NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2987 8.2644 123.5871 52.1939 19.3786 174.3953 3 R 4.2615 7.6792 121.4557 53.7622 31.5453 175.9578 4 K 4.1226 9.0523 126.4003 59.1846 33.4302 177.8736 5 A 4.1261 8.0278 121.2057 55.0504 18.4174 178.0381 6 L 4.4703 7.4267 111.4433 55.2954 42.1204 177.6471 7 I 4.1406 7.5142 120.8743 61.2562 36.2906 175.9242 8 E 4.5386 7.8464 115.4731 55.9189 30.4973 177.7848 9 K 3.3835 8.1166 121.5597 59.7204 32.3014 177.3662 10 A 4.3943 7.6952 118.6305 52.1641 19.2210 178.3081 11 K 4.1952 7.6111 114.7320 56.8743 33.1371 179.1587 12 R 3.2652 7.3451 119.0943 57.6310 30.0181 181.1847 13 T 3.4788 7.7848 114.2724 65.8379 63.9178 170.5467 14 P 4.5008 0.0000 0.0000 62.0015 32.4540 177.8050 15 K 3.7665 7.7078 124.7175 57.1654 32.2293 175.5589 16 F 4.9783 6.8322 116.0683 55.4134 41.9763 176.1302 17 K 3.9934 8.7763 125.4142 59.7079 32.4307 177.3583 18 V 4.2723 8.0789 111.7352 61.3151 31.5270 176.7830 19 R 4.2664 7.9262 119.7974 57.5203 30.6895 176.9467 20 A 4.4749 7.8726 119.9794 52.0381 19.0613 175.3562 21 Y 4.9929 7.9544 116.9984 55.6468 41.3538 175.4896 22 T 3.9552 8.6566 109.0990 63.9551 69.4506 174.4895 23 R 3.8970 7.7845 124.7573 54.5399 29.7717 175.8393 24 C 5.0582 8.1095 118.9817 54.8778 44.9884 174.9513 25 V 3.7169 8.3182 125.4123 62.9761 30.4533 175.6639 26 R 4.4419 7.3319 118.9850 58.1752 32.5534 173.8190 27 C 4.5891 7.9512 109.8965 55.9331 42.3002 174.1859 28 G 3.9435 7.8719 108.9045 45.7766 0.0000 174.7650 29 R 3.9539 7.6834 119.6414 56.4537 30.4876 176.3825 30 A 4.9406 8.4671 125.7737 51.9195 21.3568 176.4409 31 R 4.1017 8.2175 121.2997 57.7603 28.0804 180.0845 32 S 4.3794 9.1315 109.7188 57.5646 61.2992 172.6081 33 V 4.5829 7.4013 119.0687 60.5781 34.4627 176.0636 34 Y 4.7504 8.5263 124.0958 57.7718 38.9858 175.4270 35 R 4.6339 8.7989 116.0452 57.9165 33.5042 175.8326 36 F 4.1396 8.2030 119.5691 60.9347 39.9484 176.0371 37 F 4.2199 8.6896 120.8642 58.2421 39.6056 175.9622 38 G 3.9242 8.4822 108.0709 46.8050 0.0000 173.3645 39 L 4.7259 7.9955 119.1704 52.0464 44.2626 175.9468 40 C 4.1058 8.8358 118.6683 55.1443 42.0874 174.8315 41 R 3.9624 8.4315 120.3780 59.9890 28.6967 179.1646 42 I 3.7469 7.7161 119.7419 64.2592 37.2645 177.0406 43 C 4.4828 8.1846 114.0854 57.1090 39.7792 175.0029 44 L 4.0132 7.8884 123.3130 57.6421 41.9508 178.4762 45 R 3.8595 7.9933 118.9489 59.5249 29.6722 178.1358 46 E 4.0348 8.8605 118.7747 59.3455 29.5853 178.9938 47 L 3.9470 7.5281 118.1882 56.3779 41.7570 178.8246 48 A 4.1325 7.4949 119.9371 54.9256 18.4172 179.1009 49 H 4.3462 7.9629 113.8249 58.9957 28.3477 177.7485 50 K 4.2067 7.7880 119.5235 57.1594 30.2320 178.7849 51 G 3.9656 7.7145 106.2199 46.1606 0.0000 175.5683 52 Q 4.0358 7.5043 119.9756 57.6166 28.9141 176.4549 53 L 4.3714 7.4062 118.1738 52.6137 42.0544 174.4975 54 P 4.2920 0.0000 0.0000 63.9811 31.7890 175.5262 55 G 4.0740 8.9522 110.9252 45.5966 0.0000 173.2062 56 V 3.6637 7.0109 117.1261 63.2982 30.0350 174.8601 57 R 4.5113 7.9158 125.8104 53.5395 32.0880 175.7214 58 K 3.9773 8.4450 123.2999 56.1331 32.1920 176.6240 59 A 4.3826 8.4382 129.8529 52.4886 19.1496 176.5110 60 S 4.7085 8.3103 115.7470 57.4692 67.0803 174.7627 61 W 4.4461 8.1735 120.0522 57.2837 27.2191 174.1548 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 A 8.26 4.30 1.30 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 3 R 7.68 4.26 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 4 K 9.05 4.12 0.00 1.80 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 5 A 8.03 4.13 1.30 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 6 L 7.43 4.47 0.00 1.79 1.84 0.95 0.88 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 7 I 7.51 4.14 1.88 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 1.49 0.71 0.89 0.00 0.00 8 E 7.85 4.54 0.00 2.17 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 0.00 2.44 2.42 0.00 9 K 8.12 3.38 0.00 0.85 1.59 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.19 1.06 7.81 10 A 7.70 4.39 1.25 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 0.00 0.00 0.00 11 K 7.61 4.20 0.00 1.83 1.87 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.41 7.81 12 R 7.35 3.27 0.00 1.93 1.09 0.00 3.32 0.00 0.00 3.22 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 13 T 7.78 3.48 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 14 P 0.00 4.50 0.00 2.37 2.16 0.00 3.86 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 15 K 7.71 3.77 0.00 1.48 0.74 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.00 7.81 16 F 6.83 4.98 0.00 3.17 2.84 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 17 K 8.78 3.99 0.00 1.90 2.02 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.58 7.81 18 V 8.08 4.27 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 0.75 0.00 0.00 1.01 0.00 0.00 19 R 7.93 4.27 0.00 1.98 2.05 0.00 3.38 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 20 A 7.87 4.47 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 Y 7.95 4.99 0.00 3.06 2.83 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 0.00 0.00 0.00 0.00 22 T 8.66 3.96 4.29 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 1.25 0.00 0.00 23 R 7.78 3.90 0.00 1.85 1.94 0.00 3.35 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 1.58 1.13 0.00 24 C 8.11 5.06 0.00 3.02 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 25 V 8.32 3.72 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 0.74 0.00 0.00 0.94 0.00 0.00 26 R 7.33 4.44 0.00 1.82 1.83 0.00 3.12 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 1.53 1.54 0.00 27 C 7.95 4.59 0.00 3.17 3.33 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 28 G 7.87 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 29 R 7.68 3.95 0.00 1.88 1.85 0.00 3.13 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 30 A 8.47 4.94 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.22 4.10 0.00 1.78 1.42 0.00 3.29 0.00 0.00 3.27 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 32 S 9.13 4.38 0.00 3.86 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 33 V 7.40 4.58 2.15 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 0.81 0.00 0.00 1.07 0.00 0.00 34 Y 8.53 4.75 0.00 3.03 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 35 R 8.80 4.63 0.00 1.85 1.95 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 36 F 8.20 4.14 0.00 3.18 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 37 F 8.69 4.22 0.00 2.92 3.11 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 38 G 8.48 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 39 L 8.00 4.73 0.00 1.62 1.62 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.84 4.11 0.00 3.21 3.43 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 41 R 8.43 3.96 0.00 2.19 2.39 0.00 2.80 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 42 I 7.72 3.75 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 1.04 0.00 0.00 43 C 8.18 4.48 0.00 3.16 3.37 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 0.00 44 L 7.89 4.01 0.00 1.65 1.77 -0.25 0.25 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 45 R 7.99 3.86 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 46 E 8.86 4.03 0.00 2.02 2.01 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 2.35 2.48 0.00 47 L 7.53 3.95 0.00 1.90 1.74 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.49 4.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.35 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.79 4.21 0.00 1.76 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.55 7.81 51 G 7.71 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 52 Q 7.50 4.04 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 53 L 7.41 4.37 0.00 1.77 1.69 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.29 0.00 2.17 2.06 0.00 3.78 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 1.97 1.96 0.00 55 G 8.95 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 56 V 7.01 3.66 2.29 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 0.75 0.00 0.00 1.11 0.00 0.00 57 R 7.92 4.51 0.00 1.93 1.80 0.00 3.31 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 58 K 8.44 3.98 0.00 1.77 1.75 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.40 7.81 59 A 8.44 4.38 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 60 S 8.31 4.71 0.00 3.89 3.74 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 61 W 8.17 4.45 0.00 3.31 3.08 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 0.00 0.00 0.00 0.00