NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0630 8.0544 120.3221 61.5226 32.7599 174.1686 2 D 4.4461 8.4377 122.1914 52.5380 42.9351 174.7442 3 N 4.6047 6.2943 122.9782 52.5988 40.5817 174.6552 4 K 3.5339 7.1223 115.3198 57.7354 29.2064 178.5386 5 F 4.8994 7.0581 120.9445 57.0594 38.2707 176.8130 6 N 4.6587 7.9790 121.6795 55.8958 39.5615 178.1007 7 K 4.0196 8.1721 118.5250 59.5794 32.1769 178.5320 8 E 4.0019 7.8254 117.8977 59.2820 29.3198 179.2431 9 L 4.2444 7.9142 118.6365 57.3510 41.1311 179.4371 10 S 4.1062 7.8085 113.7055 61.2435 62.4915 176.3407 11 V 3.6190 7.6913 120.0542 65.8137 31.5229 177.7143 12 A 4.0814 8.6632 120.8528 55.0906 18.2162 179.7189 13 G 3.6059 8.1108 104.2052 48.0881 0.0000 175.8280 14 R 3.9148 7.7089 121.2424 58.9032 30.0572 178.4891 15 E 3.9772 8.1187 117.9699 59.5036 29.2482 179.4278 16 I 3.5758 7.7521 118.9124 64.0563 37.1211 178.3699 17 V 3.8472 7.8317 119.1311 65.2624 31.4633 176.2365 18 T 4.6786 7.6560 111.8927 61.0947 68.3450 173.6816 19 L 4.1748 7.6480 119.3699 54.3328 40.9698 176.1462 20 P 4.3739 0.0000 0.0000 65.3834 31.1743 176.7569 21 N 4.9422 7.9969 113.6942 52.5567 39.7067 173.5297 22 L 4.5588 7.3762 119.0667 53.5351 43.8076 175.3544 23 N 5.0081 8.1424 119.6915 50.6190 39.7979 175.4501 24 D 4.3888 8.6747 119.1512 56.1139 39.8592 177.1786 25 P 4.2604 0.0000 0.0000 65.5677 31.3278 178.5876 26 Q 4.0889 8.0523 117.4522 58.6710 28.6816 178.6394 27 K 4.0806 7.8582 119.9350 60.0584 32.3880 178.9417 28 K 4.0026 8.0149 118.9207 59.5340 31.9890 179.1001 29 A 4.0028 7.9990 120.2708 54.9152 18.2774 179.4881 30 F 3.7893 8.7062 119.7440 61.6565 39.5550 177.4779 31 I 3.9742 8.7565 119.8642 64.5971 36.9044 178.5315 32 F 4.0732 9.0114 118.9770 60.4239 38.6166 177.8201 33 S 4.3090 8.5306 114.2110 61.0549 62.8122 176.2618 34 L 4.0179 8.3640 123.7071 57.7356 41.9181 178.5125 35 W 4.2428 8.8225 127.7366 60.4495 30.7424 177.2151 36 D 4.6163 7.9437 116.5859 56.1277 41.8597 176.1192 37 D 4.6985 8.2629 120.4298 51.6282 41.7545 174.0203 38 P 4.6405 0.0000 0.0000 63.7173 31.9815 179.2333 39 S 4.2268 8.0799 114.3552 61.5177 62.5665 175.1045 40 Q 4.4466 7.9819 117.5499 55.8651 28.4442 177.2733 41 S 4.1056 8.2108 117.6934 61.5005 62.4300 176.1882 42 A 3.9550 7.7168 122.8937 55.4429 18.1958 179.4890 43 N 4.3927 8.1092 114.3677 56.1177 38.5414 177.6796 44 L 4.2107 8.5783 121.0443 57.7317 41.9379 178.9758 45 L 3.8934 8.1456 120.1075 58.2514 41.9960 178.9113 46 A 3.9912 7.9174 120.2030 55.2434 18.2663 179.1634 47 E 4.1262 8.8350 117.9848 59.2667 29.5570 178.9725 48 A 3.1939 8.1965 121.2533 54.8692 18.3184 179.7367 49 K 3.8441 7.7733 116.3544 59.5179 31.9196 179.7099 50 K 3.9456 8.2545 118.0003 59.5391 32.4132 178.8514 51 L 4.1706 8.3746 121.0882 57.9385 41.9778 178.5278 52 N 4.4678 8.3494 117.4344 56.1570 36.7710 176.7128 53 D 5.0863 8.0286 120.5907 56.6442 41.3436 177.7228 54 A 4.1342 7.6644 120.4910 55.0014 18.4077 179.1286 55 Q 4.1796 7.9886 114.9292 57.3232 29.6978 176.0603 56 A 4.7129 7.6790 120.9253 49.5644 22.5397 173.5376 57 P 4.7685 0.0000 0.0000 62.3634 32.2488 176.7965 58 K 4.1461 8.5132 119.1059 56.8950 31.9780 176.9277 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 V 8.05 4.06 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 0.93 0.00 0.00 0.90 0.00 0.00 2 D 8.44 4.45 0.00 2.68 2.41 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 3 N 6.29 4.60 0.00 2.22 2.49 0.00 0.00 7.10 7.60 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 4 K 7.12 3.53 0.00 1.86 1.72 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.22 7.81 5 F 7.06 4.90 0.00 3.05 2.98 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 6 N 7.98 4.66 0.00 2.79 2.91 0.00 0.00 6.62 6.85 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 7 K 8.17 4.02 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.51 7.81 8 E 7.83 4.00 0.00 2.25 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 2.25 2.23 0.00 9 L 7.91 4.24 0.00 1.99 1.91 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.81 4.11 0.00 3.88 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 11 V 7.69 3.62 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 0.98 0.00 0.00 1.01 0.00 0.00 12 A 8.66 4.08 1.43 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 13 G 8.11 3.61 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 0.00 0.00 0.00 14 R 7.71 3.91 0.00 2.14 1.95 0.00 3.26 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 1.64 1.83 0.00 15 E 8.12 3.98 0.00 2.18 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 0.00 2.31 2.46 0.00 16 I 7.75 3.58 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.78 0.00 0.00 17 V 7.83 3.85 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 0.75 0.00 0.00 0.99 0.00 0.00 18 T 7.66 4.68 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 1.27 0.00 0.00 19 L 7.65 4.17 0.00 1.79 1.82 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.37 0.00 2.18 2.22 0.00 3.67 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 1.97 1.98 0.00 21 N 8.00 4.94 0.00 2.62 2.90 0.00 0.00 7.08 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 22 L 7.38 4.56 0.00 1.56 1.48 0.84 0.85 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 23 N 8.14 5.01 0.00 2.89 2.90 0.00 0.00 5.72 8.09 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 24 D 8.67 4.39 0.00 2.84 2.98 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 25 P 0.00 4.26 0.00 2.28 2.33 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 26 Q 8.05 4.09 0.00 2.36 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 27 K 7.86 4.08 0.00 1.98 2.22 0.00 1.33 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.59 7.81 28 K 8.01 4.00 0.00 1.93 1.70 0.00 1.36 0.00 0.00 0.98 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.52 7.81 29 A 8.00 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 30 F 8.71 3.79 0.00 3.32 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 31 I 8.76 3.97 2.41 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 1.67 0.88 0.97 0.00 0.00 32 F 9.01 4.07 0.00 3.36 3.23 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 33 S 8.53 4.31 0.00 4.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.02 0.00 1.85 2.08 1.02 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.82 4.24 0.00 3.36 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.62 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.70 0.00 2.69 2.53 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 38 P 0.00 4.64 0.00 2.49 2.31 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.80 0.00 39 S 8.08 4.23 0.00 4.09 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 40 Q 7.98 4.45 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 41 S 8.21 4.11 0.00 3.90 4.07 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 0.00 0.00 0.00 0.00 42 A 7.72 3.96 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 43 N 8.11 4.39 0.00 2.93 2.91 0.00 0.00 7.08 6.73 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 44 L 8.58 4.21 0.00 1.92 1.95 1.02 0.79 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 45 L 8.15 3.89 0.00 1.77 1.87 0.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.92 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 4.13 0.00 2.43 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 2.39 2.77 0.00 48 A 8.20 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.77 3.84 0.00 2.00 1.85 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 50 K 8.25 3.95 0.00 1.94 1.92 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 51 L 8.37 4.17 0.00 1.97 1.92 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.35 4.47 0.00 2.81 3.26 0.00 0.00 6.61 8.68 0.00 0.00 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 D 8.03 5.09 0.00 2.68 2.79 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 54 A 7.66 4.13 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 55 Q 7.99 4.18 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 56 A 7.68 4.71 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 57 P 0.00 4.77 0.00 2.19 2.06 0.00 3.77 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 1.98 0.00 58 K 8.51 4.15 0.00 1.76 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.55 7.81