NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9685 8.3549 109.7366 45.4998 0.0000 174.1167 7 D 4.2882 8.7857 124.2377 55.5876 41.6820 175.0749 8 L 4.6797 7.5574 118.6208 53.1187 44.5390 174.6246 9 Q 5.1068 7.9291 116.8046 53.1012 31.9476 175.2954 10 C 4.3854 8.5984 115.1414 57.3911 40.6832 174.1013 11 L 4.0875 8.9142 125.1324 57.3958 42.1586 176.8494 12 C 4.5595 8.2487 115.5587 56.4327 41.0710 173.1533 13 V 3.9839 8.3773 123.7291 64.1545 32.1630 175.2963 14 K 4.5567 7.5621 115.5292 56.1144 35.1463 174.3203 15 T 4.7744 8.1588 108.8675 60.1609 71.1613 173.5177 16 T 4.6666 8.9537 120.2619 61.9401 70.5376 174.8267 17 S 4.6220 8.6164 117.6894 58.0959 64.9116 174.3822 18 Q 4.4764 7.8125 120.4031 54.0786 27.6770 174.5478 19 V 4.4338 7.5667 119.5442 60.2237 34.3797 174.2638 20 R 4.4406 8.3049 120.7919 54.4153 31.4774 175.6729 21 P 4.2574 0.0000 0.0000 65.8412 31.6226 178.5756 22 R 3.9465 8.1470 115.7300 59.6358 30.1090 177.2841 23 H 4.4319 8.5997 113.6818 56.8469 29.1495 174.9231 24 I 4.4641 7.4949 121.4609 61.1642 37.4219 175.4623 25 T 4.3831 8.8342 120.6994 63.4387 68.5026 174.6311 26 S 4.7144 7.7386 114.2710 56.7565 66.1474 172.5823 27 L 5.1071 8.4787 127.2235 53.2692 44.7614 174.7320 28 E 4.5368 9.3445 127.9885 54.5358 31.6984 174.5709 29 V 4.5690 8.4491 127.6880 61.6726 32.8680 174.9158 30 I 4.3490 8.5553 130.8888 59.1754 38.5717 175.6357 31 K 4.3716 8.7666 128.6959 56.4536 32.6952 176.2907 32 A 4.2437 8.7665 127.3680 52.0255 19.5831 177.8667 33 G 3.8758 8.7436 105.6256 45.7301 0.0000 171.6699 34 P 4.2196 0.0000 0.0000 65.9852 31.7402 177.4059 35 H 4.4170 8.1106 112.5038 57.9537 28.7993 175.8218 36 C 4.8403 7.3805 117.4309 55.2354 46.6976 174.0782 37 A 3.6382 8.6036 128.9015 53.5593 18.5352 177.2652 38 V 4.6153 7.1957 107.8128 58.4196 35.1910 174.0405 39 P 4.7323 0.0000 0.0000 62.8745 32.2661 175.7966 40 Q 4.5845 8.8725 120.2499 54.2159 32.8867 174.7997 41 L 4.8613 8.4016 122.1711 53.0410 44.1895 174.7294 42 I 4.6670 8.7227 125.2748 59.9974 38.5703 174.5579 43 A 5.1128 8.8298 130.1226 50.6571 21.2708 175.4819 44 T 4.9512 9.2629 119.6122 62.0567 71.0049 174.3635 45 L 5.0052 8.7804 125.8663 52.8432 44.0040 177.6429 46 K 3.9473 8.7645 121.0518 59.7682 32.0713 178.0939 47 N 4.5084 7.9768 113.4759 53.0039 37.8903 175.5826 48 G 4.0545 8.4232 107.2460 45.2787 0.0000 174.3357 49 R 4.1381 7.9660 120.1993 56.4762 31.3220 175.2949 50 K 5.3129 8.5492 123.1876 54.7422 35.6366 175.0538 51 I 4.7797 8.6416 115.7719 59.8934 41.9719 172.7317 52 C 5.5183 8.6728 118.1796 55.2262 43.4321 173.4592 53 L 5.0111 8.4392 122.1466 52.9056 42.3408 175.9169 54 D 4.4837 8.4833 121.3574 53.8449 42.0208 176.9595 55 L 3.7079 8.6223 127.1465 58.1811 42.0356 178.3643 56 Q 4.1294 8.0429 115.4396 58.8735 28.7835 177.7611 57 A 4.1562 7.3041 118.1546 52.2986 18.9786 176.2076 58 P 4.4207 0.0000 0.0000 63.7507 31.8222 177.8706 59 L 3.8926 8.0547 120.9588 58.8552 41.7112 178.3025 60 Y 4.2226 8.0946 116.8552 59.8919 37.7200 177.8574 61 K 3.5531 7.0981 119.9891 58.6102 31.8821 179.1194 62 K 4.0792 7.7584 118.2940 58.7933 32.2563 179.1009 63 I 3.7810 7.4574 120.4493 64.2996 37.0296 178.4850 64 I 3.7720 8.2067 121.2449 63.9398 36.6396 178.4158 65 K 3.8559 7.6278 119.8613 59.5239 31.9388 178.7784 66 K 3.8854 8.0157 118.6611 59.4523 32.0626 178.4818 67 L 4.1652 7.8887 118.5698 57.7172 41.8319 179.0597 68 L 4.2926 8.3023 116.8424 55.6731 42.7079 178.3222 69 E 4.2912 7.2100 119.7516 56.4305 27.9210 175.7164 70 S 4.0307 7.9017 116.1833 58.3654 63.4941 171.6094 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 6 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.29 0.00 2.75 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 8 L 7.56 4.68 0.00 1.73 1.58 0.91 0.83 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 9 Q 7.93 5.11 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 10 C 8.60 4.39 0.00 2.98 3.08 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 11 L 8.91 4.09 0.00 1.56 1.79 0.91 1.10 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 12 C 8.25 4.56 0.00 2.99 2.99 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 0.00 0.00 0.00 13 V 8.38 3.98 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 0.83 0.00 0.00 0.93 0.00 0.00 14 K 7.56 4.56 0.00 1.85 1.73 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.42 7.81 15 T 8.16 4.77 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 T 8.95 4.67 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 1.24 0.00 0.00 17 S 8.62 4.62 0.00 3.95 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 18 Q 7.81 4.48 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 19 V 7.57 4.43 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 0.68 0.00 0.00 0.93 0.00 0.00 20 R 8.30 4.44 0.00 2.04 2.00 0.00 3.35 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 21 P 0.00 4.26 0.00 2.18 2.13 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 22 R 8.15 3.95 0.00 1.78 1.95 0.00 3.28 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 1.73 0.00 23 H 8.60 4.43 0.00 3.33 3.36 0.00 5.80 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 24 I 7.49 4.46 1.98 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 1.21 0.67 1.00 0.00 0.00 25 T 8.83 4.38 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 1.32 0.00 0.00 26 S 7.74 4.71 0.00 3.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 5.11 0.00 1.65 1.51 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.34 4.54 0.00 2.01 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 2.19 2.21 0.00 29 V 8.45 4.57 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 0.83 0.00 0.00 0.94 0.00 0.00 30 I 8.56 4.35 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.86 0.00 0.00 31 K 8.77 4.37 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 32 A 8.77 4.24 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 33 G 8.74 3.88 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 0.00 0.00 0.00 34 P 0.00 4.22 0.00 2.06 2.14 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 35 H 8.11 4.42 0.00 3.37 3.58 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.38 4.84 0.00 3.00 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 37 A 8.60 3.64 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 38 V 7.20 4.62 2.06 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 0.74 0.00 0.00 0.91 0.00 0.00 39 P 0.00 4.73 0.00 1.87 1.94 0.00 3.58 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 1.99 2.09 0.00 40 Q 8.87 4.58 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 41 L 8.40 4.86 0.00 1.48 1.50 0.72 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.72 4.67 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 1.14 0.83 0.91 0.00 0.00 43 A 8.83 5.11 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 44 T 9.26 4.95 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 1.22 0.00 0.00 45 L 8.78 5.01 0.00 1.57 1.60 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.76 3.95 0.00 1.75 1.92 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.63 7.81 47 N 7.98 4.51 0.00 2.83 2.95 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.42 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 49 R 7.97 4.14 0.00 1.91 1.81 0.00 3.12 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 50 K 8.55 5.31 0.00 1.63 1.65 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.56 7.81 51 I 8.64 4.78 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 1.38 0.69 0.91 0.00 0.00 52 C 8.67 5.52 0.00 3.04 2.96 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 0.00 0.00 0.00 53 L 8.44 5.01 0.00 1.48 1.62 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.48 4.48 0.00 2.72 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 55 L 8.62 3.71 0.00 1.64 1.62 0.87 0.78 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 56 Q 8.04 4.13 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 57 A 7.30 4.16 1.38 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 58 P 0.00 4.42 0.00 2.21 2.27 0.00 3.76 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 2.02 2.00 0.00 59 L 8.05 3.89 0.00 1.77 1.83 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.09 4.22 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.10 3.55 0.00 1.59 1.60 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.52 7.81 62 K 7.76 4.08 0.00 1.93 1.82 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 63 I 7.46 3.78 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.95 0.00 0.00 64 I 8.21 3.77 1.87 0.00 0.00 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 1.51 0.95 0.94 0.00 0.00 65 K 7.63 3.86 0.00 1.94 1.99 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 66 K 8.02 3.89 0.00 1.76 1.97 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 67 L 7.89 4.17 0.00 1.85 1.72 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.30 4.29 0.00 1.61 1.73 0.93 0.93 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 69 E 7.21 4.29 0.00 1.90 1.88 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 2.25 2.56 0.00 70 S 7.90 4.03 0.00 3.90 4.04 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