NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6926 8.2827 119.2062 53.1461 39.2708 174.4028 2 E 3.6572 8.6874 126.7950 58.3697 30.3481 177.8469 3 C 4.1922 8.8704 119.4733 60.1062 45.6002 175.5919 4 V 3.8250 8.3177 119.8132 65.6148 30.8165 178.0641 5 S 4.1167 8.0579 114.1472 61.4507 62.7755 176.1930 6 K 4.1204 8.0439 118.8690 56.9140 31.9054 177.8214 7 G 3.6472 7.8458 107.9717 44.8471 0.0000 173.3833 8 F 5.2207 7.9013 120.0267 56.0821 42.4642 174.5840 9 G 4.3963 8.4426 104.8506 46.0215 0.0000 171.7528 10 C 5.3174 8.7343 118.4728 56.3548 36.8952 173.2471 11 L 4.9771 8.9702 121.7109 52.1802 46.3812 174.0386 12 P 4.4499 0.0000 0.0000 63.1134 32.2742 177.2973 13 Q 3.9960 9.1228 122.4817 59.3021 28.8090 179.6970 14 S 4.2016 8.1239 110.4828 60.5629 62.9705 174.3894 15 D 4.7104 8.1952 119.0703 53.9978 41.3229 175.3734 16 C 4.7523 7.8809 118.6652 53.7916 42.7943 171.7865 17 P 4.5900 0.0000 0.0000 62.0059 32.0758 177.7549 18 Q 4.0048 8.7755 119.4207 59.3101 28.7315 179.2277 19 E 3.9098 8.1898 116.6293 58.3286 30.0102 176.8710 20 A 4.4399 8.2145 120.6840 52.2570 19.7451 177.2326 21 R 4.5017 7.4372 115.0558 55.7488 30.7904 175.9876 22 L 4.6284 8.2154 120.4457 52.8383 44.9393 177.2336 23 S 4.2742 7.9081 114.0463 59.1663 63.6616 174.3441 24 Y 4.4673 7.1455 119.4685 58.3061 38.2136 176.3320 25 G 3.8993 9.1104 113.2365 44.7636 0.0000 173.8894 26 G 3.9906 8.7530 106.2215 45.5037 0.0000 174.7620 27 C 4.8801 7.8393 116.4721 55.4270 41.8647 174.1875 28 S 4.2117 8.6764 119.6603 60.8717 64.1703 175.0007 29 T 4.6046 7.4405 105.6831 61.4022 67.4682 177.9393 30 V 4.5824 7.8809 111.6220 59.1434 35.8553 172.6687 31 C 4.7752 8.7455 124.0057 56.8097 41.6068 172.6714 32 C 5.3536 9.3350 125.8001 54.8576 48.1078 172.8486 33 D 5.0372 9.1670 125.6636 52.9672 39.8723 176.8456 34 L 4.1816 8.4782 127.3396 56.9861 42.0086 179.6898 35 S 4.3126 7.9614 112.7241 60.2446 62.9214 175.1051 36 K 4.3149 7.9239 119.2828 56.7622 32.4237 176.9862 37 L 4.3315 7.5499 119.3753 54.4536 42.2513 176.0235 38 T 4.5666 8.0876 110.3054 60.5247 71.9704 174.2858 39 G 3.9955 8.3488 106.8959 45.2620 0.0000 173.9919 40 C 4.2026 8.4359 118.0297 59.5188 43.3093 175.7683 41 K 4.0970 7.6936 119.6982 58.7447 31.9372 178.9208 42 G 3.6816 8.1223 106.3647 47.9657 0.0000 173.9432 43 K 4.2831 7.7348 117.5525 56.0677 32.1255 177.2190 44 G 3.8359 8.3252 107.1001 45.4184 0.0000 173.8106 45 G 4.0468 7.9532 108.0575 44.5491 0.0000 172.4916 46 E 4.9873 9.0657 119.8326 54.3487 33.1815 173.9644 47 C 4.9767 8.9767 124.5963 57.2957 37.9285 172.6547 48 N 5.4251 9.4073 120.7889 50.3473 43.1433 172.2448 49 P 4.7950 0.0000 0.0000 62.7902 32.1376 177.3976 50 L 4.0215 8.2313 121.8899 57.9423 41.6405 178.2899 51 D 4.5601 7.9625 115.2617 53.8071 39.8934 176.1351 52 R 4.1153 7.8326 122.0505 55.9333 30.5386 175.4955 53 Q 4.1803 8.7416 127.2911 56.1250 29.5741 173.4171 54 C 4.7834 8.2466 118.3466 54.6441 45.6007 173.3495 55 K 4.2821 8.1301 118.5569 55.2908 32.3799 175.9282 56 E 4.3648 8.5371 126.8764 55.4739 30.9071 176.6555 57 L 4.3555 8.8991 129.6839 53.4739 41.1794 176.5919 58 Q 4.1355 8.3326 123.9430 58.4599 28.6386 177.8164 59 A 4.1416 7.9708 120.0042 53.9071 18.6920 178.1026 60 E 4.4716 8.0811 115.6860 56.4224 30.3113 178.0644 61 S 4.1651 7.8456 116.2212 61.5437 62.7582 176.1659 62 A 4.0407 8.0690 123.2160 55.1339 17.8703 179.4014 63 S 4.1968 7.7012 111.3403 61.0345 63.1908 175.4762 64 C 4.4732 8.0415 119.6890 57.2175 38.1858 174.2456 65 G 3.9211 7.6725 106.4181 44.0739 0.0000 172.4442 66 K 4.0125 8.1644 119.7414 57.9606 32.3382 176.8533 67 G 3.9706 9.2137 113.5194 45.4420 0.0000 172.0485 68 Q 5.1910 7.8249 117.2713 53.8594 32.8274 174.3525 69 K 4.6473 9.1788 119.1505 55.7326 37.2135 174.2006 70 C 5.0479 8.9680 121.2538 55.6494 41.2117 171.6084 71 C 5.0415 8.7960 124.3576 55.1382 42.6032 173.0730 72 V 4.4104 7.8273 122.2877 60.8305 32.9252 174.9949 73 W 4.8576 8.5463 128.1905 55.7580 30.2195 176.4166 74 L 4.3942 8.7308 121.9398 54.9188 41.4636 176.2717 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 N 8.28 4.69 0.00 2.75 2.82 0.00 0.00 6.70 6.77 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 2 E 8.69 3.66 0.00 2.15 2.19 0.00 0.00 0.00 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 2.31 0.00 3 C 8.87 4.19 0.00 3.22 3.39 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 4 V 8.32 3.82 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 1.11 0.00 0.00 0.96 0.00 0.00 5 S 8.06 4.12 0.00 3.95 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 6 K 8.04 4.12 0.00 1.63 1.70 0.00 1.30 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 0.37 7.81 7 G 7.85 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 8 F 7.90 5.22 0.00 3.28 3.29 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 9 G 8.44 4.40 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 0.00 10 C 8.73 5.32 0.00 2.90 3.05 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 11 L 8.97 4.98 0.00 1.54 1.50 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.45 0.00 2.08 1.99 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 13 Q 9.12 4.00 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 14 S 8.12 4.20 0.00 3.98 4.01 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 15 D 8.20 4.71 0.00 2.77 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 4.75 0.00 2.91 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 17 P 0.00 4.59 0.00 2.21 1.94 0.00 3.67 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 2.11 2.10 0.00 18 Q 8.78 4.00 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 19 E 8.19 3.91 0.00 1.91 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 0.00 2.27 2.24 0.00 20 A 8.21 4.44 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.44 4.50 0.00 1.92 1.81 0.00 3.25 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 22 L 8.22 4.63 0.00 1.38 1.01 -0.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.91 4.27 0.00 3.84 3.80 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 0.00 0.00 0.00 24 Y 7.15 4.47 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.75 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 0.00 0.00 0.00 27 C 7.84 4.88 0.00 2.99 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 28 S 8.68 4.21 0.00 3.87 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 29 T 7.44 4.60 4.37 0.00 0.00 0.00 0.00 0.00 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 30 V 7.88 4.58 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 0.72 0.00 0.00 0.97 0.00 0.00 31 C 8.75 4.78 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 32 C 9.33 5.35 0.00 2.99 2.89 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 33 D 9.17 5.04 0.00 2.47 2.53 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 34 L 8.48 4.18 0.00 1.87 1.75 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.96 4.31 0.00 3.98 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 36 K 7.92 4.31 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 37 L 7.55 4.33 0.00 1.77 1.60 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.09 4.57 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 39 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.20 0.00 3.08 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 41 K 7.69 4.10 0.00 1.84 1.81 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.43 7.81 42 G 8.12 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.28 0.00 1.69 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.67 7.81 44 G 8.33 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.95 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 0.00 0.00 0.00 46 E 9.07 4.99 0.00 2.11 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 2.32 2.38 0.00 47 C 8.98 4.98 0.00 2.92 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 48 N 9.41 5.43 0.00 2.59 2.75 0.00 0.00 6.37 7.89 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 49 P 0.00 4.79 0.00 2.29 2.20 0.00 3.79 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 2.12 2.04 0.00 50 L 8.23 4.02 0.00 1.61 1.80 0.92 1.21 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 51 D 7.96 4.56 0.00 2.78 2.80 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 0.00 0.00 0.00 52 R 7.83 4.12 0.00 1.91 2.08 0.00 3.48 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 53 Q 8.74 4.18 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 54 C 8.25 4.78 0.00 2.22 2.91 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 0.00 0.00 0.00 55 K 8.13 4.28 0.00 1.55 1.71 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.35 7.81 56 E 8.54 4.36 0.00 1.90 1.77 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 2.30 2.37 0.00 57 L 8.90 4.36 0.00 1.57 1.48 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.33 4.14 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 59 A 7.97 4.14 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 60 E 8.08 4.47 0.00 1.95 2.02 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 2.22 2.44 0.00 61 S 7.85 4.17 0.00 4.00 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 62 A 8.07 4.04 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 63 S 7.70 4.20 0.00 3.98 4.01 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 64 C 8.04 4.47 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 3.92 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 0.00 0.00 0.00 66 K 8.16 4.01 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 67 G 9.21 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 68 Q 7.82 5.19 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 69 K 9.18 4.65 0.00 1.81 1.83 0.00 1.25 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.33 7.81 70 C 8.97 5.05 0.00 3.11 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 71 C 8.80 5.04 0.00 2.32 1.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 4.41 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 73 W 8.55 4.86 0.00 3.35 3.05 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 74 L 8.73 4.39 0.00 1.67 1.58 0.92 0.87 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