NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3610 8.1233 123.5839 52.0405 21.2580 178.6701 2 E 3.9084 8.1755 116.6603 58.3334 28.6896 177.6892 3 G 3.7750 7.8547 105.5995 47.4477 0.0000 175.1285 4 D 4.5606 8.0206 120.6254 55.5039 39.5698 178.1289 5 D 4.3550 7.9732 120.9540 57.2072 40.9126 176.9063 6 P 4.2661 0.0000 0.0000 65.4340 31.2143 178.5997 7 A 3.8770 7.4901 117.8329 54.9230 18.2560 179.8131 8 K 4.0783 8.4895 117.2536 59.6270 32.1280 179.5070 9 A 4.0080 8.0917 120.8496 55.0173 18.2650 179.4976 10 A 3.9499 7.8977 119.3690 55.3506 18.3660 179.9424 11 F 4.5393 8.3065 116.4210 60.9117 38.9798 177.6054 12 D 4.4532 8.4681 118.7549 57.4236 40.5925 179.1452 13 S 4.1643 8.3131 115.6323 61.7395 62.9240 176.7582 14 L 4.1311 8.1420 121.7075 57.8204 41.3369 179.4324 15 Q 4.0406 8.4004 119.5314 58.9831 29.0090 177.9447 16 A 4.0770 8.2794 121.9791 55.1250 18.4096 179.6930 17 S 4.9804 8.4975 114.9075 61.3909 62.8808 176.8428 18 A 4.3255 8.2665 123.4070 55.5794 18.0399 179.8529 19 T 4.0061 8.0776 114.3104 66.5412 68.5472 176.8467 20 E 3.8523 8.1709 120.7102 59.7414 29.3465 178.8842 21 Y 4.4151 7.9292 115.2240 61.3514 38.2338 178.5871 22 I 4.0975 8.5917 121.3288 64.3776 37.3152 178.6612 23 G 3.7708 8.4534 106.8212 48.1530 0.0000 175.3782 24 Y 4.3774 8.0809 118.3866 60.7190 37.8174 178.3400 25 A 4.0836 8.2081 121.9773 54.9355 18.5209 179.6535 26 W 4.0679 8.3652 116.8179 60.0045 29.1872 178.5083 27 A 4.1547 8.2503 120.4539 55.1591 17.7788 179.4449 28 M 4.0325 8.0546 116.9804 58.9128 32.3415 178.6970 29 V 3.7115 8.1117 118.2380 65.5198 31.6532 178.1091 30 V 3.6699 7.9024 118.5313 65.8994 31.3289 178.1925 31 V 3.6259 7.9362 118.0091 66.1111 31.5429 178.1479 32 I 3.7391 7.6683 119.6231 64.3590 36.8408 178.5629 33 V 3.8342 8.3968 119.6364 65.4886 31.4995 178.3025 34 G 3.6256 8.2079 105.5718 47.6240 0.0000 175.4989 35 A 4.0294 8.1373 123.0290 55.4558 18.4627 179.9642 36 T 3.9501 7.7882 113.8665 66.5513 68.4533 177.3081 37 I 3.9338 8.1733 122.4516 64.0415 37.2459 178.6938 38 G 3.6554 8.0353 106.1897 48.0712 0.0000 175.9573 39 I 3.7268 7.8240 122.9446 63.8624 37.0866 178.7598 40 K 4.1621 8.3477 119.3196 59.1273 31.8697 179.3849 41 L 4.1849 8.2070 119.6466 57.7723 41.5866 179.5083 42 F 3.9631 8.2748 117.4182 60.5088 38.6867 177.8419 43 K 4.1333 8.1788 117.6451 59.3128 31.9050 179.5854 44 K 4.0602 8.1472 118.9284 59.5365 32.0217 179.3026 45 F 4.0439 8.5778 118.0731 60.8719 38.8307 177.6053 46 T 3.9828 7.9658 115.0689 67.0739 68.0248 176.7250 47 S 4.1913 7.6700 115.9195 61.4692 62.9435 176.5476 48 K 4.0754 7.7144 119.8053 59.2967 31.8070 178.9875 49 A 4.1411 7.9089 120.3692 55.0590 18.3896 178.0928 50 S 4.3876 7.7728 117.0260 58.9565 63.0729 174.1352 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 A 8.12 4.36 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 2 E 8.18 3.91 0.00 2.03 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 2.32 2.44 0.00 3 G 7.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.56 0.00 2.99 2.96 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 0.00 0.00 0.00 5 D 7.97 4.35 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.12 2.09 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 7 A 7.49 3.88 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.49 4.08 0.00 1.98 1.94 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.69 7.81 9 A 8.09 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.95 1.25 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 0.00 0.00 11 F 8.31 4.54 0.00 3.32 2.97 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 12 D 8.47 4.45 0.00 2.90 2.76 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 13 S 8.31 4.16 0.00 4.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.13 0.00 2.07 1.87 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.40 4.04 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 16 A 8.28 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.98 0.00 4.29 4.13 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 0.00 0.00 0.00 18 A 8.27 4.33 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.08 4.01 4.42 0.00 0.00 0.00 0.00 0.00 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 20 E 8.17 3.85 0.00 2.19 1.88 0.00 0.00 0.00 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 2.56 0.00 21 Y 7.93 4.42 0.00 3.18 3.04 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 0.00 0.00 0.00 22 I 8.59 4.10 2.28 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 1.27 0.00 0.00 23 G 8.45 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.38 0.00 3.38 2.98 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 0.00 0.00 0.00 25 A 8.21 4.08 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 26 W 8.37 4.07 0.00 3.55 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 27 A 8.25 4.15 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.03 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 29 V 8.11 3.71 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 30 V 7.90 3.67 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 0.99 0.00 0.00 1.09 0.00 0.00 31 V 7.94 3.63 2.29 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 0.99 0.00 0.00 1.06 0.00 0.00 32 I 7.67 3.74 1.99 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 1.41 1.24 0.91 0.00 0.00 33 V 8.40 3.83 2.19 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 1.12 0.00 0.00 0.98 0.00 0.00 34 G 8.21 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 35 A 8.14 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.79 3.95 4.36 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 1.22 0.00 0.00 37 I 8.17 3.93 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.96 0.00 0.00 38 G 8.04 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 0.00 0.00 0.00 39 I 7.82 3.73 1.90 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 1.30 1.02 0.83 0.00 0.00 40 K 8.35 4.16 0.00 1.90 1.90 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.65 7.81 41 L 8.21 4.18 0.00 2.13 1.82 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.27 3.96 0.00 3.19 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 43 K 8.18 4.13 0.00 2.02 1.92 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 44 K 8.15 4.06 0.00 2.23 1.92 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.84 1.70 7.81 45 F 8.58 4.04 0.00 3.17 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 46 T 7.97 3.98 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 47 S 7.67 4.19 0.00 4.03 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 48 K 7.71 4.08 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.34 7.81 49 A 7.91 4.14 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 50 S 7.77 4.39 0.00 4.04 3.80 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 0.00 0.00 0.00