NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1529 8.0327 115.2271 61.4715 69.1797 174.7734 2 V 3.4288 6.4628 126.2834 63.9879 32.3206 174.2106 3 L 4.7366 8.1853 121.0494 53.2605 44.1483 175.5813 4 H 4.7575 9.5139 124.1748 54.1471 31.6978 176.6605 5 V 3.6132 8.1324 120.7004 66.4770 31.3917 177.5323 6 Q 3.9531 8.1849 117.1617 59.4927 28.3781 178.7601 7 E 4.0644 8.2929 117.5441 59.9932 29.4215 179.3623 8 I 3.9349 7.4976 119.2694 64.1087 36.9787 178.3742 9 R 4.1924 7.7772 117.8763 58.3764 30.1643 177.7825 10 D 4.6074 8.2512 117.0888 54.7351 41.1890 176.2085 11 M 4.3869 7.1597 118.5991 54.6847 33.5388 174.9997 12 T 4.6217 7.9375 113.5915 59.6583 69.9422 173.1591 13 P 4.1931 0.0000 0.0000 66.1247 31.1707 178.6585 14 A 4.1138 7.9624 118.3807 54.7005 18.3126 179.2508 15 E 3.9951 8.7132 117.8409 59.1876 29.5337 179.5637 16 R 3.9080 7.8584 117.8167 59.3687 30.4432 178.6887 17 E 3.9486 8.0919 117.6134 59.2650 29.2294 179.2903 18 A 4.0764 7.7107 120.9721 54.8434 18.5814 179.2858 19 E 3.9170 8.3928 118.1619 59.4486 29.5669 178.2287 20 L 3.9688 8.6048 121.2451 57.8992 41.9647 178.3672 21 D 4.3893 8.3374 118.8732 57.4274 40.8852 179.2296 22 D 4.3716 7.7713 119.5090 57.2626 40.9949 178.4147 23 L 3.9719 7.9928 119.3167 57.9359 41.6902 179.5500 24 K 3.8585 8.2889 118.5645 60.1329 31.9349 179.4052 25 T 3.8713 7.6410 115.4272 66.5804 68.3918 176.3680 26 E 3.8998 8.2101 121.2673 59.0478 29.5198 178.5972 27 L 3.8975 8.4201 120.6799 58.1572 42.1529 178.6195 28 L 3.9333 8.2851 120.6176 58.4338 42.1478 178.6637 29 N 4.3809 8.5967 115.8878 55.4135 38.4559 177.5156 30 A 3.9578 7.8892 122.8244 55.2477 18.6059 179.7272 31 R 3.8620 8.2767 116.7215 59.3980 30.2436 179.0910 32 A 3.9934 8.2327 120.6548 55.3344 18.3762 179.9268 33 V 3.5859 7.7170 116.1978 66.0043 31.4557 178.0780 34 Q 4.0517 8.1920 119.3727 58.8680 28.6720 177.7902 35 A 3.9959 8.4163 121.3051 54.6534 18.4029 178.3851 36 A 4.4625 7.6798 116.6581 51.4245 18.7463 177.6257 37 G 3.8516 8.1611 106.1348 46.8524 0.0000 174.5905 38 G 3.5812 8.4244 109.1696 45.5818 0.0000 174.3958 39 A 4.3847 8.6176 128.0530 53.2677 19.0617 177.5482 40 P 4.5583 0.0000 0.0000 62.9468 30.5068 176.3391 41 E 4.2402 8.4542 119.9404 57.8690 30.6688 177.2980 42 N 4.8666 8.6133 111.4802 54.7108 40.6845 175.2383 43 P 4.0926 0.0000 0.0000 64.9007 32.2468 178.3068 44 G 3.7073 8.1412 104.3724 47.3152 0.0000 175.4676 45 R 4.0015 8.6789 121.3827 59.0490 29.3721 178.2489 46 I 3.7779 7.6909 117.7602 63.6039 37.3997 177.5223 47 K 4.2784 7.7262 119.4780 59.1336 32.0700 178.7113 48 E 3.9756 7.8818 119.0346 59.3850 29.5583 178.9638 49 L 4.0974 8.5504 119.3448 58.0875 41.6182 180.0784 50 R 3.9309 7.5196 118.1434 59.1689 29.9902 179.2162 51 K 3.9590 7.7560 117.1721 59.2905 31.9539 179.2017 52 A 3.9806 8.4935 121.4030 55.3843 18.3352 179.7381 53 I 3.6223 7.7206 117.7013 64.3585 37.0635 178.5487 54 A 3.9964 7.9459 121.6316 55.1282 18.1862 179.8251 55 R 3.8449 8.2687 116.8449 59.5972 30.1546 179.2737 56 I 3.7152 7.9852 119.7037 64.5039 37.2351 178.7288 57 K 3.9907 8.1934 119.1827 59.5464 31.8104 179.5788 58 T 3.8642 8.2072 116.4618 66.8131 68.3748 176.7518 59 I 3.7178 8.1386 122.0308 64.4838 37.0561 178.3711 60 Q 4.1776 8.4111 119.1979 58.9993 28.3454 179.5416 61 G 3.5316 7.9338 106.1878 47.7143 0.0000 175.5964 62 E 4.0347 7.9436 120.1219 59.2875 29.7214 179.2036 63 E 4.2151 8.6585 116.2741 57.2168 29.5217 177.8269 64 G 3.7910 7.0012 107.1270 46.3765 0.0000 173.3994 65 D 4.7432 8.3850 125.2826 54.3007 42.0264 175.9093 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 T 8.03 4.15 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 1.25 0.00 0.00 2 V 6.46 3.43 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 0.76 0.00 0.00 0.93 0.00 0.00 3 L 8.19 4.74 0.00 1.62 1.50 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.51 4.76 0.00 3.20 3.23 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.13 3.61 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 1.08 0.00 0.00 0.94 0.00 0.00 6 Q 8.18 3.95 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 7 E 8.29 4.06 0.00 2.07 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 2.33 2.46 0.00 8 I 7.50 3.93 2.06 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 1.40 0.91 0.00 0.00 9 R 7.78 4.19 0.00 1.94 1.99 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 10 D 8.25 4.61 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.16 4.39 0.00 2.05 2.18 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 2.92 2.47 0.00 12 T 7.94 4.62 4.36 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 1.32 0.00 0.00 13 P 0.00 4.19 0.00 2.19 2.13 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 14 A 7.96 4.11 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 15 E 8.71 4.00 0.00 2.20 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 2.33 2.34 0.00 16 R 7.86 3.91 0.00 1.97 1.97 0.00 3.13 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 1.72 1.91 0.00 17 E 8.09 3.95 0.00 2.03 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 2.51 2.69 0.00 18 A 7.71 4.08 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 E 8.39 3.92 0.00 2.23 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 2.31 2.36 0.00 20 L 8.60 3.97 0.00 1.95 1.77 0.92 1.44 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 21 D 8.34 4.39 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.37 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 23 L 7.99 3.97 0.00 1.81 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.29 3.86 0.00 1.77 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 25 T 7.64 3.87 4.41 0.00 0.00 0.00 0.00 0.00 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 26 E 8.21 3.90 0.00 2.04 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 0.00 2.31 2.32 0.00 27 L 8.42 3.90 0.00 1.87 1.91 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.29 3.93 0.00 1.88 1.79 0.92 0.64 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 29 N 8.60 4.38 0.00 2.76 2.85 0.00 0.00 6.94 8.78 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 30 A 7.89 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.86 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 32 A 8.23 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 33 V 7.72 3.59 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 0.95 0.00 0.00 0.97 0.00 0.00 34 Q 8.19 4.05 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 35 A 8.42 4.00 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 36 A 7.68 4.46 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 37 G 8.16 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.42 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.38 1.30 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 0.00 0.00 40 P 0.00 4.56 0.00 2.19 2.15 0.00 3.73 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 1.98 1.99 0.00 41 E 8.45 4.24 0.00 1.94 1.96 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 2.34 2.43 0.00 42 N 8.61 4.87 0.00 2.69 2.69 0.00 0.00 6.85 8.03 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 43 P 0.00 4.09 0.00 2.17 2.03 0.00 3.60 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 2.10 2.20 0.00 44 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 4.00 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 46 I 7.69 3.78 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 1.18 0.97 0.00 0.00 47 K 7.73 4.28 0.00 1.97 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 48 E 7.88 3.98 0.00 2.12 1.96 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 2.69 2.48 0.00 49 L 8.55 4.10 0.00 1.63 1.74 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.52 3.93 0.00 2.21 1.97 0.00 3.12 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 1.64 1.86 0.00 51 K 7.76 3.96 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 52 A 8.49 3.98 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 53 I 7.72 3.62 2.03 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 1.12 0.91 0.00 0.00 54 A 7.95 4.00 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 55 R 8.27 3.84 0.00 2.01 1.99 0.00 3.13 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 1.64 1.94 0.00 56 I 7.99 3.72 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 0.82 0.91 0.00 0.00 57 K 8.19 3.99 0.00 2.02 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 58 T 8.21 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 59 I 8.14 3.72 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 1.85 1.10 0.91 0.00 0.00 60 Q 8.41 4.18 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 61 G 7.93 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 62 E 7.94 4.03 0.00 2.07 2.03 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 2.35 2.54 0.00 63 E 8.66 4.22 0.00 1.90 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 2.57 2.47 0.00 64 G 7.00 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 65 D 8.38 4.74 0.00 2.69 2.92 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