NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 5.2351 8.2148 119.5296 56.9419 33.4704 173.2024 7 T 4.5364 7.3865 113.0027 60.3543 71.7947 171.4846 8 P 4.2122 0.0000 0.0000 62.7486 32.5600 175.2091 9 P 4.3321 0.0000 0.0000 62.5290 33.2635 176.9211 10 A 3.9579 8.6538 121.4913 56.0180 18.1609 179.3716 11 A 3.9201 8.2356 118.1378 56.0316 18.1659 179.8320 12 V 3.5507 7.6775 115.1984 64.6866 31.5015 178.2946 13 L 3.9581 8.2037 119.8504 57.7977 41.4825 179.6642 14 L 4.1099 8.6111 118.9369 57.4826 41.4424 179.8149 15 K 3.9913 8.2275 118.8568 59.4780 31.8696 179.2876 16 K 3.9982 8.1975 118.5780 59.8411 32.1324 178.0811 17 A 4.0409 8.4290 120.9057 54.2706 18.3590 178.6579 18 A 4.0583 8.5958 119.9709 53.4526 19.2721 178.5268 19 G 3.8781 9.8072 104.2534 45.5555 0.0000 172.0578 20 I 4.6390 7.1690 109.6599 59.7504 40.9703 174.3904 21 E 4.5966 8.5824 117.1855 56.3117 30.4167 175.8309 22 S 4.7568 7.5728 113.5679 57.1423 68.7310 175.6761 23 G 3.8939 8.6646 115.6153 45.7630 0.0000 176.7076 24 S 4.7318 8.4214 117.7614 58.9728 67.0766 176.5072 25 G 4.0445 8.0378 105.9702 48.8364 0.0000 177.1467 26 E 3.3682 7.8832 116.6878 57.9780 30.5454 176.4646 27 P 4.3562 0.0000 0.0000 65.8696 31.2940 177.2581 28 N 4.4292 7.7769 115.6429 54.7646 38.8210 176.4063 29 R 4.4206 7.3765 124.5330 54.1128 29.5647 175.1587 30 N 4.4313 8.2590 119.3837 53.0757 39.1679 175.6733 31 K 4.1526 8.6945 123.7922 56.8982 32.8109 176.9974 32 V 4.2192 6.7636 119.5140 61.9938 32.5375 169.9363 33 A 4.8341 7.9211 123.3976 51.1126 21.5035 175.5997 34 T 4.3837 7.6621 111.4199 59.8644 70.1960 173.3935 35 I 4.0404 8.0626 120.9190 61.0716 38.9996 175.7167 36 K 4.2047 8.8950 127.0899 58.3279 32.3281 178.4809 37 R 3.9528 7.9834 124.3615 58.1964 30.9415 176.9643 38 D 4.6791 7.9020 117.3453 55.9954 42.0244 178.5836 39 K 3.9369 8.6293 118.6093 59.6775 32.4671 179.7523 40 V 3.5926 7.7585 118.4772 65.9893 31.2602 178.0015 41 R 3.8504 7.9153 117.8021 59.4082 30.0605 177.8468 42 E 3.9466 7.9181 117.8794 59.8135 29.5275 179.5657 43 I 3.6944 7.8820 119.1503 64.4079 36.9377 178.2724 44 A 4.0886 7.8828 120.5286 55.1540 18.4975 179.4185 45 E 4.0260 8.2940 117.1356 59.6275 29.4384 179.2673 46 L 3.9667 7.7072 118.9486 57.9735 42.4156 178.4093 47 K 4.1297 8.6009 118.7170 57.8615 32.1097 177.9517 48 M 3.9045 7.7310 118.7273 59.1486 31.8313 176.2478 49 P 4.2393 0.0000 0.0000 64.8138 31.8005 176.5814 50 D 4.7503 8.3625 115.9990 53.9136 42.0333 175.6687 51 L 4.8620 7.8985 121.4112 53.3918 42.8527 176.3714 52 N 4.5825 8.6162 119.9146 53.0679 37.6026 175.2228 53 A 4.1970 7.5939 121.0711 52.5819 19.2599 177.3144 54 A 4.0989 8.1052 122.8809 53.5353 18.9823 179.3058 55 S 4.5287 8.1112 109.5271 56.4053 66.5807 175.3459 56 I 3.6739 8.2717 123.8599 64.6355 36.9203 178.2429 57 E 4.1060 8.3444 117.6592 59.4684 29.1362 179.1921 58 A 3.9437 7.6848 120.4665 54.8592 18.5992 179.0319 59 A 3.9531 8.0251 119.5075 56.0665 18.3379 179.5862 60 M 3.9624 8.7059 117.0491 58.6432 32.1093 179.1033 61 R 3.8980 7.8808 117.4383 59.7787 30.0993 178.8502 62 M 4.0354 7.6903 116.6383 58.4470 32.2553 178.4279 63 I 3.8437 7.4699 119.4253 64.7465 37.5071 178.2509 64 E 4.0542 8.7594 119.6280 59.5860 29.3906 179.8484 65 G 3.6602 8.1970 105.4676 47.7340 0.0000 175.6471 66 T 4.2020 8.2222 117.7994 65.7868 68.4102 176.9804 67 A 4.1003 7.8070 122.5869 54.7870 18.4072 179.5361 68 R 3.8473 7.9399 117.3495 59.6903 30.0433 178.7117 69 S 4.3232 7.4293 111.5938 61.0756 62.7257 175.3601 70 M 4.6261 7.5953 116.2427 53.3870 33.0447 173.7533 71 G 3.6832 9.3457 112.9218 45.5794 0.0000 174.0104 72 I 4.6160 8.0563 124.2816 62.1340 38.4396 174.9598 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 6 K 8.21 5.24 0.00 1.76 1.85 0.00 1.70 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 7 T 7.39 4.54 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 8 P 0.00 4.21 0.00 2.03 2.02 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 9 P 0.00 4.33 0.00 2.15 2.00 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 10 A 8.65 3.96 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 11 A 8.24 3.92 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 12 V 7.68 3.55 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 1.09 0.00 0.00 0.93 0.00 0.00 13 L 8.20 3.96 0.00 1.95 1.77 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.61 4.11 0.00 1.91 1.72 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.23 3.99 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 K 8.20 4.00 0.00 1.72 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 A 8.43 4.04 1.34 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 0.00 0.00 0.00 18 A 8.60 4.06 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 G 9.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.17 4.64 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 1.54 0.64 0.91 0.00 0.00 21 E 8.58 4.60 0.00 1.94 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 2.20 2.23 0.00 22 S 7.57 4.76 0.00 3.80 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.42 4.73 0.00 3.85 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 25 G 8.04 4.04 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 0.00 0.00 0.00 26 E 7.88 3.37 0.00 2.07 2.45 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 2.48 2.32 0.00 27 P 0.00 4.36 0.00 2.17 2.18 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 28 N 7.78 4.43 0.00 2.78 2.86 0.00 0.00 6.97 7.05 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 29 R 7.38 4.42 0.00 1.78 1.88 0.00 3.38 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 30 N 8.26 4.43 0.00 2.71 2.76 0.00 0.00 7.14 7.61 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 31 K 8.69 4.15 0.00 1.85 1.82 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.41 7.81 32 V 6.76 4.22 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 0.73 0.00 0.00 0.93 0.00 0.00 33 A 7.92 4.83 1.24 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 0.00 0.00 34 T 7.66 4.38 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 35 I 8.06 4.04 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 1.69 0.79 0.91 0.00 0.00 36 K 8.90 4.20 0.00 2.00 1.94 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 37 R 7.98 3.95 0.00 1.80 2.07 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 38 D 7.90 4.68 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.94 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 40 V 7.76 3.59 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 0.99 0.00 0.00 0.93 0.00 0.00 41 R 7.92 3.85 0.00 1.91 1.90 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 42 E 7.92 3.95 0.00 2.22 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 2.34 2.65 0.00 43 I 7.88 3.69 1.98 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 1.45 0.78 0.91 0.00 0.00 44 A 7.88 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.03 0.00 2.16 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 2.31 2.53 0.00 46 L 7.71 3.97 0.00 1.63 1.82 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.60 4.13 0.00 1.98 1.77 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.48 7.81 48 M 7.73 3.90 0.00 2.20 2.29 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 2.61 2.66 0.00 49 P 0.00 4.24 0.00 2.06 2.11 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 50 D 8.36 4.75 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 4.86 0.00 1.69 1.57 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.62 4.58 0.00 2.83 2.90 0.00 0.00 6.13 7.26 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 53 A 7.59 4.20 1.27 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 0.00 0.00 0.00 54 A 8.11 4.10 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 55 S 8.11 4.53 0.00 4.28 3.99 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 0.00 0.00 0.00 56 I 8.27 3.67 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 1.69 0.49 0.91 0.00 0.00 57 E 8.34 4.11 0.00 2.15 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 0.00 2.37 2.34 0.00 58 A 7.68 3.94 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 59 A 8.03 3.95 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 60 M 8.71 3.96 0.00 2.17 2.28 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 2.77 2.58 0.00 61 R 7.88 3.90 0.00 2.06 2.01 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 62 M 7.69 4.04 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 63 I 7.47 3.84 1.98 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 1.74 0.99 0.91 0.00 0.00 64 E 8.76 4.05 0.00 2.09 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 2.33 2.52 0.00 65 G 8.20 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.22 4.20 4.31 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 1.21 0.00 0.00 67 A 7.81 4.10 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 68 R 7.94 3.85 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 69 S 7.43 4.32 0.00 4.12 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 70 M 7.60 4.63 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.84 0.00 71 G 9.35 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.06 4.62 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 1.15 1.44 0.97 0.00 0.00