NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4552 8.3044 120.3302 55.3284 32.9776 173.5252 2 K 4.4015 8.6120 123.7724 55.0387 34.2514 175.2907 3 K 4.6749 9.1984 126.3130 56.5771 34.7845 174.8417 4 Y 4.9878 9.0979 119.5925 56.2832 41.7579 174.6714 5 V 4.7143 8.9630 123.4939 61.2529 34.4232 174.2064 6 C 3.3742 8.8305 128.8816 58.5296 31.5862 174.2771 7 T 4.0067 8.2714 117.9825 64.4319 68.3373 176.1287 8 V 3.8312 7.8071 121.6400 64.8808 31.8506 176.0605 9 C 4.6769 8.1271 109.9446 57.2535 30.8702 174.6031 10 G 3.9217 8.6100 109.4864 44.8628 0.0000 173.1031 11 Y 4.1559 7.8763 122.0062 57.7764 39.9782 173.9606 12 E 5.0545 8.0109 127.4593 54.7306 31.5247 174.1257 13 Y 4.5926 9.7101 129.4873 56.8357 40.7988 173.3443 14 D 4.6780 7.6896 125.8303 51.7611 43.0985 174.5152 15 P 4.2522 0.0000 0.0000 65.6157 31.6057 178.6596 16 A 3.9923 7.8769 119.5824 54.1884 18.2940 177.7010 17 E 4.5457 7.9097 112.6370 54.9200 32.0673 178.5648 18 G 4.1789 7.6277 107.7895 46.1689 0.0000 176.4642 19 D 4.9465 9.1599 112.3084 52.4288 43.1174 173.5591 20 P 4.2992 0.0000 0.0000 65.2649 31.9247 178.5289 21 D 4.4691 8.2766 115.7985 55.6541 39.1787 176.6368 22 N 4.9244 8.2397 116.2844 52.8454 39.3654 175.0700 23 G 3.7767 8.4217 105.1338 45.9394 0.0000 174.6599 24 V 3.9741 7.4539 120.2133 60.8880 30.9657 175.6241 25 K 4.4536 8.2597 127.1115 55.2948 32.7249 175.3362 26 P 4.3494 0.0000 0.0000 64.2757 31.6847 177.1596 27 G 3.9112 9.2949 111.0828 45.3623 0.0000 173.7527 28 T 3.9748 7.3464 116.8544 62.7609 68.3492 174.4758 29 A 4.2047 8.4427 130.2148 51.8064 19.3356 177.7704 30 F 3.4508 8.8766 122.9562 61.2722 38.8907 177.3557 31 E 3.7499 7.9631 117.6512 58.7217 29.5184 177.3674 32 D 4.5077 7.6259 116.3317 53.2374 41.5713 176.7629 33 V 3.4382 6.3882 120.3692 61.2503 32.2783 173.9016 34 P 4.1037 0.0000 0.0000 62.8629 31.7381 177.2932 35 A 3.9167 8.5900 124.7643 54.8414 18.4670 177.9409 36 D 4.7840 7.8731 113.1385 52.8306 39.7630 176.1136 37 W 4.2691 7.8911 129.9882 57.5796 31.1865 175.7563 38 V 4.3826 6.9036 117.0224 58.7604 34.8955 174.9595 39 C 3.8319 8.6798 122.5139 58.9255 31.6841 172.9834 40 P 3.9542 0.0000 0.0000 65.0869 31.0569 177.2673 41 I 4.1255 7.1571 117.0189 61.8674 37.9503 175.8801 42 C 4.6290 7.8066 111.3485 56.7409 30.8235 174.9754 43 G 3.7885 8.3497 108.4218 44.9012 0.0000 173.7659 44 A 4.0924 7.6934 123.0049 51.6326 19.0657 175.6738 45 P 4.9065 0.0000 0.0000 61.7707 32.8200 177.4286 46 K 4.1181 8.8844 118.1051 59.8019 31.9166 179.4840 47 S 4.4241 8.2532 111.4297 60.4661 63.1422 174.4004 48 E 4.5036 8.7388 120.6024 56.5167 29.5399 175.5907 49 F 4.9832 8.3889 118.4877 56.6747 41.0774 175.0146 50 E 4.8296 9.1010 118.6339 54.0442 33.9716 173.5820 51 P 3.0729 0.0000 0.0000 62.5040 32.1543 176.1920 52 A 4.2379 8.2751 124.8075 52.0149 18.6320 176.9480 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 M 8.30 4.46 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 K 8.61 4.40 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.47 7.81 3 K 9.20 4.67 0.00 1.75 1.77 0.00 1.63 0.00 0.00 2.04 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.45 7.81 4 Y 9.10 4.99 0.00 2.42 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.96 4.71 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 1.00 0.00 0.00 0.92 0.00 0.00 6 C 8.83 3.37 0.00 2.19 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.01 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 1.20 0.00 0.00 8 V 7.81 3.83 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 0.83 0.00 0.00 0.92 0.00 0.00 9 C 8.13 4.68 0.00 3.09 2.97 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 10 G 8.61 3.92 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 0.00 0.00 0.00 11 Y 7.88 4.16 0.00 3.18 2.96 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 0.00 0.00 0.00 12 E 8.01 5.05 0.00 1.92 1.63 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 2.12 2.25 0.00 13 Y 9.71 4.59 0.00 3.36 2.89 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 14 D 7.69 4.68 0.00 2.56 2.26 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 15 P 0.00 4.25 0.00 2.22 2.17 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 16 A 7.88 3.99 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 17 E 7.91 4.55 0.00 1.86 1.93 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 2.19 2.14 0.00 18 G 7.63 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 19 D 9.16 4.95 0.00 3.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.26 2.14 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 21 D 8.28 4.47 0.00 2.82 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 22 N 8.24 4.92 0.00 3.01 2.94 0.00 0.00 7.01 8.48 0.00 0.00 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 8.42 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.45 3.97 2.28 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 1.05 0.00 0.00 0.87 0.00 0.00 25 K 8.26 4.45 0.00 1.86 1.72 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.47 7.81 26 P 0.00 4.35 0.00 2.03 2.16 0.00 3.65 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 2.03 2.24 0.00 27 G 9.29 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.35 3.97 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 1.10 0.00 0.00 29 A 8.44 4.20 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 30 F 8.88 3.45 0.00 2.52 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 0.00 0.00 0.00 31 E 7.96 3.75 0.00 1.96 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 2.21 2.35 0.00 32 D 7.63 4.51 0.00 2.70 2.58 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 33 V 6.39 3.44 1.08 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 -0.34 0.00 0.00 0.02 0.00 0.00 34 P 0.00 4.10 0.00 2.24 1.97 0.00 3.42 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 2.12 2.06 0.00 35 A 8.59 3.92 1.23 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 0.00 0.00 0.00 0.00 0.00 36 D 7.87 4.78 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.89 4.27 0.00 3.14 2.96 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 0.00 0.00 0.00 38 V 6.90 4.38 2.02 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 0.73 0.00 0.00 0.65 0.00 0.00 39 C 8.68 3.83 0.00 3.30 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 40 P 0.00 3.95 0.00 1.40 1.89 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 41 I 7.16 4.13 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.40 0.92 0.00 0.00 42 C 7.81 4.63 0.00 3.00 2.96 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 0.00 0.00 0.00 43 G 8.35 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 44 A 7.69 4.09 1.35 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 0.00 0.00 45 P 0.00 4.91 0.00 2.32 2.25 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 46 K 8.88 4.12 0.00 1.84 1.85 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.61 7.81 47 S 8.25 4.42 0.00 4.07 4.08 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 0.00 0.00 0.00 0.00 48 E 8.74 4.50 0.00 2.31 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 2.39 2.49 0.00 49 F 8.39 4.98 0.00 3.24 2.95 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 0.00 0.00 0.00 50 E 9.10 4.83 0.00 1.78 1.70 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 2.25 2.42 0.00 51 P 0.00 3.07 0.00 1.66 1.47 0.00 3.54 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 1.77 0.00 52 A 8.28 4.24 1.14 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