NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 I 3.9386 8.0244 121.4531 62.1086 37.3013 172.1004 10 D 3.9958 8.4316 121.6430 53.3167 38.4748 171.1498 11 P 4.2594 0.0000 0.0000 64.7579 32.8639 176.2177 12 R 4.0115 7.8675 119.6227 57.8797 28.8675 176.7760 13 I 4.6660 7.6838 132.2702 62.9342 37.1470 174.8916 14 H 4.6487 7.2057 123.4134 56.2640 27.9579 176.8930 15 Y 3.2592 9.0271 129.3257 58.4772 37.5213 170.6599 16 L 4.2121 9.5144 115.2490 55.4593 42.3761 177.0892 17 V 4.1865 7.1092 118.7999 58.9402 31.2971 173.9815 18 P 4.4597 0.0000 0.0000 62.6646 32.3300 176.0167 19 K 4.2275 8.4892 120.2632 56.6342 33.0340 176.6216 20 H 4.9141 8.4713 124.5484 57.3165 31.5552 174.3150 21 E 4.8972 8.3239 114.5031 56.7120 33.4607 175.6823 22 V 4.3731 8.5181 123.4840 61.7699 32.6903 175.3990 23 L 4.1847 8.3954 128.6786 54.8285 42.3684 177.1861 24 N 4.4481 9.5662 122.9075 53.1607 37.7829 177.5733 25 I 3.1497 7.6425 123.1250 63.9639 38.1236 177.4064 26 D 4.3530 8.4668 120.0037 57.2150 41.2206 177.7616 27 E 4.1126 8.3375 116.3523 58.7829 30.9541 177.8201 28 A 3.7554 8.1594 116.5220 56.1816 17.8110 177.8725 29 Y 3.9466 5.9758 115.9252 58.2100 38.5301 177.0518 30 K 4.2404 7.8175 121.7958 58.4669 32.5923 178.6181 31 I 3.6836 7.9618 120.8552 64.0210 37.0409 178.0456 32 L 3.7650 7.7076 119.4234 57.5960 41.2556 179.2095 33 K 3.7320 7.4379 117.1306 59.7765 32.0784 178.0844 34 E 4.3361 7.5878 115.1353 56.8530 29.5867 176.5929 35 L 4.4952 7.7707 116.9610 54.3346 42.0276 176.8007 36 G 3.8195 7.4396 105.0913 46.2125 0.0000 173.4647 37 I 4.7772 6.9947 108.9767 57.6526 41.0746 174.1749 38 R 4.3976 7.7590 118.9179 53.3309 32.5735 175.5535 39 P 3.6606 0.0000 0.0000 65.4534 31.4088 178.0309 40 E 3.1402 7.6658 117.0104 58.6434 29.5983 177.6649 41 Q 4.1026 7.0512 123.2248 54.7851 28.0864 174.3178 42 L 4.3532 7.8361 121.9318 54.7519 42.7139 173.5282 43 P 4.2606 0.0000 0.0000 64.5900 31.4143 176.4284 44 W 4.1428 9.1062 125.1794 57.6611 31.3266 172.8066 45 I 4.7062 8.3065 121.6449 59.4936 40.6261 173.6974 46 R 4.4681 8.5466 127.0293 55.3843 31.1204 176.0408 47 A 4.1405 8.7655 128.1657 55.6543 18.5465 179.4843 48 S 4.3586 8.0442 107.1113 59.6766 62.9715 174.1819 49 D 4.5507 8.0228 121.6663 53.6206 41.4282 175.3179 50 P 4.4022 0.0000 0.0000 64.9113 31.7456 177.9037 51 V 3.9544 7.7280 117.1647 64.3183 32.0856 177.3056 52 A 4.1104 7.7941 120.1154 54.6545 18.7476 178.9735 53 R 4.0309 7.9057 115.0375 56.5070 30.3101 177.2277 54 S 4.2991 8.0480 111.9977 59.0537 62.4721 175.7801 55 I 3.7297 5.4200 118.2026 62.3964 36.1911 174.5396 56 N 3.8310 6.7755 116.2167 53.3539 34.4507 172.1308 57 A 4.6719 8.0910 123.5767 49.9743 21.1641 176.3838 58 K 4.4048 8.3273 122.6101 54.0413 33.6173 174.3120 59 P 4.3471 0.0000 0.0000 65.4420 29.9294 174.3791 60 G 3.6506 7.1661 117.3959 45.5664 0.0000 172.0143 61 D 4.7929 7.5459 122.5027 51.7673 39.7695 175.1095 62 I 3.8582 8.0544 115.9132 61.5015 38.9146 175.3539 63 I 4.4990 8.5317 124.7412 60.9651 39.0252 174.9110 64 R 4.7980 9.0917 127.7855 54.6173 29.3924 175.0975 65 I 3.8331 8.1458 124.3940 60.9893 38.6645 175.0765 66 I 5.0513 8.1553 125.9586 58.3974 37.4932 175.2256 67 R 4.3067 7.9926 122.7055 55.3744 31.6301 176.6836 68 K 4.6437 8.3698 119.1125 55.5365 33.3741 176.2015 69 S 4.7466 8.1573 113.6239 56.9546 65.4388 174.3126 70 Q 4.5181 8.6454 122.0732 55.9032 29.4133 176.2394 71 L 4.5786 8.1079 117.3992 54.9292 43.5730 175.8422 72 Y 4.8932 9.3520 115.8588 59.8153 40.5083 175.2666 73 G 3.5670 7.1892 109.5109 44.3546 0.0000 172.8455 74 E 5.3420 7.0090 122.8525 56.6005 32.0902 176.2201 75 V 4.6098 7.9084 119.8884 61.8540 35.2419 174.2375 76 V 4.1206 8.2740 127.3177 62.3853 33.4126 173.8915 77 S 4.2444 7.2605 116.8121 58.3006 66.7004 173.6305 78 Y 5.8193 8.1583 118.4611 54.8038 42.1349 175.7083 79 R 4.6885 8.3651 121.8873 55.8345 33.1398 174.7892 80 Y 4.6824 9.2392 133.4793 59.0047 43.6092 172.6006 81 V 4.4399 10.1205 116.8015 64.9835 32.2096 171.0265 82 I 3.9274 7.8680 124.5888 62.0459 37.9131 174.3704 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 9 I 8.02 3.94 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 1.31 1.07 0.93 0.00 0.00 10 D 8.43 4.00 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 4.26 0.00 2.20 2.04 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.07 0.00 12 R 7.87 4.01 0.00 1.86 1.91 0.00 3.30 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 13 I 7.68 4.67 1.78 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 1.19 0.21 0.86 0.00 0.00 14 H 7.21 4.65 0.00 3.38 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.03 3.26 0.00 3.24 2.86 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 16 L 9.51 4.21 0.00 1.74 1.73 1.30 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.11 4.19 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 0.79 0.00 0.00 0.95 0.00 0.00 18 P 0.00 4.46 0.00 2.10 2.09 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 19 K 8.49 4.23 0.00 1.74 1.79 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.46 7.81 20 H 8.47 4.91 0.00 3.01 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.32 4.90 0.00 2.10 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 2.18 2.17 0.00 22 V 8.52 4.37 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 0.82 0.00 0.00 0.96 0.00 0.00 23 L 8.40 4.18 0.00 1.94 1.67 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.57 4.45 0.00 3.08 2.76 0.00 0.00 6.70 7.64 0.00 0.00 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 I 7.64 3.15 1.84 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 1.34 0.73 0.80 0.00 0.00 26 D 8.47 4.35 0.00 2.62 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 27 E 8.34 4.11 0.00 2.17 2.21 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 2.55 2.34 0.00 28 A 8.16 3.76 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 29 Y 5.98 3.95 0.00 2.94 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 30 K 7.82 4.24 0.00 2.08 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.47 7.81 31 I 7.96 3.68 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 0.41 0.00 0.00 32 L 7.71 3.76 0.00 1.66 1.61 0.11 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.44 3.73 0.00 2.02 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 34 E 7.59 4.34 0.00 2.04 1.92 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 2.30 2.26 0.00 35 L 7.77 4.50 0.00 1.66 1.55 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.44 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 6.99 4.78 1.86 0.00 0.00 0.66 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 1.11 0.87 0.00 0.00 38 R 7.76 4.40 0.00 1.73 1.62 0.00 3.12 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 39 P 0.00 3.66 0.00 1.60 1.77 0.00 3.36 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 40 E 7.67 3.14 0.00 1.66 1.80 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 2.20 2.09 0.00 41 Q 7.05 4.10 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 42 L 7.84 4.35 0.00 1.63 1.48 0.60 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.26 0.00 2.36 2.23 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 44 W 9.11 4.14 0.00 3.87 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.31 4.71 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 1.07 0.00 0.00 46 R 8.55 4.47 0.00 1.83 1.83 0.00 3.47 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 47 A 8.77 4.14 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 48 S 8.04 4.36 0.00 3.88 3.93 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 0.00 0.00 0.00 49 D 8.02 4.55 0.00 3.08 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.28 2.17 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 51 V 7.73 3.95 2.10 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 0.88 0.00 0.00 0.93 0.00 0.00 52 A 7.79 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.03 0.00 1.84 2.17 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 54 S 8.05 4.30 0.00 4.13 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 5.42 3.73 1.87 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 1.31 0.81 0.98 0.00 0.00 56 N 6.78 3.83 0.00 2.81 2.96 0.00 0.00 7.05 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 57 A 8.09 4.67 1.27 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 0.00 0.00 0.00 58 K 8.33 4.40 0.00 1.91 1.73 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 59 P 0.00 4.35 0.00 1.98 1.94 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 60 G 7.17 3.65 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 0.00 0.00 0.00 61 D 7.55 4.79 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.05 3.86 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 0.98 0.00 0.00 63 I 8.53 4.50 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 1.09 0.00 0.00 64 R 9.09 4.80 0.00 2.01 1.94 0.00 3.58 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.99 0.00 65 I 8.15 3.83 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.81 0.00 0.00 66 I 8.16 5.05 1.85 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 0.85 1.53 0.92 0.00 0.00 67 R 7.99 4.31 0.00 1.87 2.03 0.00 2.93 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 K 8.37 4.64 0.00 1.73 1.75 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 69 S 8.16 4.75 0.00 3.84 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 70 Q 8.65 4.52 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 71 L 8.11 4.58 0.00 1.60 1.69 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.35 4.89 0.00 2.79 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 73 G 7.19 3.57 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 0.00 0.00 0.00 74 E 7.01 5.34 0.00 2.01 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 0.00 2.06 2.01 0.00 75 V 7.91 4.61 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 0.88 0.00 0.00 1.02 0.00 0.00 76 V 8.27 4.12 1.99 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 0.65 0.00 0.00 0.95 0.00 0.00 77 S 7.26 4.24 0.00 3.80 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.16 5.82 0.00 2.82 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 79 R 8.37 4.69 0.00 1.73 1.38 0.00 3.44 0.00 0.00 3.40 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 80 Y 9.24 4.68 0.00 2.64 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 81 V 10.12 4.44 1.92 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 0.94 0.00 0.00 0.95 0.00 0.00 82 I 7.87 3.93 2.03 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 1.33 1.15 1.00 0.00 0.00