31 S 8.60 4.12 0.00 3.96 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 32 N 8.29 4.32 0.00 2.85 3.00 0.00 0.00 6.89 7.27 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 33 H 8.50 4.21 0.00 3.36 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.06 3.86 0.00 1.79 1.84 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.68 4.23 4.40 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 1.21 0.00 0.00 36 K 8.38 4.08 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.64 7.81 37 L 7.89 4.16 0.00 1.83 1.66 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.34 3.95 0.00 2.14 1.98 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 2.31 2.50 0.00 39 T 7.95 3.88 4.38 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 1.21 0.00 0.00 40 E 8.25 3.93 0.00 2.19 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 2.39 0.00 41 A 8.20 4.00 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.45 4.10 0.00 3.97 3.92 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 0.00 0.00 0.00 43 N 8.48 4.44 0.00 2.72 2.87 0.00 0.00 6.65 8.52 0.00 0.00 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 M 7.92 3.97 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 45 K 8.02 3.87 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 46 E 8.68 3.96 0.00 2.19 2.02 0.00 0.00 0.00 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 2.31 0.00 47 V 8.10 3.70 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 0.89 0.00 0.00 0.93 0.00 0.00 48 L 8.02 4.03 0.00 1.94 1.75 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.96 3.93 0.00 2.01 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 50 Q 7.75 4.10 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 51 L 7.43 4.29 0.00 1.92 1.74 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.14 3.94 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 53 G 7.81 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.54 4.88 0.00 4.05 4.25 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 0.00 0.00 0.00 0.00 55 I 7.20 4.20 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 1.27 0.95 0.91 0.00 0.00