NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4049 8.2644 123.5831 50.9935 20.6802 175.2834 3 K 3.9661 7.5716 127.3272 55.6149 36.6124 173.4825 4 H 4.3096 9.2495 115.0792 58.1555 30.6281 172.9134 5 P 4.8446 0.0000 0.0000 61.0111 32.7549 174.7164 6 V 4.4486 7.9138 120.3639 60.2672 34.6360 172.4653 7 P 4.2924 0.0000 0.0000 62.7225 31.5863 176.4961 8 K 4.0979 8.7877 125.1047 58.5093 32.4599 176.4868 9 K 4.7129 7.4954 114.8801 53.5860 35.9326 175.5885 10 K 4.0689 8.3966 121.0106 57.2168 32.6676 177.5615 11 T 4.0591 8.7654 121.9348 63.7552 67.0156 174.1681 12 S 3.6890 7.5080 114.5028 57.2448 62.2096 172.7918 13 K 4.0224 8.5001 127.2413 60.0985 31.9458 177.7818 14 A 3.6767 8.3060 117.4568 56.0613 18.2385 178.8078 15 R 3.4399 8.2080 115.8845 59.1150 30.5408 178.9356 16 R 3.8343 8.3942 118.7775 59.5504 29.9227 177.9623 17 D 4.3683 8.1653 117.7053 57.6383 41.1547 178.2692 18 A 3.9864 8.6344 121.4187 55.5914 18.0290 179.1911 19 R 3.7279 8.6334 116.2694 60.3816 30.2556 178.8798 20 R 4.0430 8.5021 116.3667 60.2722 31.7641 179.5427 21 S 3.4027 7.9710 102.5700 57.3338 66.1994 175.3074 22 H 4.5100 8.8100 112.2820 56.4258 27.0557 173.2735 23 H 4.7132 8.2488 116.1548 57.1837 32.7986 174.0310 24 A 3.9160 7.9597 119.3909 51.4516 18.9504 177.1793 25 L 4.0923 8.3052 121.1354 55.0636 42.3135 177.4130 26 T 4.2460 8.1036 115.9372 59.3854 66.4950 171.9092 27 P 4.0976 0.0000 0.0000 62.1791 31.1890 174.4442 28 P 4.2375 0.0000 0.0000 62.6337 31.3961 175.1601 29 T 4.6132 8.3884 108.8751 60.1267 70.7689 172.8830 30 L 5.0377 8.4712 124.9369 53.3439 45.7640 175.6851 31 V 4.4410 9.2052 112.7507 60.6689 36.6911 177.1595 32 P 3.7208 0.0000 0.0000 61.1205 32.8269 177.5510 33 C 5.4366 9.1366 127.8006 58.1125 34.2194 168.7985 34 P 4.2855 0.0000 0.0000 65.0443 30.5971 177.4783 35 E 3.9619 9.3660 116.4500 57.2876 29.6168 178.0211 36 C 4.0481 8.7814 119.0647 60.8374 29.6054 173.6285 37 K 4.5111 8.2974 118.3125 56.8144 33.0616 177.8687 38 A 4.3742 7.6615 124.6709 52.9670 19.6617 176.7419 39 M 5.1142 8.3123 113.1457 52.8898 35.6906 175.1825 40 K 4.8570 8.5748 121.1742 53.9889 36.9774 173.1418 41 P 5.1708 0.0000 0.0000 60.0928 33.6052 173.1923 42 P 4.1671 0.0000 0.0000 64.0472 31.7992 175.7270 43 H 4.4112 8.8053 119.4510 56.9951 25.9332 173.5268 44 T 4.8609 7.4019 113.8307 61.9624 72.3492 175.1711 45 V 4.4613 7.8811 119.2156 60.8915 31.3690 174.1415 46 C 4.2308 7.8719 123.1706 58.5398 32.3853 173.6733 47 P 4.7172 0.0000 0.0000 62.7710 29.9202 176.6301 48 E 4.6223 8.2203 117.7508 57.1197 31.4760 175.2425 49 C 4.7882 8.4309 120.8605 58.5487 32.2512 174.8248 50 G 3.9384 7.9286 107.4845 44.5960 0.0000 173.2854 51 Y 4.1152 8.2097 123.4286 57.3500 37.2126 173.9091 52 Y 4.9133 7.9525 124.5362 58.8413 40.1034 173.3479 53 A 3.8309 9.4846 118.9188 51.8277 16.4248 177.8759 54 G 3.6853 7.6405 107.8984 46.2192 0.0000 172.8960 55 R 4.4675 8.0300 121.3852 55.4307 31.3345 177.2089 56 K 4.4673 8.2095 120.4575 57.9786 34.8451 176.2165 57 V 4.2385 6.7777 114.4456 59.6971 39.3333 173.2265 58 L 4.7456 7.3837 122.1665 55.3484 40.7761 172.6804 59 E 4.7616 8.2482 122.8949 55.5818 32.7434 176.0874 60 V 3.9938 8.0746 118.9498 63.3540 31.8551 174.7928 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 4.40 1.29 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 0.00 0.00 3 K 7.57 3.97 0.00 1.73 1.51 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.54 7.81 4 H 9.25 4.31 0.00 3.12 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.84 0.00 2.20 2.02 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 6 V 7.91 4.45 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 0.94 0.00 0.00 7 P 0.00 4.29 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 8.79 4.10 0.00 1.69 1.83 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.50 4.71 0.00 1.72 1.65 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.40 4.07 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 T 8.77 4.06 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 12 S 7.51 3.69 0.00 3.93 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 13 K 8.50 4.02 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.56 7.81 14 A 8.31 3.68 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 15 R 8.21 3.44 0.00 1.92 2.09 0.00 3.10 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 16 R 8.39 3.83 0.00 2.00 2.12 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.17 4.37 0.00 2.84 2.74 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 18 A 8.63 3.99 1.37 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 0.00 0.00 19 R 8.63 3.73 0.00 1.76 2.13 0.00 3.31 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 R 8.50 4.04 0.00 2.10 1.99 0.00 3.37 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 21 S 7.97 3.40 0.00 4.06 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.81 4.51 0.00 3.12 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.25 4.71 0.00 3.38 3.23 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.96 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 25 L 8.31 4.09 0.00 1.66 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.10 4.25 4.25 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 1.22 0.00 0.00 27 P 0.00 4.10 0.00 2.21 2.12 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 28 P 0.00 4.24 0.00 2.19 2.15 0.00 3.71 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 2.00 2.00 0.00 29 T 8.39 4.61 4.25 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 1.21 0.00 0.00 30 L 8.47 5.04 0.00 1.49 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.21 4.44 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 0.76 0.00 0.00 0.92 0.00 0.00 32 P 0.00 3.72 0.00 2.19 1.37 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 33 C 9.14 5.44 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.29 0.00 2.29 1.95 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 35 E 9.37 3.96 0.00 2.00 1.83 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 2.38 2.33 0.00 36 C 8.78 4.05 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 37 K 8.30 4.51 0.00 1.84 1.87 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 38 A 7.66 4.37 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 39 M 8.31 5.11 0.00 1.84 1.92 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 2.48 2.32 0.00 40 K 8.57 4.86 0.00 1.63 1.63 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.32 7.81 41 P 0.00 5.17 0.00 2.12 2.16 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 42 P 0.00 4.17 0.00 2.12 2.18 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 43 H 8.81 4.41 0.00 3.32 3.50 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.40 4.86 4.27 0.00 0.00 0.00 0.00 0.00 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 45 V 7.88 4.46 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 0.92 0.00 0.00 1.13 0.00 0.00 46 C 7.87 4.23 0.00 2.99 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.72 0.00 2.22 2.14 0.00 3.76 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 1.96 0.00 48 E 8.22 4.62 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 49 C 8.43 4.79 0.00 3.42 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 50 G 7.93 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 51 Y 8.21 4.12 0.00 2.84 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 0.00 0.00 0.00 52 Y 7.95 4.91 0.00 3.04 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 53 A 9.48 3.83 1.57 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 54 G 7.64 3.69 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 0.00 0.00 0.00 55 R 8.03 4.47 0.00 1.76 1.82 0.00 3.24 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 56 K 8.21 4.47 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.96 0.00 0.00 3.28 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.52 7.81 57 V 6.78 4.24 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 0.65 0.00 0.00 1.01 0.00 0.00 58 L 7.38 4.75 0.00 1.69 1.65 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.25 4.76 0.00 2.06 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 2.20 2.33 0.00 60 V 8.07 3.99 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 0.81 0.00 0.00 0.94 0.00 0.00