NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3983 8.4449 120.3665 55.6746 31.0185 173.0715 3 Y 4.3754 7.6638 123.2090 57.2483 38.4919 172.7788 4 E 4.2283 9.5060 122.9947 56.6210 31.1620 176.1365 5 E 4.6592 8.6167 120.6975 55.1732 33.3839 175.1655 6 G 3.8652 8.8898 106.3221 43.5753 0.0000 171.3354 7 P 4.2239 0.0000 0.0000 64.2828 31.4374 177.3641 8 G 3.8367 8.8633 109.8094 45.7521 0.0000 173.7767 9 K 4.4438 8.0719 117.3060 55.8581 33.8822 176.1917 10 N 4.9170 7.9102 115.9734 52.3218 37.9200 174.5791 11 I 4.5476 7.1172 110.3555 59.2584 40.5495 173.3000 12 P 4.3827 0.0000 0.0000 63.8215 31.7067 175.8894 13 F 4.9582 7.2628 113.3622 54.8462 40.5481 174.3320 14 S 4.4850 8.5044 116.1752 57.6334 63.1279 174.2608 15 V 4.4566 7.9530 119.5646 61.1608 32.2427 176.6556 16 E 3.9491 8.2157 123.4334 58.3728 29.6893 177.0274 17 N 4.8961 7.8567 117.6991 51.1657 41.2902 174.9118 18 K 3.7191 8.4163 128.1862 59.4594 32.4978 178.8959 19 W 4.4374 7.7612 119.8236 59.3201 29.3139 178.3662 20 R 4.0034 8.6408 118.9414 59.1455 29.4108 178.2884 21 L 3.9608 8.2779 120.6872 58.0897 42.1246 178.6669 22 L 3.9582 7.9029 120.0570 58.1138 42.0202 178.8720 23 A 4.0645 8.1182 120.6688 55.3529 18.2832 179.4893 24 M 4.0009 8.2059 117.1875 59.0054 32.0348 178.9404 25 M 4.0728 8.3215 119.0026 58.6631 31.9995 179.0696 26 T 3.9886 8.1152 115.8703 66.6001 68.6120 176.7544 27 L 4.0022 8.0519 120.8187 58.1558 41.5713 178.7849 28 F 4.0731 8.5796 120.8618 61.8102 39.1797 177.1424 29 F 4.2767 8.8677 117.3482 60.3571 38.8454 178.1652 30 G 3.7450 8.6584 106.1211 47.7663 0.0000 175.9006 31 S 4.2455 8.6132 117.4375 61.1160 62.7334 176.8538 32 G 3.5397 7.5236 108.5518 47.5479 0.0000 175.2120 33 F 4.4634 8.2566 121.9757 60.8336 39.7558 176.7964 34 A 4.4834 8.7104 120.4974 54.5261 18.2558 179.0673 35 A 4.0213 8.0788 119.8404 55.4033 18.3136 178.0490 36 P 4.1037 0.0000 0.0000 65.6984 31.3245 178.7954 37 F 3.9169 7.9102 116.0084 60.6649 38.8180 177.5843 38 F 3.9521 8.4123 116.7642 60.2214 38.6657 178.0205 39 I 3.8477 8.0231 119.8596 64.1280 36.8660 178.5861 40 V 3.5165 8.0033 119.4286 65.9631 31.3878 178.0647 41 R 3.8261 8.0747 118.5397 59.5850 29.6557 177.8118 42 H 4.1659 8.2319 117.4485 59.6343 30.2946 177.0301 43 Q 4.0457 8.3188 119.7286 58.7752 28.2492 178.6560 44 L 4.1346 7.7442 119.5002 57.1476 41.7459 178.3623 45 L 4.4007 7.6409 116.3754 54.8834 41.7173 177.4901 46 K 4.1905 7.2215 118.8995 57.1882 32.9954 176.6907 47 K 3.9476 7.7058 122.8152 57.2751 32.3441 173.7754 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 4.40 0.00 3.06 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.66 4.38 0.00 3.10 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.51 4.23 0.00 1.98 1.89 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 2.35 2.28 0.00 5 E 8.62 4.66 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 6 G 8.89 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.22 0.00 2.02 2.01 0.00 3.74 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 8.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.07 4.44 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.45 7.81 10 N 7.91 4.92 0.00 2.77 2.85 0.00 0.00 5.83 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 7.12 4.55 0.96 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.29 0.71 0.00 0.00 12 P 0.00 4.38 0.00 2.22 2.19 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 13 F 7.26 4.96 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.50 4.49 0.00 3.83 3.81 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 15 V 7.95 4.46 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.83 0.00 0.00 16 E 8.22 3.95 0.00 1.92 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 2.29 0.00 17 N 7.86 4.90 0.00 2.78 2.66 0.00 0.00 6.92 6.75 0.00 0.00 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 8.42 3.72 0.00 1.51 1.72 0.00 0.88 0.00 0.00 1.09 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.71 0.21 7.81 19 W 7.76 4.44 0.00 3.61 3.29 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 20 R 8.64 4.00 0.00 1.94 1.97 0.00 3.13 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.28 3.96 0.00 1.85 1.68 1.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.90 3.96 0.00 2.02 2.04 1.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.12 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.00 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 25 M 8.32 4.07 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 26 T 8.12 3.99 4.61 0.00 0.00 0.00 0.00 0.00 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 8.05 4.00 0.00 1.93 1.75 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.58 4.07 0.00 2.89 2.80 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 29 F 8.87 4.28 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 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 31 S 8.61 4.25 0.00 3.98 4.17 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 0.00 0.00 0.00 0.00 32 G 7.52 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.26 4.46 0.00 3.08 3.21 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 34 A 8.71 4.48 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.08 4.02 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 36 P 0.00 4.10 0.00 1.60 1.84 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 37 F 7.91 3.92 0.00 3.26 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 3.95 0.00 3.23 3.18 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 0.00 0.00 0.00 0.00 39 I 8.02 3.85 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.91 0.00 0.00 40 V 8.00 3.52 2.23 0.00 0.00 0.00 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 0.81 0.00 0.00 41 R 8.07 3.83 0.00 1.76 1.98 0.00 2.98 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 42 H 8.23 4.17 0.00 3.22 3.52 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.32 4.05 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 44 L 7.74 4.13 0.00 1.76 1.70 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.64 4.40 0.00 1.63 1.69 0.94 0.90 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 46 K 7.22 4.19 0.00 1.94 1.80 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.31 7.81 47 K 7.71 3.95 0.00 1.68 1.62 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.21 7.81