NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4507 8.3044 118.1938 54.9954 32.6235 175.2396 2 V 3.5218 8.4625 121.0933 64.5900 31.9047 174.8499 3 I 4.3592 8.0184 121.5375 59.3198 40.2863 174.3320 4 A 4.7159 8.1600 127.6150 50.4565 21.4652 177.6114 5 T 3.8511 8.3903 115.7153 67.0626 68.1959 176.7462 6 D 4.5778 8.1162 118.9080 56.9460 40.9041 177.5777 7 D 4.6109 8.0014 117.5404 54.9968 41.4168 176.5923 8 L 4.5721 8.1366 119.6622 55.6008 43.9835 176.2555 9 E 5.1264 8.0383 114.7176 54.4307 33.5949 175.6398 10 V 4.4943 8.5232 119.8179 60.8259 35.2235 174.3864 11 A 4.2611 8.7624 129.4115 52.2831 19.3040 176.5135 12 C 4.2283 9.0428 124.0247 58.7419 31.8977 172.9392 13 P 4.3017 0.0000 0.0000 65.5052 31.3857 177.8549 14 K 4.0322 8.2032 119.7080 59.1952 32.4500 177.0640 15 C 4.5311 8.0783 110.9574 56.9172 29.9493 173.1455 16 E 3.8626 8.8825 117.7454 57.7646 27.1671 175.7767 17 R 4.2773 8.3377 116.1467 56.2523 29.4018 176.4751 18 A 3.9893 8.2471 120.0857 55.9165 18.5031 179.2749 19 G 4.0478 8.9167 103.2882 45.1188 0.0000 172.6646 20 E 4.9610 7.6026 117.3474 54.6049 32.2220 175.6813 21 I 4.2146 9.0777 124.8108 60.3307 36.8992 175.4624 22 E 3.6430 9.5375 126.1939 57.6707 27.1898 175.3692 23 G 4.0548 7.3911 108.2790 46.4895 0.0000 175.8344 24 T 4.1675 7.8572 112.1268 59.4695 69.7849 172.1365 25 P 4.7160 0.0000 0.0000 62.7002 31.9487 175.7365 26 C 4.1829 8.7298 122.9992 59.0923 32.1968 172.4202 27 P 4.1206 0.0000 0.0000 65.7901 31.3601 178.1011 28 A 4.0222 8.1458 119.6649 55.6091 18.1562 178.5542 29 C 4.1712 7.9741 107.8866 58.7046 30.8814 173.2413 30 S 3.6463 8.2665 116.4664 59.6891 59.4927 172.7939 31 G 4.0622 8.0461 104.8151 46.0508 0.0000 173.9147 32 K 4.0898 7.7288 118.5509 56.4249 32.7409 179.4546 33 G 4.1278 8.3486 106.7406 45.4194 0.0000 173.2739 34 V 4.8673 7.4747 111.2694 59.5340 35.4905 175.1513 35 I 4.4550 8.5103 124.4340 59.5665 39.4708 175.1023 36 L 4.7029 8.2089 126.5982 54.3817 42.7372 176.8901 37 T 4.2369 8.7083 113.3860 60.8565 70.4247 175.5752 38 A 4.0904 8.7116 123.5069 55.4955 18.1648 179.5550 39 Q 4.0170 8.2092 117.6241 59.2035 29.0086 178.6818 40 G 3.6039 7.8160 106.1185 48.0684 0.0000 175.0826 41 Y 4.3843 7.8165 119.9011 61.0380 38.0798 178.7668 42 T 4.1010 8.1610 116.7162 66.9702 68.6230 176.3629 43 L 4.0908 7.7667 120.3694 57.6918 41.7687 179.0071 44 L 3.9807 8.1408 120.4127 58.3553 42.0263 178.5012 45 D 4.3212 9.0226 118.7286 57.3346 41.2768 177.6073 46 F 4.1705 8.1397 120.6079 61.6203 39.2995 176.9576 47 I 3.4921 8.5368 119.2419 64.6099 36.8145 178.0852 48 Q 3.8954 8.1947 119.2483 59.1192 28.7759 178.4770 49 K 3.9064 7.7756 119.6412 59.5384 32.4558 177.9343 50 H 4.5576 7.1840 112.4152 54.8042 29.5490 175.3851 51 L 3.9760 7.4697 124.0450 55.9636 42.4443 176.1102 52 N 4.1666 8.5963 122.2087 54.4557 36.0150 174.1308 53 K 4.1249 8.0985 123.3287 56.5201 32.3363 175.4149 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 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 V 8.46 3.52 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 0.78 0.00 0.00 0.92 0.00 0.00 3 I 8.02 4.36 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 0.91 0.00 0.00 4 A 8.16 4.72 1.24 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 0.00 0.00 5 T 8.39 3.85 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 1.23 0.00 0.00 6 D 8.12 4.58 0.00 2.61 2.74 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 7 D 8.00 4.61 0.00 2.80 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 0.00 0.00 0.00 8 L 8.14 4.57 0.00 1.64 1.64 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.04 5.13 0.00 1.77 1.78 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 2.14 2.22 0.00 10 V 8.52 4.49 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 1.03 0.00 0.00 0.91 0.00 0.00 11 A 8.76 4.26 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 12 C 9.04 4.23 0.00 3.00 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 13 P 0.00 4.30 0.00 2.21 2.17 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 K 8.20 4.03 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.42 7.81 15 C 8.08 4.53 0.00 3.13 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 16 E 8.88 3.86 0.00 2.11 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 0.00 2.26 2.22 0.00 17 R 8.34 4.28 0.00 1.92 2.18 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 18 A 8.25 3.99 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 19 G 8.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.60 4.96 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 2.20 2.29 0.00 21 I 9.08 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.91 0.00 0.00 22 E 9.54 3.64 0.00 2.11 2.03 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 0.00 2.21 2.28 0.00 23 G 7.39 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.86 4.17 4.24 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 1.21 0.00 0.00 25 P 0.00 4.72 0.00 2.20 2.11 0.00 3.77 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 1.99 1.96 0.00 26 C 8.73 4.18 0.00 2.97 2.84 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 27 P 0.00 4.12 0.00 2.22 2.07 0.00 3.68 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 2.11 2.08 0.00 28 A 8.15 4.02 1.29 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 0.00 0.00 29 C 7.97 4.17 0.00 3.09 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 30 S 8.27 3.65 0.00 4.04 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 31 G 8.05 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 0.00 0.00 0.00 32 K 7.73 4.09 0.00 2.05 2.00 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.52 7.81 33 G 8.35 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 34 V 7.47 4.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.96 0.00 0.00 35 I 8.51 4.46 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.87 0.00 0.00 36 L 8.21 4.70 0.00 0.87 1.15 0.59 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.71 4.24 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 A 8.71 4.09 1.39 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 39 Q 8.21 4.02 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 40 G 7.82 3.60 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 0.00 0.00 0.00 0.00 41 Y 7.82 4.38 0.00 3.23 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 42 T 8.16 4.10 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 L 7.77 4.09 0.00 1.70 1.78 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.14 3.98 0.00 1.91 1.83 0.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.02 4.32 0.00 2.81 2.73 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 0.00 0.00 0.00 0.00 46 F 8.14 4.17 0.00 3.34 3.36 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 47 I 8.54 3.49 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.79 0.92 0.00 0.00 48 Q 8.19 3.90 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 49 K 7.78 3.91 0.00 1.89 1.26 0.00 1.95 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.35 7.81 50 H 7.18 4.56 0.00 2.76 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.47 3.98 0.00 1.68 1.53 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.60 4.17 0.00 2.89 2.88 0.00 0.00 6.87 7.61 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 53 K 8.10 4.12 0.00 1.77 1.64 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81