NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5858 8.3649 120.1940 54.3826 41.8006 176.3270 6 C 4.5621 8.7093 116.1395 55.6736 40.9736 171.3468 7 C 4.6490 10.3417 123.2029 57.0050 41.2577 173.4744 8 L 4.2477 8.5780 123.0389 54.6374 43.3131 176.3595 9 G 4.0909 7.7206 105.0051 43.6521 0.0000 170.9514 10 Y 5.2145 7.9635 116.4404 55.8824 40.3243 176.2511 11 T 4.1155 8.7756 118.7159 62.4724 67.9433 173.7852 12 D 4.6815 8.5744 125.0507 54.9174 41.8133 176.8223 13 R 4.0357 8.1558 117.7605 56.5751 30.6567 176.2065 14 I 2.5796 7.4312 120.0002 58.7539 38.8387 175.7711 15 L 4.0778 6.4719 125.4256 54.0502 42.5370 176.7312 16 H 4.2676 8.5201 121.8633 55.1886 30.2291 174.6644 17 P 4.2048 0.0000 0.0000 65.5965 31.1906 177.7452 18 K 4.1626 8.2700 115.6209 56.9310 32.5543 177.0167 19 F 4.6609 8.4907 122.0086 58.9177 39.8103 174.7674 20 I 4.6000 7.0257 113.5310 59.8232 38.8407 175.9824 21 V 4.1899 8.6745 115.8150 60.6353 32.7857 176.0124 22 G 4.0442 7.4318 106.7813 46.7915 0.0000 171.0280 23 F 5.0927 7.8224 112.1947 56.4595 40.4713 173.4736 24 T 4.7423 9.0352 116.4909 61.6688 72.1071 173.1527 25 R 4.9420 8.6071 121.3317 54.7789 31.5190 175.0102 26 Q 4.6094 9.1413 125.1868 54.3616 31.2655 173.8801 27 L 5.1467 8.3727 125.6060 52.7714 44.9744 175.8161 28 A 4.2981 10.6000 125.9485 53.2275 17.2379 177.2062 29 N 5.1028 8.0955 130.1771 55.6674 38.7197 174.0061 30 E 4.8351 7.1909 118.9321 54.8048 31.7263 176.4196 31 G 3.7789 8.7656 107.6943 49.3281 0.0000 174.5876 32 C 4.6920 7.3873 115.1113 56.0287 41.3586 173.4838 33 D 4.3511 8.5041 121.0334 56.3539 40.8400 176.5599 34 I 4.8167 7.2639 109.9477 58.9364 41.1081 174.7057 35 N 5.0871 8.7779 119.6686 53.0605 39.6382 174.5794 36 A 4.8108 8.9844 122.7513 51.0073 23.6059 174.9303 37 I 4.4838 8.3852 121.1374 59.6348 39.6126 174.9698 38 I 4.7089 8.5231 128.8669 59.5102 38.9506 174.9826 39 F 4.9782 8.9755 127.5084 57.5657 40.4753 174.5176 40 H 5.4618 9.1673 120.8855 54.5980 30.7241 174.5315 41 T 4.5908 8.4701 113.1505 59.3881 71.5826 175.3907 42 K 4.0408 7.4956 120.3443 58.1761 32.1030 178.3750 43 K 4.2813 7.4307 117.7943 55.7456 32.0444 176.4472 44 K 3.8117 7.9332 118.9977 57.7103 30.9958 174.7560 45 L 4.9619 7.6597 114.5530 52.5760 45.4528 175.3862 46 S 5.3845 8.4840 114.9947 56.8574 66.1297 173.8985 47 V 4.5373 9.0994 123.5652 61.3565 34.0818 173.7246 48 C 5.1563 8.9953 125.2271 56.5226 42.3045 172.5076 49 A 5.0953 9.0726 124.3623 49.9228 23.1795 174.9546 50 N 3.1400 8.1758 118.3871 51.7877 38.8079 174.3192 51 P 4.0072 0.0000 0.0000 65.1080 31.5111 177.7122 52 K 4.1238 8.1086 116.0425 57.4163 32.7178 177.7535 53 Q 4.2606 7.6677 119.3934 55.2613 30.7454 176.9003 54 T 3.8614 8.4397 120.7930 66.5531 68.5579 176.9568 55 W 4.4381 8.3108 118.1994 59.5645 28.0394 178.4735 56 V 2.8673 6.6997 118.3707 65.5633 31.0399 178.0255 57 K 3.8770 7.6701 118.0392 59.4427 31.7192 178.8436 58 Y 4.3580 8.0966 119.8379 60.9513 38.8042 177.8071 59 I 3.5250 8.1125 121.0767 64.3206 37.0687 178.6661 60 V 3.5523 7.6325 118.6377 65.9825 31.3616 178.1395 61 R 3.9182 8.0534 118.5203 59.3136 29.8957 178.4637 62 L 3.9414 8.1160 119.1802 57.5245 41.5550 179.2715 63 L 3.9586 7.9816 120.5016 58.2906 42.0855 179.2670 64 S 4.2618 8.4139 114.2951 61.2787 62.9025 176.5917 65 K 3.9907 8.1987 122.3124 59.1939 31.5518 179.3421 66 K 3.9568 7.8190 117.8606 59.5269 32.0563 179.2340 67 V 3.8038 7.7639 119.8614 66.5014 31.5210 178.4031 68 K 4.1502 8.1783 125.2036 60.2755 31.5601 179.6244 69 N 4.9003 7.9806 123.4758 54.6204 37.8140 177.1299 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 5 D 8.36 4.59 0.00 2.66 2.46 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 6 C 8.71 4.56 0.00 3.00 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 7 C 10.34 4.65 0.00 3.04 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 8 L 8.58 4.25 0.00 1.57 1.63 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.72 4.09 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 0.00 0.00 0.00 10 Y 7.96 5.21 0.00 3.03 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 11 T 8.78 4.12 4.49 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 1.66 0.00 0.00 12 D 8.57 4.68 0.00 2.73 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 13 R 8.16 4.04 0.00 1.78 1.71 0.00 3.18 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 14 I 7.43 2.58 1.46 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.17 0.44 0.00 0.00 15 L 6.47 4.08 0.00 1.55 1.60 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.52 4.27 0.00 3.07 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.20 0.00 2.18 2.16 0.00 3.40 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 18 K 8.27 4.16 0.00 1.78 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.52 7.81 19 F 8.49 4.66 0.00 2.97 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.03 4.60 1.94 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 1.40 0.81 0.72 0.00 0.00 21 V 8.67 4.19 2.07 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 0.66 0.00 0.00 0.99 0.00 0.00 22 G 7.43 4.04 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 0.00 0.00 0.00 23 F 7.82 5.09 0.00 2.73 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 24 T 9.04 4.74 4.27 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 1.22 0.00 0.00 25 R 8.61 4.94 0.00 1.83 2.06 0.00 3.19 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 26 Q 9.14 4.61 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 27 L 8.37 5.15 0.00 1.61 1.52 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 A 10.60 4.30 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 5.10 0.00 2.78 2.89 0.00 0.00 7.14 7.65 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 30 E 7.19 4.84 0.00 2.08 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 2.24 2.23 0.00 31 G 8.77 3.78 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 0.00 0.00 0.00 32 C 7.39 4.69 0.00 3.03 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 33 D 8.50 4.35 0.00 2.65 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 34 I 7.26 4.82 1.88 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.86 0.00 0.00 35 N 8.78 5.09 0.00 2.67 2.79 0.00 0.00 6.66 7.35 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 36 A 8.98 4.81 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.39 4.48 1.27 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.55 -0.17 0.00 0.00 38 I 8.52 4.71 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.95 0.00 0.00 39 F 8.98 4.98 0.00 3.19 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 40 H 9.17 5.46 0.00 3.13 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.47 4.59 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 1.16 0.00 0.00 42 K 7.50 4.04 0.00 1.78 1.91 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.43 7.81 43 K 7.43 4.28 0.00 1.84 1.93 0.00 2.12 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.72 7.81 44 K 7.93 3.81 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.38 7.81 45 L 7.66 4.96 0.00 1.75 1.57 0.99 0.85 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 46 S 8.48 5.38 0.00 3.78 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 47 V 9.10 4.54 2.38 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 1.35 0.00 0.00 1.12 0.00 0.00 48 C 9.00 5.16 0.00 3.06 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 49 A 9.07 5.10 1.18 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 0.00 0.00 50 N 8.18 3.14 0.00 2.16 2.58 0.00 0.00 6.99 7.71 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 51 P 0.00 4.01 0.00 1.94 1.94 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 52 K 8.11 4.12 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 53 Q 7.67 4.26 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 54 T 8.44 3.86 4.30 0.00 0.00 0.00 0.00 0.00 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 55 W 8.31 4.44 0.00 3.61 3.36 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 56 V 6.70 2.87 1.67 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 0.63 0.00 0.00 -0.59 0.00 0.00 57 K 7.67 3.88 0.00 1.97 1.81 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 58 Y 8.10 4.36 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 59 I 8.11 3.52 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.72 0.00 0.00 60 V 7.63 3.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.27 0.00 0.00 61 R 8.05 3.92 0.00 2.14 2.14 0.00 3.20 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 62 L 8.12 3.94 0.00 1.69 1.57 0.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.98 3.96 0.00 1.96 1.94 0.98 1.14 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 64 S 8.41 4.26 0.00 4.16 4.34 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 65 K 8.20 3.99 0.00 2.09 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.70 7.81 66 K 7.82 3.96 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.60 7.81 67 V 7.76 3.80 2.25 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 0.79 0.00 0.00 0.97 0.00 0.00 68 K 8.18 4.15 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.34 7.81 69 N 7.98 4.90 0.00 2.85 2.61 0.00 0.00 6.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00