NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4702 8.2876 120.1686 56.2647 30.7803 174.0217 5 I 4.4065 7.8090 116.7717 57.8749 40.8608 174.2861 6 D 4.4933 8.3562 122.6956 54.5830 42.7427 177.9689 7 S 5.0101 8.0704 115.9185 56.5685 62.2996 172.6560 8 F 4.4639 7.4648 120.6458 59.3344 48.1100 177.0746 9 S 4.5058 8.0026 114.2921 57.6380 63.7602 172.7241 10 G 4.3916 8.5986 109.5920 43.7601 0.0000 171.1639 11 A 4.6416 7.4314 122.7321 50.6914 16.5568 179.4625 12 K 4.7680 8.4013 119.4282 57.4428 35.8047 174.2427 13 I 4.5221 7.7675 121.1550 59.2837 39.4398 175.6019 14 Y 4.1910 8.7416 124.1398 57.9811 38.0804 175.1828 15 P 4.4050 0.0000 0.0000 65.1927 31.5718 177.8060 16 G 4.0995 8.1579 102.4325 44.9520 0.0000 171.6417 17 R 4.5836 8.1220 117.9659 53.7587 33.5843 175.1739 18 G 4.0076 8.9142 105.6434 46.4783 0.0000 173.5129 19 T 4.7255 8.5344 119.9019 62.0109 71.7294 173.2629 20 L 4.6426 8.1770 121.7101 54.3759 42.7505 175.7026 21 F 4.2090 8.5237 124.4574 55.9085 42.5079 174.4262 22 V 4.4459 9.2933 119.7377 59.7996 33.5018 175.4493 23 R 4.6207 8.1892 121.5836 54.6610 33.4000 177.9445 24 G 3.2521 8.3724 101.2911 47.5863 0.0000 175.8647 25 D 4.5546 8.8800 117.2262 53.0682 42.5971 176.1356 26 S 4.0152 8.5687 115.8858 58.8039 62.7796 173.6068 27 K 3.9700 8.4007 125.2942 57.5272 34.0563 172.9089 28 I 3.7172 8.5604 120.8303 61.9999 37.4210 173.5430 29 F 4.4530 7.9958 121.6379 57.8690 39.1916 175.3026 30 R 4.5747 8.5006 128.1631 56.6411 32.1347 175.0201 31 F 4.9866 7.7079 114.2926 56.9743 43.3736 174.7083 32 Q 4.5880 9.0476 123.1468 57.8521 29.2637 175.3997 33 N 4.2249 7.4406 110.5223 53.3081 42.8229 173.3608 34 S 4.1885 8.7030 114.7471 59.2126 63.5659 173.2404 35 K 4.0635 8.4404 135.0000 57.0999 35.3173 177.1321 36 S 4.3453 9.8869 127.3725 60.4923 62.8476 173.6519 37 A 4.6101 7.9026 135.0000 52.2870 19.9387 177.9616 38 S 4.1488 7.4948 111.6037 60.3814 63.3292 176.6922 39 L 3.9305 7.5625 123.3421 58.0580 41.9131 178.4689 40 F 3.9588 8.1007 119.0675 60.7658 39.4627 176.4749 41 K 4.0786 8.4129 119.1998 58.5450 32.4735 177.2772 42 Q 3.9790 7.7668 116.6672 55.5350 29.1257 175.9867 43 R 3.6433 8.2496 120.4393 56.2756 30.1159 175.9487 44 K 4.5210 7.8094 122.8731 54.9282 34.9524 174.3935 45 N 5.1204 8.4583 121.6093 50.8068 40.3428 174.4006 46 P 4.4075 0.0000 0.0000 65.3659 32.1249 176.4934 47 R 4.6091 7.1442 116.9753 53.0464 28.2641 174.0369 48 R 4.7126 7.4705 126.1280 55.7156 33.6563 174.0202 49 I 4.2045 7.7603 110.7282 59.7177 39.4778 176.1728 50 A 2.9782 8.0210 127.6363 52.3082 17.7244 174.8327 51 W 4.4646 8.5808 124.8668 58.3508 30.9846 176.6738 52 T 4.1691 6.6840 121.5848 61.2644 71.9749 175.3714 53 V 3.2407 8.0064 124.9815 65.7037 31.8817 177.0832 54 L 3.9644 7.6665 120.4397 57.6343 42.1786 177.1171 55 F 3.9645 7.4954 119.7407 58.3808 39.9250 174.9189 56 R 3.6594 6.4046 120.4596 56.5969 30.7281 175.9014 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 E 8.29 4.47 0.00 1.93 1.99 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 2.27 2.30 0.00 5 I 7.81 4.41 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.19 0.92 0.00 0.00 6 D 8.36 4.49 0.00 2.85 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 7 S 8.07 5.01 0.00 3.64 3.63 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 F 7.46 4.46 0.00 3.22 3.14 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 9 S 8.00 4.51 0.00 3.95 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 10 G 8.60 4.39 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 0.00 11 A 7.43 4.64 1.16 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 0.00 0.00 12 K 8.40 4.77 0.00 1.65 1.71 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.18 7.81 13 I 7.77 4.52 2.03 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 1.53 0.78 1.08 0.00 0.00 14 Y 8.74 4.19 0.00 2.81 3.01 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 15 P 0.00 4.40 0.00 2.09 2.15 0.00 3.77 0.00 0.00 3.74 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 16 G 8.16 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 0.00 0.00 0.00 17 R 8.12 4.58 0.00 1.42 1.66 0.00 2.93 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 18 G 8.91 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 19 T 8.53 4.73 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 L 8.18 4.64 0.00 1.51 1.63 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.52 4.21 0.00 3.48 3.14 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 22 V 9.29 4.45 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 1.05 0.00 0.00 0.93 0.00 0.00 23 R 8.19 4.62 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 24 G 8.37 3.25 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 0.00 25 D 8.88 4.55 0.00 2.68 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 26 S 8.57 4.02 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.97 0.00 1.90 1.82 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.48 1.26 7.81 28 I 8.56 3.72 1.80 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.78 0.00 0.00 29 F 8.00 4.45 0.00 3.10 2.49 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 0.00 30 R 8.50 4.57 0.00 1.78 2.06 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 31 F 7.71 4.99 0.00 3.28 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 32 Q 9.05 4.59 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.78 0.00 0.00 0.00 0.00 0.00 2.77 2.43 0.00 33 N 7.44 4.22 0.00 2.79 2.72 0.00 0.00 6.85 7.57 0.00 0.00 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 8.70 4.19 0.00 3.72 3.75 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 35 K 8.44 4.06 0.00 1.85 1.38 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.28 7.81 36 S 9.89 4.35 0.00 4.06 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 37 A 7.90 4.61 0.77 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 0.00 0.00 38 S 7.49 4.15 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 39 L 7.56 3.93 0.00 1.64 1.81 0.96 0.97 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 40 F 8.10 3.96 0.00 2.92 3.24 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 0.00 41 K 8.41 4.08 0.00 1.78 2.01 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.59 7.81 42 Q 7.77 3.98 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.23 0.00 43 R 8.25 3.64 0.00 1.71 1.79 0.00 3.13 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 44 K 7.81 4.52 0.00 1.56 1.67 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.52 7.81 45 N 8.46 5.12 0.00 2.82 2.78 0.00 0.00 7.03 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 46 P 0.00 4.41 0.00 2.51 2.23 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.30 0.00 47 R 7.14 4.61 0.00 1.83 1.91 0.00 3.29 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 48 R 7.47 4.71 0.00 1.85 2.19 0.00 3.27 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 49 I 7.76 4.20 1.82 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 0.92 0.00 0.00 50 A 8.02 2.98 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 51 W 8.58 4.46 0.00 3.39 3.14 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 52 T 6.68 4.17 4.28 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 1.15 0.00 0.00 53 V 8.01 3.24 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 0.78 0.00 0.00 1.07 0.00 0.00 54 L 7.67 3.96 0.00 1.58 1.65 0.90 0.63 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 55 F 7.50 3.96 0.00 2.85 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 56 R 6.40 3.66 0.00 2.13 2.06 0.00 3.80 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00