NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8296 8.1976 109.7371 44.0695 0.0000 174.4210 4 I 2.9590 8.9958 113.4952 61.1659 37.8810 173.4187 5 R 4.7705 8.5200 122.9644 53.9733 30.6602 177.2454 6 E 4.2711 8.4493 123.4198 56.0059 31.1551 176.0573 7 K 4.7731 8.4946 120.9430 56.0406 33.5184 176.3980 8 I 4.7318 9.8464 124.3842 59.3705 41.1042 174.9888 9 K 4.7947 8.5451 123.3247 54.8978 33.9544 175.0794 10 L 5.2983 8.9440 127.2738 54.9208 42.3956 176.6608 11 V 4.7255 8.5480 124.4646 61.7980 33.6006 174.9337 12 S 3.7809 8.2767 121.0290 57.6979 62.3986 174.5675 13 S 4.3025 7.8992 119.5312 60.7755 63.3204 174.7903 14 A 4.1888 8.0574 123.8734 51.2385 18.7447 178.4896 15 G 3.8094 8.5845 108.9644 48.1072 0.0000 174.6220 16 T 3.8907 7.4819 110.2532 61.9560 68.9629 174.9694 17 G 3.9698 8.6530 112.3846 46.3220 0.0000 172.9821 18 H 4.6798 8.0024 121.0960 56.4661 31.0053 174.0696 19 F 5.2900 7.9100 116.2875 56.6258 40.4793 172.4285 20 Y 4.4213 9.2686 117.8020 56.5457 41.0678 174.6127 21 T 5.1944 8.0094 114.3448 61.2399 70.2358 172.6861 22 T 4.5089 8.2728 120.7573 62.1195 71.6239 171.3782 23 T 4.7935 8.5000 111.0753 60.1574 71.7931 172.9924 24 K 4.5053 9.0388 122.3703 55.1454 36.3911 174.6214 25 N 5.0523 8.3387 123.2992 51.2917 35.6627 174.8955 26 K 3.8346 8.2914 123.5073 58.9158 32.8481 178.3612 27 R 3.9603 7.9545 116.2740 58.5254 30.0588 177.0301 28 T 4.6610 8.2895 104.5791 60.7236 71.2304 174.2472 29 K 4.8874 7.2246 119.2976 53.2339 31.9043 175.0804 30 P 4.2731 0.0000 0.0000 64.6916 32.0422 177.3279 31 E 3.9546 7.6735 117.9525 55.8980 29.5611 176.1869 32 K 5.0507 8.6007 123.6937 56.1241 32.5130 176.5715 33 L 4.3106 8.5496 127.8764 55.2196 42.8193 175.7461 34 E 5.0742 8.7483 123.3339 55.1992 33.4257 175.1312 35 L 4.3059 8.8996 118.5701 55.2199 44.6834 171.2176 36 K 4.9334 8.6116 127.1948 56.4606 32.3497 175.2041 37 K 4.4539 8.4595 121.5747 55.5491 35.5597 173.7736 38 F 4.6219 8.6545 121.5123 57.5544 40.4892 175.9005 39 D 5.0341 7.1398 126.2708 50.8780 40.5354 174.4851 40 P 4.3085 0.0000 0.0000 65.6285 31.4346 177.9515 41 V 3.5975 7.7783 115.4439 66.4048 31.0876 176.9147 42 V 3.7587 8.2586 117.2348 62.8029 31.6351 176.4725 43 R 4.2855 7.6424 116.3553 57.3880 27.9942 175.4970 44 Q 4.6294 6.9552 116.8140 54.5045 32.6624 173.8046 45 H 4.5710 9.1444 123.1936 57.1668 29.9028 174.7401 46 V 4.2976 8.7485 118.9359 61.6499 34.8080 171.6824 47 I 4.5464 7.7231 121.0514 60.5059 37.6464 175.0817 48 Y 4.4764 8.6191 125.5048 57.2784 39.4233 174.7219 49 K 5.0178 9.1601 125.7046 55.3071 36.2789 174.0079 50 E 3.6455 9.1501 121.4613 57.3579 28.1638 174.8308 51 A 4.3966 8.4167 122.8031 51.7462 20.2684 176.2038 52 K 4.8286 8.1512 119.7495 56.5160 31.6498 176.4935 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 3 G 8.20 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 0.00 0.00 0.00 4 I 9.00 2.96 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 1.42 0.65 0.91 0.00 0.00 5 R 8.52 4.77 0.00 1.69 1.94 0.00 3.29 0.00 0.00 3.08 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 6 E 8.45 4.27 0.00 1.98 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 2.41 2.41 0.00 7 K 8.49 4.77 0.00 1.67 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 8 I 9.85 4.73 1.91 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 1.31 1.24 0.97 0.00 0.00 9 K 8.55 4.79 0.00 1.96 1.95 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 L 8.94 5.30 0.00 1.86 1.91 1.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.55 4.73 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 0.98 0.00 0.00 1.05 0.00 0.00 12 S 8.28 3.78 0.00 3.31 3.75 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 0.00 0.00 0.00 0.00 13 S 7.90 4.30 0.00 3.89 3.96 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 14 A 8.06 4.19 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 15 G 8.58 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 0.00 0.00 0.00 16 T 7.48 3.89 4.25 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 1.17 0.00 0.00 17 G 8.65 3.97 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 0.00 0.00 0.00 18 H 8.00 4.68 0.00 3.24 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.91 5.29 0.00 3.36 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 20 Y 9.27 4.42 0.00 2.67 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 21 T 8.01 5.19 4.23 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 0.00 0.00 0.00 1.16 0.00 0.00 22 T 8.27 4.51 4.25 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 1.23 0.00 0.00 23 T 8.50 4.79 4.32 0.00 0.00 0.00 0.00 0.00 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 24 K 9.04 4.51 0.00 1.81 1.64 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.34 1.40 7.81 25 N 8.34 5.05 0.00 2.87 2.67 0.00 0.00 6.52 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 26 K 8.29 3.83 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.56 7.81 27 R 7.95 3.96 0.00 1.96 1.98 0.00 3.38 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 28 T 8.29 4.66 4.24 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 1.21 0.00 0.00 29 K 7.22 4.89 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.47 7.81 30 P 0.00 4.27 0.00 2.04 2.12 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 31 E 7.67 3.95 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 32 K 8.60 5.05 0.00 1.68 1.84 0.00 1.83 0.00 0.00 2.39 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.25 7.81 33 L 8.55 4.31 0.00 1.66 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.75 5.07 0.00 1.86 1.93 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 2.25 2.34 0.00 35 L 8.90 4.31 0.00 1.70 1.71 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.61 4.93 0.00 2.01 2.08 0.00 1.79 0.00 0.00 2.39 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 K 8.46 4.45 0.00 1.21 1.11 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.21 7.81 38 F 8.65 4.62 0.00 2.76 3.01 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 0.00 0.00 0.00 39 D 7.14 5.03 0.00 2.65 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 40 P 0.00 4.31 0.00 2.09 2.25 0.00 3.14 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.40 0.00 41 V 7.78 3.60 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 0.74 0.00 0.00 0.96 0.00 0.00 42 V 8.26 3.76 1.95 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 0.85 0.00 0.00 0.86 0.00 0.00 43 R 7.64 4.29 0.00 2.01 2.12 0.00 3.24 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 44 Q 6.96 4.63 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 45 H 9.14 4.57 0.00 3.15 3.35 0.00 5.99 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.75 4.30 1.98 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 0.29 0.00 0.00 0.84 0.00 0.00 47 I 7.72 4.55 1.85 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 1.24 1.06 0.94 0.00 0.00 48 Y 8.62 4.48 0.00 2.95 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 49 K 9.16 5.02 0.00 1.82 1.59 0.00 2.05 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 E 9.15 3.65 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 51 A 8.42 4.40 1.35 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 0.00 0.00 52 K 8.15 4.83 0.00 1.79 1.71 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81