NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.6614 8.4449 116.3474 56.7003 30.1490 172.7023 9 M 3.0723 8.7231 119.8101 55.9278 29.6950 170.7435 10 V 4.1725 7.9549 116.9914 60.3361 35.5255 175.0204 11 E 4.0880 8.7763 125.0238 57.1214 29.9334 176.5507 12 E 4.0882 8.6552 123.7878 56.0329 30.0919 177.1748 13 V 3.7930 8.3391 123.9423 61.6804 32.4155 175.8813 14 L 4.5797 7.6861 123.0845 53.7756 43.5128 173.6049 15 E 4.6993 8.4386 111.9513 56.6915 31.6509 171.9527 16 E 3.8689 9.3396 128.5505 56.1787 29.8003 174.4195 17 E 4.8002 8.0603 120.7137 55.0325 31.4936 175.8456 18 E 4.2026 8.3605 117.1924 56.1312 30.4671 176.6503 19 E 4.8204 8.3531 120.8668 54.6013 33.5962 176.9407 20 E 4.4787 8.6203 122.3198 56.1998 27.3629 176.1431 21 Y 4.1414 7.9945 117.5246 57.6849 38.0054 177.4171 22 V 3.7644 8.7009 123.2577 63.6515 32.7791 174.5349 23 V 4.3623 8.2739 126.8299 61.3121 33.1877 174.8536 24 E 3.9662 8.6883 129.4067 57.1954 29.9770 176.7059 25 K 4.1627 6.9495 117.8557 55.5817 34.6320 173.8959 26 V 3.7781 8.1954 119.2251 61.5729 32.0618 176.4245 27 L 4.0227 8.1297 125.8793 57.5735 42.4370 176.2357 28 D 3.7512 6.3092 119.3416 53.5360 46.2324 175.0124 29 R 4.2110 8.7267 120.8083 56.5258 32.9611 175.1249 30 R 4.6061 8.4726 121.4715 55.0634 33.0650 173.8667 31 V 4.6454 8.2940 122.3707 61.3100 33.8430 175.2826 32 V 4.3487 7.9946 124.7037 61.4551 34.2188 174.9287 33 K 4.2362 8.6787 125.7994 56.0754 30.6725 176.4402 34 G 3.8792 7.6594 113.0229 45.3919 0.0000 173.7423 35 K 4.4206 7.0718 122.2053 56.6114 34.5441 175.8823 36 V 4.7563 8.1398 116.5128 62.1440 35.4639 174.7907 37 E 5.4553 8.8283 124.2712 55.5588 33.0133 173.2701 38 Y 4.8942 9.0179 121.5785 55.5679 40.9698 175.0622 39 L 2.9841 7.1712 125.9537 54.8875 43.2506 175.6068 40 L 4.3779 7.4404 124.1674 52.7114 45.8824 175.4236 41 K 3.8858 7.6963 125.1525 55.5648 31.9880 175.2780 42 W 5.1632 8.3275 127.2639 54.7287 31.1996 175.7061 43 K 4.1302 8.2701 124.3678 58.0167 31.9739 176.1304 44 G 4.4322 9.2494 119.1046 45.9513 0.0000 174.3460 45 F 4.2893 7.8118 116.9037 56.1855 39.6977 175.7628 46 S 4.3218 8.7751 119.3279 58.4300 63.1941 175.0660 47 D 4.4162 8.8504 122.1454 56.6277 39.1428 177.7119 48 E 4.1183 8.2692 118.2507 59.2658 29.6625 176.9538 49 D 4.7656 8.0196 118.7892 54.1818 41.0034 176.1240 50 N 4.6783 8.0758 115.0533 53.6386 39.4348 175.1569 51 T 4.6725 8.2387 115.4674 61.0557 70.4075 172.8188 52 W 4.5670 9.5327 129.8654 56.7272 29.6548 175.5933 53 E 4.8299 8.7310 124.4217 53.8606 31.5011 174.5338 54 P 5.5342 0.0000 0.0000 62.5580 31.9189 176.6856 55 E 3.8952 9.2296 122.8608 59.4525 29.5409 178.3967 56 E 4.1179 8.2203 115.9246 59.8711 29.5171 178.5616 57 N 4.5117 8.0882 115.7817 54.6092 38.9697 175.9879 58 L 4.0345 7.2962 120.1224 55.3426 42.4093 177.3731 59 D 4.9805 8.4756 124.6619 53.0331 42.0049 176.9830 60 C 4.8143 7.3883 112.0783 55.2706 30.5319 172.9845 61 P 4.1780 0.0000 0.0000 66.7031 31.1101 177.8206 62 D 4.3099 8.0658 117.1535 57.2796 40.8992 178.1795 63 L 3.9637 7.4988 117.6312 57.7192 41.9137 179.1103 64 I 3.7808 7.7102 118.9989 64.5969 37.0603 177.9665 65 A 4.0369 8.0828 121.2674 55.3452 17.8994 179.1858 66 E 3.8776 7.8985 116.9103 59.2720 30.0766 178.7720 67 F 4.4557 8.2561 120.6493 61.4850 39.6266 177.2456 68 L 3.7701 7.8870 117.3541 56.7710 41.2666 178.8402 69 Q 3.9797 7.9587 119.9021 58.9731 28.9649 178.1532 70 S 4.2610 7.3336 113.1581 61.5363 63.0694 176.3638 71 Q 4.0296 7.7273 121.4416 58.9045 28.3711 177.8838 72 K 4.6731 8.7054 123.7866 54.8312 33.4999 177.8226 73 T 3.4170 8.4838 108.0923 61.5975 67.7605 172.1370 74 A 4.5877 7.2480 132.0575 53.7070 22.2900 177.7674 75 H 4.0721 6.9225 113.9277 57.5099 30.2651 176.0672 76 E 3.8394 8.9810 129.0210 55.5685 29.8098 173.7824 77 T 3.6237 7.9029 107.2193 61.9756 68.9257 171.3852 78 D 4.4465 7.3075 127.4224 54.7795 46.2998 177.6315 79 K 4.3860 8.5507 131.6040 55.4299 31.4002 176.9023 80 S 4.0915 8.7782 121.4460 60.2402 62.8829 171.7858 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 8 H 8.44 4.66 0.00 3.25 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.72 3.07 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 10 V 7.95 4.17 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 0.90 0.00 0.00 0.95 0.00 0.00 11 E 8.78 4.09 0.00 1.96 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 2.32 2.34 0.00 12 E 8.66 4.09 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 13 V 8.34 3.79 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 0.64 0.00 0.00 0.93 0.00 0.00 14 L 7.69 4.58 0.00 1.56 1.60 0.92 0.92 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 15 E 8.44 4.70 0.00 2.05 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 0.00 2.04 2.17 0.00 16 E 9.34 3.87 0.00 2.15 2.14 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 2.20 2.28 0.00 17 E 8.06 4.80 0.00 1.88 1.84 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 2.15 2.25 0.00 18 E 8.36 4.20 0.00 1.98 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 0.00 2.29 2.34 0.00 19 E 8.35 4.82 0.00 2.33 1.87 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 2.25 2.56 0.00 20 E 8.62 4.48 0.00 1.99 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 2.36 2.37 0.00 21 Y 7.99 4.14 0.00 2.65 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 22 V 8.70 3.76 2.19 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 1.06 0.00 0.00 0.96 0.00 0.00 23 V 8.27 4.36 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 0.56 0.00 0.00 1.04 0.00 0.00 24 E 8.69 3.97 0.00 1.91 1.80 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 2.26 2.22 0.00 25 K 6.95 4.16 0.00 1.72 1.48 0.00 2.08 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.17 1.22 7.81 26 V 8.20 3.78 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 0.56 0.00 0.00 0.62 0.00 0.00 27 L 8.13 4.02 0.00 1.06 1.45 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 D 6.31 3.75 0.00 2.55 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 29 R 8.73 4.21 0.00 1.26 1.83 0.00 3.31 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 30 R 8.47 4.61 0.00 1.64 1.72 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.13 0.00 31 V 8.29 4.65 2.07 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 0.87 0.00 0.00 1.02 0.00 0.00 32 V 7.99 4.35 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 0.73 0.00 0.00 0.87 0.00 0.00 33 K 8.68 4.24 0.00 1.95 2.05 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.39 7.81 34 G 7.66 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 35 K 7.07 4.42 0.00 1.87 1.87 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.70 1.39 7.81 36 V 8.14 4.76 2.21 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 1.31 0.00 0.00 1.02 0.00 0.00 37 E 8.83 5.46 0.00 2.43 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 2.38 2.44 0.00 38 Y 9.02 4.89 0.00 2.86 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 39 L 7.17 2.98 0.00 0.27 0.40 0.19 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.44 4.38 0.00 0.49 0.15 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.70 3.89 0.00 1.78 1.44 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.39 7.81 42 W 8.33 5.16 0.00 3.32 3.02 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 43 K 8.27 4.13 0.00 1.83 1.86 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 44 G 9.25 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.81 4.29 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 4.32 0.00 4.05 4.06 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 47 D 8.85 4.42 0.00 2.82 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 48 E 8.27 4.12 0.00 2.03 2.11 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 2.35 2.35 0.00 49 D 8.02 4.77 0.00 2.75 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 50 N 8.08 4.68 0.00 2.85 2.79 0.00 0.00 6.87 7.47 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 51 T 8.24 4.67 4.32 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 1.38 0.00 0.00 52 W 9.53 4.57 0.00 3.28 3.27 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 53 E 8.73 4.83 0.00 2.13 1.97 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 2.86 2.67 0.00 54 P 0.00 5.53 0.00 2.36 2.25 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 55 E 9.23 3.90 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 56 E 8.22 4.12 0.00 2.17 2.11 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 2.32 2.44 0.00 57 N 8.09 4.51 0.00 2.91 2.95 0.00 0.00 6.91 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.30 4.03 0.00 1.71 1.59 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.48 4.98 0.00 2.60 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 60 C 7.39 4.81 0.00 3.05 2.99 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 61 P 0.00 4.18 0.00 2.26 2.33 0.00 3.68 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 2.06 2.02 0.00 62 D 8.07 4.31 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.50 3.96 0.00 1.72 1.65 0.84 0.84 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 64 I 7.71 3.78 1.92 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.71 0.00 0.00 65 A 8.08 4.04 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 66 E 7.90 3.88 0.00 2.13 2.21 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 2.34 2.48 0.00 67 F 8.26 4.46 0.00 3.14 3.33 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 68 L 7.89 3.77 0.00 1.67 1.58 0.69 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.96 3.98 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 70 S 7.33 4.26 0.00 4.10 3.94 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 71 Q 7.73 4.03 0.00 1.80 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 72 K 8.71 4.67 0.00 1.95 1.88 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.42 7.81 73 T 8.48 3.42 4.23 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 1.20 0.00 0.00 74 A 7.25 4.59 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 75 H 6.92 4.07 0.00 3.37 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.98 3.84 0.00 1.90 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 2.27 2.22 0.00 77 T 7.90 3.62 4.23 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 1.24 0.00 0.00 78 D 7.31 4.45 0.00 2.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.55 4.39 0.00 1.74 1.60 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 80 S 8.78 4.09 0.00 4.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00