NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3795 8.3193 115.4075 57.8674 64.3145 173.1594 3 E 4.1502 8.2816 119.4810 54.9866 30.7303 175.2366 4 S 4.3064 9.6669 116.7166 58.3771 64.4288 176.7041 5 L 3.9721 8.7205 125.4214 58.1624 41.9552 177.8222 6 L 4.6441 7.9195 116.1791 54.9548 42.0974 177.5705 7 Y 4.2461 8.5717 122.5873 61.0344 38.7770 178.5583 8 G 3.6264 8.3404 106.0903 47.7234 0.0000 174.9426 9 Y 3.9725 7.9039 121.2862 60.7830 38.7890 177.8316 10 F 4.4049 8.2589 119.8738 59.3902 38.9803 177.6600 11 L 3.6633 7.9187 120.7114 57.8791 41.7035 178.4279 12 D 4.2625 7.8682 118.2078 57.2569 41.0324 178.3868 13 S 4.4071 7.6465 115.5807 60.2683 62.8846 176.3388 14 W 4.0294 7.8098 132.2600 60.2534 30.5258 178.1351 15 L 3.3940 7.7779 119.0421 56.8730 41.2913 177.9409 16 D 4.4410 8.1157 116.9664 52.7195 39.6445 177.5997 17 G 2.6427 7.0610 107.0643 46.0800 0.0000 174.6063 18 T 4.1175 7.7241 110.5799 62.7364 69.7571 175.2336 19 A 4.5302 8.1798 124.4336 51.3282 19.6958 176.5651 20 S 5.0029 8.3132 114.4346 56.0107 67.1062 174.8712 21 E 4.0880 8.7296 121.1386 59.3918 29.2109 178.1306 22 E 3.9367 8.1645 118.8683 59.1451 29.8406 178.1845 23 L 3.9674 7.6528 119.7609 58.4234 42.1552 178.9887 24 L 3.7678 7.7778 118.5280 57.8087 41.4008 179.7721 25 R 3.9481 7.6467 117.8541 58.8603 29.9875 179.0609 26 V 3.5350 8.0224 118.2070 65.9855 31.5067 178.0116 27 A 3.8941 7.9039 120.5256 54.7078 17.9037 179.8765 28 V 4.0193 7.4564 118.2682 65.9843 31.4927 178.1344 29 N 4.4205 8.1664 114.2473 55.7206 38.4378 177.0381 30 A 4.1961 7.9040 121.9308 53.0764 18.4455 178.5182 31 G 3.8915 7.6518 104.5195 45.9112 0.0000 174.0283 32 D 4.7162 7.9091 118.9748 55.1101 41.7000 176.5986 33 L 4.9862 7.3454 118.4049 52.2071 46.0274 175.7108 34 T 4.5394 9.6049 113.3276 61.0051 71.2814 175.7802 35 Q 3.9257 8.5249 122.4394 59.6302 29.0437 178.5727 36 E 4.0007 8.1173 118.9840 59.3929 29.4598 179.0590 37 E 4.1356 8.0984 118.1084 59.2788 29.5462 179.1859 38 A 3.8437 7.9586 120.7991 55.2936 18.2179 179.5006 39 D 4.2545 7.8423 116.3881 57.0457 41.0027 178.6714 40 K 4.1447 7.9956 120.4064 59.6126 32.4084 178.9887 41 I 3.6202 7.9172 120.2293 64.5437 36.7480 178.0118 42 M 3.3799 7.4129 117.5164 57.0136 31.8204 178.4529 43 S 4.2539 7.5505 115.0187 60.4820 63.2414 174.3783 44 Y 4.2606 7.2872 118.0885 56.4550 38.4607 173.5796 45 P 4.4477 0.0000 0.0000 62.1438 31.5496 176.4881 46 W 3.2968 8.9701 134.4645 58.1027 30.9935 175.6358 47 G 3.0305 7.5954 114.3820 46.2950 0.0000 175.8146 48 A 4.1418 7.4198 124.2788 54.4037 18.7956 180.8232 49 W 4.7599 8.2307 115.6179 59.4877 29.1472 176.9342 50 N 4.6771 7.6138 113.7703 53.5822 38.6396 174.8797 51 D 4.5401 7.6593 123.0369 54.5969 40.7896 176.0229 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 8.32 4.38 0.00 3.98 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 3 E 8.28 4.15 0.00 2.14 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 4 S 9.67 4.31 0.00 4.02 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 5 L 8.72 3.97 0.00 1.63 1.76 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.64 0.00 2.06 1.72 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.57 4.25 0.00 3.23 3.07 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 8 G 8.34 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.90 3.97 0.00 2.93 2.92 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 10 F 8.26 4.40 0.00 3.14 2.92 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 11 L 7.92 3.66 0.00 1.09 1.49 -0.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.87 4.26 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.65 4.41 0.00 3.99 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.81 4.03 0.00 3.38 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 15 L 7.78 3.39 0.00 1.12 0.13 0.35 0.56 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 16 D 8.12 4.44 0.00 2.85 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 17 G 7.06 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.12 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 19 A 8.18 4.53 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 20 S 8.31 5.00 0.00 4.06 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 21 E 8.73 4.09 0.00 2.18 2.04 0.00 0.00 0.00 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 2.42 0.00 22 E 8.16 3.94 0.00 2.09 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 2.39 2.37 0.00 23 L 7.65 3.97 0.00 1.83 1.94 1.17 0.76 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 24 L 7.78 3.77 0.00 1.77 1.54 0.47 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.65 3.95 0.00 1.98 1.94 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 26 V 8.02 3.53 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 1.03 0.00 0.00 0.99 0.00 0.00 27 A 7.90 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.46 4.02 2.17 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 1.41 0.00 0.00 0.92 0.00 0.00 29 N 8.17 4.42 0.00 2.71 2.85 0.00 0.00 7.09 7.46 0.00 0.00 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 A 7.90 4.20 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 31 G 7.65 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 0.00 0.00 0.00 32 D 7.91 4.72 0.00 2.80 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 33 L 7.35 4.99 0.00 1.52 1.46 0.47 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.60 4.54 4.41 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 1.25 0.00 0.00 35 Q 8.52 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 36 E 8.12 4.00 0.00 2.08 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 2.39 2.45 0.00 37 E 8.10 4.14 0.00 2.33 2.32 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 2.28 2.33 0.00 38 A 7.96 3.84 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 39 D 7.84 4.25 0.00 2.79 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 40 K 8.00 4.14 0.00 2.02 2.18 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.80 1.66 7.81 41 I 7.92 3.62 1.64 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.83 0.34 0.00 0.00 42 M 7.41 3.38 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.41 0.00 43 S 7.55 4.25 0.00 3.88 3.85 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 0.00 0.00 0.00 44 Y 7.29 4.26 0.00 3.33 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.07 2.08 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 46 W 8.97 3.30 0.00 2.50 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 47 G 7.60 3.03 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 0.00 0.00 0.00 48 A 7.42 4.14 1.16 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 0.00 0.00 49 W 8.23 4.76 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.61 4.68 0.00 2.58 2.80 0.00 0.00 7.02 7.91 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 51 D 7.66 4.54 0.00 2.91 2.63 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 0.00 0.00 0.00 0.00