NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.6622 8.1593 111.0753 61.6731 70.0963 172.7228 6 I 4.4325 8.8589 118.9934 58.0591 41.3701 172.4640 7 R 5.0359 9.0451 124.8784 54.6781 32.1173 176.6639 8 V 4.9610 9.1792 118.8243 59.7462 36.9613 174.3111 9 I 4.9670 9.1791 122.9775 59.6932 40.0751 174.8000 10 V 4.6674 8.8857 128.0262 61.2374 33.4972 174.7455 11 S 4.8531 8.7618 124.8693 58.1676 64.1214 173.8699 12 V 4.7656 8.3797 116.5459 59.4923 36.0191 174.8931 13 D 4.5951 9.1561 123.5798 53.2663 41.1629 177.4395 14 K 4.0540 8.9388 126.5217 59.2741 32.2892 178.3443 15 A 4.2591 8.1905 120.4488 53.5876 18.4942 178.0109 16 K 4.5361 7.7743 112.4683 56.1466 34.7329 176.3812 17 F 4.6901 8.2969 120.8062 57.0234 39.9379 174.3695 18 N 4.5131 7.6857 126.4957 50.6478 38.8351 172.8475 19 P 3.9094 0.0000 0.0000 65.4995 32.0075 178.7383 20 H 4.2046 7.8237 115.9977 58.3413 28.7650 176.5491 21 E 4.2426 7.9950 119.1180 57.5470 29.3398 178.9492 22 V 3.7517 7.5033 119.9379 65.7702 31.5845 177.5796 23 L 4.6072 7.1777 120.6141 57.4302 41.6613 179.0157 24 G 3.8232 7.6195 104.1784 46.7858 0.0000 174.0301 25 I 4.2695 7.4806 111.9091 60.4571 37.8368 175.9711 26 G 3.8367 8.2469 107.7596 46.2974 0.0000 173.8242 27 G 4.3836 7.9413 106.8647 44.6609 0.0000 172.7192 28 H 5.2775 8.8850 114.8581 53.8270 32.3224 172.8414 29 I 4.2661 8.4680 122.1460 61.8750 37.1294 175.5962 30 V 4.1479 9.0906 127.6059 64.7847 32.7130 175.7358 31 Y 4.5652 7.6663 120.4497 56.4048 42.2871 172.9784 32 Q 4.7904 7.7579 125.7362 53.9363 30.2163 175.5483 33 F 4.4143 8.7850 124.0966 57.8134 39.0278 176.0813 34 K 4.2827 9.0338 121.4129 57.5080 32.6415 177.4983 35 L 4.7047 8.1131 116.0819 54.3087 43.0671 176.0792 36 I 4.7028 7.4043 111.0226 58.2475 40.9406 174.1573 37 P 4.7925 0.0000 0.0000 62.1644 29.0582 174.4924 38 A 5.2829 7.7556 126.1600 51.2257 23.7325 175.9503 39 V 5.0967 8.8631 119.3761 60.0176 35.2463 174.7055 40 V 4.7365 9.0684 124.9093 61.0830 33.2908 175.4771 41 V 4.9048 9.1905 116.9714 59.7796 36.1058 173.8973 42 D 5.4275 8.9070 124.4536 52.8842 42.7094 176.0180 43 V 4.6136 8.6814 122.7785 59.0772 35.1951 173.6070 44 P 4.5232 0.0000 0.0000 62.2529 32.0438 176.9829 45 A 3.9665 8.8996 125.0545 55.5801 18.1658 179.0184 46 N 4.4248 8.1658 110.5578 54.8297 37.9011 175.9492 47 A 4.5989 8.2098 120.8299 52.0802 19.3280 178.5473 48 V 3.7509 7.7611 120.2293 66.2550 31.3995 178.2705 49 G 3.6502 8.0701 104.4123 47.7127 0.0000 175.1260 50 K 4.0997 8.1034 120.7309 59.0917 32.0348 178.9335 51 L 4.0629 8.0285 120.2370 58.3284 41.8865 178.8722 52 K 3.9216 8.2933 117.2548 58.7462 32.0350 177.7374 53 K 4.5265 7.2930 114.2896 56.0010 32.7764 176.2211 54 M 4.4008 7.8104 117.5095 53.8856 32.1179 174.2885 55 P 4.3682 0.0000 0.0000 64.0186 32.3244 177.3531 56 G 4.0584 8.9718 109.8516 45.6893 0.0000 173.5008 57 V 3.9215 7.3968 119.4244 63.2139 31.3471 175.0461 58 E 4.4502 8.9301 127.8644 57.7517 30.8277 176.5636 59 K 4.4339 7.4817 117.8073 55.2438 35.8096 174.3898 60 V 4.6858 8.2860 125.2736 61.2447 33.9026 174.1579 61 E 4.5790 9.2089 128.0674 54.4303 31.7613 175.9516 62 F 5.0258 8.2519 122.4578 57.3220 39.9800 174.7633 63 D 4.5709 8.4088 121.9494 54.7115 41.6448 175.2634 64 H 5.0979 8.5361 120.7496 53.6161 32.4684 173.0470 65 Q 4.1121 8.6322 122.3482 55.8234 29.5941 175.1603 66 A 4.7449 8.4000 127.9066 50.5289 20.8514 176.5228 67 V 4.4799 7.8781 119.6757 59.0511 34.3608 175.4359 68 L 3.9473 8.5534 124.3208 55.4713 42.5240 176.5485 69 L 4.2678 8.4145 125.9107 55.1747 42.0833 175.7707 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 T 8.16 4.66 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 1.22 0.00 0.00 6 I 8.86 4.43 1.70 0.00 0.00 0.58 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 0.75 0.77 0.00 0.00 7 R 9.05 5.04 0.00 1.99 1.83 0.00 3.17 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 8 V 9.18 4.96 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.05 0.00 0.00 9 I 9.18 4.97 1.90 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 1.24 0.71 1.01 0.00 0.00 10 V 8.89 4.67 1.90 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 0.84 0.00 0.00 0.93 0.00 0.00 11 S 8.76 4.85 0.00 3.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.77 1.86 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 -0.37 0.00 0.00 0.86 0.00 0.00 13 D 9.16 4.60 0.00 2.91 2.60 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 14 K 8.94 4.05 0.00 1.82 1.92 0.00 1.89 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.43 7.81 15 A 8.19 4.26 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 16 K 7.77 4.54 0.00 1.77 1.87 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 17 F 8.30 4.69 0.00 2.96 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 18 N 7.69 4.51 0.00 2.61 2.45 0.00 0.00 6.96 7.71 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 19 P 0.00 3.91 0.00 2.10 2.34 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 20 H 7.82 4.20 0.00 3.13 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.99 4.24 0.00 2.03 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 2.27 2.40 0.00 22 V 7.50 3.75 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 1.07 0.00 0.00 1.08 0.00 0.00 23 L 7.18 4.61 0.00 1.90 1.66 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.62 3.82 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 0.00 0.00 0.00 25 I 7.48 4.27 1.90 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 1.38 0.94 0.93 0.00 0.00 26 G 8.25 3.84 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 0.00 0.00 0.00 27 G 7.94 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.88 5.28 0.00 3.22 3.38 0.00 5.46 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 29 I 8.47 4.27 1.90 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 1.32 0.60 0.93 0.00 0.00 30 V 9.09 4.15 2.24 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 0.76 0.00 0.00 0.98 0.00 0.00 31 Y 7.67 4.57 0.00 2.97 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.79 0.00 1.74 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 33 F 8.78 4.41 0.00 3.25 3.05 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 34 K 9.03 4.28 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 35 L 8.11 4.70 0.00 1.69 1.73 0.98 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 36 I 7.40 4.70 1.74 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.41 0.82 0.00 0.00 37 P 0.00 4.79 0.00 2.35 2.25 0.00 3.62 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 2.02 1.95 0.00 38 A 7.76 5.28 1.08 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 0.00 0.00 39 V 8.86 5.10 2.17 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 0.86 0.00 0.00 1.04 0.00 0.00 40 V 9.07 4.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 41 V 9.19 4.90 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 0.81 0.00 0.00 0.98 0.00 0.00 42 D 8.91 5.43 0.00 2.19 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.61 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 0.89 0.00 0.00 0.96 0.00 0.00 44 P 0.00 4.52 0.00 2.32 2.01 0.00 3.64 0.00 0.00 3.95 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 45 A 8.90 3.97 1.25 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 46 N 8.17 4.42 0.00 2.85 2.97 0.00 0.00 5.87 7.26 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 47 A 8.21 4.60 1.32 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 0.00 0.00 0.00 48 V 7.76 3.75 2.20 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 1.08 0.00 0.00 1.04 0.00 0.00 49 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.10 4.10 0.00 2.05 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.53 7.81 51 L 8.03 4.06 0.00 1.96 1.83 0.98 0.34 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 52 K 8.29 3.92 0.00 1.89 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 53 K 7.29 4.53 0.00 1.84 1.82 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.39 7.81 54 M 7.81 4.40 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.81 0.00 55 P 0.00 4.37 0.00 2.24 2.04 0.00 3.66 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 2.12 2.11 0.00 56 G 8.97 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 57 V 7.40 3.92 2.24 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 0.81 0.00 0.00 1.08 0.00 0.00 58 E 8.93 4.45 0.00 1.88 1.94 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 2.26 2.39 0.00 59 K 7.48 4.43 0.00 1.77 1.51 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.39 7.81 60 V 8.29 4.69 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 0.91 0.00 0.00 0.92 0.00 0.00 61 E 9.21 4.58 0.00 1.99 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 2.17 2.37 0.00 62 F 8.25 5.03 0.00 2.83 2.78 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 0.00 0.00 0.00 63 D 8.41 4.57 0.00 2.83 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 64 H 8.54 5.10 0.00 3.17 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.63 4.11 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 66 A 8.40 4.74 1.25 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 67 V 7.88 4.48 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 0.77 0.00 0.00 0.93 0.00 0.00 68 L 8.55 3.95 0.00 1.60 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.41 4.27 0.00 1.61 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00