NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5001 8.1444 121.6858 55.8987 40.7076 174.4982 2 L 2.4400 7.6567 115.6588 55.5275 39.2953 171.2691 3 A 4.2398 7.3237 123.1708 51.1084 19.4712 177.0484 4 F 4.6236 5.4600 109.3392 54.1540 40.5205 174.7175 5 R 3.7792 8.0970 119.0228 56.4542 28.9830 177.5698 6 C 4.6245 8.2468 111.9837 56.4038 42.3852 175.7478 7 G 3.5143 7.8774 107.0593 44.7442 0.0000 175.0088 8 R 3.5831 7.7003 120.4905 58.6451 30.4615 177.1587 9 Y 4.6672 6.8200 114.4440 58.6162 38.0507 176.3386 10 S 4.8360 7.9703 116.2504 56.2951 63.0942 173.6935 11 P 4.4200 0.0000 0.0000 64.5816 31.7039 176.1204 12 C 5.0631 7.4099 115.8163 55.5267 42.8867 172.8646 13 L 4.6349 8.3954 117.4232 54.9344 44.1395 176.7459 14 D 4.8198 7.6931 120.6671 52.2813 39.3839 175.4993 15 D 4.7371 9.4969 116.9736 50.4828 42.2006 175.4270 16 G 4.3763 8.4692 110.0814 42.5497 0.0000 169.9219 17 P 4.7771 0.0000 0.0000 62.9102 31.7397 175.5227 18 N 5.2930 8.8920 119.9858 51.1353 43.7787 173.7442 19 V 4.1831 8.3213 120.4512 61.5228 32.2188 175.9524 20 N 3.7095 8.8004 121.9276 52.3941 38.3534 174.7936 21 L 4.4863 7.8175 118.2817 54.8561 42.1807 176.5066 22 Y 4.5592 6.9978 114.3239 58.9128 41.0261 175.9037 23 S 4.7479 8.3265 115.9720 59.1324 63.4742 174.7248 24 C 4.9925 8.8251 120.2750 56.1333 46.7461 175.6708 25 C 5.0904 8.4491 115.5703 57.1463 42.5483 173.3337 26 S 6.0615 8.5573 113.6604 56.1520 63.3410 174.3138 27 F 4.8524 8.9083 124.2654 56.6890 41.2449 172.6551 28 Y 4.6019 7.3573 115.9321 56.6476 40.1507 174.6408 29 N 4.6760 8.0348 123.8494 51.8577 40.6186 173.0467 30 C 4.7346 9.2132 125.9586 56.9950 41.1105 172.8956 31 H 4.7398 9.2692 124.3876 54.5758 31.4419 173.2303 32 K 3.4780 8.7263 131.5213 57.9170 31.9634 176.6609 33 C 4.6496 8.5078 109.5351 55.2591 43.5149 173.6317 34 L 4.4162 7.9788 120.4573 53.7774 45.1154 173.3813 35 A 5.4411 8.1154 128.2377 49.1291 19.7915 174.2053 36 R 3.9847 8.0496 121.1501 56.3218 31.3274 175.8880 37 L 5.3151 8.2226 126.0756 54.2243 43.4575 176.6429 38 E 4.6212 8.9756 118.7637 54.7030 32.8707 174.3546 39 N 5.8284 8.7802 123.8751 52.9482 39.8090 175.5559 40 C 4.7604 8.9024 123.5049 55.6473 39.9950 171.5521 41 P 4.3590 0.0000 0.0000 63.5260 31.8802 175.9081 42 K 3.6536 8.7290 118.6978 59.2443 30.5865 175.3580 43 G 4.0336 7.9148 101.5144 46.4722 0.0000 172.5297 44 L 4.4278 7.2100 116.4755 53.6751 44.7694 176.9020 45 H 5.5593 8.7972 120.4316 54.2672 32.1731 173.1287 46 Y 4.1649 8.6050 125.4682 57.0015 39.7360 175.2856 47 N 4.5655 9.3317 126.3227 52.2386 37.5393 174.8695 48 A 4.0401 8.5431 127.8302 54.7657 18.6958 178.1250 49 Y 4.4427 8.0539 114.8141 59.3761 39.5309 175.7129 50 L 4.4898 8.5052 117.4116 53.6807 44.0327 176.3253 51 K 4.0965 8.4037 117.4149 57.4417 31.1488 174.7654 52 V 4.5189 7.1664 110.3905 59.6096 35.2837 173.5968 53 C 4.8888 8.0103 118.4022 55.6634 43.8761 172.9205 54 D 4.4211 8.8703 118.9373 53.3958 45.1424 175.6177 55 W 4.9346 8.2313 123.8727 56.2482 30.2407 175.2988 56 P 4.5742 0.0000 0.0000 64.6313 31.1119 177.2669 57 S 4.5464 8.1772 112.5438 58.9758 63.5709 174.6533 58 K 4.4071 8.0462 119.6486 57.7656 34.0469 177.4374 59 A 4.3143 8.4269 119.1274 52.2738 18.2728 177.1747 60 G 3.7930 7.4708 101.9835 46.2740 0.0000 171.1587 61 C 4.4678 8.3699 123.0941 55.9458 42.9136 172.7714 62 T 4.5127 8.1760 115.7607 61.1552 68.8112 174.8182 63 S 4.1960 7.8238 118.0576 58.5214 63.4273 174.3192 64 V 3.3754 8.1941 125.0673 65.6005 31.1475 175.4861 65 N 4.6710 8.0185 118.7122 51.9235 37.6780 174.2239 66 K 4.1649 8.3596 125.4623 58.6890 32.7769 178.3411 67 E 4.3252 7.7404 118.5307 54.8826 27.3602 175.7777 68 C 4.1616 8.1434 122.2397 59.0695 42.9757 175.2759 69 H 4.6376 7.2536 117.4139 55.8172 25.9169 175.1521 70 L 4.4973 6.6609 116.8658 54.8087 44.4100 176.7571 71 W 5.0130 6.8375 114.2156 55.8451 30.0737 174.4813 72 K 4.4423 8.7105 115.5929 56.0642 31.6453 175.9445 73 T 3.8865 8.5652 116.4388 62.2967 68.2701 171.8994 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 Y 8.14 4.50 0.00 2.88 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 2.44 0.00 1.48 1.12 -0.29 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.32 4.24 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.46 4.62 0.00 3.13 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 5 R 8.10 3.78 0.00 1.68 1.87 0.00 3.21 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 6 C 8.25 4.62 0.00 3.09 3.17 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 7 G 7.88 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.58 0.00 1.38 1.25 0.00 3.09 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.00 9 Y 6.82 4.67 0.00 3.11 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 10 S 7.97 4.84 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.37 2.29 0.00 3.59 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.84 0.00 12 C 7.41 5.06 0.00 2.97 3.04 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 13 L 8.40 4.63 0.00 1.60 1.71 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.69 4.82 0.00 2.73 2.32 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 0.00 15 D 9.50 4.74 0.00 2.77 2.65 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 16 G 8.47 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.78 0.00 2.47 2.43 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 18 N 8.89 5.29 0.00 2.47 2.66 0.00 0.00 6.49 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.32 4.18 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 0.71 0.00 0.00 0.99 0.00 0.00 20 N 8.80 3.71 0.00 2.52 2.77 0.00 0.00 6.30 8.08 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 21 L 7.82 4.49 0.00 1.81 1.51 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.00 4.56 0.00 3.12 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 23 S 8.33 4.75 0.00 4.28 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 24 C 8.83 4.99 0.00 3.09 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 25 C 8.45 5.09 0.00 3.09 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 6.06 0.00 4.16 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.91 4.85 0.00 3.13 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 28 Y 7.36 4.60 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 29 N 8.03 4.68 0.00 2.93 2.65 0.00 0.00 6.79 7.15 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 30 C 9.21 4.73 0.00 3.04 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 31 H 9.27 4.74 0.00 3.10 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.73 3.48 0.00 1.92 1.39 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 C 8.51 4.65 0.00 2.95 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 34 L 7.98 4.42 0.00 1.42 1.20 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.12 5.44 1.06 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 0.00 0.00 36 R 8.05 3.98 0.00 1.86 1.79 0.00 3.13 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 37 L 8.22 5.32 0.00 1.48 1.73 0.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.98 4.62 0.00 1.64 1.84 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 2.53 2.43 0.00 39 N 8.78 5.83 0.00 2.88 2.82 0.00 0.00 7.51 7.75 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 40 C 8.90 4.76 0.00 3.03 2.81 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 41 P 0.00 4.36 0.00 2.11 2.10 0.00 3.65 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 1.88 1.82 0.00 42 K 8.73 3.65 0.00 1.71 1.49 0.00 1.95 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.43 7.81 43 G 7.91 4.03 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 0.00 0.00 0.00 44 L 7.21 4.43 0.00 1.53 1.30 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.80 5.56 0.00 3.27 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.60 4.16 0.00 3.15 2.92 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 47 N 9.33 4.57 0.00 2.67 2.74 0.00 0.00 6.71 8.59 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 48 A 8.54 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.05 4.44 0.00 2.93 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 50 L 8.51 4.49 0.00 1.67 1.51 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.40 4.10 0.00 1.92 1.88 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 52 V 7.17 4.52 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 53 C 8.01 4.89 0.00 2.38 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.87 4.42 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.23 4.93 0.00 3.39 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.27 2.29 0.00 4.35 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 57 S 8.18 4.55 0.00 4.01 4.03 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 58 K 8.05 4.41 0.00 2.04 1.91 0.00 1.96 0.00 0.00 2.09 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.53 7.81 59 A 8.43 4.31 1.34 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 0.00 0.00 60 G 7.47 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.37 4.47 0.00 2.87 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 62 T 8.18 4.51 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 1.21 0.00 0.00 63 S 7.82 4.20 0.00 4.02 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 64 V 8.19 3.38 1.58 0.00 0.00 0.00 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 0.55 0.00 0.00 65 N 8.02 4.67 0.00 2.77 2.93 0.00 0.00 7.29 5.92 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 66 K 8.36 4.16 0.00 1.77 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.34 7.81 67 E 7.74 4.33 0.00 1.72 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 0.00 2.25 2.07 0.00 68 C 8.14 4.16 0.00 3.27 3.49 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 0.00 69 H 7.25 4.64 0.00 3.31 3.40 0.00 5.50 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 6.66 4.50 0.00 0.43 1.05 0.68 0.76 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 71 W 6.84 5.01 0.00 3.52 3.32 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 0.00 72 K 8.71 4.44 0.00 1.80 1.85 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.51 7.81 73 T 8.57 3.89 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 1.23 0.00 0.00