NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2425 8.2993 119.9999 56.0886 33.8294 175.3581 2 P 4.4433 0.0000 0.0000 61.7030 32.9889 170.2004 3 V 4.2830 7.7266 111.4829 59.5508 34.0731 177.6050 4 S 4.3516 8.2711 116.4665 57.9112 63.4739 173.1232 5 L 4.2296 8.1414 120.3693 54.5841 41.8631 176.7475 6 S 4.5542 8.3382 113.1179 58.6640 62.8870 172.2760 7 Y 4.9065 6.9830 116.5593 56.0221 40.2209 174.2473 8 R 4.7274 8.6130 120.0774 57.8872 37.7345 176.5681 9 C 4.5332 8.0497 113.3317 56.2367 40.9272 172.2929 10 P 4.3523 0.0000 0.0000 65.8668 31.2568 177.7008 11 C 4.7103 8.9534 116.1629 55.7536 41.4303 173.0718 12 R 4.3440 8.4321 119.8306 57.2515 33.6094 175.4448 13 F 5.0395 7.9624 114.4945 55.5339 41.0046 174.8186 14 F 4.9060 9.4118 123.3420 54.6193 41.0783 174.7455 15 E 4.5855 8.5629 123.2720 54.5920 29.9421 176.4018 16 S 4.2898 8.6799 118.9102 59.6229 62.9153 174.5865 17 H 4.2901 8.2294 114.7884 58.7918 28.2418 175.9550 18 V 3.8160 6.7049 118.3494 63.3158 32.1167 174.7575 19 A 4.4151 8.8528 125.0795 50.2180 22.1590 177.4810 20 R 2.5100 5.8400 121.5220 58.8475 30.1083 177.7786 21 A 3.9096 7.4736 119.6898 55.1305 18.5947 177.9566 22 N 4.5184 7.7350 110.6486 53.2041 38.0657 174.8521 23 V 3.9596 6.9459 119.9472 62.7621 32.3176 175.2720 24 K 4.1995 9.2197 130.0130 58.8374 32.6432 176.1700 25 H 4.8701 7.8753 114.9534 54.5662 33.3778 172.0428 26 L 5.0181 8.4126 120.2901 53.6919 43.7840 176.0736 27 K 4.8029 8.7365 119.7494 55.4553 37.0439 175.1598 28 I 4.9836 8.2724 122.1377 59.6910 41.3813 174.4218 29 L 4.6286 8.3432 125.3082 52.3604 43.8067 177.0750 30 N 4.8748 8.3235 126.0870 52.9692 38.4708 175.2955 31 T 4.0510 7.5250 115.1576 63.3827 69.7238 173.4457 32 P 4.4016 0.0000 0.0000 65.7052 31.9994 178.1433 33 N 4.1938 8.1945 116.2322 55.0883 38.9782 174.3853 34 C 5.0123 7.3531 113.3171 54.5325 43.7859 173.0570 35 A 4.1857 8.0514 122.8483 51.3685 19.9396 177.1841 36 L 4.1556 8.2914 117.4802 54.7789 40.6425 176.4461 37 Q 4.5945 8.1559 124.4962 54.2574 30.0197 175.4755 38 I 4.1129 8.5338 126.4487 61.3412 38.4907 176.4031 39 V 4.3436 8.9244 120.9363 60.3487 35.0029 174.0928 40 A 4.7738 8.9087 122.3090 51.7969 23.3919 175.1322 41 R 4.9542 8.5374 117.7586 55.0610 33.0652 175.0171 42 L 4.2754 9.3972 127.1483 54.7749 43.0920 176.1743 43 K 4.2777 9.3506 120.3582 57.5424 33.3691 178.0229 44 N 4.2637 8.0445 119.7186 56.0781 39.0632 175.7282 45 N 4.4572 8.1476 114.7565 53.5240 39.8455 173.4464 46 N 4.3570 7.5810 115.1620 51.1539 35.8014 172.9613 47 R 4.4063 7.0580 118.8407 55.7330 34.8282 172.7237 48 Q 4.8794 8.7055 122.1289 55.6710 30.4363 174.8884 49 V 4.5241 8.9430 118.3986 60.3188 37.2529 173.0333 50 C 4.8659 8.3902 118.1158 55.4358 41.5059 174.0314 51 I 4.3357 7.8673 125.0961 60.5996 37.9744 175.7563 52 D 4.7185 8.7258 124.8470 53.3365 41.8791 175.6539 53 P 4.2024 0.0000 0.0000 65.2245 31.7260 177.2209 54 K 4.1608 7.4701 115.9228 56.6507 32.2704 177.5839 55 L 4.1240 7.2725 120.5437 54.8012 43.2221 177.9308 56 K 4.0268 8.4807 121.3449 59.0891 32.4972 178.5892 57 W 4.5740 8.0776 116.3152 58.9602 28.5947 178.1645 58 I 3.5710 6.5219 119.6040 62.9849 36.4626 177.8750 59 Q 3.6446 7.6875 119.0548 59.0187 28.3785 178.3113 60 E 4.0453 8.0962 120.1905 58.9833 29.7473 178.2273 61 Y 4.1988 7.7128 119.7626 60.8355 39.0117 177.8963 62 L 3.4873 8.2177 121.7320 57.6887 41.8108 178.4967 63 E 3.9086 7.5404 118.9274 58.6721 29.6011 178.1225 64 K 4.1335 7.7209 118.7380 58.8634 32.4698 178.3187 65 A 4.1666 8.4147 121.0135 53.2968 18.5779 177.8977 66 L 4.3194 6.8270 112.7735 55.2944 43.6306 173.9570 67 N 4.5025 8.7363 119.5790 52.9960 37.4323 173.9868 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 K 8.30 4.24 0.00 1.90 1.90 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 2 P 0.00 4.44 0.00 2.30 2.14 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 3 V 7.73 4.28 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 0.91 0.00 0.00 0.98 0.00 0.00 4 S 8.27 4.35 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.14 4.23 0.00 1.63 1.70 0.92 0.82 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 6 S 8.34 4.55 0.00 3.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 6.98 4.91 0.00 3.25 2.93 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 0.00 0.00 0.00 8 R 8.61 4.73 0.00 1.73 1.91 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 9 C 8.05 4.53 0.00 3.09 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 10 P 0.00 4.35 0.00 2.19 2.20 0.00 3.96 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 11 C 8.95 4.71 0.00 3.28 3.15 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 0.00 0.00 0.00 0.00 12 R 8.43 4.34 0.00 1.32 1.00 0.00 3.22 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 13 F 7.96 5.04 0.00 3.07 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 14 F 9.41 4.91 0.00 2.96 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 15 E 8.56 4.59 0.00 2.16 2.14 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 1.88 2.21 0.00 16 S 8.68 4.29 0.00 3.92 3.99 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 17 H 8.23 4.29 0.00 3.30 3.52 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 6.70 3.82 2.29 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 0.86 0.00 0.00 1.01 0.00 0.00 19 A 8.85 4.42 1.11 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 0.00 0.00 20 R 5.84 2.51 0.00 0.72 1.51 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.35 0.00 21 A 7.47 3.91 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.73 4.52 0.00 2.84 3.00 0.00 0.00 5.78 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 23 V 6.95 3.96 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 0.74 0.00 0.00 0.60 0.00 0.00 24 K 9.22 4.20 0.00 1.74 1.86 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.40 7.81 25 H 7.88 4.87 0.00 3.09 3.11 0.00 5.65 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 26 L 8.41 5.02 0.00 1.41 1.53 0.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.74 4.80 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 28 I 8.27 4.98 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.99 0.00 0.00 29 L 8.34 4.63 0.00 1.60 1.58 0.94 0.52 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 30 N 8.32 4.87 0.00 2.67 2.77 0.00 0.00 7.24 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 31 T 7.53 4.05 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 32 P 0.00 4.40 0.00 2.21 2.29 0.00 3.70 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 2.06 1.94 0.00 33 N 8.19 4.19 0.00 2.69 2.89 0.00 0.00 6.73 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.35 5.01 0.00 2.86 2.97 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 35 A 8.05 4.19 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 36 L 8.29 4.16 0.00 1.64 1.68 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.16 4.59 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 38 I 8.53 4.11 2.00 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 1.41 0.90 1.14 0.00 0.00 39 V 8.92 4.34 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 0.70 0.00 0.00 0.96 0.00 0.00 40 A 8.91 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.95 0.00 1.95 1.77 0.00 3.18 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 42 L 9.40 4.28 0.00 1.61 1.58 0.98 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.35 4.28 0.00 1.85 1.61 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.49 7.81 44 N 8.04 4.26 0.00 2.73 2.88 0.00 0.00 6.73 7.96 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 45 N 8.15 4.46 0.00 2.67 2.84 0.00 0.00 7.01 7.80 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 46 N 7.58 4.36 0.00 2.90 2.83 0.00 0.00 6.84 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 47 R 7.06 4.41 0.00 1.73 1.78 0.00 3.10 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 48 Q 8.71 4.88 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 49 V 8.94 4.52 2.40 0.00 0.00 0.00 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 0.96 0.00 0.00 50 C 8.39 4.87 0.00 1.77 1.18 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 51 I 7.87 4.34 1.93 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.94 0.00 0.00 52 D 8.73 4.72 0.00 2.86 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.12 2.08 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 54 K 7.47 4.16 0.00 2.07 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.34 7.81 55 L 7.27 4.12 0.00 1.47 1.18 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.48 4.03 0.00 1.83 1.96 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 57 W 8.08 4.57 0.00 3.74 3.33 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 0.00 0.00 0.00 0.00 58 I 6.52 3.57 1.09 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 0.66 -0.36 0.76 0.00 0.00 59 Q 7.69 3.64 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 60 E 8.10 4.05 0.00 2.28 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 0.00 2.43 2.41 0.00 61 Y 7.71 4.20 0.00 3.06 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 62 L 8.22 3.49 0.00 1.61 1.44 0.76 0.51 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 63 E 7.54 3.91 0.00 2.10 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 0.00 2.29 2.28 0.00 64 K 7.72 4.13 0.00 1.87 2.00 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 65 A 8.41 4.17 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 66 L 6.83 4.32 0.00 1.66 1.57 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.74 4.50 0.00 2.73 2.82 0.00 0.00 6.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00