NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4062 8.1885 116.7978 58.6968 65.1204 176.2730 1 A 3.7661 7.4998 124.0030 53.8793 19.1253 177.6591 2 R 4.0356 8.8547 115.9490 58.9170 31.1306 176.5878 3 N 4.3707 8.0455 115.7513 56.2620 38.6996 177.0932 4 A 3.8420 9.3796 122.6158 55.2547 18.5324 179.0936 5 Y 4.1023 7.7103 117.9171 60.6779 38.7816 178.2085 6 L 3.6122 7.9694 119.9533 57.6917 41.7960 179.5649 7 R 3.8590 8.9000 118.9896 59.3020 30.0241 179.3677 8 K 3.9817 8.0270 118.2369 59.0217 31.9849 179.4822 9 K 3.7360 7.6799 119.4941 59.6184 32.2102 178.6626 10 I 3.6233 7.7351 120.0294 64.6867 37.0497 178.1170 11 A 3.9789 7.7895 120.7218 55.2768 18.2533 179.9667 12 R 3.8962 7.8566 116.5820 59.3276 30.0665 179.3035 13 L 4.0223 8.4458 119.2476 57.5954 41.5719 179.8074 14 K 3.9572 8.0669 118.5531 59.2745 32.0550 179.2670 15 K 3.9266 8.1212 119.9087 59.5053 31.9444 178.5018 16 D 4.2889 8.1649 119.1076 57.4620 40.9132 178.0067 17 N 4.2224 8.1883 117.5000 56.9227 38.8091 176.7688 18 L 3.9736 8.0162 120.0627 57.6895 41.7013 179.1686 19 Q 3.9432 7.9210 119.4156 59.3413 29.0481 178.3662 20 L 3.9938 8.1480 120.1320 57.9764 41.5002 179.4960 21 E 4.0589 8.1734 118.2335 59.2571 29.2359 179.6278 22 R 3.9232 8.1556 118.2269 59.3901 30.1447 178.7941 23 D 4.3509 8.7145 118.9845 57.3807 40.8053 178.3928 24 E 3.9230 8.7007 120.0822 59.4681 29.4458 178.8188 25 Q 4.1238 7.9483 117.7978 58.4142 28.8139 178.0392 26 N 4.4192 8.0154 117.5963 55.9878 38.6353 177.4892 27 L 4.0173 8.1453 120.6339 57.7136 41.7156 179.3204 28 E 4.0440 8.2599 118.6838 58.9711 29.3378 179.5810 29 K 3.9720 7.8436 118.8634 59.6397 32.1140 179.4249 30 I 3.7460 7.9410 120.1429 64.3248 36.8514 178.6844 31 I 3.6645 7.8064 120.4310 64.3260 37.0929 178.0152 32 A 3.9888 8.0337 121.5974 55.4834 18.1013 179.5706 33 N 4.2852 8.2115 114.5703 56.5567 38.7243 177.7370 34 L 4.0094 8.2251 120.6763 57.8030 41.6296 179.8714 35 R 3.9091 8.3264 118.4289 59.3149 29.9929 178.6011 36 D 4.3075 7.9113 117.3677 57.0895 41.1825 177.7411 37 E 3.9102 8.3183 119.9215 59.5077 29.6098 178.9227 38 I 3.6816 7.7944 119.4965 64.1390 36.6823 178.0867 39 A 4.1315 7.9368 121.5937 55.6037 18.3147 180.0358 40 R 3.9738 8.1527 116.3117 59.2603 30.0724 179.4324 41 L 4.0282 8.0469 119.0545 57.7890 41.6403 179.2917 42 E 4.1875 8.4335 118.6133 59.2701 29.0678 179.2835 43 N 4.3409 7.6251 114.8876 56.0601 38.7545 176.7259 44 E 4.0570 7.8450 119.4544 59.2773 29.8368 178.6322 45 V 3.7045 8.0998 116.9294 65.9227 31.7019 176.0295 46 A 4.2883 7.7742 123.4130 52.5376 18.3848 176.8879 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 0 S 8.19 4.41 0.00 3.92 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 1 A 7.50 3.77 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.85 4.04 0.00 1.92 1.96 0.00 3.21 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 3 N 8.05 4.37 0.00 2.87 2.86 0.00 0.00 7.03 7.54 0.00 0.00 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 9.38 3.84 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 5 Y 7.71 4.10 0.00 3.11 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.61 0.00 1.88 1.62 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.90 3.86 0.00 1.67 1.95 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 8 K 8.03 3.98 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.68 7.81 9 K 7.68 3.74 0.00 1.49 1.48 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 10 I 7.74 3.62 1.99 0.00 0.00 0.82 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 0.79 0.88 0.00 0.00 11 A 7.79 3.98 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 12 R 7.86 3.90 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 13 L 8.45 4.02 0.00 1.87 1.69 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.07 3.96 0.00 1.96 1.83 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 15 K 8.12 3.93 0.00 1.99 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 D 8.16 4.29 0.00 2.96 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 17 N 8.19 4.22 0.00 2.86 3.00 0.00 0.00 7.30 6.18 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 18 L 8.02 3.97 0.00 1.95 1.69 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.92 3.94 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 20 L 8.15 3.99 0.00 1.71 1.70 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.17 4.06 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 2.32 2.64 0.00 22 R 8.16 3.92 0.00 2.08 1.97 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 23 D 8.71 4.35 0.00 2.90 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 24 E 8.70 3.92 0.00 2.05 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 2.31 2.36 0.00 25 Q 7.95 4.12 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 26 N 8.02 4.42 0.00 2.70 2.85 0.00 0.00 6.89 8.07 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 27 L 8.15 4.02 0.00 1.69 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.26 4.04 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 2.33 2.46 0.00 29 K 7.84 3.97 0.00 1.99 1.85 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 I 7.94 3.75 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 1.52 0.99 0.91 0.00 0.00 31 I 7.81 3.66 2.07 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 1.45 0.85 0.91 0.00 0.00 32 A 8.03 3.99 1.38 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 0.00 0.00 0.00 33 N 8.21 4.29 0.00 2.92 2.87 0.00 0.00 7.05 6.54 0.00 0.00 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 L 8.23 4.01 0.00 1.66 1.72 0.92 0.96 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 35 R 8.33 3.91 0.00 2.08 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 36 D 7.91 4.31 0.00 2.81 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 37 E 8.32 3.91 0.00 2.08 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 2.36 0.00 38 I 7.79 3.68 2.00 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 1.45 0.52 0.93 0.00 0.00 39 A 7.94 4.13 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 40 R 8.15 3.97 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 41 L 8.05 4.03 0.00 1.93 1.71 0.92 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 42 E 8.43 4.19 0.00 2.15 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 2.54 0.00 43 N 7.63 4.34 0.00 2.90 2.87 0.00 0.00 6.96 7.54 0.00 0.00 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 E 7.85 4.06 0.00 2.07 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 2.32 2.36 0.00 45 V 8.10 3.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.94 0.00 0.00 46 A 7.77 4.29 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00