NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4367 8.1627 118.3251 55.2826 33.5803 173.2813 2 Q 4.7755 8.2609 121.0824 52.7173 31.1496 172.7936 3 I 4.7882 9.0646 120.2366 59.0001 42.1345 173.5179 4 F 5.3763 9.0139 121.2406 55.6691 42.1584 174.7371 5 V 4.8100 9.3073 122.7459 61.1012 34.2367 174.1742 6 K 5.2683 8.9916 127.5984 54.8629 35.3590 176.2715 7 T 5.1869 8.6894 115.2353 59.6434 70.7839 175.9062 8 L 4.0919 8.6304 121.3491 57.3012 41.7708 178.3104 9 T 4.3858 7.7225 107.1248 61.3766 68.9342 174.5747 10 G 4.0961 7.8405 111.8555 45.8591 0.0000 174.9419 11 K 4.1450 7.8711 121.3687 56.7184 33.3561 175.9147 12 T 5.0806 8.5314 123.4616 61.9381 70.9357 173.3282 13 I 4.4939 9.4109 128.7420 60.0008 39.4897 174.7368 14 T 4.8996 8.5326 123.3310 62.1083 70.2318 174.1204 15 L 4.8108 8.5133 124.9604 52.9300 46.0153 175.1974 16 E 4.9951 8.6849 121.7813 55.1678 30.7416 175.6655 17 V 4.6112 8.9846 117.2633 59.8186 36.4738 174.4062 18 E 4.7072 9.3898 120.6313 53.9470 32.5228 176.0023 19 P 4.1379 0.0000 0.0000 65.7076 31.5465 178.0376 20 S 4.4744 7.8698 109.4806 58.4912 63.7371 173.9062 21 D 4.4863 8.1546 123.6370 54.3647 41.3283 176.2940 22 T 4.5941 8.2471 113.8967 61.4610 71.0210 175.7624 23 I 3.6978 8.6127 123.7232 64.4415 37.0212 178.3029 24 E 3.9062 8.2769 120.2240 59.4728 29.4026 178.5036 25 N 4.2625 8.2388 116.9247 56.5899 38.9754 176.8972 26 V 3.5572 7.9456 119.6880 66.0395 31.6257 178.1347 27 K 4.3503 8.6414 119.5654 58.9109 31.8346 179.1154 28 A 4.0138 8.1895 121.1855 55.1541 18.3730 179.8796 29 K 3.9352 8.2767 117.0505 59.6065 32.0447 179.6636 30 I 3.7198 7.9454 120.2273 64.3158 36.9082 178.2321 31 Q 4.2136 8.1329 121.7491 58.8620 28.6810 178.0672 32 D 4.3142 8.1156 118.8671 56.8114 40.8607 177.9599 33 K 4.2697 7.8158 118.4859 57.6426 32.8169 177.3423 34 E 4.6469 8.5706 116.4469 54.9168 30.7666 177.5646 35 G 3.8478 8.1769 107.0831 45.5428 0.0000 173.5376 36 I 4.0656 7.1206 122.2033 59.4253 37.7601 173.9097 37 P 4.4424 0.0000 0.0000 61.9666 32.1081 175.5895 38 P 4.2822 0.0000 0.0000 65.7693 31.3817 178.2009 39 D 4.4754 8.0630 115.6241 55.4117 39.6441 176.6407 40 Q 4.3832 8.2014 118.5409 55.9325 29.3133 174.3618 41 Q 4.8717 8.0115 119.0804 54.3126 31.0939 174.6938 42 R 4.7570 9.0624 123.5114 54.4345 32.9713 174.7441 43 L 5.1466 8.4692 124.0030 53.2488 44.2858 175.5772 44 I 5.0857 8.7045 123.4122 59.5561 41.2031 174.3233 45 F 4.9326 8.9456 127.8018 57.1489 43.2754 174.0358 46 A 3.5552 8.7250 127.1255 53.1933 15.8821 178.0928 47 G 3.9435 8.6192 105.5627 46.7944 0.0000 174.2954 48 K 4.6254 7.7242 117.9580 53.9558 35.8336 175.3355 49 Q 4.6003 8.5469 123.8356 56.1928 29.6789 175.2795 50 L 4.1538 8.8280 126.9274 54.0870 43.1152 176.0826 51 E 4.5176 9.3036 123.1053 55.1757 31.0130 177.3121 52 D 4.3809 9.0491 123.7595 57.4525 41.1016 178.5425 53 G 3.8092 8.0018 105.0946 46.4982 0.0000 173.7151 54 R 4.4041 7.8716 119.9567 55.5654 31.6315 175.2419 55 T 5.0720 8.6688 109.4283 59.4840 71.5392 175.4640 56 L 4.1705 8.4845 122.2182 58.0036 41.9681 180.3874 57 S 4.1911 8.2755 113.2462 61.1445 63.2627 176.1088 58 D 4.2082 7.7331 120.0419 57.1524 40.4902 176.8114 59 Y 4.4995 7.4679 112.4402 57.0245 38.2615 174.7009 60 N 4.1285 7.7457 117.4981 54.4673 37.9130 174.3245 61 I 3.8238 7.7381 117.7002 60.2863 38.1845 175.8549 62 Q 4.6917 8.1771 123.8259 52.8740 31.8406 174.8827 63 K 3.9374 8.3928 117.5627 58.9663 32.4989 176.5503 64 E 3.8965 9.4122 119.8767 57.1979 27.7874 174.9315 65 S 4.5674 7.7882 115.1449 59.0288 64.2743 173.1656 66 T 5.1960 8.6698 118.6271 62.0885 70.3953 173.9330 67 L 5.0121 9.3805 126.5636 53.7037 44.7715 175.0403 68 H 5.3095 9.0258 118.0556 54.0878 31.8674 173.5629 69 L 4.9784 9.0312 124.7582 53.5545 44.1393 174.9411 70 V 4.5629 9.0470 127.5246 61.2321 33.6500 174.2305 71 L 5.2137 8.3499 127.1868 53.0008 43.5210 176.5400 72 R 4.2330 9.0386 123.4704 55.9626 31.0944 176.0864 73 L 4.6421 8.2783 122.0694 52.8371 43.6199 176.5408 74 R 4.1414 8.6626 123.6212 55.7835 30.8568 176.8608 75 G 3.7455 8.6159 110.6686 45.6423 0.0000 173.1787 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 8.16 4.44 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 2 Q 8.26 4.78 0.00 2.18 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 1.71 2.27 0.00 3 I 9.06 4.79 1.86 0.00 0.00 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 1.10 0.67 0.79 0.00 0.00 4 F 9.01 5.38 0.00 2.94 2.91 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 5 V 9.31 4.81 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 8.99 5.27 0.00 1.68 1.68 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 T 8.69 5.19 4.26 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 1.23 0.00 0.00 8 L 8.63 4.09 0.00 1.66 1.78 0.92 0.81 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 9 T 7.72 4.39 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 10 G 7.84 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 11 K 7.87 4.14 0.00 1.88 1.71 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.53 5.08 4.26 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 1.29 0.00 0.00 13 I 9.41 4.49 1.90 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 1.25 0.81 0.92 0.00 0.00 14 T 8.53 4.90 4.25 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 1.03 0.00 0.00 15 L 8.51 4.81 0.00 1.46 1.43 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 5.00 0.00 1.80 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 2.17 2.22 0.00 17 V 8.98 4.61 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 0.62 0.00 0.00 0.88 0.00 0.00 18 E 9.39 4.71 0.00 1.96 1.77 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 2.18 2.22 0.00 19 P 0.00 4.14 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.87 4.47 0.00 3.96 3.95 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 21 D 8.15 4.49 0.00 2.81 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 22 T 8.25 4.59 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.61 3.70 2.19 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 1.75 1.19 0.91 0.00 0.00 24 E 8.28 3.91 0.00 2.18 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 0.00 2.31 2.34 0.00 25 N 8.24 4.26 0.00 2.83 2.97 0.00 0.00 6.90 7.29 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 26 V 7.95 3.56 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 0.94 0.00 0.00 0.93 0.00 0.00 27 K 8.64 4.35 0.00 1.98 1.84 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.48 7.81 28 A 8.19 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.94 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.95 3.72 2.13 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 1.40 0.76 0.91 0.00 0.00 31 Q 8.13 4.21 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 8.12 4.31 0.00 2.87 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 33 K 7.82 4.27 0.00 1.77 1.88 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 34 E 8.57 4.65 0.00 2.07 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 2.42 0.00 35 G 8.18 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 0.00 0.00 0.00 36 I 7.12 4.07 1.87 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 1.30 1.30 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.30 1.97 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.28 0.00 2.17 2.11 0.00 3.60 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 2.12 2.09 0.00 39 D 8.06 4.48 0.00 2.78 2.80 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 0.00 0.00 0.00 40 Q 8.20 4.38 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 41 Q 8.01 4.87 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 42 R 9.06 4.76 0.00 1.80 1.81 0.00 3.10 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.47 5.15 0.00 1.55 1.53 0.90 0.82 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 44 I 8.70 5.09 1.92 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 1.11 0.76 0.91 0.00 0.00 45 F 8.95 4.93 0.00 3.04 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 46 A 8.73 3.56 1.09 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 0.00 0.00 47 G 8.62 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 0.00 0.00 0.00 48 K 7.72 4.63 0.00 1.81 1.67 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.53 7.81 49 Q 8.55 4.60 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 50 L 8.83 4.15 0.00 1.36 1.20 0.70 0.00 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 51 E 9.30 4.52 0.00 2.04 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 2.36 2.45 0.00 52 D 9.05 4.38 0.00 2.73 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 53 G 8.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.40 0.00 2.19 1.82 0.00 3.21 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 55 T 8.67 5.07 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.48 4.17 0.00 1.91 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.28 4.19 0.00 4.00 4.11 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 0.00 0.00 0.00 58 D 7.73 4.21 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.47 4.50 0.00 3.19 3.07 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 60 N 7.75 4.13 0.00 2.88 2.97 0.00 0.00 7.10 8.11 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 61 I 7.74 3.82 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 0.56 0.00 0.00 62 Q 8.18 4.69 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 63 K 8.39 3.94 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.41 3.90 0.00 2.20 2.32 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 2.33 2.29 0.00 65 S 7.79 4.57 0.00 3.74 3.77 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 66 T 8.67 5.20 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 1.23 0.00 0.00 67 L 9.38 5.01 0.00 1.61 1.59 0.72 1.05 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 68 H 9.03 5.31 0.00 3.07 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.03 4.98 0.00 1.72 1.54 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.05 4.56 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 0.94 0.00 0.00 71 L 8.35 5.21 0.00 1.55 1.56 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.04 4.23 0.00 1.65 1.86 0.00 3.12 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 73 L 8.28 4.64 0.00 1.60 1.57 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.66 4.14 0.00 1.80 1.87 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 75 G 8.62 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 0.00 0.00 0.00