NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 3.9825 8.0544 120.3921 62.0843 32.8389 174.7924 10 N 4.0675 8.6360 124.1050 53.6623 38.9077 170.6427 11 V 3.7667 9.3676 120.3769 63.4488 32.6614 175.9475 12 Q 4.6030 8.5715 116.7490 55.3661 30.4926 176.1780 13 R 4.6134 8.0038 118.7943 53.4077 30.2517 174.4509 14 P 4.2094 0.0000 0.0000 65.4670 31.8538 177.8261 15 L 3.9392 8.0782 116.9392 57.3519 41.3358 179.0253 16 D 4.4027 7.8682 119.1090 57.5885 40.7612 178.5648 17 A 3.9220 8.0717 120.6974 55.0194 18.0820 179.7497 18 L 3.7091 7.8352 118.1570 57.6267 41.0719 179.5524 19 G 3.9407 7.9995 105.8409 47.9429 0.0000 174.9510 20 N 4.6259 7.5374 116.2159 54.7204 38.9550 176.4516 21 S 4.6295 7.9437 116.2141 57.0106 63.5408 173.8078 22 L 4.3105 7.0300 121.6351 56.4900 41.8469 176.5426 23 N 4.2666 9.6877 118.8635 53.9397 37.2950 173.7535 24 S 4.9566 7.9180 113.1039 55.3590 65.4124 171.6431 25 P 4.9586 0.0000 0.0000 63.3860 31.8666 175.6934 26 V 4.7648 9.5011 115.7418 59.9622 36.9581 173.9513 27 I 4.9305 9.1652 123.0985 59.7509 39.7810 174.8840 28 I 4.8167 9.2622 128.0769 59.3739 39.9508 174.3077 29 K 4.6525 8.5767 129.3875 54.8596 33.9955 175.4287 30 L 5.1409 8.8689 126.7424 52.3679 45.2275 175.9523 31 K 4.0117 8.7391 120.6516 57.5655 32.6320 177.6628 32 G 3.7604 8.6179 110.8144 45.6731 0.0000 172.5829 33 D 4.3731 8.0189 115.1206 54.8186 39.9860 173.2508 34 R 4.6418 7.3383 113.2765 54.5756 32.4722 175.2795 35 E 5.2872 8.3051 120.9241 54.9140 33.8639 174.0029 36 F 5.2416 9.1578 121.1240 56.1737 44.1064 173.7871 37 R 5.1544 9.2308 119.8157 54.3667 34.5519 175.2495 38 G 4.1859 7.8798 107.0838 46.7976 0.0000 171.0223 39 V 4.7999 7.5766 120.2053 60.7028 33.1868 175.3425 40 L 4.2757 8.5069 130.7636 55.8636 42.2151 177.2206 41 K 4.0692 8.6697 125.7699 57.0005 34.6527 176.5602 42 S 4.8562 7.8613 111.7931 58.0457 65.2961 175.5740 43 F 6.0424 8.3921 115.1399 56.3611 41.0185 172.4490 44 D 4.8405 8.4278 118.1270 50.9901 42.4611 175.5357 45 L 3.8422 8.7076 119.7000 58.9385 41.8369 177.6336 46 H 4.5858 8.3974 112.6393 55.7886 29.1160 175.4901 47 M 3.5041 8.5303 119.0576 56.2447 29.7831 175.8650 48 N 5.0484 8.3321 116.4899 53.3213 40.0778 174.4243 49 L 5.4284 9.2607 121.9875 52.9770 46.8448 175.6986 50 V 4.8220 8.6286 119.2177 61.5272 34.4543 174.0559 51 L 5.2225 8.8122 128.1484 53.2084 44.5617 175.3390 52 N 5.1352 8.8776 119.6044 51.8943 41.4257 174.4663 53 D 4.2468 8.6861 119.4607 55.2992 39.8808 173.5574 54 A 4.7155 7.8203 118.5533 52.0512 20.3960 177.4874 55 E 5.1300 8.8704 117.8132 55.0584 34.5751 174.3254 56 E 4.0794 9.0666 125.2418 55.1043 31.2816 174.9180 57 L 5.2351 7.9485 124.7680 53.2453 45.7549 176.2368 58 E 4.3492 8.7765 119.8747 56.4722 33.4224 175.3935 59 D 4.4907 9.9094 121.7080 54.9367 39.7438 174.2616 60 G 4.0074 8.5705 105.2346 44.5633 0.0000 173.4260 61 E 4.6516 7.9377 118.1068 53.6110 31.8695 175.7919 62 V 3.9983 8.3527 121.0489 64.2821 31.8691 175.5120 63 T 4.4831 8.1256 122.4291 63.8007 70.6182 174.5428 64 R 4.3720 7.3164 118.5616 55.7481 33.3725 172.9526 65 R 4.8556 8.7747 123.8308 54.8301 31.2896 175.9033 66 L 4.4129 8.8342 123.1509 53.3844 43.4755 179.3035 67 G 3.7296 8.1714 107.4437 46.1616 0.0000 173.2008 68 T 4.7175 8.5401 120.9581 63.5796 69.0636 174.6615 69 V 4.5335 8.7603 125.7239 59.7013 35.4509 174.2390 70 L 5.0446 8.5060 124.1684 53.6974 43.6619 175.2191 71 I 4.3554 8.6102 128.1389 59.4607 39.7421 175.6033 72 R 4.5113 8.4732 126.3251 55.5436 30.9761 177.4629 73 G 4.1211 9.4654 112.6743 47.5383 0.0000 174.8380 74 D 4.4566 8.2103 118.1470 57.0355 41.3019 177.0500 75 N 4.5714 8.0679 114.9938 54.5249 39.0607 175.2359 76 I 4.2367 7.7668 120.3023 61.4001 37.8556 175.4615 77 V 4.2948 8.8850 125.7514 64.5705 32.5815 175.1420 78 Y 4.9652 7.1044 115.7880 56.1574 41.3188 173.1208 79 I 5.0916 8.5038 120.2418 59.7395 40.3152 174.8265 80 S 4.4219 9.4628 122.3076 56.8793 64.6881 173.2140 81 R 4.4600 8.9312 125.5376 56.6828 32.4944 177.9043 82 G 4.2875 7.6057 109.8420 44.8516 0.0000 172.9960 83 K 4.6552 9.6032 132.8299 55.8982 33.8779 175.4143 84 L 3.9878 8.0834 123.8997 55.2099 41.3999 174.0299 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 9 V 8.05 3.98 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 0.95 0.00 0.00 0.92 0.00 0.00 10 N 8.64 4.07 0.00 2.85 2.71 0.00 0.00 7.10 6.83 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 11 V 9.37 3.77 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.57 4.60 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 13 R 8.00 4.61 0.00 1.81 1.98 0.00 3.14 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 14 P 0.00 4.21 0.00 2.15 2.08 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 2.11 2.17 0.00 15 L 8.08 3.94 0.00 1.76 1.89 1.08 1.09 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 16 D 7.87 4.40 0.00 2.99 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 17 A 8.07 3.92 1.34 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 0.00 0.00 18 L 7.84 3.71 0.00 0.64 0.13 0.58 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.00 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 20 N 7.54 4.63 0.00 2.97 2.88 0.00 0.00 6.93 7.45 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 21 S 7.94 4.63 0.00 3.86 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 0.00 22 L 7.03 4.31 0.00 1.73 1.68 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.69 4.27 0.00 2.76 2.91 0.00 0.00 6.69 7.45 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 24 S 7.92 4.96 0.00 3.87 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 25 P 0.00 4.96 0.00 2.13 2.06 0.00 3.77 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 2.00 2.01 0.00 26 V 9.50 4.76 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 0.75 0.00 0.00 0.98 0.00 0.00 27 I 9.17 4.93 1.98 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 1.27 0.74 0.98 0.00 0.00 28 I 9.26 4.82 1.90 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 1.15 1.11 0.85 0.00 0.00 29 K 8.58 4.65 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.01 1.22 7.81 30 L 8.87 5.14 0.00 1.63 1.54 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.74 4.01 0.00 1.59 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.60 7.81 32 G 8.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.37 0.00 2.78 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 34 R 7.34 4.64 0.00 2.00 1.92 0.00 3.14 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 35 E 8.31 5.29 0.00 1.94 1.63 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 0.00 2.24 2.45 0.00 36 F 9.16 5.24 0.00 2.95 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 37 R 9.23 5.15 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 7.88 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.80 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 1.03 0.00 0.00 0.95 0.00 0.00 40 L 8.51 4.28 0.00 1.87 1.74 0.96 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.67 4.07 0.00 1.88 1.83 0.00 1.84 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.71 7.81 42 S 7.86 4.86 0.00 3.76 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.39 6.04 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 44 D 8.43 4.84 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 3.84 0.00 1.58 1.68 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.40 4.59 0.00 3.30 3.33 0.00 5.95 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 47 M 8.53 3.50 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 48 N 8.33 5.05 0.00 2.98 2.73 0.00 0.00 6.81 6.77 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 49 L 9.26 5.43 0.00 1.49 1.56 0.90 0.74 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 50 V 8.63 4.82 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 1.07 0.00 0.00 0.93 0.00 0.00 51 L 8.81 5.22 0.00 1.65 1.56 0.95 0.43 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 52 N 8.88 5.14 0.00 2.72 2.71 0.00 0.00 6.61 7.64 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 53 D 8.69 4.25 0.00 2.79 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 54 A 7.82 4.72 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 5.13 0.00 1.90 1.85 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 2.24 2.27 0.00 56 E 9.07 4.08 0.00 1.50 1.55 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 0.00 1.91 1.52 0.00 57 L 7.95 5.24 0.00 1.38 1.43 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.78 4.35 0.00 1.93 1.75 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 2.18 2.15 0.00 59 D 9.91 4.49 0.00 2.78 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 60 G 8.57 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.94 4.65 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.17 0.00 62 V 8.35 4.00 2.05 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 0.81 0.00 0.00 0.93 0.00 0.00 63 T 8.13 4.48 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 1.15 0.00 0.00 64 R 7.32 4.37 0.00 1.80 1.65 0.00 3.15 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 65 R 8.77 4.86 0.00 1.72 1.84 0.00 3.22 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 66 L 8.83 4.41 0.00 1.60 1.75 1.24 0.78 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 67 G 8.17 3.73 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 0.00 0.00 0.00 68 T 8.54 4.72 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 69 V 8.76 4.53 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 0.75 0.00 0.00 0.89 0.00 0.00 70 L 8.51 5.04 0.00 1.62 1.57 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.61 4.36 1.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.28 0.72 0.00 0.00 72 R 8.47 4.51 0.00 1.83 1.82 0.00 3.12 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 73 G 9.47 4.12 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 0.00 0.00 0.00 74 D 8.21 4.46 0.00 2.64 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 75 N 8.07 4.57 0.00 2.77 2.80 0.00 0.00 6.91 6.95 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 76 I 7.77 4.24 1.99 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 1.11 0.41 0.95 0.00 0.00 77 V 8.89 4.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 78 Y 7.10 4.97 0.00 3.01 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 79 I 8.50 5.09 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.95 0.00 0.00 80 S 9.46 4.42 0.00 3.92 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 0.00 81 R 8.93 4.46 0.00 1.80 1.78 0.00 3.29 0.00 0.00 3.22 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 82 G 7.61 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 0.00 0.00 0.00 83 K 9.60 4.66 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 1.17 7.81 84 L 8.08 3.99 0.00 1.83 1.73 0.92 0.81 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