NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2857 8.1127 119.7054 56.0079 31.5896 173.7683 5 E 4.8122 8.2721 120.4897 53.2350 32.4207 173.7506 6 C 4.2947 9.6626 127.5626 59.2351 32.7951 173.6162 7 D 4.4996 8.6027 126.6731 55.9214 39.7902 175.8308 8 Y 4.3140 6.8513 118.7806 58.8554 40.8923 176.2198 9 C 3.8861 8.1311 114.4940 59.7346 30.7640 175.8349 10 G 4.1440 8.3233 107.1415 44.9258 0.0000 173.5837 11 T 4.3563 7.6801 109.7977 61.3157 70.4495 173.5945 12 D 4.8707 8.5593 122.5274 54.5793 41.7380 176.0007 13 I 4.2184 8.4985 124.7176 59.7580 37.9883 175.3418 14 E 3.8964 8.9891 128.7721 55.5361 29.6635 174.1054 15 P 4.3485 0.0000 0.0000 64.2502 31.5186 175.6075 16 G 3.9793 8.8694 106.1909 46.5479 0.0000 173.3582 17 T 4.5072 7.5218 113.4689 62.6562 72.8446 174.5848 18 G 4.1299 9.0948 108.5596 45.6743 0.0000 172.6044 19 T 4.7926 8.3706 113.4662 61.7333 72.7280 173.2018 20 M 5.0461 8.7359 124.3010 53.9093 34.1186 174.4858 21 F 4.8090 9.4553 130.1058 57.2081 41.3096 174.3575 22 V 4.3214 7.5968 126.1386 61.4978 32.5561 175.3887 23 H 4.1490 8.7938 125.8102 54.6770 29.6575 176.4346 24 K 3.8457 8.7737 122.2891 59.7747 31.9018 177.9337 25 D 4.3918 7.9804 116.2810 54.7147 39.5159 176.4009 26 G 3.8350 7.7897 105.8887 45.0209 0.0000 174.0995 27 A 4.2173 9.1689 122.9628 52.6705 19.6703 176.5399 28 T 5.0282 8.3961 115.4545 62.0660 71.8547 174.0699 29 T 4.6334 9.0341 121.8452 62.1846 72.2576 172.6180 30 H 5.1137 9.9455 125.3461 55.0219 30.4708 174.7755 31 F 5.3188 9.5081 122.4910 55.9647 41.4204 176.3703 32 C 4.4550 9.0776 116.2456 59.8118 30.7698 173.9148 33 S 4.6957 7.6826 114.1249 55.9292 66.7628 174.9910 34 S 4.7039 8.4922 118.6663 60.8537 62.7452 176.1414 35 K 3.7515 8.0524 122.7878 59.7190 31.7938 178.3574 36 C 4.2676 7.7814 116.0318 62.7312 28.1904 175.4975 37 E 2.5736 7.7161 120.0902 59.4647 29.1649 179.3537 38 N 4.1932 8.3530 116.2451 56.4638 38.4176 177.3224 39 N 4.5306 8.1233 117.6051 55.9673 38.5579 177.4771 40 A 4.2537 7.7793 122.3477 55.3554 18.3753 179.4291 41 D 4.2140 7.9240 115.8241 56.7873 40.8964 178.1132 42 L 4.3437 7.2261 116.5542 54.7081 41.9335 177.6528 43 G 3.9724 8.5816 107.9372 45.4893 0.0000 174.0869 44 R 4.3508 7.5219 118.2148 55.4639 31.1341 175.6217 45 E 4.6455 8.4706 119.4705 54.2616 31.6398 176.9699 46 A 3.3413 8.2032 126.4966 55.2864 18.3701 179.8089 47 R 3.8107 7.6738 113.3916 59.0196 30.1959 177.2323 48 N 4.5522 8.1175 113.0889 53.3048 38.8403 174.6295 49 L 4.5744 7.1490 119.9822 52.7065 42.7576 177.4623 50 E 4.0001 8.7767 124.1829 58.5514 29.7200 178.3524 51 W 4.4180 7.8563 114.9428 58.7210 29.0054 177.0083 52 T 3.6587 6.5002 116.8406 62.9830 68.2511 175.0231 53 D 4.3080 8.7185 126.0481 57.8662 41.0595 177.9554 54 T 3.8097 8.0414 115.0991 66.7410 68.6722 175.1058 55 A 3.9913 7.7848 122.6526 55.2426 18.6134 177.5705 56 R 4.0925 7.8140 118.2336 56.5590 30.0954 176.3920 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 4 R 8.11 4.29 0.00 1.88 1.89 0.00 3.01 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 E 8.27 4.81 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 6 C 9.66 4.29 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.60 4.50 0.00 2.65 2.63 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 8 Y 6.85 4.31 0.00 2.82 2.94 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 9 C 8.13 3.89 0.00 3.01 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.68 4.36 4.29 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 1.32 0.00 0.00 12 D 8.56 4.87 0.00 2.61 2.66 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 13 I 8.50 4.22 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 0.97 0.00 0.00 14 E 8.99 3.90 0.00 2.07 1.89 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 2.40 2.39 0.00 15 P 0.00 4.35 0.00 2.22 2.09 0.00 3.97 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 2.01 2.02 0.00 16 G 8.87 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.52 4.51 4.58 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 1.25 0.00 0.00 18 G 9.09 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 0.00 0.00 0.00 19 T 8.37 4.79 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 M 8.74 5.05 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.40 0.00 21 F 9.46 4.81 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 4.32 1.85 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.79 4.15 0.00 3.31 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.77 3.85 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 7.98 4.39 0.00 2.82 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 26 G 7.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 9.17 4.22 1.18 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 28 T 8.40 5.03 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 29 T 9.03 4.63 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 30 H 9.95 5.11 0.00 3.14 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.51 5.32 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 32 C 9.08 4.45 0.00 3.16 3.16 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 0.00 0.00 0.00 33 S 7.68 4.70 0.00 4.05 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 34 S 8.49 4.70 0.00 3.98 4.10 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 0.00 0.00 0.00 35 K 8.05 3.75 0.00 1.75 1.86 0.00 1.39 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.35 1.30 7.81 36 C 7.78 4.27 0.00 3.43 3.29 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 37 E 7.72 2.57 0.00 1.76 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 1.47 2.25 0.00 38 N 8.35 4.19 0.00 2.76 2.79 0.00 0.00 7.15 6.95 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 39 N 8.12 4.53 0.00 3.18 3.17 0.00 0.00 6.86 7.53 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 40 A 7.78 4.25 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.92 4.21 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.23 4.34 0.00 1.95 1.73 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.58 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.52 4.35 0.00 2.15 1.99 0.00 3.27 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.47 4.65 0.00 1.96 1.79 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 2.33 2.29 0.00 46 A 8.20 3.34 0.41 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 0.00 0.00 0.00 47 R 7.67 3.81 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.12 4.55 0.00 2.78 2.84 0.00 0.00 6.91 8.53 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 49 L 7.15 4.57 0.00 1.15 0.92 1.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.78 4.00 0.00 2.03 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 2.30 2.30 0.00 51 W 7.86 4.42 0.00 3.55 3.21 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 52 T 6.50 3.66 3.93 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 0.00 0.00 0.91 0.00 0.00 53 D 8.72 4.31 0.00 2.77 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 54 T 8.04 3.81 3.98 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 0.00 0.00 1.05 0.00 0.00 55 A 7.78 3.99 1.25 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 0.00 0.00 0.00 56 R 7.81 4.09 0.00 1.94 1.83 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00