NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3896 8.3344 115.2898 57.7603 63.0867 175.2181 3 I 4.4120 8.6539 112.0715 56.9181 40.9485 172.9138 4 S 4.1513 8.9973 122.3009 60.6716 64.2169 174.1468 5 A 4.0020 7.9335 124.1005 52.5172 18.1430 177.5610 6 R 4.0040 8.6498 122.2204 57.9918 30.7084 176.1499 7 N 4.8274 7.8418 115.5538 51.6963 40.2659 174.3722 8 Q 4.7570 8.6413 123.0517 54.1357 31.7743 174.8265 9 L 4.6398 8.9157 125.7725 52.5506 43.6953 176.4796 10 K 4.5727 8.6736 124.4661 56.6382 33.6356 176.7364 11 G 4.2321 8.9329 110.5242 45.6783 0.0000 171.5026 12 K 5.2067 8.5050 118.4512 54.5748 35.8006 175.9667 13 V 4.2297 8.7463 123.5472 63.4572 32.0534 176.4316 14 V 4.4414 8.4555 120.1544 60.1429 33.4025 175.9030 15 G 4.3022 7.8026 107.0547 44.7139 0.0000 172.2313 16 L 5.0272 8.2292 124.7047 53.6200 45.4396 174.4498 17 K 4.5483 9.2332 127.4995 54.7263 35.2739 174.7386 18 K 4.6371 8.8799 127.1277 55.2092 33.3973 177.1379 19 G 4.2267 8.7749 115.3616 45.1035 0.0000 173.4297 20 V 4.0181 8.4277 117.8708 63.8287 32.8022 177.5392 21 V 4.3510 7.7187 118.5091 63.3189 34.0903 175.0673 22 T 5.2752 7.7387 108.6022 59.8172 72.8637 172.4006 23 A 5.0495 9.1580 121.7160 50.4508 23.2089 174.6112 24 E 4.9782 9.3181 121.7786 54.4527 32.0838 174.9115 25 V 4.7816 8.9244 126.8613 61.0440 35.0043 173.9846 26 V 4.8238 8.7903 127.8184 61.1587 33.7984 174.0403 27 L 5.2123 9.0029 128.0953 52.9486 44.8349 174.9299 28 E 4.8909 9.2120 125.2064 55.0973 30.9373 175.6487 29 I 4.7924 8.8322 121.5391 58.1987 40.7996 174.9695 30 A 3.9248 8.4184 124.4825 53.7405 18.5154 178.2391 31 G 3.8236 8.8579 107.8183 45.3704 0.0000 174.8794 32 G 3.9423 7.7958 107.2396 45.0120 0.0000 173.8341 33 N 4.6747 7.7808 116.9736 53.0832 39.9696 174.0284 34 K 5.1367 8.5145 119.9513 54.6984 35.4598 175.4355 35 I 4.6137 8.8566 123.2926 59.5993 41.3097 173.8805 36 T 5.0813 8.6085 125.3514 61.9560 70.5368 173.7516 37 S 4.7639 9.2659 120.3410 56.4582 66.0784 172.5426 38 I 5.0256 8.4409 126.6984 59.6511 39.0817 174.6074 39 I 4.8634 8.6071 120.2653 58.4824 41.8146 174.9655 40 S 4.6754 8.4561 116.2933 57.7848 63.8425 175.0903 41 L 3.9778 8.7700 124.7543 58.4823 41.7581 179.2232 42 D 4.4007 8.1034 118.4662 57.5206 40.7752 178.8418 43 S 4.1476 7.9571 115.4077 61.3766 62.8194 176.6896 44 V 3.6035 7.5431 120.6447 66.2086 31.0994 178.0440 45 E 3.9860 8.2420 118.2217 59.3002 29.0972 178.8744 46 E 3.9462 8.1089 118.4641 58.9867 29.8351 178.1672 47 L 4.3502 8.0070 116.5276 54.0747 42.2431 176.7516 48 G 3.8363 7.7406 106.7862 45.9849 0.0000 174.4651 49 V 3.6236 7.6542 119.4999 62.8049 32.1960 175.0132 50 K 4.5114 8.2738 123.8370 55.4252 35.1349 174.5209 51 E 4.2379 8.6007 119.0516 58.5143 29.6609 178.6318 52 G 4.0093 9.1247 112.2724 45.0041 0.0000 173.7559 53 A 4.1334 7.8417 122.2093 52.1837 19.6755 176.4554 54 E 4.8319 8.6759 121.2117 55.4859 30.6365 175.5251 55 L 4.9377 8.9576 123.9276 53.4425 47.1141 175.1802 56 T 5.0275 8.3559 115.3012 61.8781 71.2408 173.9877 57 A 4.3723 9.0785 129.2335 51.2723 20.1905 176.1333 58 V 4.8341 8.4011 122.2706 61.0410 33.6151 174.8409 59 V 4.4913 8.7320 127.6494 60.7467 34.7193 175.1131 60 K 4.2128 8.6707 127.0448 56.2279 32.9682 178.2268 61 S 4.1152 8.7667 118.8996 61.9525 62.9092 176.4537 62 T 4.0974 7.8627 107.9256 63.3142 68.6611 174.3334 63 D 4.6394 8.1200 121.6473 54.1310 41.3269 176.0369 64 V 4.1278 7.4788 120.5859 61.5757 32.1678 175.3180 65 M 4.5062 8.3938 126.7257 54.2242 33.5039 175.3423 66 I 4.4519 8.0702 121.0275 59.3535 39.6679 174.9252 67 L 4.5666 8.5135 126.2423 53.1437 43.8257 175.8240 68 A 4.3227 8.5706 127.6297 52.3143 19.1534 176.2839 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 2 S 8.33 4.39 0.00 3.85 3.53 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 3 I 8.65 4.41 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 1.47 1.18 0.91 0.00 0.00 4 S 9.00 4.15 0.00 4.02 3.98 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 A 7.93 4.00 1.32 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 0.00 0.00 6 R 8.65 4.00 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 7 N 7.84 4.83 0.00 2.86 2.74 0.00 0.00 6.58 8.02 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 8 Q 8.64 4.76 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 9 L 8.92 4.64 0.00 1.54 1.58 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.67 4.57 0.00 1.71 1.72 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 11 G 8.93 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 0.00 0.00 0.00 0.00 12 K 8.51 5.21 0.00 1.82 1.89 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 8.75 4.23 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 1.07 0.00 0.00 0.93 0.00 0.00 14 V 8.46 4.44 2.08 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 0.85 0.00 0.00 1.00 0.00 0.00 15 G 7.80 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 5.03 0.00 1.60 1.51 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.23 4.55 0.00 1.81 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 18 K 8.88 4.64 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.77 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 0.00 0.00 0.00 0.00 20 V 8.43 4.02 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.72 4.35 2.08 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 1.05 0.00 0.00 0.93 0.00 0.00 22 T 7.74 5.28 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 1.21 0.00 0.00 23 A 9.16 5.05 1.19 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 0.00 0.00 24 E 9.32 4.98 0.00 2.00 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 2.21 2.22 0.00 25 V 8.92 4.78 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 26 V 8.79 4.82 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 0.91 0.00 0.00 0.93 0.00 0.00 27 L 9.00 5.21 0.00 1.57 1.52 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.21 4.89 0.00 2.01 1.81 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 2.24 2.24 0.00 29 I 8.83 4.79 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 1.31 1.13 0.94 0.00 0.00 30 A 8.42 3.92 1.26 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 0.00 0.00 0.00 31 G 8.86 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 32 G 7.80 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.78 4.67 0.00 2.69 2.74 0.00 0.00 6.89 7.68 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 34 K 8.51 5.14 0.00 1.60 1.68 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 35 I 8.86 4.61 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 1.23 1.56 0.91 0.00 0.00 36 T 8.61 5.08 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 37 S 9.27 4.76 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.44 5.03 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 1.40 0.78 0.91 0.00 0.00 39 I 8.61 4.86 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 1.28 1.24 0.91 0.00 0.00 40 S 8.46 4.68 0.00 4.02 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 41 L 8.77 3.98 0.00 1.75 1.71 0.92 1.29 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 42 D 8.10 4.40 0.00 2.72 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 43 S 7.96 4.15 0.00 4.05 3.91 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 44 V 7.54 3.60 2.26 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.24 3.99 0.00 2.07 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 0.00 2.33 2.62 0.00 46 E 8.11 3.95 0.00 2.07 2.13 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 2.32 2.35 0.00 47 L 8.01 4.35 0.00 1.67 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.74 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 49 V 7.65 3.62 2.08 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 0.81 0.00 0.00 0.97 0.00 0.00 50 K 8.27 4.51 0.00 1.93 1.85 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.54 1.44 7.81 51 E 8.60 4.24 0.00 2.01 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 0.00 2.41 2.28 0.00 52 G 9.12 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 0.00 0.00 0.00 53 A 7.84 4.13 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 54 E 8.68 4.83 0.00 1.86 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 2.26 2.33 0.00 55 L 8.96 4.94 0.00 1.53 1.52 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.36 5.03 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 57 A 9.08 4.37 1.23 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 0.00 0.00 0.00 58 V 8.40 4.83 2.08 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 0.82 0.00 0.00 0.98 0.00 0.00 59 V 8.73 4.49 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.67 4.21 0.00 1.86 1.71 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.77 4.12 0.00 3.88 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 62 T 7.86 4.10 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 63 D 8.12 4.64 0.00 2.82 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 64 V 7.48 4.13 2.18 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 0.78 0.00 0.00 0.99 0.00 0.00 65 M 8.39 4.51 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 66 I 8.07 4.45 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 1.30 0.87 0.91 0.00 0.00 67 L 8.51 4.57 0.00 1.55 1.53 0.92 1.02 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 68 A 8.57 4.32 1.23 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 0.00 0.00 0.00