NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1938 8.2649 123.5820 50.3410 19.7284 176.8472 2 K 3.9470 10.0233 123.8964 57.2369 31.8841 173.0683 3 T 4.3612 8.7774 116.8018 62.7520 73.4558 173.2619 4 I 3.8907 7.7382 121.3302 61.8474 38.3025 175.2941 5 K 3.8443 8.4189 120.0991 57.6386 28.9178 175.0042 6 I 4.5420 8.2464 113.4384 59.4779 40.6917 177.4673 7 T 4.8427 8.4963 117.8262 60.7566 72.3620 173.2269 8 Q 4.2696 8.2506 118.2101 56.0054 29.6973 176.9956 9 T 3.3354 8.1052 120.6440 61.3664 69.4692 175.1472 10 R 4.5960 8.1861 120.9099 55.2106 31.2334 174.3969 11 S 4.4228 7.6160 121.3723 58.3956 66.4981 171.8108 12 A 4.9360 7.4064 127.9372 51.7165 18.0581 181.0573 13 I 3.8398 8.2876 112.0130 63.6827 38.1091 176.2499 14 G 4.0100 9.0682 110.1458 45.3903 0.0000 173.3715 15 R 4.6068 7.2825 117.2896 53.9009 32.4288 175.9407 16 L 4.3311 8.0515 119.7142 53.7257 42.3721 175.2731 17 P 4.3792 0.0000 0.0000 63.4935 31.9933 177.3724 18 K 4.3798 10.4102 116.3769 56.6920 32.7221 178.5904 19 H 4.2093 8.2791 117.6313 59.1995 28.6252 179.0273 20 K 4.5065 8.0314 116.5835 56.5279 30.7939 177.3448 21 A 4.5035 8.1468 121.1992 52.0890 22.2042 180.0345 22 T 3.6156 7.0448 100.5350 65.4795 69.0923 175.8383 23 L 4.2430 8.1708 125.4561 55.4898 42.5419 177.7982 24 L 4.3856 7.6903 118.6384 56.1325 43.3986 174.7704 25 G 4.1823 7.6773 122.2773 45.5903 0.0000 172.0122 26 L 4.4677 7.7870 118.1106 54.1767 44.8851 177.0004 27 G 3.9987 8.4331 105.2397 46.3620 0.0000 175.4678 28 L 4.5619 7.6686 118.9096 52.8144 41.4251 177.0167 29 R 3.9349 7.9805 121.0604 56.3495 31.0953 177.9845 30 R 3.3450 8.1438 115.7460 57.2580 30.1684 174.9110 31 I 4.4858 7.9959 109.0024 60.5560 39.4800 174.5397 32 G 4.0099 8.3466 113.6443 46.5345 0.0000 172.9552 33 H 3.9256 7.5745 122.4984 55.5457 29.5112 174.0499 34 T 4.6649 8.0204 121.3660 60.9186 69.8479 174.0061 35 V 4.1512 8.2585 126.8831 62.0754 32.5852 174.1366 36 E 5.3256 8.3481 117.0572 56.8349 31.4660 176.9171 37 R 4.2619 7.8776 118.0473 55.9931 33.6690 174.6237 38 E 4.0633 8.7759 123.3015 57.2529 29.8888 177.7009 39 D 4.6803 8.5605 125.5271 54.4671 38.9050 174.5133 40 T 4.6762 7.4319 116.5012 58.7971 70.3552 173.0300 41 P 4.3076 0.0000 0.0000 66.2167 31.4623 177.5757 42 A 3.8232 8.4901 119.2854 55.7525 17.9832 179.0215 43 I 3.5626 7.7160 114.9927 63.4885 38.5927 178.2065 44 R 4.0640 8.1702 119.5980 58.9867 29.7911 178.5920 45 G 3.5324 8.2120 105.8048 48.1608 0.0000 175.2291 46 M 4.0030 7.6992 121.0070 58.2657 32.3598 178.7751 47 I 3.7775 7.7718 118.8521 64.4496 37.1758 177.5866 48 N 4.2542 7.8380 116.5040 56.9883 38.7478 176.1109 49 A 4.3371 7.7448 120.1841 53.3908 19.2316 178.7537 50 V 4.3514 7.7828 111.0132 63.5673 32.4631 179.0294 51 S 3.2827 7.7037 107.2142 59.9300 64.1718 174.8236 52 F 4.1758 7.5528 124.3356 61.6784 41.0272 177.3354 53 M 3.1247 8.2850 111.7568 58.2048 31.7262 178.3590 54 V 3.6543 5.4500 120.0233 63.9247 33.1116 175.5297 55 K 4.3717 8.2007 123.1794 54.6296 33.6047 177.3745 56 V 3.8521 8.6642 124.1312 64.2095 32.2102 176.9554 57 E 3.5354 7.0875 118.0834 55.2039 28.7562 176.5585 58 E 4.5934 9.0690 124.2766 55.8291 30.2441 175.8252 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 A 8.26 4.19 1.03 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 0.00 0.00 2 K 10.02 3.95 0.00 2.01 1.88 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.48 7.81 3 T 8.78 4.36 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 4 I 7.74 3.89 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 0.94 0.00 0.00 5 K 8.42 3.84 0.00 1.87 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 I 8.25 4.54 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.94 0.00 0.00 7 T 8.50 4.84 4.26 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 1.18 0.00 0.00 8 Q 8.25 4.27 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 5.81 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 9 T 8.11 3.34 4.30 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 1.23 0.00 0.00 10 R 8.19 4.60 0.00 1.75 1.83 0.00 3.37 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 11 S 7.62 4.42 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.41 4.94 1.11 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 0.00 0.00 13 I 8.29 3.84 1.89 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 1.37 0.92 0.94 0.00 0.00 14 G 9.07 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 0.00 0.00 0.00 15 R 7.28 4.61 0.00 1.67 1.80 0.00 3.40 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 16 L 8.05 4.33 0.00 1.75 1.59 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.38 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 18 K 10.41 4.38 0.00 1.89 1.82 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 19 H 8.28 4.21 0.00 3.26 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.03 4.51 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 21 A 8.15 4.50 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 22 T 7.04 3.62 4.26 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 1.21 0.00 0.00 23 L 8.17 4.24 0.00 1.68 1.79 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.69 4.39 0.00 1.56 1.58 0.92 1.34 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 25 G 7.68 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.79 4.47 0.00 1.60 1.67 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.56 0.00 1.85 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.98 3.93 0.00 1.71 1.82 0.00 3.50 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 30 R 8.14 3.34 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 31 I 8.00 4.49 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 1.35 0.98 0.97 0.00 0.00 32 G 8.35 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 0.00 0.00 0.00 33 H 7.57 3.93 0.00 3.14 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.02 4.66 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 35 V 8.26 4.15 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 1.06 0.00 0.00 0.97 0.00 0.00 36 E 8.35 5.33 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 37 R 7.88 4.26 0.00 1.78 1.78 0.00 3.37 0.00 0.00 3.22 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 38 E 8.78 4.06 0.00 1.95 1.91 0.00 0.00 0.00 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 2.29 0.00 39 D 8.56 4.68 0.00 2.63 2.61 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 0.00 40 T 7.43 4.68 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 1.27 0.00 0.00 41 P 0.00 4.31 0.00 2.06 2.11 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 42 A 8.49 3.82 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 43 I 7.72 3.56 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 1.52 1.59 1.05 0.00 0.00 44 R 8.17 4.06 0.00 2.03 2.11 0.00 3.15 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 45 G 8.21 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.70 4.00 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 47 I 7.77 3.78 1.87 0.00 0.00 0.85 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 0.72 0.90 0.00 0.00 48 N 7.84 4.25 0.00 2.85 3.00 0.00 0.00 7.32 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 49 A 7.74 4.34 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 50 V 7.78 4.35 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 0.86 0.00 0.00 1.06 0.00 0.00 51 S 7.70 3.28 0.00 4.01 3.70 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 52 F 7.55 4.18 0.00 3.05 3.07 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 53 M 8.28 3.12 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 54 V 5.45 3.65 2.05 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 0.72 0.00 0.00 0.94 0.00 0.00 55 K 8.20 4.37 0.00 1.67 1.59 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.10 1.20 7.81 56 V 8.66 3.85 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 0.70 0.00 0.00 0.98 0.00 0.00 57 E 7.09 3.54 0.00 1.97 1.88 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 2.28 2.31 0.00 58 E 9.07 4.59 0.00 1.97 2.16 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 2.08 2.12 0.00