NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3848 8.4449 120.3467 56.0312 30.9712 172.6928 3 Y 4.4565 7.4480 122.3341 55.9261 39.2854 172.3127 4 E 4.0948 9.4722 122.4512 56.8121 30.9976 176.4189 5 E 4.5763 8.6321 121.6920 55.2682 33.0882 174.3683 6 G 3.7388 8.9668 106.9631 42.8510 0.0000 171.1220 7 P 4.2675 0.0000 0.0000 64.4811 31.3270 177.2697 8 G 3.9155 9.0353 111.7584 45.1805 0.0000 173.7280 9 K 4.3650 8.1967 117.5340 56.2462 33.0054 176.3716 10 N 4.9834 7.7811 116.7755 51.8299 38.1720 174.3530 11 I 4.4255 7.0269 110.3230 59.5386 40.6128 173.5518 12 P 4.4185 0.0000 0.0000 63.5093 31.4618 175.7192 13 F 4.9798 6.5264 112.6067 54.9703 40.7426 174.2677 14 S 4.5697 8.5795 116.0114 57.7072 63.1487 174.1677 15 V 4.5127 8.0537 119.1283 61.0122 32.6039 176.3597 16 E 3.9906 8.0387 122.9136 58.8532 29.5968 177.3858 17 N 4.8846 7.8808 117.0711 50.7887 41.8611 174.6995 18 K 3.8153 8.4274 128.2508 59.4070 32.5788 178.9660 19 W 4.4461 7.7117 120.0183 59.4789 29.3234 178.3036 20 R 4.0171 8.7224 118.9405 59.1416 29.4541 178.3888 21 L 3.9229 8.0551 120.3201 57.9831 42.0541 178.5677 22 L 3.9455 7.9907 120.0453 58.1179 41.9839 178.6664 23 A 4.0469 8.1375 120.5289 55.6421 18.3780 179.5586 24 M 4.0357 8.1778 117.0164 58.9153 32.0542 179.0086 25 M 4.2599 8.5523 119.2303 58.5272 32.1010 178.9393 26 T 3.9425 8.2887 116.1366 66.6978 68.7135 176.5530 27 L 3.9934 8.1051 120.7238 58.3592 41.2168 178.7229 28 F 3.9257 8.8047 120.4571 62.1297 39.1355 177.1562 29 F 4.2682 9.3583 117.4439 60.3623 38.8613 178.2050 30 G 3.7723 8.9445 106.2358 47.7751 0.0000 175.9661 31 S 4.2702 8.3941 116.8717 61.0607 62.8236 176.8999 32 G 3.5182 7.4548 107.8257 47.6073 0.0000 175.2315 33 F 4.3844 8.3076 122.0370 60.8569 39.5631 176.8192 34 A 4.4310 8.7638 120.7440 54.9338 18.1729 179.3001 35 A 4.1165 8.0596 119.0605 55.2096 18.4801 178.2062 36 P 4.1723 0.0000 0.0000 65.4051 31.3374 178.9218 37 F 3.9718 7.9693 116.4848 60.5483 38.8460 177.5430 38 F 4.0454 8.1690 117.4048 60.2461 38.5844 177.9788 39 I 3.7711 7.9588 119.8818 64.1276 36.9061 178.3734 40 V 3.5068 7.8168 119.1172 66.1892 31.3785 177.4841 41 R 3.7720 7.7591 118.0600 60.1035 29.7205 177.2695 42 H 4.0866 8.9116 117.7565 59.8411 29.4205 177.1478 43 Q 4.0317 8.3532 119.6787 58.9176 28.3124 178.6417 44 L 4.2099 8.2245 119.4649 57.3753 41.7656 178.6849 45 L 4.3788 7.7138 115.8564 55.1358 41.9616 178.5473 46 K 4.1074 7.4460 117.9847 58.3318 32.3317 176.6763 47 K 3.9673 7.3062 123.8032 57.1864 33.3073 173.9691 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 H 8.44 4.38 0.00 2.98 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.45 4.46 0.00 3.01 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 4 E 9.47 4.09 0.00 1.95 1.87 0.00 0.00 0.00 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 2.28 0.00 5 E 8.63 4.58 0.00 1.91 1.81 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 2.21 2.43 0.00 6 G 8.97 3.74 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 0.00 0.00 0.00 7 P 0.00 4.27 0.00 2.03 2.02 0.00 3.67 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 2.02 2.09 0.00 8 G 9.04 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 0.00 0.00 0.00 9 K 8.20 4.36 0.00 1.83 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81 10 N 7.78 4.98 0.00 2.72 2.80 0.00 0.00 5.84 7.81 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 11 I 7.03 4.43 0.73 0.00 0.00 0.31 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 0.44 0.65 0.00 0.00 12 P 0.00 4.42 0.00 2.22 2.16 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 13 F 6.53 4.98 0.00 3.17 2.94 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 S 8.58 4.57 0.00 3.86 3.83 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 15 V 8.05 4.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 16 E 8.04 3.99 0.00 1.88 2.01 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 2.34 2.33 0.00 17 N 7.88 4.88 0.00 2.77 2.65 0.00 0.00 6.89 6.56 0.00 0.00 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 K 8.43 3.82 0.00 1.54 1.73 0.00 0.95 0.00 0.00 1.21 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.70 0.21 7.81 19 W 7.71 4.45 0.00 3.65 3.33 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 20 R 8.72 4.02 0.00 1.95 2.10 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.06 3.92 0.00 1.81 1.67 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.99 3.95 0.00 1.98 2.02 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.14 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.18 4.04 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.93 0.00 25 M 8.55 4.26 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 26 T 8.29 3.94 4.65 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 27 L 8.11 3.99 0.00 1.89 1.75 0.95 0.87 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 28 F 8.80 3.93 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 9.36 4.27 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 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 31 S 8.39 4.27 0.00 4.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.45 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.31 4.38 0.00 3.19 3.35 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 34 A 8.76 4.43 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.12 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 36 P 0.00 4.17 0.00 1.66 1.87 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 37 F 7.97 3.97 0.00 3.07 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 38 F 8.17 4.05 0.00 3.22 3.24 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 39 I 7.96 3.77 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.91 0.00 0.00 40 V 7.82 3.51 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 0.87 0.00 0.00 0.82 0.00 0.00 41 R 7.76 3.77 0.00 1.89 2.15 0.00 3.09 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 42 H 8.91 4.09 0.00 3.36 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.35 4.03 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 44 L 8.22 4.21 0.00 1.78 1.72 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.71 4.38 0.00 1.62 1.70 0.95 0.70 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 46 K 7.45 4.11 0.00 1.85 1.81 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.29 7.81 47 K 7.31 3.97 0.00 1.77 1.59 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.22 7.81