NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3211 8.2993 120.1372 55.9079 33.6368 175.8985 2 S 4.2218 8.2734 116.6006 57.4113 64.9061 172.9708 3 P 4.4003 0.0000 0.0000 65.8511 31.4513 180.1827 4 E 3.9989 8.1764 117.0565 59.3963 29.4729 178.9570 5 E 4.0350 8.3393 118.6214 59.5922 29.5245 179.5343 6 I 4.0257 8.2795 120.1550 64.2927 37.0858 178.3802 7 K 4.1828 8.7795 121.0178 59.3414 31.8265 179.0347 8 G 3.6312 8.2445 105.8334 47.7934 0.0000 175.5226 9 A 4.0388 7.9879 123.3087 54.6829 18.4017 179.2049 10 F 3.4792 8.7411 119.6538 61.6147 39.2876 177.2297 11 E 3.7976 8.5328 118.1808 59.2414 28.9835 179.6173 12 V 3.3968 7.1560 117.3759 66.0793 32.0754 177.9023 13 F 4.2501 7.7435 117.1471 60.3432 38.4801 177.4202 14 A 4.0769 7.7905 119.3474 53.7351 18.1220 178.3411 15 A 4.4740 7.0628 117.7758 51.8333 19.3304 178.1386 16 K 4.0237 7.4616 122.0678 60.2758 32.4326 176.9960 17 E 4.6934 8.6697 115.4714 55.4532 34.5573 177.1912 18 G 3.5707 8.5001 108.6114 46.2817 0.0000 174.4831 19 D 4.3701 8.5580 123.2163 53.7948 41.4218 175.6091 20 P 4.4001 0.0000 0.0000 64.8115 31.5315 176.7163 21 N 5.0486 8.6108 114.1004 52.9531 39.0045 174.3183 22 Q 5.0337 7.6929 116.4962 54.2716 33.2404 174.8337 23 I 4.5405 8.7623 123.7249 59.8469 38.7042 176.0408 24 S 4.6170 9.4045 123.2567 57.4571 64.4379 175.3530 25 K 3.9292 8.7847 120.3579 59.8780 31.5122 178.4273 26 E 4.0272 8.0434 117.4819 59.3674 29.7269 178.6626 27 E 4.1525 8.3099 118.8151 59.1462 29.5154 179.0497 28 L 3.9666 8.3608 120.8364 57.5031 42.0786 178.7529 29 K 3.9006 7.9639 119.9455 59.6170 31.9848 178.7069 30 L 4.0826 7.8196 118.7997 57.5762 41.4962 179.5706 31 V 2.7624 7.3373 117.7749 65.8682 31.4082 177.4235 32 M 3.9424 8.3204 118.2465 59.0055 31.8442 178.2695 33 Q 4.0830 7.9685 116.6180 58.9573 28.8579 178.2991 34 T 4.1806 7.4759 113.2195 64.6641 67.8299 176.1427 35 L 4.2429 8.4179 120.6681 53.5779 42.1907 180.3618 36 G 3.7945 9.0373 105.7202 45.6780 0.0000 174.0598 37 P 4.4869 0.0000 0.0000 63.7029 31.3738 177.0749 38 S 4.3270 8.0546 113.7782 59.9073 63.5428 174.8279 39 L 4.1332 7.5339 121.7127 54.5316 42.1051 176.8515 40 L 4.2839 8.1348 121.6144 53.5140 42.6569 176.4342 41 K 3.9163 8.4184 122.1636 58.4854 32.2584 177.2258 42 G 4.0906 9.7920 114.5869 45.6576 0.0000 173.0687 43 M 4.8952 7.9643 117.3648 55.0891 31.4058 175.8511 44 S 4.6134 8.3484 113.8717 59.2589 65.1414 174.8353 45 T 4.3000 7.7668 112.2028 60.7377 71.1220 175.1187 46 L 3.9095 8.3007 123.0396 58.3803 42.1467 178.8686 47 D 4.3339 8.0131 118.2426 57.5509 40.9142 178.3780 48 E 3.9820 8.2023 118.9429 59.6315 29.4059 179.4460 49 M 4.0099 8.2527 118.7917 58.5915 32.1437 178.7707 50 I 3.7559 7.8079 118.6973 63.8803 37.9020 177.4556 51 E 3.9957 8.0260 119.7308 59.2120 29.5073 178.1553 52 E 4.0414 8.1453 118.6040 58.8663 29.7736 178.2639 53 V 4.0368 7.4647 117.0651 64.1598 33.0559 176.4621 54 D 4.8117 8.2098 118.9897 52.9833 39.1063 175.5559 55 K 4.1042 8.2545 123.4000 58.5634 31.6258 177.8659 56 N 4.5501 8.4470 114.2717 52.2995 37.7852 175.8515 57 G 3.7827 7.8780 107.2594 46.9128 0.0000 174.2079 58 D 4.4941 7.9177 114.8876 52.9739 39.7728 177.3304 59 G 3.9635 9.1438 109.0294 45.4610 0.0000 172.6095 60 E 4.9444 8.1091 115.7007 54.4602 33.5191 175.0039 61 V 4.7573 8.8147 120.5234 61.2458 33.7953 175.5121 62 S 4.9845 9.2774 123.4445 57.4566 64.8604 175.2560 63 F 2.8602 8.5197 121.4617 60.9600 38.9665 176.6138 64 E 3.5627 7.9969 116.6529 59.5174 29.2740 178.8784 65 E 3.9253 8.0609 119.3957 58.9552 29.5277 179.0695 66 F 4.1354 8.5372 121.2259 61.0250 39.4656 176.8884 67 L 3.7468 7.8417 120.3443 58.0943 41.8496 179.0907 68 V 3.4851 7.3904 117.6188 66.0902 31.4273 177.4932 69 M 3.8907 7.9134 117.8145 59.0820 31.9131 178.2009 70 M 3.9059 7.7829 118.6435 57.9364 31.8035 178.6418 71 K 3.8851 7.7412 119.0358 59.4703 32.5587 178.6791 72 K 4.0739 8.0204 118.6392 59.5965 31.7456 179.4007 73 I 3.7262 7.6137 119.1552 63.6944 37.0273 177.6181 74 S 4.5122 7.2676 112.3371 58.1145 63.2645 173.9724 75 Q 4.1584 7.6845 129.2828 56.6663 30.6719 172.6911 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 8.30 4.32 0.00 1.82 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 2 S 8.27 4.22 0.00 4.30 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 3 P 0.00 4.40 0.00 2.29 2.32 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 4 E 8.18 4.00 0.00 2.09 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 2.42 2.47 0.00 5 E 8.34 4.04 0.00 2.10 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 0.00 2.38 2.40 0.00 6 I 8.28 4.03 2.13 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 1.54 0.83 1.30 0.00 0.00 7 K 8.78 4.18 0.00 1.78 1.93 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.17 1.49 7.81 8 G 8.24 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.04 1.64 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 0.00 0.00 10 F 8.74 3.48 0.00 2.99 3.30 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 11 E 8.53 3.80 0.00 2.16 1.93 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 2.36 2.53 0.00 12 V 7.16 3.40 1.86 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 0.48 0.00 0.00 0.86 0.00 0.00 13 F 7.74 4.25 0.00 3.09 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 14 A 7.79 4.08 0.74 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 0.00 0.00 15 A 7.06 4.47 1.21 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 0.00 0.00 0.00 16 K 7.46 4.02 0.00 1.80 2.00 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 17 E 8.67 4.69 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 2.24 2.25 0.00 18 G 8.50 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 19 D 8.56 4.37 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.07 2.08 0.00 3.71 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 2.02 2.09 0.00 21 N 8.61 5.05 0.00 2.88 2.94 0.00 0.00 6.74 8.55 0.00 0.00 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 Q 7.69 5.03 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 23 I 8.76 4.54 1.95 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.28 0.91 0.00 0.00 24 S 9.40 4.62 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 25 K 8.78 3.93 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 26 E 8.04 4.03 0.00 1.96 2.00 0.00 0.00 0.00 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 2.46 0.00 27 E 8.31 4.15 0.00 2.24 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 0.00 2.34 2.31 0.00 28 L 8.36 3.97 0.00 1.85 1.79 0.98 0.43 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 29 K 7.96 3.90 0.00 1.90 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 30 L 7.82 4.08 0.00 2.04 1.95 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.34 2.76 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 0.93 0.00 0.00 0.01 0.00 0.00 32 M 8.32 3.94 0.00 2.21 2.02 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 2.58 2.58 0.00 33 Q 7.97 4.08 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 34 T 7.48 4.18 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 35 L 8.42 4.24 0.00 1.69 1.66 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.04 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 38 S 8.05 4.33 0.00 3.99 4.02 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 0.00 0.00 0.00 39 L 7.53 4.13 0.00 1.72 1.76 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.13 4.28 0.00 1.68 1.55 0.94 0.87 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 41 K 8.42 3.92 0.00 1.68 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 G 9.79 4.09 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 0.00 0.00 0.00 43 M 7.96 4.90 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 44 S 8.35 4.61 0.00 3.96 4.11 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 45 T 7.77 4.30 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 1.25 0.00 0.00 46 L 8.30 3.91 0.00 1.77 1.70 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.01 4.33 0.00 2.80 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 48 E 8.20 3.98 0.00 2.17 2.17 0.00 0.00 0.00 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 49 M 8.25 4.01 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 50 I 7.81 3.76 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 1.01 0.00 0.00 51 E 8.03 4.00 0.00 2.13 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 0.00 2.32 2.32 0.00 52 E 8.15 4.04 0.00 2.05 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 0.00 2.29 2.32 0.00 53 V 7.46 4.04 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 0.90 0.00 0.00 0.97 0.00 0.00 54 D 8.21 4.81 0.00 2.67 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 55 K 8.25 4.10 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 56 N 8.45 4.55 0.00 2.83 3.05 0.00 0.00 6.89 9.28 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 57 G 7.88 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.92 4.49 0.00 2.77 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 59 G 9.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.94 0.00 2.01 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 2.45 0.00 61 V 8.81 4.76 2.25 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 1.35 0.00 0.00 1.01 0.00 0.00 62 S 9.28 4.98 0.00 3.97 4.13 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 0.00 0.00 0.00 63 F 8.52 2.86 0.00 2.21 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 64 E 8.00 3.56 0.00 2.11 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 2.33 2.35 0.00 65 E 8.06 3.93 0.00 2.34 2.20 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 2.37 2.30 0.00 66 F 8.54 4.14 0.00 3.29 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 67 L 7.84 3.75 0.00 1.21 1.45 0.83 0.85 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 68 V 7.39 3.49 2.14 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 0.88 0.00 0.00 0.92 0.00 0.00 69 M 7.91 3.89 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 70 M 7.78 3.91 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.12 0.00 71 K 7.74 3.89 0.00 1.70 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 72 K 8.02 4.07 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.63 7.81 73 I 7.61 3.73 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.48 0.94 0.00 0.00 74 S 7.27 4.51 0.00 3.95 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 75 Q 7.68 4.16 0.00 2.02 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00