NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6237 8.2233 120.1915 53.9489 42.7830 176.3718 6 D 4.2391 8.6716 126.3723 57.0743 40.7464 177.1870 7 D 4.4458 9.0284 120.3439 57.5879 41.1476 178.1749 8 D 4.3209 8.9072 119.7946 57.0537 40.7448 178.8996 9 K 3.9463 7.7764 119.3880 59.2004 31.9725 179.2567 10 K 4.0359 8.0242 119.4998 59.9244 32.1411 178.8654 11 T 3.7644 8.0841 116.2257 66.8728 68.3804 176.2978 12 N 4.2172 8.4128 118.4966 56.0049 38.5050 177.5648 13 W 4.1306 8.1759 120.3449 59.8131 29.1102 178.5768 14 L 3.7423 8.2344 119.1991 57.5190 40.9852 179.6949 15 K 3.8392 8.1883 118.7102 59.3226 31.9186 179.3507 16 R 3.8115 7.9142 118.8103 59.5314 29.9521 178.4421 17 I 3.6600 8.2396 119.9472 64.7105 36.8285 177.8118 18 Y 3.9373 7.8782 119.1742 60.5376 38.6618 177.7307 19 R 3.9257 7.8029 118.7812 59.3238 30.4037 178.3500 20 V 4.1896 7.7707 109.5160 61.3634 32.1316 176.3489 21 R 4.3805 7.1376 117.0215 53.2830 31.0040 173.4700 22 P 4.4030 0.0000 0.0000 61.1567 32.8034 175.5594 23 C 3.8561 9.0368 117.6611 60.0331 31.4877 175.2637 24 V 3.7098 8.4713 120.2435 63.5247 31.4746 177.3494 25 K 3.7528 7.8468 120.2916 58.2305 32.8362 177.1038 26 C 4.2040 7.8064 111.9771 58.0003 30.3757 174.9468 27 K 3.9581 8.1268 118.2715 56.8774 29.9971 175.5214 28 V 4.1130 7.3943 115.3278 64.3305 33.3468 176.0548 29 A 4.2518 7.6566 122.3941 50.8442 19.0190 175.1267 30 P 4.5209 0.0000 0.0000 62.2994 32.1729 176.7090 31 R 4.2468 7.8528 118.3979 56.0303 30.9467 176.1688 32 D 5.0130 8.8780 121.0348 54.6914 42.6858 174.5987 33 W 5.5419 8.1360 117.8645 56.1705 30.9727 172.9878 34 K 4.4207 9.0292 118.7128 55.7812 35.9711 174.7348 35 V 4.5541 8.3655 120.9898 61.9443 32.7594 175.9239 36 K 4.5127 9.1847 129.0284 54.8890 33.8189 178.0036 37 N 4.2618 8.5584 125.9610 53.8249 37.3135 175.8703 38 K 4.6634 7.9759 116.6470 56.3630 32.6583 174.8862 39 H 5.4499 8.4009 117.1941 53.9174 32.2610 172.7242 40 L 4.8426 9.0928 124.3338 53.7914 43.8501 175.0485 41 R 4.8964 9.0317 127.9583 54.4935 31.6394 174.9472 42 I 4.8157 8.8517 128.9491 60.0053 38.5882 175.4302 43 Y 4.8592 8.6432 125.4052 57.7019 38.4193 176.3585 44 N 4.6309 9.4866 118.7091 55.6121 39.1524 175.4498 45 M 5.1050 7.8485 116.5986 52.7898 35.4958 174.7604 46 C 4.9986 8.3153 116.0934 57.9503 31.9839 174.6715 47 K 4.0624 8.5405 121.0942 59.8395 31.7729 178.7728 48 T 3.8844 7.9044 115.5869 66.9938 68.3984 176.3072 49 C 4.2109 8.0711 118.1233 62.5086 28.3341 175.7444 50 F 4.2217 8.4088 122.3061 61.4951 39.1859 176.8512 51 N 4.0289 8.6727 116.4409 56.3407 38.2527 176.9088 52 N 4.2975 8.2773 118.5941 56.5970 39.0238 177.0196 53 S 4.1102 8.2663 116.0741 61.4459 62.6992 176.7365 54 I 3.5883 7.3091 122.8551 64.2523 36.6092 178.0124 55 D 4.3413 7.6525 118.3750 57.0298 40.7751 178.2503 56 I 4.1412 7.8940 111.2787 60.7367 38.1746 176.1545 57 G 3.7076 7.7726 108.5853 46.5143 0.0000 172.6357 58 D 4.7703 8.1226 119.5820 52.2185 42.6886 175.1347 59 D 4.2600 8.3882 124.9719 53.2122 40.0952 178.0707 60 T 3.5690 7.9174 118.2584 67.1190 68.2863 174.6629 61 Y 4.5760 7.5248 114.5887 57.9439 38.4300 175.5429 62 H 4.4722 8.1178 118.5694 55.2176 29.4240 175.6663 63 G 4.2306 8.0157 110.3094 45.3459 0.0000 170.4574 64 H 5.1628 7.3751 113.9500 54.8960 30.6922 173.0354 65 V 4.3219 8.5661 119.3885 61.2564 34.5478 173.7018 66 D 5.3742 8.4132 127.0339 52.7686 43.3193 175.2622 67 W 4.8653 9.0969 122.2808 54.4658 32.7075 174.6095 68 L 4.3389 8.8226 127.1985 55.5886 41.7982 176.6302 69 M 4.2639 9.1195 125.5173 56.5792 32.3862 175.8228 70 Y 4.6568 7.8398 115.2985 55.7403 41.0007 175.6194 71 A 4.1795 9.4157 125.1441 53.9487 18.8257 177.5531 72 D 4.9317 7.9744 115.3752 52.1323 43.0854 175.8537 73 S 4.3316 8.7138 120.0438 58.6605 63.1472 173.8925 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 5 D 8.22 4.62 0.00 2.70 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 6 D 8.67 4.24 0.00 2.85 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 9.03 4.45 0.00 2.91 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 8 D 8.91 4.32 0.00 2.86 2.68 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 0.00 0.00 0.00 0.00 9 K 7.78 3.95 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.65 7.81 10 K 8.02 4.04 0.00 1.97 1.99 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 11 T 8.08 3.76 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 12 N 8.41 4.22 0.00 2.66 2.66 0.00 0.00 7.08 8.00 0.00 0.00 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 W 8.18 4.13 0.00 3.57 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 3.74 0.00 1.64 1.46 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.19 3.84 0.00 1.85 1.78 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.51 7.81 16 R 7.91 3.81 0.00 1.72 2.09 0.00 2.81 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 17 I 8.24 3.66 1.61 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.51 0.00 0.00 18 Y 7.88 3.94 0.00 2.82 3.04 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 0.00 0.00 0.00 0.00 19 R 7.80 3.93 0.00 2.01 2.04 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 20 V 7.77 4.19 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 0.82 0.00 0.00 1.01 0.00 0.00 21 R 7.14 4.38 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 22 P 0.00 4.40 0.00 2.13 2.02 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 23 C 9.04 3.86 0.00 3.02 2.90 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 0.00 0.00 0.00 24 V 8.47 3.71 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 0.83 0.00 0.00 1.02 0.00 0.00 25 K 7.85 3.75 0.00 1.42 1.72 0.00 1.25 0.00 0.00 1.52 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 26 C 7.81 4.20 0.00 3.12 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 27 K 8.13 3.96 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 V 7.39 4.11 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 0.77 0.00 0.00 0.99 0.00 0.00 29 A 7.66 4.25 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 30 P 0.00 4.52 0.00 2.31 1.85 0.00 3.81 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 2.11 2.03 0.00 31 R 7.85 4.25 0.00 2.00 2.31 0.00 3.27 0.00 0.00 3.48 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 32 D 8.88 5.01 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.14 5.54 0.00 3.54 3.13 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 34 K 9.03 4.42 0.00 1.77 1.89 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.40 7.81 35 V 8.37 4.55 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 0.86 0.00 0.00 1.15 0.00 0.00 36 K 9.18 4.51 0.00 1.77 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 37 N 8.56 4.26 0.00 3.06 2.26 0.00 0.00 6.28 7.13 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 38 K 7.98 4.66 0.00 1.87 2.03 0.00 1.48 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.51 7.81 39 H 8.40 5.45 0.00 3.30 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.09 4.84 0.00 1.73 1.66 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 R 9.03 4.90 0.00 1.80 1.64 0.00 2.83 0.00 0.00 2.63 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 42 I 8.85 4.82 2.21 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 1.19 0.00 0.00 43 Y 8.64 4.86 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.49 4.63 0.00 3.10 3.03 0.00 0.00 7.16 7.21 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 45 M 7.85 5.11 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.54 0.00 46 C 8.32 5.00 0.00 3.22 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 47 K 8.54 4.06 0.00 1.91 1.88 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.66 7.81 48 T 7.90 3.88 4.27 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 1.22 0.00 0.00 49 C 8.07 4.21 0.00 3.03 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 50 F 8.41 4.22 0.00 3.13 3.22 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 0.00 51 N 8.67 4.03 0.00 2.76 2.80 0.00 0.00 6.73 6.96 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 52 N 8.28 4.30 0.00 2.83 3.01 0.00 0.00 6.98 7.11 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 53 S 8.27 4.11 0.00 4.35 4.29 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 54 I 7.31 3.59 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 0.80 0.00 0.00 55 D 7.65 4.34 0.00 2.81 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 56 I 7.89 4.14 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.62 0.93 0.00 0.00 57 G 7.77 3.71 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 0.00 0.00 0.00 58 D 8.12 4.77 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.26 0.00 2.76 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 60 T 7.92 3.57 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 61 Y 7.52 4.58 0.00 3.14 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 62 H 8.12 4.47 0.00 3.35 3.36 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.02 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 0.00 0.00 0.00 0.00 64 H 7.38 5.16 0.00 3.15 3.27 0.00 5.47 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.57 4.32 2.23 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 0.36 0.00 0.00 0.93 0.00 0.00 66 D 8.41 5.37 0.00 2.49 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.10 4.87 0.00 3.26 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 68 L 8.82 4.34 0.00 1.70 1.67 1.01 1.10 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 69 M 9.12 4.26 0.00 1.55 1.85 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.46 0.00 70 Y 7.84 4.66 0.00 2.94 2.88 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 71 A 9.42 4.18 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 72 D 7.97 4.93 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 73 S 8.71 4.33 0.00 4.03 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