NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4534 8.2493 123.5818 52.2431 21.7803 181.0684 2 K 4.6437 7.6814 122.3848 53.5191 32.6292 176.8609 3 T 4.3231 9.0790 103.1611 61.5898 73.0941 171.4509 4 I 3.2464 7.8514 131.5120 60.6379 36.8900 174.0881 5 K 5.3952 9.4806 129.5567 53.7911 30.1550 176.6668 6 I 4.0119 7.5299 114.9453 62.1189 39.1901 176.5994 7 T 4.9595 8.5320 119.1540 60.7661 72.0003 175.2543 8 Q 3.7540 8.7168 123.8313 58.0086 29.0154 176.1788 9 T 3.2758 7.6964 114.9852 62.6807 66.7969 172.5889 10 R 4.3167 6.3375 120.6980 54.6104 32.3886 176.9219 11 S 4.2927 8.3347 113.0675 57.3207 61.9012 174.5719 12 A 4.3883 8.2499 133.8999 51.7562 16.1839 176.0091 13 I 4.1588 7.7097 123.0923 62.3039 38.7986 177.9537 14 G 4.0669 7.8282 105.9329 45.3746 0.0000 173.8270 15 R 4.3414 7.7480 118.4177 54.8146 31.0839 176.3819 16 L 4.1192 8.4619 118.9539 54.6428 42.4973 176.9741 17 P 4.1950 0.0000 0.0000 65.7521 31.3840 178.1310 18 K 4.2592 7.9649 115.4394 57.8504 32.3993 176.9742 19 H 4.8197 8.3883 115.3092 58.6961 29.5981 176.8399 20 K 3.7303 8.1834 119.3644 59.6996 31.8305 178.6849 21 A 4.0067 7.9039 120.4193 55.5731 18.3618 179.8479 22 T 3.8202 7.7898 107.6530 64.8603 68.5948 175.9550 23 L 3.8840 8.4975 123.7981 57.8453 41.8840 178.9350 24 L 4.0294 8.3357 120.5772 58.0891 41.9150 178.6701 25 G 3.8896 7.6963 104.2656 48.3572 0.0000 175.1423 26 L 4.1313 7.5592 120.6976 55.5704 41.5784 178.6541 27 G 3.8137 8.1397 106.2731 45.2174 0.0000 173.1221 28 L 4.0224 7.3549 119.6994 54.3887 40.8576 176.1980 29 R 4.2893 7.8503 122.8368 57.8401 31.7812 179.4103 30 R 4.2371 7.6092 118.4780 56.2349 31.1258 176.3066 31 I 4.1602 8.2219 110.4564 62.3415 38.2070 176.7677 32 G 4.1063 7.7566 107.6907 45.7706 0.0000 173.0241 33 H 3.5730 8.0413 117.8095 57.6443 30.2858 170.8911 34 T 4.1746 8.3044 125.4139 63.1178 67.5616 171.3140 35 V 4.6159 7.9074 124.8761 59.6984 35.3967 174.5587 36 E 4.5752 8.7251 123.3694 54.4513 29.9295 175.1578 37 R 4.6327 8.5731 132.3482 56.7394 30.4583 177.9180 38 E 4.7424 9.0554 114.0864 56.1751 29.6202 174.4703 39 D 4.5698 9.1340 124.1068 54.9534 44.0248 174.8266 40 T 3.9530 7.5218 115.2407 63.5884 69.0488 173.0743 41 P 4.2125 0.0000 0.0000 66.3411 31.1486 178.0955 42 A 4.0325 8.0293 119.4037 54.5411 18.3667 178.8004 43 I 3.5263 7.7520 115.0912 64.2866 38.0917 178.2324 44 R 3.9876 8.2938 119.4221 59.3105 30.0372 178.7874 45 G 3.5941 8.2737 105.9574 47.9356 0.0000 175.3280 46 M 4.0411 8.4240 120.5952 58.4921 32.2536 178.3490 47 I 3.7231 7.7762 119.4274 64.6407 37.3336 177.5266 48 N 4.1486 8.0716 116.6137 57.0887 38.5167 176.5124 49 A 4.1106 7.6873 120.0024 54.5728 18.7881 179.4463 50 V 4.2351 7.8765 110.7371 61.6200 32.9020 178.3495 51 S 3.8802 7.9656 112.3811 62.5868 62.5856 174.8761 52 F 4.2818 8.4386 120.3161 60.0769 37.6994 176.2290 53 M 3.1864 6.3125 118.0068 57.7234 32.2021 178.7101 54 V 4.3109 7.9585 113.9467 60.0387 34.5764 175.2818 55 K 4.3085 8.5194 123.0113 55.4868 34.4239 175.8106 56 V 3.9610 8.3075 128.1985 62.9129 32.4019 175.3795 57 E 4.4565 8.6283 127.7479 54.1786 31.9694 174.8784 58 E 4.1377 8.7893 124.9940 56.6860 29.5282 177.4200 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 8.25 4.45 1.24 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 0.00 0.00 2 K 7.68 4.64 0.00 1.95 1.17 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.29 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.43 7.81 3 T 9.08 4.32 4.31 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 1.25 0.00 0.00 4 I 7.85 3.25 1.86 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 1.64 0.66 0.90 0.00 0.00 5 K 9.48 5.40 0.00 1.46 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.29 7.81 6 I 7.53 4.01 1.84 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 1.31 1.30 0.89 0.00 0.00 7 T 8.53 4.96 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 8 Q 8.72 3.75 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.02 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 9 T 7.70 3.28 4.46 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 1.19 0.00 0.00 10 R 6.34 4.32 0.00 1.90 1.95 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 11 S 8.33 4.29 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.25 4.39 1.24 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 0.00 0.00 13 I 7.71 4.16 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.92 0.00 0.00 14 G 7.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.75 4.34 0.00 1.88 2.05 0.00 3.36 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 16 L 8.46 4.12 0.00 1.57 1.51 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.19 0.00 2.17 2.11 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 18 K 7.96 4.26 0.00 1.68 1.75 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 19 H 8.39 4.82 0.00 3.50 3.30 0.00 5.70 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 20 K 8.18 3.73 0.00 1.81 1.91 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.57 1.82 7.81 21 A 7.90 4.01 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 22 T 7.79 3.82 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 1.30 0.00 0.00 23 L 8.50 3.88 0.00 1.81 1.84 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.34 4.03 0.00 1.76 1.88 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.70 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.56 4.13 0.00 1.61 1.73 0.88 1.03 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 27 G 8.14 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 28 L 7.35 4.02 0.00 1.68 1.75 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.85 4.29 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.25 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 30 R 7.61 4.24 0.00 1.90 1.92 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 31 I 8.22 4.16 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 1.35 0.56 0.91 0.00 0.00 32 G 7.76 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.04 3.57 0.00 3.21 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.30 4.17 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 V 7.91 4.62 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 0.68 0.00 0.00 0.91 0.00 0.00 36 E 8.73 4.58 0.00 1.99 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 2.22 2.28 0.00 37 R 8.57 4.63 0.00 1.84 0.92 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 38 E 9.06 4.74 0.00 1.92 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 2.20 2.26 0.00 39 D 9.13 4.57 0.00 2.57 2.57 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 0.00 0.00 0.00 0.00 40 T 7.52 3.95 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 41 P 0.00 4.21 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 8.03 4.03 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 43 I 7.75 3.53 1.86 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 1.51 1.19 0.98 0.00 0.00 44 R 8.29 3.99 0.00 2.03 2.10 0.00 3.20 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 45 G 8.27 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.42 4.04 0.00 1.95 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 47 I 7.78 3.72 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.96 0.89 0.00 0.00 48 N 8.07 4.15 0.00 2.80 3.06 0.00 0.00 7.22 8.45 0.00 0.00 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 7.69 4.11 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 50 V 7.88 4.24 1.83 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 0.74 0.00 0.00 0.96 0.00 0.00 51 S 7.97 3.88 0.00 4.09 4.05 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 0.00 0.00 0.00 52 F 8.44 4.28 0.00 3.25 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 53 M 6.31 3.19 0.00 1.63 1.25 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.67 0.00 54 V 7.96 4.31 2.09 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 0.71 0.00 0.00 0.93 0.00 0.00 55 K 8.52 4.31 0.00 1.81 1.61 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.41 7.81 56 V 8.31 3.96 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 0.82 0.00 0.00 0.91 0.00 0.00 57 E 8.63 4.46 0.00 2.06 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 2.26 2.38 0.00 58 E 8.79 4.14 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00