NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3240 8.1733 120.1321 55.8950 33.8094 176.0660 2 N 4.1715 8.5929 116.2060 56.3755 38.7387 174.5086 3 E 4.0052 9.0218 118.9009 59.4364 30.5122 178.5526 4 D 4.3871 8.1773 118.9623 57.3659 40.7707 178.8338 5 Q 4.1378 8.0438 118.7629 58.6808 28.5987 178.3116 6 E 3.9754 8.0307 119.8611 59.8359 29.6320 179.3018 7 M 3.9388 7.6329 117.1714 58.3533 31.8814 177.7770 8 C 4.5333 8.1459 118.2287 58.9309 40.7642 174.7512 9 H 4.0509 8.2209 120.4424 59.7407 29.5547 176.9200 10 E 4.1527 8.3096 119.6218 59.4205 29.2511 178.7267 11 F 5.0427 7.8226 114.2212 59.1670 39.4426 177.1147 12 Q 4.1721 8.5689 120.6745 58.9565 28.6946 177.5978 13 A 3.9430 7.4950 120.8683 54.7829 18.7002 178.8543 14 F 4.4384 7.6098 113.5644 57.7406 39.1930 175.0123 15 M 4.9698 7.4309 119.8740 55.2348 32.7392 175.4626 16 K 4.6887 9.7604 124.8187 56.1688 36.4655 175.6761 17 N 4.2656 9.9417 116.9014 54.3956 36.2207 175.2495 18 G 3.9183 8.5491 102.5266 45.7857 0.0000 173.8676 19 K 4.3753 9.0231 121.2017 54.0033 34.4756 175.1980 20 L 4.4703 7.9493 126.1752 53.6741 42.1063 177.2168 21 F 4.1632 8.6370 131.3716 56.0612 37.6762 174.8922 22 C 3.0022 7.3455 114.6096 54.5925 41.5979 172.7216 23 P 4.3799 0.0000 0.0000 61.5460 32.0715 175.7078 24 Q 4.0848 8.2499 117.9206 55.1268 28.5388 175.3782 25 D 4.6490 8.0287 123.4941 52.8576 42.1062 176.3473 26 K 3.8126 8.7574 126.1993 58.6627 32.2667 176.5929 27 K 4.3160 8.2546 120.7206 53.8183 32.0167 174.0041 28 P 4.4150 0.0000 0.0000 62.8173 32.0039 175.5182 29 I 4.6140 8.8866 122.1791 59.4143 41.6609 174.0060 30 Q 4.7901 8.5399 125.8419 54.3593 29.3452 175.9755 31 S 4.4350 8.2983 118.8511 57.6629 64.1521 174.2295 32 L 4.4201 8.1046 119.7959 56.1848 41.1590 177.3975 33 D 4.4548 7.8951 117.9695 55.3557 41.2644 176.3086 34 G 4.0660 7.9172 105.1993 45.9091 0.0000 173.1179 35 I 4.4725 7.7340 119.7276 59.4787 40.2023 174.7606 36 M 4.3592 8.4059 121.5701 54.5358 32.0494 175.3024 37 F 3.8849 8.5315 130.6978 59.2007 39.9229 177.3417 38 I 3.9192 7.9804 120.2830 64.6885 36.8491 177.3902 39 N 4.2385 8.4710 117.9861 56.7984 38.4805 176.3829 40 K 3.9170 8.1678 119.9664 59.9405 31.8259 178.1981 41 C 4.5157 8.6939 118.1446 59.5716 43.4104 175.2785 42 A 3.8727 7.9128 120.6360 54.2740 18.5036 178.9695 43 T 4.1917 9.1267 114.6166 66.2701 69.0689 176.2845 44 C 4.2391 8.3979 120.7195 59.5585 39.1107 175.3568 45 K 4.0626 7.8659 121.2457 60.1453 31.3575 178.7303 46 M 4.1732 8.0257 117.8408 58.0156 31.6836 178.4314 47 I 3.9952 7.6138 119.3541 63.6886 37.3176 177.8176 48 L 4.2137 8.8895 121.0521 57.3341 41.4058 179.1496 49 E 3.8297 8.1829 118.8869 58.9390 29.4010 178.7848 50 K 3.8331 7.7484 118.6516 59.8348 32.2106 178.6015 51 E 4.0109 7.8865 118.0682 59.2315 29.3398 179.1424 52 A 4.0791 8.2130 120.9799 54.8433 18.1216 179.7361 53 K 3.9736 7.7769 116.6532 59.7109 32.1199 179.2863 54 S 4.2616 7.7549 114.5797 61.3218 62.7365 174.3975 55 Q 4.1692 7.8554 124.5659 56.1615 28.4159 175.9427 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 K 8.17 4.32 0.00 1.83 1.83 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.46 7.81 2 N 8.59 4.17 0.00 2.82 2.87 0.00 0.00 6.84 6.78 0.00 0.00 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 E 9.02 4.01 0.00 1.96 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 2.39 2.34 0.00 4 D 8.18 4.39 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.14 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 6 E 8.03 3.98 0.00 2.17 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 2.32 2.35 0.00 7 M 7.63 3.94 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 8 C 8.15 4.53 0.00 3.03 3.26 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 9 H 8.22 4.05 0.00 3.27 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.31 4.15 0.00 2.20 2.30 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 2.55 2.51 0.00 11 F 7.82 5.04 0.00 3.14 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 12 Q 8.57 4.17 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 13 A 7.49 3.94 0.97 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 14 F 7.61 4.44 0.00 3.24 3.24 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 0.00 15 M 7.43 4.97 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.74 0.00 16 K 9.76 4.69 0.00 1.80 1.60 0.00 1.30 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.54 7.81 17 N 9.94 4.27 0.00 2.98 2.93 0.00 0.00 6.99 7.65 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 18 G 8.55 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 19 K 9.02 4.38 0.00 1.54 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.95 1.07 7.81 20 L 7.95 4.47 0.00 1.58 1.45 1.12 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.64 4.16 0.00 3.36 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 22 C 7.35 3.00 0.00 2.59 1.65 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 23 P 0.00 4.38 0.00 1.96 1.74 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 24 Q 8.25 4.08 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 25 D 8.03 4.65 0.00 2.94 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.81 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 27 K 8.25 4.32 0.00 1.68 1.93 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.44 7.81 28 P 0.00 4.41 0.00 2.12 1.96 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 29 I 8.89 4.61 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.83 0.00 0.00 30 Q 8.54 4.79 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 31 S 8.30 4.44 0.00 3.96 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 32 L 8.10 4.42 0.00 1.83 1.93 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.90 4.45 0.00 2.59 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.92 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 35 I 7.73 4.47 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 1.31 1.22 0.98 0.00 0.00 36 M 8.41 4.36 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 37 F 8.53 3.88 0.00 3.40 3.15 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 0.00 0.00 0.00 0.00 38 I 7.98 3.92 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.12 0.99 0.00 0.00 39 N 8.47 4.24 0.00 2.80 2.74 0.00 0.00 7.20 6.75 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 K 8.17 3.92 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.88 0.72 7.81 41 C 8.69 4.52 0.00 3.19 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 42 A 7.91 3.87 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 43 T 9.13 4.19 4.21 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 0.00 0.00 1.19 0.00 0.00 44 C 8.40 4.24 0.00 3.06 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 45 K 7.87 4.06 0.00 2.04 1.78 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 M 8.03 4.17 0.00 2.10 2.22 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 2.85 2.63 0.00 47 I 7.61 4.00 2.02 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 1.53 0.70 0.92 0.00 0.00 48 L 8.89 4.21 0.00 1.74 1.74 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.18 3.83 0.00 2.05 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 0.00 2.33 2.56 0.00 50 K 7.75 3.83 0.00 1.87 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 51 E 7.89 4.01 0.00 2.18 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 0.00 2.34 2.49 0.00 52 A 8.21 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 3.97 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 54 S 7.75 4.26 0.00 3.97 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 55 Q 7.86 4.17 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00